A0A3Q0KRR8_SCHMA Loading...

SH2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KRR8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,636 aa.

						>A0A3Q0KRR8_SCHMA|A0A3Q0KRR8
MLSKSPTFHVSTRHIYEHELKHLPYHQNHHPSQQQSETDELTPNLNQYTKHDQRQVLNSNMFRSEIMFNSKKTRSQHTDVSTITYNNVSSISPTNSCFTISSNDNHIAYELNDIIDNDEEVFEDNDSDNDIDDDGFYNKDEIDELFFFIPTVSSNEVKYGNQLKQNQSIPFILNTNDIHKSYDDSFNLQISPKLPTLKERITHTQNIWCLPNLSRLESEKLLEFAEIGNFIVRVNQQNSSMVLTRVCPPTTVLRSPNKTNCYLHANHKDYIENNHNKNQHHNVYLPIKHNLIEILPHDGYCLTGDKKMRLIFKSLIHLLEFYLLVQVSNRASFLRLPSAICQAKTMKELDQLNKQGIKFWKSNNNWNVDSKPSLKSPLFPNSKLFTSESSMKSSILRNQQDSNMSVNQISQQQTREYPRWRQMNVIGNKKDHKLTTSTTTPRIRPRASSVNDRSIQHHYETKLKHKEIEKPININNNNNNNNNKTKHADTLFKTMKQRLDFRNNCLHKTIDNNGKVDRLPLEKHSCQQITNILSPSLSSSSSSVPIITTTIQKISPLNKTNKINESIECSSVRLNQNRRHQNGVYEGDENEFWDALLQAKSSNPVQTVETQAWRSWDPNQNTKHPMNINNTLTGVNTSVIITTTTTATNTDTNNQSQQGKLFTSTFHSNSTSCEPTKTSTRNKANTEYHDLNFPLEIVNSQDKKRQLKHQISLPLDKSHSTSDAYDKQSVFKTHQTTIQPVYMNLVHDSVANSTTNTMKSNPIVHTSDTSHTTKKCVGSICDDSKLPNYFTRIVDNNHHNDTVNYQDTATNPIYSSGFLNNELRVDTSFNYYDSNNNRDDNSQFNGKETVNIDKTLSDYDALIDQEIGGYKNTRYSLDLNDLAAPQTVGHVFVMKATAYPIDEYNFSSNPPVDSLNNNFSLISLKCSTTTSTTTTVSGACCAKLINHDQFLKKDTSYQDNHISETITTTSTINDACKHKSNNNTSKPMHTINKPKLRRAYSLKKQSSSTSKRTQPHEDLLLFNGNWNENNNNTNNSLDNHGNNDSYNRRHGLLFLGESSTWLRNNILPTDKIEKITRMYGENEADTTHKQKAVKTISDTNHRPTHSSSSPLSSKVVIHKLDEVKNDKSTYKPVTNVIYSKTINSQSNYHSDLETSDGTDTFVNHYNNSKKYGIPHEDHAICFETDMGLDKHYFQDIEQNSKLNKLTTSTAITMTTMTTTAPILETVTKPIISECPTLTLLSAPRISQPHKVYQSEQDIWDKSQNSRQQQQNNNQHPYRHQISSDSQQKCLKLESNTSSPGASSRASTVFCPPWDTAPIGPYIADLLKLNPPFSSTLDDLQQSPNSYQSNHHNHPHYNCNNLNNSKIHSQSRNTHYQRKDSARNRSKTLSSVEHQLLIGNLLTDCNNNYCSSSTVAATATTTDNSVTSPSSLLNSNNKIDMSNLFNLWEQQQQNQSNNGKLKEFSSTSLGNMNEFFKGLQNDFLTETTTTVLEASTTTPTMTAAATTKSLIMKDDSEKLSPPLPVRSKRGLSDPNSFVNVSRNNLLDYKLHSFIDFTDDISPYAVTACHPLNCNDNNNNNASTDLLQAARDCNNSAQDCSCMTLSELQTSSSHITRPLNIRHNDTNYNIHSKLRDDNNNGNKNEDDRSNMNINATTNTTSNGATIDNHNTNHSVTNNADSTTIEELIPYDYSLSNKSVPLDFSQNPFNSSLDNSTSHGKIWPDNYVYAQVLPKHLRDQAQFTDINSFDHTITFQSDPFNDMQQLEFNNLKTFEHKSLNKKDELTDKDSLTQQCIAPLSIAESLQSSSSTNSLASSFDSKTSLSSWNSSESYSQIPSKSEQCHVPLNSNMNNKLIHSLYINQSKFEKASLLSQEQLQYSNNLDKTNWSNDLPQKSKRVGRHIKKFFHRLMTNPKSQIAEQINLFLECTKASSDRGPYRTMQSIRQFISGMTNYLLKNPYLGLPKAVEREKKELNEFGYVNVGFHLESALQRYILKPLHLHVIKQLEQEQMKNTDLGNLQMKVRKLCDPEIRASDLGIQAPIAPPKESLIQYVVNVYSHLANTYSVQRKINYLVSIFNYIRKSIYNLKSDQELDANSLSTEDLHAYYAWVFARSGLLLTSLNPTNNHDIRLRTTSLTNNSNNANKSIICPVALQADYLDGVLNTPQLNDQATGLNDLFGSLYWIWNDKNALYQSLESSPLVHQKLLNMEQPNTSSYSINKQESQLTTQHESLHNMINSFDSGPSKFIPYQHKHDHSTSVENKNSSNSLFRLTTEFSRRRIIPPRRRKTVTGVNLPKTPNMEHSNEIKSSPTKIQHNVKHLTHDSSMNIRQFSNLSKPQSISHLTLNEDHFCPVPLNQSNNNNNTLSRWRPWIAQSNLLTHSTSTCPLPVPSSLSSTTNLQMFSSSPVHANTVNCLQVLVMNEETNQLQSLNYPIRPNMTARELNNLIAFQMRTFDSKDFGLFVYINGTEIQLEDELRIAEFTSLNSDVLYSAHILPTTTTTMATPSRSQTGTPISPKDHEKFPFKSHISISSHSDSTTSSSSEFRSRTVSHRSGKSNRNRAAWWTMCKSNGQSKHQLVVPVQDSAFKNTSEYHENSGLHKPVLVYKRKSGYFALSDRLLGSGLKFIQQQNLELSSPEQS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.8	Very low	26.2	Very low	111 Å²	111	98.7 Å²	98.7	55%	0.547	53%	0.533	S	S	.	.				0	137.3	0	-78.5	169.9	53.3	0	0	109.3	E1083 A1084 D1085	M1-E1083 WeakPolarHBondContact CA-OE2 2.92Å; M1-E1083 PolarHBondContact N-OE2 3.41Å; M1-E1083 WeakPolarHBondContact O-CG 2.13Å; M1-A1084 PolarHBondContact N-O 3.35Å; M1-D1085 HydrophobicContact CB-CB 4.34Å; M1-D1085 HydrophobicContact CE-CB 4.34Å; M1-D1085 HydrophobicContact SD-CB 4.23Å
2	L	27.2	Very low	26.1	Very low	130 Å²	130	97.8 Å²	97.8	68%	0.681	53%	0.533	S	S	*	.			trans	38.9	110.3	138.9	-57.1	172	0	0	0	115.6	E1083	L2-E1083 PolarHBondContact N-OE2 3.09Å
3	S	25.4	Very low	26.1	Very low	42 Å²	42	104.3 Å²	104.3	29%	0.294	55%	0.545	S	S	.	.				53.1	125.8	69.2	102.1	0	0	0	0	116.5	E696	S3-E696 WeakPolarHBondContact CA-OE1 3.27Å; S3-E696 PolarHBondContact N-OE1 3.09Å
4	K	29.7	Very low	26.5	Very low	157 Å²	157	107 Å²	107	68%	0.683	55%	0.553	S	S	*	*			trans	78	149.2	152.6	-65	164.9	-173.3	170.5	0	117.4	L695	K4-L695 HydrophobicContact CG-CD1 4.26Å
5	S	21.9	Very low	26.7	Very low	41 Å²	41	107.7 Å²	107.7	29%	0.287	56%	0.557	S	S	.	*			cis	84.9	72.3	10.7	-154.5	0	0	0	0	118.1	N692	S5-N692 WeakPolarHBondContact CA-OD1 3.47Å; S5-N692 VanDerWaalsContact CB-OD1 3.3Å; S5-N692 WeakPolarHBondContact CB-OD1 3.23Å; S5-N692 PolarHBondContact OG-ND2 3.35Å; S5-N692 PolarHBondContact OG-OD1 3.27Å
6	P	29.3	Very low	26.8	Very low	64 Å²	64	111.6 Å²	111.6	42%	0.416	56%	0.564	S	S	.	*			trans	-130.7	134.9	141.7	34.7	-20.5	0	0	0	114	L691 N692	P6-L691 VanDerWaalsContact O-CA 3.24Å; P6-L691 WeakPolarHBondContact O-CA 3.27Å; P6-L691 PolarHBondContact O-N 3.1Å; P6-N692 WeakPolarHBondContact O-CB 3.29Å
7	T	23.6	Very low	26.8	Very low	83 Å²	83	112.2 Å²	112.2	51%	0.509	56%	0.564	S	S	.	*			trans	-66.2	-179.2	168.4	-50.7	0	0	0	0	110.9	N692	T7-N692 PolarHBondContact N-ND2 3.38Å; T7-N692 PolarHBondContact OG1-ND2 3.05Å
8	F	25.8	Very low	26.7	Very low	139 Å²	139	112.6 Å²	112.6	61%	0.61	56%	0.563	S	S	*	*			trans	96.4	146.1	171.2	-60.8	-91.6	0	0	0	114.2	D690	F8-D690 VanDerWaalsContact O-CG 3.23Å
9	H	22.9	Very low	27	Very low	128 Å²	128	115.2 Å²	115.2	59%	0.593	57%	0.573	S	S	*	*			cis	89.8	114	27.8	-102.4	-88.9	0	0	0	115.5
10	V	24.4	Very low	27	Very low	95 Å²	95	114.5 Å²	114.5	58%	0.576	57%	0.571	S	S	*	*			trans	57.1	102.8	135.5	173.3	0	0	0	0	115.5	T12	V10-T12 HydrophobicContact CB-CG2 4.14Å; V10-T12 HydrophobicContact CG1-CG2 3.81Å; V10-T12 HydrophobicContact CG2-CG2 3.83Å
11	S	24.6	Very low	27.1	Very low	96 Å²	96	117.3 Å²	117.3	67%	0.671	58%	0.58	S	S	*	*				-142.8	132.2	68.6	-72.9	0	0	0	0	112.6
12	T	26	Very low	26.9	Very low	87 Å²	87	120.6 Å²	120.6	53%	0.534	59%	0.594	S	S	.	*			cis	64.2	165	49.8	82.2	0	0	0	0	113.9	V10	V10-T12 HydrophobicContact CB-CG2 4.14Å; V10-T12 HydrophobicContact CG1-CG2 3.81Å; V10-T12 HydrophobicContact CG2-CG2 3.83Å
13	R	26.1	Very low	26.7	Very low	183 Å²	183	120.9 Å²	120.9	69%	0.691	60%	0.595	S	S	*	*			trans	74	142	162.6	-73.4	164.1	179.1	-140.6	-0.3	114.1
14	H	30.6	Very low	27.5	Very low	142 Å²	142	122.7 Å²	122.7	66%	0.657	61%	0.606	S	S	*	*			cis	-143.2	162.6	13.5	-87.3	-56.6	0	0	0	108.3
15	I	29.7	Very low	27.2	Very low	118 Å²	118	123 Å²	123	61%	0.605	60%	0.604	S	S	*	*			cis	-155.5	144.4	-10	-118.6	157.5	0	0	0	102.9
16	Y	28.7	Very low	27.3	Very low	170 Å²	170	126.4 Å²	126.4	67%	0.667	62%	0.615	S	S	*	*				54.1	163.2	75.5	-80.6	-38.3	0	0	0	111.4
17	E	26.5	Very low	27.2	Very low	121 Å²	121	128.6 Å²	128.6	57%	0.565	62%	0.62	S	S	*	*			cis	-160.7	179.8	-0.8	-120.8	155.9	179.5	0	0	105.8
18	H	26	Very low	27.2	Very low	119 Å²	119	130.9 Å²	130.9	55%	0.551	63%	0.629	S	S	*	*			cis	-155.8	-176.2	14.9	-145.1	-70.8	0	0	0	111
19	E	30.8	Very low	27.2	Very low	163 Å²	163	133.2 Å²	133.2	76%	0.762	64%	0.641	S	S	*	*			trans	91.2	83.6	159.5	-50.3	-107.2	106.5	0	0	114.3
20	L	27.6	Very low	27.3	Very low	101 Å²	101	135 Å²	135	53%	0.529	65%	0.649	S	S	.	*				78.2	100.8	69.9	-63.2	171.1	0	0	0	112.3
21	K	28.8	Very low	27.7	Very low	173 Å²	173	135 Å²	135	75%	0.752	65%	0.652	S	S	*	*				81.4	120.4	75.4	-82	-173	-159.1	160.4	0	113.9
22	H	29.2	Very low	27.6	Very low	181 Å²	181	134.9 Å²	134.9	84%	0.838	65%	0.651	S	S	*	*			trans	-157.4	179.3	132.9	-114.1	-84.6	0	0	0	110.8
23	L	24.2	Very low	27.6	Very low	135 Å²	135	138.5 Å²	138.5	71%	0.707	66%	0.662	S	S	*	*			trans	-98.5	-176.6	-177.1	-76.8	80.4	0	0	0	110.3
24	P	40.5	Very low	27.5	Very low	80 Å²	80	135.8 Å²	135.8	52%	0.519	66%	0.657	S	S	.	*				-133.2	-127.3	-51.6	39.8	-20.6	0	0	0	110.9	S2636	P24-S2636 WeakPolarHBondContact CD-O 3.27Å
25	Y	23.2	Very low	27.2	Very low	163 Å²	163	136.1 Å²	136.1	64%	0.639	66%	0.659	S	S	*	*			trans	78.6	147	160.7	-87.2	-64	0	0	0	123.9	S2636	Y25-S2636 WeakPolarHBondContact CD2-O 3.19Å; Y25-S2636 WeakPolarHBondContact CD2-OXT 3.21Å
26	H	25.3	Very low	27.1	Very low	113 Å²	113	134.5 Å²	134.5	52%	0.523	66%	0.658	S	S	.	*			trans	67.1	153.9	155.4	-88.6	-75.2	0	0	0	124.3	P2633	H26-P2633 WeakPolarHBondContact NE2-CG 3.3Å
27	Q	26.1	Very low	27	Very low	111 Å²	111	134.2 Å²	134.2	52%	0.519	66%	0.662	S	S	.	*			trans	-81.1	167.4	-179.9	-59.1	154	-15	0	0	110.9	E2629	Q27-E2629 PolarHBondContact NE2-OE1 3.11Å
28	N	24.2	Very low	27.2	Very low	130 Å²	130	133.7 Å²	133.7	70%	0.695	67%	0.667	S	S	*	*			trans	53.4	107.3	154.1	-54.4	-24.5	0	0	0	116.8
29	H	25.7	Very low	27.5	Very low	188 Å²	188	134 Å²	134	87%	0.87	67%	0.673	S	S	*	*				-165.7	140.2	95.1	-113.4	-85.2	0	0	0	114.7
30	H	25.1	Very low	27.3	Very low	165 Å²	165	133.6 Å²	133.6	76%	0.764	67%	0.671	S	S	*	*			trans	-69.6	163.7	148.6	-106.4	-69.7	0	0	0	109.1
31	P	33	Very low	27.3	Very low	96 Å²	96	134.5 Å²	134.5	62%	0.623	68%	0.676	S	S	*	*			cis	-142.7	-178.8	-0	35.2	-14	0	0	0	115.9
32	S	23.5	Very low	27.1	Very low	94 Å²	94	131.8 Å²	131.8	66%	0.657	67%	0.674	S	S	*	*			trans	67.4	168.5	138.7	66.4	0	0	0	0	120.5
33	Q	24.5	Very low	27.4	Very low	163 Å²	163	128.1 Å²	128.1	76%	0.762	67%	0.666	S	S	*	*			trans	69.8	133.9	172.9	-62.1	-173.4	-34.6	0	0	115
34	Q	24.2	Very low	27.5	Very low	126 Å²	126	126 Å²	126	59%	0.589	66%	0.656	S	S	*	*			cis	-146.1	170.8	-11.9	-126.8	157.8	-45.4	0	0	109.2
35	Q	25.7	Very low	26.8	Very low	149 Å²	149	127.1 Å²	127.1	70%	0.696	66%	0.657	S	S	*	*				35.2	142.4	107.9	-62.6	170.3	-32.1	0	0	115.4
36	S	25.6	Very low	27.1	Very low	83 Å²	83	123.6 Å²	123.6	58%	0.58	65%	0.649	S	S	*	*			cis	-145.5	152	28.7	-40.6	0	0	0	0	113.5
37	E	28.2	Very low	27.3	Very low	164 Å²	164	124 Å²	124	77%	0.766	65%	0.651	S	S	*	*				80.2	149.8	112.2	-78.9	153.6	-156.2	0	0	113.4
38	T	29.5	Very low	27.3	Very low	110 Å²	110	128.7 Å²	128.7	68%	0.675	67%	0.666	S	S	*	*			cis	-147.8	166.9	1	4.1	0	0	0	0	106.4
39	D	32.6	Very low	27.5	Very low	125 Å²	125	127.5 Å²	127.5	67%	0.668	66%	0.663	S	S	*	*			cis	-146	149.4	14	-91.6	-49.4	0	0	0	107.5
40	E	27.4	Very low	27.7	Very low	155 Å²	155	127.7 Å²	127.7	72%	0.724	66%	0.661	S	S	*	*				71.6	138.2	62.3	-62.5	-135.7	136.9	0	0	114.6
41	L	26.1	Very low	27.8	Very low	120 Å²	120	127.4 Å²	127.4	63%	0.628	66%	0.66	S	S	*	*			cis	-162.8	132.1	-7.9	-100.7	171	0	0	0	111.4
42	T	24.7	Very low	27.5	Very low	116 Å²	116	128.1 Å²	128.1	71%	0.712	66%	0.659	S	S	*	*				37.8	-165.2	126	74	0	0	0	0	122.8
43	P	35.7	Very low	27.6	Very low	104 Å²	104	127.8 Å²	127.8	68%	0.675	65%	0.647	S	S	*	*			cis	-141.9	176	-13.9	36.2	-14.5	0	0	0	119.7
44	N	26.2	Very low	27.6	Very low	91 Å²	91	130.1 Å²	130.1	49%	0.487	65%	0.649	S	S	.	*			trans	62.2	175.8	153.3	-70.7	-6.5	0	0	0	121.1	Y1724 V1725 Y1726	N44-Y1724 PolarHBondContact ND2-O 3.13Å; N44-Y1724 VanDerWaalsContact ND2-O 3.11Å; N44-V1725 WeakPolarHBondContact OD1-CA 3.18Å; N44-Y1726 PolarHBondContact OD1-N 3.15Å
45	L	26.2	Very low	27.6	Very low	103 Å²	103	131 Å²	131	54%	0.539	65%	0.653	S	S	.	*			cis	-154.4	124.8	15	-177.6	65.6	0	0	0	114.2	Y1724 Y1726	L45-Y1724 VanDerWaalsContact CD1-CB 3.44Å; L45-Y1724 HydrophobicContact CD1-CG 4.04Å; L45-Y1726 VanDerWaalsContact CA-CB 3.45Å; L45-Y1726 WeakPolarHBondContact O-CD2 2.11Å
46	N	29.7	Very low	27.6	Very low	89 Å²	89	129.6 Å²	129.6	48%	0.476	65%	0.654	S	S	.	*	B	Isolated β-bridge	trans	88.1	0	-169.7	-82.6	-50.3	0	0	0	131.6	V1725 Y1726 A1727	N46-V1725 PolarHBondContact N-O 2.92Å; N46-V1725 VanDerWaalsContact N-O 3.13Å; N46-Y1726 HydrophobicContact CB-CD2 3.39Å; N46-Y1726 HydrophobicContact CB-CE2 3.51Å; N46-Y1726 HydrophobicContact CB-CG 4.11Å; N46-Y1726 WeakPolarHBondContact O-CD1 3.28Å; N46-Y1726 WeakPolarHBondContact O-CD2 3.45Å; N46-Y1726 WeakPolarHBondContact O-CE1 3.36Å; N46-Y1726 WeakPolarHBondContact O-CE2 3.42Å; N46-Y1726 PolarHBondContact O-OH 2.72Å; N46-A1727 PolarHBondContact O-N 3.33Å
47	Q	28.8	Very low	27.5	Very low	121 Å²	121	132.4 Å²	132.4	57%	0.565	66%	0.662	S	S	*	*				0	142.4	0	-151.9	-169.9	120.8	0	0	122.7	Y1726	Q47-Y1726 VanDerWaalsContact CA-OH 3.3Å; Q47-Y1726 WeakPolarHBondContact CA-OH 3.23Å; Q47-Y1726 HydrophobicContact CB-CD1 3.92Å; Q47-Y1726 HydrophobicContact CB-CE1 3.35Å; Q47-Y1726 HydrophobicContact CG-CE1 3.88Å; Q47-Y1726 PolarHBondContact N-OH 3Å
48	Y	27.3	Very low	27.3	Very low	211 Å²	211	131 Å²	131	83%	0.827	66%	0.66	S	S	*	*			trans	-168.7	-176.1	141.1	-112.1	-75.4	0	0	0	113.8
49	T	28	Very low	27	Very low	105 Å²	105	130.3 Å²	130.3	64%	0.644	66%	0.659	S	S	*	*			trans	-105.7	163.4	-149.4	55.6	0	0	0	0	121.6
50	K	29.1	Very low	26.6	Very low	191 Å²	191	131.7 Å²	131.7	83%	0.83	67%	0.667	S	S	*	*			trans	95.4	112.8	139.8	-90.5	177.9	178.4	-177.9	0	124.7
51	H	26.8	Very low	26.5	Very low	160 Å²	160	131.3 Å²	131.3	74%	0.741	67%	0.667	S	S	*	*				62.2	138.3	126.9	-94.8	-95.4	0	0	0	126.9
52	D	28.1	Very low	26.4	Very low	111 Å²	111	134.2 Å²	134.2	59%	0.594	68%	0.675	S	S	*	*			trans	75.6	98.3	145.3	-61.9	-25.1	0	0	0	126.3
53	Q	25.3	Very low	26.4	Very low	86 Å²	86	137.9 Å²	137.9	40%	0.402	68%	0.675	S	S	.	*				48.3	124.6	112	-63.6	178.1	18	0	0	121.9	S81 T82	Q53-S81 PolarHBondContact NE2-OG 3.48Å; Q53-T82 VanDerWaalsContact CD-OG1 3.31Å; Q53-T82 PolarHBondContact NE2-OG1 2.83Å; Q53-T82 VanDerWaalsContact OE1-N 3.08Å; Q53-T82 PolarHBondContact OE1-OG1 3.3Å
54	R	24.5	Very low	25.9	Very low	213 Å²	213	138.6 Å²	138.6	80%	0.804	68%	0.683	S	S	*	*				-168.7	136.9	124.8	-107.3	178.8	-176.3	-111	1.5	115
55	Q	24.6	Very low	25.7	Very low	144 Å²	144	140.2 Å²	140.2	67%	0.673	69%	0.687	S	S	*	*			trans	69.5	118.2	139.1	-72.4	178	-59.3	0	0	124.2
56	V	24.1	Very low	25.6	Very low	119 Å²	119	142 Å²	142	72%	0.721	70%	0.696	S	S	*	*				89.7	139.6	117.9	171.9	0	0	0	0	122.1
57	L	24.6	Very low	25.2	Very low	142 Å²	142	144.1 Å²	144.1	74%	0.743	71%	0.705	S	S	*	*			trans	81.5	122.8	162.1	-80.9	163.7	0	0	0	123
58	N	24.1	Very low	24.8	Very low	135 Å²	135	146.2 Å²	146.2	72%	0.722	71%	0.712	S	S	*	*			trans	49.6	117.3	136.9	-68.3	9	0	0	0	125.4
59	S	23.3	Very low	24.6	Very low	96 Å²	96	143.4 Å²	143.4	67%	0.671	71%	0.711	S	S	*	*				58.6	108.8	114.1	-49.1	0	0	0	0	123.7
60	N	24.6	Very low	24.4	Very low	153 Å²	153	142.5 Å²	142.5	82%	0.818	71%	0.71	S	S	*	*				64.7	133.5	127.5	-66.8	-7.6	0	0	0	124.6
61	M	23.7	Very low	24.1	Very low	148 Å²	148	142.8 Å²	142.8	73%	0.729	71%	0.711	S	S	*	*				110.4	154.5	127.5	-114.4	174.9	64.8	0	0	121.8
62	F	26	Very low	24	Very low	181 Å²	181	144.2 Å²	144.2	79%	0.794	72%	0.715	S	S	*	*			trans	76.7	135.3	-176.1	-59.3	-77.5	0	0	0	117.7
63	R	23.3	Very low	23.8	Very low	192 Å²	192	144.9 Å²	144.9	73%	0.725	72%	0.723	S	S	*	*			cis	157.5	129.1	-34.8	171.7	177	-177	-173.2	3.5	107.6	E65	R63-E65 WeakPolarHBondContact CG-OE1 2.12Å; R63-E65 IonicContact CZ-OE2 3.04Å; R63-E65 IonicContact NE-OE1 3.25Å; R63-E65 PolarHBondContact NE-OE1 3.05Å; R63-E65 IonicContact NE-OE2 3.89Å; R63-E65 PolarHBondContact NE-OE2 3.39Å; R63-E65 VanDerWaalsContact NE-OE2 3.11Å; R63-E65 IonicContact NH2-OE2 3.66Å; R63-E65 PolarHBondContact NH2-OE2 3.42Å
64	S	24.7	Very low	23.7	Very low	119 Å²	119	151.7 Å²	151.7	83%	0.832	75%	0.745	S	S	*	*			trans	-172.3	146.3	158.8	-80.7	0	0	0	0	111
65	E	23.2	Very low	23.6	Very low	125 Å²	125	145.5 Å²	145.5	58%	0.584	73%	0.734	S	S	*	*			trans	-133.5	165.1	-175.1	-49.9	93.1	-96.1	0	0	109.8	R63	R63-E65 WeakPolarHBondContact CG-OE1 2.12Å; R63-E65 IonicContact CZ-OE2 3.04Å; R63-E65 IonicContact NE-OE1 3.25Å; R63-E65 PolarHBondContact NE-OE1 3.05Å; R63-E65 IonicContact NE-OE2 3.89Å; R63-E65 PolarHBondContact NE-OE2 3.39Å; R63-E65 VanDerWaalsContact NE-OE2 3.11Å; R63-E65 IonicContact NH2-OE2 3.66Å; R63-E65 PolarHBondContact NH2-OE2 3.42Å
66	I	23	Very low	23.7	Very low	141 Å²	141	146.5 Å²	146.5	72%	0.723	74%	0.739	S	S	*	*			cis	-159.2	167.7	11	-155.2	173.5	0	0	0	111.1
67	M	21.3	Very low	23.9	Very low	133 Å²	133	148.4 Å²	148.4	66%	0.655	74%	0.74	S	S	*	*			trans	66.6	150.7	164.4	-70.7	178.2	-176.8	0	0	118.6
68	F	20.8	Very low	24	Very low	166 Å²	166	146.5 Å²	146.5	73%	0.728	73%	0.734	S	S	*	*			cis	-156.9	117.5	-9.4	-125.1	-51.4	0	0	0	109.1
69	N	23.7	Very low	24.1	Very low	151 Å²	151	146.7 Å²	146.7	81%	0.807	74%	0.735	S	S	*	*			trans	174.1	145.3	135.6	-103.7	-55.3	0	0	0	117.8
70	S	22.6	Very low	24.5	Very low	87 Å²	87	147.6 Å²	147.6	61%	0.608	74%	0.737	S	S	*	*			trans	31.4	118.3	150	69.2	0	0	0	0	124.6
71	K	24	Very low	24.7	Very low	196 Å²	196	143.6 Å²	143.6	85%	0.852	72%	0.721	S	S	*	*				69.9	125	126.2	-65.4	174	-179.7	169	0	122
72	K	23.5	Very low	24.9	Very low	191 Å²	191	141.1 Å²	141.1	83%	0.83	71%	0.714	S	S	*	*			trans	87	144.4	144.3	-82.2	-173.3	171.6	-175.7	0	121.1
73	T	24.4	Very low	25	Very low	125 Å²	125	139.2 Å²	139.2	77%	0.767	71%	0.71	S	S	*	*			trans	71	97.3	149.8	40	0	0	0	0	123.1
74	R	23.7	Very low	25.2	Very low	229 Å²	229	135.6 Å²	135.6	86%	0.864	71%	0.71	S	S	*	*				73.3	125	109.4	-172.6	179.3	-176.9	178.9	2.2	122
75	S	23.4	Very low	25.3	Very low	82 Å²	82	139.7 Å²	139.7	57%	0.573	71%	0.709	S	S	*	*			trans	63	125.8	157.7	-69.9	0	0	0	0	117.8
76	Q	26.7	Very low	25.5	Very low	165 Å²	165	140.2 Å²	140.2	77%	0.771	72%	0.715	S	S	*	*				79.7	128.6	57.9	-79.7	-172.2	-33.7	0	0	115.6
77	H	26.9	Very low	25.8	Very low	160 Å²	160	140.5 Å²	140.5	74%	0.741	72%	0.718	S	S	*	*			trans	155.8	130.4	138.3	-83.7	-64.6	0	0	0	109.1
78	T	27.6	Very low	26.1	Very low	102 Å²	102	140.3 Å²	140.3	63%	0.626	72%	0.724	S	S	*	*			cis	76.4	144.8	44.3	71.6	0	0	0	0	113.5
79	D	26.7	Very low	26.3	Very low	138 Å²	138	135.9 Å²	135.9	74%	0.738	71%	0.714	S	S	*	*			cis	-172.7	176.1	4.3	-110.5	19.4	0	0	0	107.9
80	V	30.5	Very low	26.4	Very low	116 Å²	116	132.3 Å²	132.3	70%	0.703	70%	0.701	S	S	*	*			cis	-174.2	-138.4	-24.9	67.8	0	0	0	0	106.7
81	S	28.9	Very low	26.5	Very low	69 Å²	69	134 Å²	134	48%	0.483	70%	0.702	S	S	.	*			trans	78	150.2	153.6	71.9	0	0	0	0	119.7	Q53	Q53-S81 PolarHBondContact NE2-OG 3.48Å
82	T	28.7	Very low	26.4	Very low	96 Å²	96	127.8 Å²	127.8	59%	0.589	68%	0.683	S	S	*	*			cis	-152.8	-171.8	-5.4	5.8	0	0	0	0	108.9	Q53	Q53-T82 VanDerWaalsContact CD-OG1 3.31Å; Q53-T82 PolarHBondContact NE2-OG1 2.83Å; Q53-T82 VanDerWaalsContact OE1-N 3.08Å; Q53-T82 PolarHBondContact OE1-OG1 3.3Å
83	I	27.5	Very low	27.1	Very low	140 Å²	140	122.2 Å²	122.2	72%	0.718	67%	0.667	S	S	*	*			cis	-146.3	-161.6	9.5	1.9	175.3	0	0	0	106.8
84	T	27.5	Very low	27.2	Very low	117 Å²	117	121.7 Å²	121.7	72%	0.718	66%	0.663	S	S	*	*			cis	-172.5	165.6	3.1	14.4	0	0	0	0	105.9
85	Y	26.3	Very low	27.3	Very low	205 Å²	205	117.9 Å²	117.9	80%	0.804	66%	0.66	S	S	*	*			cis	-175.8	-163.6	-27.9	-155.7	-116.4	0	0	0	108.8
86	N	28.8	Very low	27.4	Very low	135 Å²	135	118.6 Å²	118.6	72%	0.722	67%	0.665	S	S	*	*			trans	81.3	-170.3	163.5	-61	-40.9	0	0	0	120.2
87	N	28.1	Very low	27.2	Very low	147 Å²	147	115.2 Å²	115.2	79%	0.786	66%	0.658	S	S	*	*			trans	-144.2	-169.4	-160.9	-76.2	-98.5	0	0	0	109.3
88	V	27.5	Very low	27.1	Very low	129 Å²	129	116.4 Å²	116.4	78%	0.782	66%	0.662	S	S	*	*			cis	-162.9	-177.8	24.9	-139.2	0	0	0	0	111.3
89	S	26.4	Very low	26.8	Very low	74 Å²	74	116.8 Å²	116.8	52%	0.517	66%	0.664	S	S	.	*			trans	72.2	-179.6	151.6	-76.3	0	0	0	0	119.6	N1579	S89-N1579 WeakPolarHBondContact O-CB 2.13Å; S89-N1579 PolarHBondContact O-ND2 2.86Å
90	S	25.6	Very low	26.6	Very low	75 Å²	75	117.5 Å²	117.5	52%	0.524	67%	0.666	S	S	.	*				-171.3	156.7	-54.8	61.5	0	0	0	0	112.6	S1581	S90-S1581 PolarHBondContact O-OG 3.37Å
91	I	24.8	Very low	26.2	Very low	122 Å²	122	116.7 Å²	116.7	63%	0.626	67%	0.666	S	S	*	*				-156.7	117.1	-54.7	-116.8	161.9	0	0	0	112.4	A1580 S1581	I91-A1580 CarbonylContact C-O 3.53Å; I91-S1581 VanDerWaalsContact C-OG 3.25Å; I91-S1581 PolarHBondContact N-OG 3.2Å
92	S	21.1	Very low	26	Very low	66 Å²	66	118.4 Å²	118.4	46%	0.462	68%	0.678	S	S	.	*	B	Isolated β-bridge	trans	77.1	154.3	155.2	76.5	0	0	0	0	121.7	A1580 S1581 T1582	S92-A1580 PolarHBondContact N-O 2.9Å; S92-S1581 VanDerWaalsContact O-CA 3.31Å; S92-S1581 WeakPolarHBondContact O-CA 3.37Å; S92-T1582 PolarHBondContact O-N 2.94Å
93	P	37.9	Very low	25.7	Very low	75 Å²	75	119.8 Å²	119.8	49%	0.487	68%	0.682	S	S	.	*			cis	-147.3	167.1	-45.7	40.3	-24.1	0	0	0	118.4	T1582	P93-T1582 WeakPolarHBondContact O-CG2 3.27Å
94	T	26.9	Very low	25.6	Very low	113 Å²	113	118.7 Å²	118.7	69%	0.693	68%	0.677	S	S	*	*			trans	86.2	171.7	169.1	77.3	0	0	0	0	116.2	T1582	T94-T1582 WeakPolarHBondContact O-CG2 3.27Å
95	N	25.4	Very low	25.5	Very low	150 Å²	150	119.4 Å²	119.4	80%	0.802	68%	0.677	S	S	*	*			cis	-153.6	-163.5	15.8	-147.2	-22.1	0	0	0	115.5
96	S	24.8	Very low	25.5	Very low	97 Å²	97	116.6 Å²	116.6	68%	0.678	67%	0.671	S	S	*	*			trans	-102.3	169.8	-167.6	74.4	0	0	0	0	115.8
97	C	24.2	Very low	25.4	Very low	93 Å²	93	117.3 Å²	117.3	63%	0.628	67%	0.673	S	S	*	*			cis	-169.2	162.8	5.4	-141.7	0	0	0	0	113.4
98	F	23.7	Very low	25.2	Very low	186 Å²	186	113.3 Å²	113.3	82%	0.816	66%	0.66	S	S	*	*			trans	67	152.9	160.1	-63.2	-53.6	0	0	0	119.2
99	T	22.7	Very low	25.1	Very low	110 Å²	110	116.7 Å²	116.7	68%	0.675	66%	0.66	S	S	*	*			cis	-161.1	153.2	-1.2	6.2	0	0	0	0	113.4
100	I	21.7	Very low	25	Very low	152 Å²	152	120.4 Å²	120.4	78%	0.779	67%	0.67	S	S	*	*			trans	79.5	130	142.8	-70.4	163.4	0	0	0	123.1
101	S	22.4	Very low	25.1	Very low	99 Å²	99	123.8 Å²	123.8	69%	0.692	68%	0.681	S	S	*	*			trans	58.6	113.6	152.7	73.3	0	0	0	0	125.3
102	S	23.8	Very low	25.1	Very low	105 Å²	105	124.5 Å²	124.5	73%	0.734	69%	0.686	S	S	*	*				74.6	119.8	117.5	-65.9	0	0	0	0	124.4
103	N	23.5	Very low	25.3	Very low	125 Å²	125	127.9 Å²	127.9	67%	0.668	70%	0.699	S	S	*	*			trans	81.1	115	135.6	-72.1	67.9	0	0	0	121.8
104	D	25.1	Very low	24.9	Very low	118 Å²	118	131.3 Å²	131.3	63%	0.631	71%	0.712	S	S	*	*			trans	63.6	121.6	131.4	-42.3	-22.8	0	0	0	120.7
105	N	26	Very low	25	Very low	132 Å²	132	132.3 Å²	132.3	71%	0.706	71%	0.711	S	S	*	*				-175.9	153.6	87.8	-99.1	-65.8	0	0	0	116.2
106	H	26.1	Very low	25	Very low	146 Å²	146	131.3 Å²	131.3	68%	0.676	71%	0.706	S	S	*	*			trans	49.7	131.4	160.8	-63.3	-64.6	0	0	0	121.1
107	I	25.7	Very low	25.1	Very low	150 Å²	150	132.2 Å²	132.2	77%	0.769	70%	0.703	S	S	*	*			cis	75.8	122.8	43.8	-58.6	159	0	0	0	109.3
108	A	24.8	Very low	25.2	Very low	62 Å²	62	133.6 Å²	133.6	51%	0.512	70%	0.704	S	S	.	*				-172.8	-177.6	54.3	0	0	0	0	0	115.8
109	Y	24.7	Very low	25.2	Very low	200 Å²	200	133 Å²	133	78%	0.784	70%	0.704	S	S	*	*			trans	78	137.8	147.5	-65.6	-45.2	0	0	0	120.4
110	E	25	Very low	25.3	Very low	153 Å²	153	135.5 Å²	135.5	72%	0.715	71%	0.708	S	S	*	*			cis	-165	178.4	-9.6	-156.6	158.3	-140.4	0	0	113.2
111	L	27.5	Very low	25.4	Very low	145 Å²	145	133.1 Å²	133.1	76%	0.759	70%	0.7	S	S	*	*			trans	99.6	141.8	155	-73.8	165.8	0	0	0	120.3
112	N	24.9	Very low	25.5	Very low	137 Å²	137	136.6 Å²	136.6	73%	0.733	70%	0.703	S	S	*	*			trans	-124.6	176.6	-165.7	-55.2	-44.4	0	0	0	111
113	D	25.5	Very low	25.5	Very low	138 Å²	138	139 Å²	139	74%	0.738	70%	0.703	S	S	*	*				162.6	172.7	107.3	-87.3	-31	0	0	0	113.6
114	I	28.6	Very low	25.5	Very low	147 Å²	147	139.8 Å²	139.8	75%	0.754	71%	0.707	S	S	*	*			trans	98.8	97.3	155.3	-53.5	-166.4	0	0	0	118.8
115	I	29.1	Very low	25.6	Very low	133 Å²	133	142 Å²	142	68%	0.682	72%	0.719	S	S	*	*			trans	75.7	108.2	137.2	-64.4	179.4	0	0	0	117.9
116	D	25.9	Very low	25.6	Very low	129 Å²	129	143.5 Å²	143.5	69%	0.69	73%	0.727	S	S	*	*				83.2	147.4	76.7	-56.7	-11.5	0	0	0	112.6
117	N	26.8	Very low	25.6	Very low	117 Å²	117	141.1 Å²	141.1	63%	0.626	73%	0.727	S	S	*	*			cis	-163.7	164.6	-3	-117.4	28	0	0	0	112.3
118	D	25.6	Very low	25.7	Very low	121 Å²	121	142.1 Å²	142.1	65%	0.647	73%	0.734	S	S	*	*			trans	56	133.6	145.6	-49.2	-19.6	0	0	0	120.6
119	E	23.8	Very low	25.8	Very low	175 Å²	175	144.4 Å²	144.4	82%	0.818	74%	0.737	S	S	*	*				66.2	141.4	64.4	-70.2	-169.3	178.8	0	0	114.3
120	E	24	Very low	26	Very low	162 Å²	162	142.8 Å²	142.8	76%	0.757	74%	0.742	S	S	*	*			cis	-149.8	-165	12	-141.3	-165	167.5	0	0	113.7
121	V	25.3	Very low	26.1	Very low	102 Å²	102	142.5 Å²	142.5	62%	0.618	74%	0.744	S	S	*	*			trans	-75.1	161.7	-166.3	169.4	0	0	0	0	116.1
122	F	23.9	Very low	26.1	Very low	171 Å²	171	142.5 Å²	142.5	75%	0.75	75%	0.745	S	S	*	*				174.6	175.6	123.8	-94.8	-69.5	0	0	0	116
123	E	23.5	Very low	26.3	Very low	155 Å²	155	142 Å²	142	72%	0.724	74%	0.742	S	S	*	*			trans	-95.9	167.3	-145.2	-69.6	168.1	138.9	0	0	118.4
124	D	24.7	Very low	26.4	Very low	143 Å²	143	138.3 Å²	138.3	77%	0.765	72%	0.723	S	S	*	*			trans	56.7	125	154.5	-70.9	-2.7	0	0	0	122
125	N	25.3	Very low	26.4	Very low	163 Å²	163	134 Å²	134	87%	0.872	72%	0.715	S	S	*	*				-170.7	156	115.4	-103.5	-81.7	0	0	0	111.8
126	D	26.9	Very low	26.3	Very low	164 Å²	164	136.7 Å²	136.7	88%	0.877	72%	0.722	S	S	*	*			trans	-67	135.3	-176.7	-70.8	-64.9	0	0	0	114.4
127	S	26	Very low	26.5	Very low	96 Å²	96	135.7 Å²	135.7	67%	0.671	71%	0.709	S	S	*	*			trans	-157.7	134.2	147.4	60.9	0	0	0	0	112.9	N129	S127-N129 PolarHBondContact O-N 3.15Å; S127-N129 PolarHBondContact OG-ND2 3.11Å
128	D	27.1	Very low	26.8	Very low	172 Å²	172	134.7 Å²	134.7	92%	0.92	70%	0.704	S	S	*	*			trans	-66.6	113.2	170.7	-83.6	-57.7	0	0	0	110.7
129	N	27.6	Very low	27.3	Very low	109 Å²	109	137.8 Å²	137.8	58%	0.583	71%	0.711	S	S	*	*			trans	-138.7	103.9	166.4	-81.4	-76.5	0	0	0	110.5	S127 I131	S127-N129 PolarHBondContact O-N 3.15Å; S127-N129 PolarHBondContact OG-ND2 3.11Å; N129-I131 HydrophobicContact CB-CD1 4.42Å; N129-I131 HydrophobicContact CB-CG1 4.39Å; N129-I131 PolarHBondContact O-N 2.74Å; N129-I131 VanDerWaalsContact O-N 3.09Å
130	D	28.2	Very low	27.8	Very low	167 Å²	167	131.4 Å²	131.4	89%	0.893	68%	0.683	S	S	*	*			trans	-63.7	104.3	166	-91.5	-51.6	0	0	0	108.8
131	I	27.9	Very low	28.4	Very low	146 Å²	146	125.4 Å²	125.4	75%	0.749	66%	0.655	S	S	*	*			trans	-119	142.1	172.5	-65.1	-178.9	0	0	0	109.6	N129 D133	N129-I131 HydrophobicContact CB-CD1 4.42Å; N129-I131 HydrophobicContact CB-CG1 4.39Å; N129-I131 PolarHBondContact O-N 2.74Å; N129-I131 VanDerWaalsContact O-N 3.09Å; I131-D133 PolarHBondContact O-N 3.04Å
132	D	28.3	Very low	28.7	Very low	145 Å²	145	124.3 Å²	124.3	78%	0.775	65%	0.645	S	S	*	*			trans	-71.6	91.6	-163.8	-77.6	-68	0	0	0	114.7	D134	D132-D134 PolarHBondContact O-N 2.76Å
133	D	29	Very low	29.1	Very low	126 Å²	126	120.1 Å²	120.1	67%	0.674	63%	0.63	S	S	*	*			trans	-75.5	75.7	163.9	-143.3	-14.3	0	0	0	111	I131	I131-D133 PolarHBondContact O-N 3.04Å
134	D	27.7	Very low	29.7	Very low	62 Å²	62	116 Å²	116	33%	0.332	61%	0.611	S	S	.	*			trans	-87.3	23.1	169.2	-101.9	13.1	0	0	0	111.6	D132 R1898	D132-D134 PolarHBondContact O-N 2.76Å; D134-R1898 IonicContact OD1-CZ 3.3Å; D134-R1898 IonicContact OD1-NH1 2.74Å; D134-R1898 PolarHBondContact OD1-NH1 3.25Å; D134-R1898 IonicContact OD1-NH2 3.11Å; D134-R1898 PolarHBondContact OD1-NH2 3.23Å; D134-R1898 IonicContact OD2-NH1 3.36Å
135	G	27.1	Very low	29.9	Very low	57 Å²	57	114.1 Å²	114.1	59%	0.588	60%	0.6	S	S	*	*			trans	-88	-8.6	-169.6	0	0	0	0	0	118.5
136	F	27.9	Very low	29.8	Very low	189 Å²	189	113.4 Å²	113.4	83%	0.829	59%	0.59	S	S	*	*			trans	-116.7	74.1	-176.3	-94	-86.5	0	0	0	114.4
137	Y	30.2	Very low	29.8	Very low	107 Å²	107	111.3 Å²	111.3	42%	0.42	57%	0.573	S	S	.	*			trans	-92.8	93.3	168.5	-83.7	-80.2	0	0	0	112	K139	Y137-K139 PolarHBondContact O-N 2.66Å
138	N	33.4	Very low	29.6	Very low	97 Å²	97	115.2 Å²	115.2	52%	0.519	58%	0.578	S	S	.	*			trans	-54.4	126.2	162.4	-93.5	-81.7	0	0	0	110.1	D140 E141	N138-D140 PolarHBondContact O-N 3.12Å; N138-E141 PolarHBondContact O-N 3.07Å
139	K	35.7	Very low	29.4	Very low	186 Å²	186	114 Å²	114	81%	0.809	57%	0.57	S	S	*	*	G	3₁₀ helix	trans	-46.8	-41.2	-177	-72.8	176.2	179.2	168.2	0	113.1	Y137 E141 I142	Y137-K139 PolarHBondContact O-N 2.66Å; K139-E141 PolarHBondContact O-N 2.95Å; K139-I142 PolarHBondContact O-N 3.31Å
140	D	34.7	Very low	29.3	Very low	40 Å²	40	113.4 Å²	113.4	21%	0.214	57%	0.572	C	S	.	*	G	3₁₀ helix	trans	-35.2	-41.2	169	-86.7	4.4	0	0	0	114.9	N138 R1989 K1993 R2065	N138-D140 PolarHBondContact O-N 3.12Å; D140-R1989 IonicContact OD2-CZ 3.44Å; D140-R1989 IonicContact OD2-NE 3.16Å; D140-R1989 IonicContact OD2-NH2 3.96Å; D140-R1989 PolarHBondContact OD2-NH2 2.85Å; D140-K1993 VanDerWaalsContact CG-NZ 3.34Å; D140-K1993 IonicContact OD1-NZ 2.74Å; D140-K1993 PolarHBondContact OD1-NZ 3.03Å; D140-K1993 VanDerWaalsContact OD1-NZ 3.09Å; D140-K1993 IonicContact OD2-NZ 3.95Å; D140-K1993 PolarHBondContact OD2-NZ 3.24Å; D140-R2065 PolarHBondContact O-NH2 2.65Å
141	E	35.3	Very low	29	Very low	36 Å²	36	111.8 Å²	111.8	17%	0.168	57%	0.569	C	S	.	*	G	3₁₀ helix	trans	-89.2	-8.5	-172.8	-138.6	-165.5	-142	0	0	114.2	N138 K139 E144 R1895 K1901	N138-E141 PolarHBondContact O-N 3.07Å; K139-E141 PolarHBondContact O-N 2.95Å; E141-E144 HydrophobicContact CG-CB 4.22Å; E141-E144 HydrophobicContact CG-CG 4.4Å; E141-E144 PolarHBondContact O-N 2.96Å; E141-R1895 PolarHBondContact O-NH1 3.4Å; E141-R1895 VanDerWaalsContact O-NH1 3.13Å; E141-R1895 PolarHBondContact O-NH2 2.91Å; E141-R1895 IonicContact OE2-CZ 2.62Å; E141-R1895 IonicContact OE2-NH1 3.91Å; E141-R1895 PolarHBondContact OE2-NH1 3.36Å; E141-K1901 IonicContact OE1-NZ 3.16Å; E141-K1901 PolarHBondContact OE1-NZ 3.33Å
142	I	32	Very low	28.9	Very low	79 Å²	79	109.3 Å²	109.3	41%	0.405	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.4	-37.8	168.7	-60.6	178.8	0	0	0	109.1	K139 E144 L145 F146	K139-I142 PolarHBondContact O-N 3.31Å; I142-E144 PolarHBondContact O-N 2.85Å; I142-L145 WeakPolarHBondContact O-CA 3.46Å; I142-L145 WeakPolarHBondContact O-CB 2.99Å; I142-L145 PolarHBondContact O-N 3.33Å; I142-F146 HydrophobicContact CG2-CD2 3.8Å; I142-F146 HydrophobicContact CG2-CE2 4.14Å; I142-F146 PolarHBondContact O-N 3.13Å; I142-F146 VanDerWaalsContact O-N 3.11Å
143	D	33.1	Very low	28.6	Very low	84 Å²	84	106.6 Å²	106.6	45%	0.449	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.8	-12.2	168.4	-63.9	-12.8	0	0	0	113.5	L145 R2065	D143-L145 VanDerWaalsContact C-N 3.31Å; D143-R2065 VanDerWaalsContact CB-NH2 3.27Å; D143-R2065 PolarHBondContact O-NH2 3.44Å; D143-R2065 IonicContact OD2-NH1 3.74Å
144	E	36	Very low	28.3	Very low	67 Å²	67	106.2 Å²	106.2	31%	0.313	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.5	1	166.5	-68.9	-163	169.6	0	0	113	E141 I142 R1895 K1901 R2065	E141-E144 HydrophobicContact CG-CB 4.22Å; E141-E144 HydrophobicContact CG-CG 4.4Å; E141-E144 PolarHBondContact O-N 2.96Å; I142-E144 PolarHBondContact O-N 2.85Å; E144-R1895 PolarHBondContact O-NH2 3.18Å; E144-K1901 IonicContact OE2-NZ 2.66Å; E144-K1901 PolarHBondContact OE2-NZ 2.72Å; E144-R2065 VanDerWaalsContact CG-NH2 3.26Å
145	L	27.7	Very low	28.1	Very low	105 Å²	105	109.2 Å²	109.2	55%	0.55	58%	0.576	S	S	.	*	T	Hydrogen-bonded Turn	trans	-119.6	-36	-179.9	-118.1	170.4	0	0	0	113.2	I142 D143 F147 R1895	I142-L145 WeakPolarHBondContact O-CA 3.46Å; I142-L145 WeakPolarHBondContact O-CB 2.99Å; I142-L145 PolarHBondContact O-N 3.33Å; D143-L145 VanDerWaalsContact C-N 3.31Å; L145-F147 PolarHBondContact O-N 2.92Å; L145-R1895 VanDerWaalsContact CG-NH2 3.28Å
146	F	24.3	Very low	28	Very low	147 Å²	147	113 Å²	113	65%	0.645	58%	0.578	S	S	*	*			trans	-97.2	66.1	-174.8	-75.3	-82.8	0	0	0	114.2	I142	I142-F146 HydrophobicContact CG2-CD2 3.8Å; I142-F146 HydrophobicContact CG2-CE2 4.14Å; I142-F146 PolarHBondContact O-N 3.13Å; I142-F146 VanDerWaalsContact O-N 3.11Å
147	F	26.5	Very low	27.8	Very low	120 Å²	120	110.1 Å²	110.1	53%	0.526	58%	0.575	S	S	.	*			trans	-126	61.1	160.6	-84.5	-79	0	0	0	111.6	L145 Y2069	L145-F147 PolarHBondContact O-N 2.92Å; F147-Y2069 HydrophobicContact CE1-CE1 4.04Å; F147-Y2069 AromaticContact CZ-CE1 3.96Å; F147-Y2069 HydrophobicContact CZ-CE1 3.96Å
148	F	21.9	Very low	27.6	Very low	179 Å²	179	112.5 Å²	112.5	79%	0.785	59%	0.588	S	S	*	*			trans	-57.4	140.7	150.3	-86.6	-89.9	0	0	0	108.8
149	I	22.6	Very low	27.3	Very low	147 Å²	147	117.7 Å²	117.7	75%	0.754	60%	0.602	S	S	*	*			trans	-53.1	132.7	162.1	-62.9	168.8	0	0	0	106.8	T151	I149-T151 VanDerWaalsContact C-N 3.31Å; I149-T151 PolarHBondContact O-N 2.83Å
150	P	25.4	Very low	26.8	Very low	96 Å²	96	112.1 Å²	112.1	62%	0.623	60%	0.597	S	S	*	*			trans	-59	98.8	168.3	-24.4	34.9	0	0	0	109.4	V152	P150-V152 PolarHBondContact O-N 3.18Å
151	T	22.5	Very low	26.2	Very low	133 Å²	133	115.9 Å²	115.9	82%	0.816	62%	0.617	S	S	*	*			trans	-57.7	93.7	152.3	37.4	0	0	0	0	105.2	I149 S153	I149-T151 VanDerWaalsContact C-N 3.31Å; I149-T151 PolarHBondContact O-N 2.83Å; T151-S153 PolarHBondContact O-N 2.81Å
152	V	25	Very low	25.9	Very low	94 Å²	94	123.6 Å²	123.6	57%	0.57	65%	0.653	S	S	*	*			trans	-62.2	96.5	175.8	176.8	0	0	0	0	106	P150 S154	P150-V152 PolarHBondContact O-N 3.18Å; V152-S154 PolarHBondContact O-N 2.65Å
153	S	22.5	Very low	25.5	Very low	88 Å²	88	126 Å²	126	62%	0.615	67%	0.666	S	S	*	*			trans	-52.6	127.2	171.6	-168.5	0	0	0	0	107.3	T151 N155	T151-S153 PolarHBondContact O-N 2.81Å; S153-N155 PolarHBondContact O-N 3.09Å; S153-N155 PolarHBondContact OG-OD1 3.38Å
154	S	22.6	Very low	25.2	Very low	117 Å²	117	131 Å²	131	82%	0.818	68%	0.684	S	S	*	*			trans	-75.2	55.6	-178.4	-60.2	0	0	0	0	111.1	V152 E156	V152-S154 PolarHBondContact O-N 2.65Å; S154-E156 PolarHBondContact O-N 2.7Å; S154-E156 VanDerWaalsContact O-N 3.12Å
155	N	24.3	Very low	24.8	Very low	126 Å²	126	135 Å²	135	67%	0.674	70%	0.702	S	S	*	*			trans	-81.6	91.4	172.7	-72.9	46.8	0	0	0	107.8	S153 V157	S153-N155 PolarHBondContact O-N 3.09Å; S153-N155 PolarHBondContact OG-OD1 3.38Å; N155-V157 PolarHBondContact O-N 3.26Å
156	E	24.3	Very low	24.7	Very low	137 Å²	137	135.9 Å²	135.9	64%	0.64	71%	0.708	S	S	*	*			trans	-56.2	109.4	162.3	-62.7	-168.5	107.5	0	0	109.1	S154 K158	S154-E156 PolarHBondContact O-N 2.7Å; S154-E156 VanDerWaalsContact O-N 3.12Å; E156-K158 HydrophobicContact CB-CD 4.48Å; E156-K158 HydrophobicContact CB-CG 4.3Å; E156-K158 PolarHBondContact O-N 3.22Å; E156-K158 WeakPolarHBondContact OE1-CE 3.45Å; E156-K158 IonicContact OE1-NZ 3.25Å; E156-K158 PolarHBondContact OE1-NZ 3.33Å; E156-K158 WeakPolarHBondContact OE2-CE 3.28Å; E156-K158 IonicContact OE2-NZ 2.63Å; E156-K158 PolarHBondContact OE2-NZ 3.38Å
157	V	24.9	Very low	24.9	Very low	127 Å²	127	136.7 Å²	136.7	77%	0.77	71%	0.713	S	S	*	*			trans	-75.7	72.7	158.3	-176.1	0	0	0	0	107	N155 Y159	N155-V157 PolarHBondContact O-N 3.26Å; V157-Y159 PolarHBondContact O-N 2.91Å
158	K	26.1	Very low	24.9	Very low	157 Å²	157	135.4 Å²	135.4	68%	0.683	72%	0.719	S	S	*	*			trans	-73.2	108.9	171	-102.9	172.4	-178.4	149.3	0	108.1	E156	E156-K158 HydrophobicContact CB-CD 4.48Å; E156-K158 HydrophobicContact CB-CG 4.3Å; E156-K158 PolarHBondContact O-N 3.22Å; E156-K158 WeakPolarHBondContact OE1-CE 3.45Å; E156-K158 IonicContact OE1-NZ 3.25Å; E156-K158 PolarHBondContact OE1-NZ 3.33Å; E156-K158 WeakPolarHBondContact OE2-CE 3.28Å; E156-K158 IonicContact OE2-NZ 2.63Å; E156-K158 PolarHBondContact OE2-NZ 3.38Å
159	Y	25	Very low	25.1	Very low	207 Å²	207	133 Å²	133	81%	0.812	71%	0.713	S	S	*	*			trans	-57.1	145.6	178.9	-85.3	-117.3	0	0	0	112.6	V157	V157-Y159 PolarHBondContact O-N 2.91Å
160	G	25.4	Very low	25.4	Very low	68 Å²	68	131.2 Å²	131.2	70%	0.701	71%	0.712	S	S	*	*			trans	169.6	159	137.6	0	0	0	0	0	115.6
161	N	23.8	Very low	25.3	Very low	119 Å²	119	130.9 Å²	130.9	64%	0.636	70%	0.7	S	S	*	*			cis	-173.9	118.1	-23.1	-115.4	-15.9	0	0	0	109.2	L163	N161-L163 HydrophobicContact CB-CD1 4.42Å; N161-L163 HydrophobicContact CB-CG 4.37Å
162	Q	28.3	Very low	25.5	Very low	198 Å²	198	128.4 Å²	128.4	93%	0.925	68%	0.681	S	S	*	*			trans	-144.7	106.8	149.8	-68.7	-159.8	30.3	0	0	107.8
163	L	23.2	Very low	25.6	Very low	130 Å²	130	130 Å²	130	68%	0.681	69%	0.686	S	S	*	*			cis	97.3	101.8	37.6	-73	167.6	0	0	0	113.3	N161	N161-L163 HydrophobicContact CB-CD1 4.42Å; N161-L163 HydrophobicContact CB-CG 4.37Å
164	K	27.7	Very low	25.8	Very low	188 Å²	188	130.8 Å²	130.8	82%	0.817	68%	0.683	S	S	*	*			trans	163.1	138.8	139.1	-87.3	153.3	-172.6	174.3	0	107.5
165	Q	27.2	Very low	26	Very low	152 Å²	152	128.4 Å²	128.4	71%	0.71	66%	0.664	S	S	*	*			cis	-155	147.3	3.8	-133.7	157.8	-13.8	0	0	110.3
166	N	24.5	Very low	26.2	Very low	123 Å²	123	127.6 Å²	127.6	66%	0.658	66%	0.659	S	S	*	*			trans	34	142.3	138.7	-60.7	28.8	0	0	0	120
167	Q	28.4	Very low	26.3	Very low	164 Å²	164	126.5 Å²	126.5	77%	0.766	66%	0.658	S	S	*	*			cis	-170	179.7	9.6	-114	170.6	-109.7	0	0	107.2
168	S	26.8	Very low	26.6	Very low	93 Å²	93	127.1 Å²	127.1	65%	0.65	66%	0.656	S	S	*	*			cis	-163.9	171.1	-8.4	34.3	0	0	0	0	109.2
169	I	27	Very low	26.6	Very low	129 Å²	129	126.1 Å²	126.1	66%	0.662	65%	0.653	S	S	*	*			trans	-133.1	148.1	164.7	-36.5	176.5	0	0	0	107.6	F171	I169-F171 HydrophobicContact CB-CE2 4.49Å; I169-F171 HydrophobicContact CB-CZ 4.28Å; I169-F171 HydrophobicContact CG2-CD1 4.39Å; I169-F171 HydrophobicContact CG2-CE1 4.16Å; I169-F171 HydrophobicContact CG2-CZ 4.33Å
170	P	28.4	Very low	26.8	Very low	110 Å²	110	123 Å²	123	71%	0.714	64%	0.644	S	S	*	*				-140.2	148.1	116.4	21.3	-0.1	0	0	0	112.8
171	F	24.6	Very low	26.8	Very low	89 Å²	89	124.9 Å²	124.9	39%	0.39	65%	0.646	S	S	.	*				83.3	146.2	51.7	-54.7	-38.7	0	0	0	115.4	I169 N1650 I1651	I169-F171 HydrophobicContact CB-CE2 4.49Å; I169-F171 HydrophobicContact CB-CZ 4.28Å; I169-F171 HydrophobicContact CG2-CD1 4.39Å; I169-F171 HydrophobicContact CG2-CE1 4.16Å; I169-F171 HydrophobicContact CG2-CZ 4.33Å; F171-N1650 HydrophobicContact CD1-CB 3.45Å; F171-N1650 VanDerWaalsContact CD1-CB 3.45Å; F171-N1650 WeakPolarHBondContact CD2-O 3.28Å; F171-N1650 HydrophobicContact CE1-CB 3.54Å; F171-N1650 WeakPolarHBondContact CE2-O 3.38Å; F171-N1650 HydrophobicContact CG-CB 4.01Å; F171-N1650 WeakPolarHBondContact CG-O 3.26Å; F171-N1650 HydrophobicContact CZ-CB 4.16Å; F171-I1651 HydrophobicContact CE1-CB 4.21Å; F171-I1651 HydrophobicContact CE1-CD1 4.43Å; F171-I1651 HydrophobicContact CE2-CB 4.32Å; F171-I1651 HydrophobicContact CZ-CB 3.71Å; F171-I1651 HydrophobicContact CZ-CG2 4.02Å
172	I	26.1	Very low	26.9	Very low	81 Å²	81	127.7 Å²	127.7	42%	0.415	65%	0.649	S	S	.	*			cis	-167.5	158.6	-48.7	-114.1	177.7	0	0	0	110.6	M1649 N1650	I172-M1649 WeakPolarHBondContact CG2-O 3.38Å; I172-N1650 HydrophobicContact CD1-CB 4.15Å; I172-N1650 HydrophobicContact CG2-CB 4.46Å
173	L	26.8	Very low	26.7	Very low	128 Å²	128	123.6 Å²	123.6	67%	0.67	63%	0.633	S	S	*	*			trans	-78.9	-166.7	172.1	49.2	69.3	0	0	0	117.1	S1647 N1648	L173-S1647 VanDerWaalsContact CB-OG 3.27Å; L173-S1647 WeakPolarHBondContact CB-OG 3.28Å; L173-S1647 VanDerWaalsContact CD2-OG 3.27Å; L173-S1647 WeakPolarHBondContact CD2-OG 3.37Å; L173-N1648 WeakPolarHBondContact O-CB 3.47Å; L173-N1648 PolarHBondContact O-ND2 3.38Å
174	N	26.5	Very low	26.7	Very low	103 Å²	103	124.3 Å²	124.3	55%	0.551	64%	0.638	S	S	*	*			trans	-129.1	142.9	-145.5	175.7	96.5	0	0	0	114.6	S1647 N1648	N174-S1647 VanDerWaalsContact OD1-CB 3.24Å; N174-S1647 WeakPolarHBondContact OD1-CB 3.23Å; N174-N1648 HydrophobicContact CB-CB 4.01Å
175	T	27.9	Very low	26.5	Very low	67 Å²	67	120.4 Å²	120.4	41%	0.411	64%	0.635	S	S	.	*			cis	83.8	165.9	21.7	69.6	0	0	0	0	118.3	N1648	T175-N1648 WeakPolarHBondContact CB-OD1 3.36Å; T175-N1648 VanDerWaalsContact CG2-CG 3.43Å; T175-N1648 WeakPolarHBondContact CG2-ND2 3.44Å; T175-N1648 WeakPolarHBondContact CG2-OD1 3.36Å; T175-N1648 WeakPolarHBondContact OG1-CB 3.45Å; T175-N1648 PolarHBondContact OG1-ND2 3.13Å; T175-N1648 PolarHBondContact OG1-OD1 3.2Å
176	N	26.5	Very low	26.3	Very low	109 Å²	109	121.8 Å²	121.8	58%	0.583	64%	0.639	S	S	*	*			cis	-131.4	-171.6	-17	-131.9	27.9	0	0	0	107.3
177	D	27.9	Very low	26.2	Very low	114 Å²	114	123.6 Å²	123.6	61%	0.61	65%	0.648	S	S	*	*			cis	-152.4	-166.5	5.3	-140.6	-39.9	0	0	0	105.8
178	I	30.3	Very low	26.2	Very low	141 Å²	141	122.1 Å²	122.1	72%	0.723	65%	0.645	S	S	*	*			cis	-154.1	140.8	-2.3	-156.4	169.3	0	0	0	104.3
179	H	27.5	Very low	26.1	Very low	135 Å²	135	125.2 Å²	125.2	63%	0.625	65%	0.649	S	S	*	*				61.1	140.1	58	-78	27.5	0	0	0	114.4
180	K	28.8	Very low	26	Very low	142 Å²	142	127.3 Å²	127.3	62%	0.617	66%	0.66	S	S	*	*			cis	-152.8	162.6	-18.7	-104.8	164.9	174.4	154.5	0	105.6	Y182	K180-Y182 HydrophobicContact CD-CD2 4.4Å; K180-Y182 HydrophobicContact CD-CE2 4.22Å; K180-Y182 HydrophobicContact CG-CD2 3.96Å; K180-Y182 HydrophobicContact CG-CE2 3.97Å
181	S	25.7	Very low	25.8	Very low	108 Å²	108	125.3 Å²	125.3	76%	0.755	65%	0.648	S	S	*	*			cis	-151.9	146.9	41.6	35	0	0	0	0	110.5
182	Y	24.3	Very low	26.1	Very low	177 Å²	177	125.6 Å²	125.6	69%	0.694	66%	0.659	S	S	*	*				59.1	127.8	73.8	-72.5	-84.7	0	0	0	113.9	K180	K180-Y182 HydrophobicContact CD-CD2 4.4Å; K180-Y182 HydrophobicContact CD-CE2 4.22Å; K180-Y182 HydrophobicContact CG-CD2 3.96Å; K180-Y182 HydrophobicContact CG-CE2 3.97Å
183	D	24.3	Very low	26.3	Very low	112 Å²	112	128.4 Å²	128.4	60%	0.599	67%	0.668	S	S	*	*			cis	-162.6	-155.7	-10.9	-150.3	-19.9	0	0	0	111.7
184	D	23.3	Very low	26.7	Very low	146 Å²	146	126.8 Å²	126.8	78%	0.781	66%	0.66	S	S	*	*			trans	83.8	76.9	158.7	-73.2	-29.6	0	0	0	119.2
185	S	22.9	Very low	27.4	Very low	106 Å²	106	123.8 Å²	123.8	74%	0.741	65%	0.646	S	S	*	*			trans	-143.3	37.1	145.2	55.5	0	0	0	0	113.9	N187	S185-N187 PolarHBondContact O-N 2.98Å
186	F	24.1	Very low	27.9	Very low	181 Å²	181	123.4 Å²	123.4	79%	0.794	64%	0.643	S	S	*	*			trans	-75.6	48.5	172.8	-89.3	-72.4	0	0	0	114.1
187	N	21.9	Very low	28.5	Very low	161 Å²	161	119.2 Å²	119.2	86%	0.861	62%	0.621	S	S	*	*			trans	-113.3	39.7	156.7	-120.1	-47	0	0	0	110.3	S185 Q189	S185-N187 PolarHBondContact O-N 2.98Å; N187-Q189 PolarHBondContact O-N 3.22Å; N187-Q189 VanDerWaalsContact O-N 3.08Å
188	L	27.6	Very low	29.1	Very low	132 Å²	132	119.3 Å²	119.3	69%	0.691	62%	0.616	S	S	*	*			trans	-63.5	111.8	166.4	-98.7	167.1	0	0	0	108.7
189	Q	25.5	Very low	29.7	Very low	159 Å²	159	115.3 Å²	115.3	74%	0.743	59%	0.594	S	S	*	*			trans	-35.1	153.7	160	-62	169.5	-36.5	0	0	111.3	N187 S191	N187-Q189 PolarHBondContact O-N 3.22Å; N187-Q189 VanDerWaalsContact O-N 3.08Å; Q189-S191 PolarHBondContact O-N 2.8Å
190	I	25.8	Very low	30.4	Very low	173 Å²	173	111.3 Å²	111.3	89%	0.887	57%	0.574	S	S	*	*			trans	-58.1	90.4	169.6	-58.7	173.3	0	0	0	108.2	P192	I190-P192 WeakPolarHBondContact O-CD 3.47Å; I190-P192 VanDerWaalsContact O-N 3.12Å
191	S	23.5	Very low	30.9	Very low	68 Å²	68	106 Å²	106	48%	0.476	55%	0.551	S	S	.	*			trans	-61.1	120.2	-176.1	176.6	0	0	0	0	106.7	Q189 K193	Q189-S191 PolarHBondContact O-N 2.8Å; S191-K193 PolarHBondContact O-N 3.27Å
192	P	29.8	Very low	31.6	Very low	94 Å²	94	105.5 Å²	105.5	61%	0.61	54%	0.544	S	S	*	.			trans	-57.3	114.8	-178.6	22.8	-32.4	0	0	0	107.1	I190 L194	I190-P192 WeakPolarHBondContact O-CD 3.47Å; I190-P192 VanDerWaalsContact O-N 3.12Å; P192-L194 PolarHBondContact O-N 3.03Å
193	K	31.5	Very low	32.3	Very low	141 Å²	141	103 Å²	103	61%	0.613	54%	0.539	S	S	*	.			trans	-54.3	110	-171.9	-98.1	179.8	177.7	170.2	0	107.7	S191 P195 Y2082	S191-K193 PolarHBondContact O-N 3.27Å; K193-P195 VanDerWaalsContact O-CD 3.22Å; K193-P195 WeakPolarHBondContact O-CD 3.47Å; K193-Y2082 HydrophobicContact CD-CE2 4.29Å
194	L	35.1	Very low	33.1	Very low	94 Å²	94	98.5 Å²	98.5	49%	0.492	52%	0.515	S	S	.	.			trans	-54	110.3	-166.5	-147.1	85.1	0	0	0	107.5	P192 T196 P248	P192-L194 PolarHBondContact O-N 3.03Å; L194-T196 PolarHBondContact O-N 2.66Å; L194-T196 VanDerWaalsContact O-N 3.16Å; L194-P248 HydrophobicContact CD1-CB 3.58Å; L194-P248 HydrophobicContact CD1-CG 3.78Å; L194-P248 HydrophobicContact CD2-CG 4.31Å; L194-P248 HydrophobicContact CG-CG 4.21Å
195	P	40.7	Very low	34.1	Very low	40 Å²	40	95.9 Å²	95.9	26%	0.26	50%	0.498	S	S	.	.			trans	-55.7	130.5	-168.6	11.6	-24.7	0	0	0	108.4	K193 E199 R200	K193-P195 VanDerWaalsContact O-CD 3.22Å; K193-P195 WeakPolarHBondContact O-CD 3.47Å; P195-E199 HydrophobicContact CB-CB 3.95Å; P195-R200 HydrophobicContact CB-CG 4.15Å; P195-R200 HydrophobicContact CG-CG 3.93Å; P195-R200 PolarHBondContact O-NE 2.85Å; P195-R200 PolarHBondContact O-NH2 3.34Å
196	T	39.6	Very low	35.3	Very low	58 Å²	58	93.8 Å²	93.8	36%	0.356	48%	0.479	S	S	.	.			trans	-52.8	156.4	178.2	58.1	0	0	0	0	109.1	L194 K198 E199 R200	L194-T196 PolarHBondContact O-N 2.66Å; L194-T196 VanDerWaalsContact O-N 3.16Å; T196-K198 PolarHBondContact O-N 3.13Å; T196-K198 VanDerWaalsContact O-N 3.09Å; T196-E199 VanDerWaalsContact CB-OE2 3.27Å; T196-E199 WeakPolarHBondContact CB-OE2 3.39Å; T196-E199 VanDerWaalsContact CG2-OE2 3.27Å; T196-E199 WeakPolarHBondContact CG2-OE2 3.41Å; T196-E199 PolarHBondContact N-OE2 3.46Å; T196-E199 CarbonylContact O-C 3.55Å; T196-E199 PolarHBondContact O-N 3.34Å; T196-E199 WeakPolarHBondContact OG1-CB 3.06Å; T196-E199 VanDerWaalsContact OG1-CD 3.25Å; T196-E199 VanDerWaalsContact OG1-CG 3.31Å; T196-E199 WeakPolarHBondContact OG1-CG 3.17Å; T196-E199 PolarHBondContact OG1-N 3.2Å; T196-E199 PolarHBondContact OG1-OE2 3.13Å; T196-R200 PolarHBondContact O-N 2.87Å
197	L	37.1	Very low	36.7	Very low	22 Å²	22	87.9 Å²	87.9	12%	0.115	46%	0.455	C	S	.	.	H	α-helix	trans	-57.4	-35	-175.8	179.1	56.6	0	0	0	112.5	R200 I201 E320 L323 L324	L197-R200 HydrophobicContact CD1-CB 4.43Å; L197-R200 WeakPolarHBondContact O-CB 3.14Å; L197-R200 PolarHBondContact O-N 2.82Å; L197-I201 HydrophobicContact CD1-CD1 3.8Å; L197-I201 HydrophobicContact CD1-CG1 4.01Å; L197-I201 HydrophobicContact CD2-CD1 4.46Å; L197-I201 HydrophobicContact CG-CD1 3.93Å; L197-I201 HydrophobicContact CG-CG1 4.48Å; L197-I201 WeakPolarHBondContact O-CG1 3.4Å; L197-I201 PolarHBondContact O-N 2.82Å; L197-E320 HydrophobicContact CD2-CG 4.2Å; L197-E320 WeakPolarHBondContact CD2-O 3.3Å; L197-L323 HydrophobicContact CD1-CB 3.31Å; L197-L323 HydrophobicContact CD1-CD1 3.77Å; L197-L323 HydrophobicContact CD1-CG 4.11Å; L197-L323 HydrophobicContact CD2-CB 3.83Å; L197-L323 HydrophobicContact CG-CB 4.21Å; L197-L324 HydrophobicContact CD2-CB 4.29Å; L197-L324 HydrophobicContact CD2-CD2 3.54Å; L197-L324 HydrophobicContact CD2-CG 3.49Å; L197-L324 VanDerWaalsContact CD2-CG 3.49Å
198	K	41.4	Very low	38.2	Very low	115 Å²	115	85.1 Å²	85.1	50%	0.5	43%	0.432	S	S	.	.	H	α-helix	trans	-63	-52.3	173.4	-171.1	170.3	172.8	178.7	0	111.5	T196 R200 I201 T202 T2097	T196-K198 PolarHBondContact O-N 3.13Å; T196-K198 VanDerWaalsContact O-N 3.09Å; K198-R200 VanDerWaalsContact C-N 3.33Å; K198-R200 PolarHBondContact O-N 3.12Å; K198-I201 PolarHBondContact O-N 2.62Å; K198-T202 PolarHBondContact O-N 2.66Å; K198-T202 PolarHBondContact O-OG1 2.74Å; K198-T2097 PolarHBondContact NZ-OG1 3.39Å
199	E	43.2	Very low	39.8	Very low	57 Å²	57	82.7 Å²	82.7	27%	0.266	43%	0.425	S	S	.	.	H	α-helix	trans	-53.4	-49.3	173.1	-77.2	158.5	151.1	0	0	110.5	P195 T196 I201 T202 H203 R2078	P195-E199 HydrophobicContact CB-CB 3.95Å; T196-E199 VanDerWaalsContact CB-OE2 3.27Å; T196-E199 WeakPolarHBondContact CB-OE2 3.39Å; T196-E199 VanDerWaalsContact CG2-OE2 3.27Å; T196-E199 WeakPolarHBondContact CG2-OE2 3.41Å; T196-E199 PolarHBondContact N-OE2 3.46Å; T196-E199 CarbonylContact O-C 3.55Å; T196-E199 PolarHBondContact O-N 3.34Å; T196-E199 WeakPolarHBondContact OG1-CB 3.06Å; T196-E199 VanDerWaalsContact OG1-CD 3.25Å; T196-E199 VanDerWaalsContact OG1-CG 3.31Å; T196-E199 WeakPolarHBondContact OG1-CG 3.17Å; T196-E199 PolarHBondContact OG1-N 3.2Å; T196-E199 PolarHBondContact OG1-OE2 3.13Å; E199-I201 PolarHBondContact O-N 3.25Å; E199-T202 WeakPolarHBondContact CA-OG1 3.45Å; E199-T202 PolarHBondContact O-N 3.29Å; E199-T202 PolarHBondContact O-OG1 3.18Å; E199-H203 WeakPolarHBondContact O-CB 3.45Å; E199-H203 PolarHBondContact O-CD2 2.77Å; E199-H203 PolarHBondContact O-N 2.75Å; E199-R2078 IonicContact OE1-CZ 2.78Å; E199-R2078 IonicContact OE1-NH1 2.89Å; E199-R2078 IonicContact OE1-NH2 2.8Å; E199-R2078 PolarHBondContact OE1-NH2 3.28Å; E199-R2078 VanDerWaalsContact OE1-NH2 3.16Å
200	R	42	Very low	41.9	Very low	52 Å²	52	77.9 Å²	77.9	20%	0.196	40%	0.404	C	S	.	.	H	α-helix	trans	-49.1	-63.4	172.9	-97.4	173.8	-81.7	177.7	-7.3	111	P195 T196 L197 K198 T202 H203 T204	P195-R200 HydrophobicContact CB-CG 4.15Å; P195-R200 HydrophobicContact CG-CG 3.93Å; P195-R200 PolarHBondContact O-NE 2.85Å; P195-R200 PolarHBondContact O-NH2 3.34Å; T196-R200 PolarHBondContact O-N 2.87Å; L197-R200 HydrophobicContact CD1-CB 4.43Å; L197-R200 WeakPolarHBondContact O-CB 3.14Å; L197-R200 PolarHBondContact O-N 2.82Å; K198-R200 VanDerWaalsContact C-N 3.33Å; K198-R200 PolarHBondContact O-N 3.12Å; R200-T202 PolarHBondContact O-N 2.82Å; R200-H203 CarbonylContact O-C 3.54Å; R200-H203 WeakPolarHBondContact O-CA 3.3Å; R200-H203 PolarHBondContact O-N 2.97Å; R200-T204 WeakPolarHBondContact O-CG2 3.3Å; R200-T204 PolarHBondContact O-N 2.94Å
201	I	40	Very low	43.4	Very low	29 Å²	29	71.8 Å²	71.8	15%	0.149	38%	0.376	C	S	.	.	H	α-helix	trans	-62.1	-28	-175	-70.9	174.9	0	0	0	113	L197 K198 E199 T204 I316 E320 L323	L197-I201 HydrophobicContact CD1-CD1 3.8Å; L197-I201 HydrophobicContact CD1-CG1 4.01Å; L197-I201 HydrophobicContact CD2-CD1 4.46Å; L197-I201 HydrophobicContact CG-CD1 3.93Å; L197-I201 HydrophobicContact CG-CG1 4.48Å; L197-I201 WeakPolarHBondContact O-CG1 3.4Å; L197-I201 PolarHBondContact O-N 2.82Å; K198-I201 PolarHBondContact O-N 2.62Å; E199-I201 PolarHBondContact O-N 3.25Å; I201-T204 WeakPolarHBondContact CA-OG1 3.24Å; I201-T204 PolarHBondContact O-OG1 2.56Å; I201-T204 VanDerWaalsContact O-OG1 3.07Å; I201-I316 HydrophobicContact CG2-CG2 3.73Å; I201-E320 HydrophobicContact CD1-CB 3.66Å; I201-E320 HydrophobicContact CD1-CG 3.84Å; I201-L323 HydrophobicContact CD1-CD1 4.28Å; I201-L323 HydrophobicContact CG1-CD1 4.33Å
202	T	39.7	Very low	45.3	Very low	98 Å²	98	72.8 Å²	72.8	60%	0.601	38%	0.376	S	S	*	.	H	α-helix	trans	-78.4	-28	171.9	51.9	0	0	0	0	113.9	K198 E199 R200	K198-T202 PolarHBondContact O-N 2.66Å; K198-T202 PolarHBondContact O-OG1 2.74Å; E199-T202 WeakPolarHBondContact CA-OG1 3.45Å; E199-T202 PolarHBondContact O-N 3.29Å; E199-T202 PolarHBondContact O-OG1 3.18Å; R200-T202 PolarHBondContact O-N 2.82Å
203	H	38.7	Very low	47.3	Very low	126 Å²	126	69.2 Å²	69.2	58%	0.583	35%	0.352	S	S	*	.	H	α-helix	trans	-85.6	-18.1	172.5	-80.4	-109.2	0	0	0	112.9	E199 R200 Q205	E199-H203 WeakPolarHBondContact O-CB 3.45Å; E199-H203 PolarHBondContact O-CD2 2.77Å; E199-H203 PolarHBondContact O-N 2.75Å; R200-H203 CarbonylContact O-C 3.54Å; R200-H203 WeakPolarHBondContact O-CA 3.3Å; R200-H203 PolarHBondContact O-N 2.97Å; H203-Q205 PolarHBondContact O-N 2.98Å
204	T	41.1	Very low	49.2	Very low	17 Å²	17	63.7 Å²	63.7	10%	0.104	33%	0.331	C	S	.	.			trans	-73.9	70.1	174.2	70.5	0	0	0	0	110.4	R200 I201 N206 G228 F230	R200-T204 WeakPolarHBondContact O-CG2 3.3Å; R200-T204 PolarHBondContact O-N 2.94Å; I201-T204 WeakPolarHBondContact CA-OG1 3.24Å; I201-T204 PolarHBondContact O-OG1 2.56Å; I201-T204 VanDerWaalsContact O-OG1 3.07Å; T204-N206 PolarHBondContact O-N 2.99Å; T204-N206 VanDerWaalsContact O-N 3.1Å; T204-G228 WeakPolarHBondContact CG2-O 3.19Å; T204-F230 HydrophobicContact CG2-CD2 4.21Å; T204-F230 HydrophobicContact CG2-CE2 3.65Å; T204-F230 HydrophobicContact CG2-CZ 4.31Å
205	Q	45.6	Very low	51.1	Low	91 Å²	91	65.9 Å²	65.9	43%	0.425	33%	0.332	S	S	.	.			trans	-59.3	-26.2	-173.3	-69.6	-179.9	-10.6	0	0	113.2	H203	H203-Q205 PolarHBondContact O-N 2.98Å
206	N	48.1	Very low	52.5	Low	62 Å²	62	69.5 Å²	69.5	33%	0.332	35%	0.349	S	S	.	.			trans	-139.1	130.6	-178.9	-70.5	-68.4	0	0	0	113.2	T204 W208	T204-N206 PolarHBondContact O-N 2.99Å; T204-N206 VanDerWaalsContact O-N 3.1Å; N206-W208 HydrophobicContact CB-CD2 4.17Å; N206-W208 HydrophobicContact CB-CG 4.29Å; N206-W208 HydrophobicContact CB-CZ2 3.99Å; N206-W208 VanDerWaalsContact CB-NE1 3.27Å
207	I	52.4	Low	53.9	Low	56 Å²	56	70.6 Å²	70.6	29%	0.287	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	98.3	164.4	-59.3	146.9	0	0	0	106.8	C209 F230 V232 L315 L319	I207-C209 PolarHBondContact O-N 3.35Å; I207-F230 HydrophobicContact CG1-CB 4.4Å; I207-F230 HydrophobicContact CG1-CD2 3.99Å; I207-F230 HydrophobicContact CG2-CB 4.23Å; I207-V232 HydrophobicContact CG2-CG2 4.12Å; I207-L315 HydrophobicContact CD1-CD2 4.22Å; I207-L319 HydrophobicContact CD1-CD1 3.33Å; I207-L319 HydrophobicContact CG1-CD1 3.84Å
208	W	53.7	Low	55.5	Low	104 Å²	104	69.5 Å²	69.5	39%	0.394	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	107.1	-169.9	-66.7	99.3	0	0	0	111.6	N206 L210 F230 I231 V232 F2446	N206-W208 HydrophobicContact CB-CD2 4.17Å; N206-W208 HydrophobicContact CB-CG 4.29Å; N206-W208 HydrophobicContact CB-CZ2 3.99Å; N206-W208 VanDerWaalsContact CB-NE1 3.27Å; W208-L210 HydrophobicContact CB-CD1 4.09Å; W208-L210 HydrophobicContact CB-CG 4.12Å; W208-L210 PolarHBondContact O-N 3.05Å; W208-F230 PolarHBondContact N-O 3.31Å; W208-I231 HydrophobicContact CB-CG1 4.32Å; W208-I231 CarbonylContact O-C 3.27Å; W208-I231 WeakPolarHBondContact O-CA 3.4Å; W208-V232 PolarHBondContact O-N 2.89Å; W208-F2446 HydrophobicContact CZ2-CD2 4.13Å; W208-F2446 HydrophobicContact CZ2-CE2 4.15Å; W208-F2446 AromaticContact NE1-CE2 3.69Å; W208-F2446 AromaticContact NE1-CZ 3.64Å
209	C	61.6	Low	57.1	Low	80 Å²	80	65.9 Å²	65.9	54%	0.541	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	92.9	171.7	-167.9	0	0	0	0	110.2	I207 P211 V232	I207-C209 PolarHBondContact O-N 3.35Å; C209-P211 VanDerWaalsContact O-CD 3.26Å; C209-P211 WeakPolarHBondContact O-CD 3.41Å; C209-V232 CarbonylContact C-O 3.01Å; C209-V232 WeakPolarHBondContact CA-O 3.47Å
210	L	70.3	Confident	58.4	Low	58 Å²	58	69.9 Å²	69.9	30%	0.304	35%	0.346	S	S	.	.			trans	-114.3	76.2	-177.7	-63	174.5	0	0	0	109.2	W208 N212 L213 L221 I231 V232 R233	W208-L210 HydrophobicContact CB-CD1 4.09Å; W208-L210 HydrophobicContact CB-CG 4.12Å; W208-L210 PolarHBondContact O-N 3.05Å; L210-N212 VanDerWaalsContact C-N 3.29Å; L210-N212 PolarHBondContact O-N 3.35Å; L210-L213 HydrophobicContact CB-CB 4.09Å; L210-L213 HydrophobicContact CB-CD2 4.48Å; L210-L213 HydrophobicContact CD1-CD2 4.18Å; L210-L213 WeakPolarHBondContact O-CB 3.08Å; L210-L213 PolarHBondContact O-N 2.86Å; L210-L221 HydrophobicContact CD1-CD1 4.48Å; L210-I231 HydrophobicContact CB-CG2 4.23Å; L210-I231 HydrophobicContact CD1-CG2 4.34Å; L210-V232 CarbonylContact C-O 3.53Å; L210-V232 PolarHBondContact N-O 2.8Å; L210-R233 WeakPolarHBondContact O-CA 3.5Å; L210-R233 WeakPolarHBondContact O-CB 3.32Å
211	P	55.4	Low	59.8	Low	45 Å²	45	71.1 Å²	71.1	29%	0.292	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-33.9	-166.5	22.5	-34.5	0	0	0	114	C209 L213 V234	C209-P211 VanDerWaalsContact O-CD 3.26Å; C209-P211 WeakPolarHBondContact O-CD 3.41Å; P211-L213 VanDerWaalsContact C-N 3.35Å; P211-V234 HydrophobicContact CB-CG2 3.65Å; P211-V234 VanDerWaalsContact O-CB 3.3Å; P211-V234 WeakPolarHBondContact O-CB 3.48Å; P211-V234 PolarHBondContact O-N 2.87Å
212	N	65.3	Low	61.4	Low	90 Å²	90	70 Å²	70	48%	0.481	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-3	-174.4	-62.5	16.5	0	0	0	113.8	L210 I2369	L210-N212 VanDerWaalsContact C-N 3.29Å; L210-N212 PolarHBondContact O-N 3.35Å; N212-I2369 WeakPolarHBondContact ND2-CG1 3.31Å
213	L	71.3	Confident	62.7	Low	19 Å²	19	67.8 Å²	67.8	10%	0.099	33%	0.333	C	S	.	.			trans	-72.7	130.9	-171.9	-152.9	77	0	0	0	110.8	L210 P211 E217 L221 I231 R233	L210-L213 HydrophobicContact CB-CB 4.09Å; L210-L213 HydrophobicContact CB-CD2 4.48Å; L210-L213 HydrophobicContact CD1-CD2 4.18Å; L210-L213 WeakPolarHBondContact O-CB 3.08Å; L210-L213 PolarHBondContact O-N 2.86Å; P211-L213 VanDerWaalsContact C-N 3.35Å; L213-E217 HydrophobicContact CD1-CB 3.92Å; L213-E217 HydrophobicContact CD2-CB 4.27Å; L213-E217 HydrophobicContact CG-CB 3.74Å; L213-L221 HydrophobicContact CD1-CD1 4.38Å; L213-L221 HydrophobicContact CD2-CD1 3.87Å; L213-I231 HydrophobicContact CD2-CD1 4.12Å; L213-I231 HydrophobicContact CD2-CG2 4.12Å; L213-R233 HydrophobicContact CB-CB 4.38Å; L213-R233 WeakPolarHBondContact O-CD 3.29Å
214	S	71.1	Confident	63.7	Low	24 Å²	24	69.2 Å²	69.2	17%	0.168	34%	0.338	C	S	.	.			trans	-68.6	170	176.6	68.2	0	0	0	0	112.2	E217 S218	S214-E217 WeakPolarHBondContact CB-OE2 3.49Å; S214-E217 PolarHBondContact N-OE2 3.22Å; S214-E217 WeakPolarHBondContact OG-CB 3.22Å; S214-E217 VanDerWaalsContact OG-CG 3.26Å; S214-E217 WeakPolarHBondContact OG-CG 3.47Å; S214-E217 PolarHBondContact OG-N 3.49Å; S214-E217 PolarHBondContact OG-OE2 3.1Å; S214-S218 WeakPolarHBondContact O-CB 3.49Å; S214-S218 PolarHBondContact O-N 3.22Å; S214-S218 VanDerWaalsContact O-N 3.07Å; S214-S218 PolarHBondContact O-OG 3.1Å
215	R	75.6	Confident	64.7	Low	140 Å²	140	69 Å²	69	53%	0.528	34%	0.338	S	S	.	.	H	α-helix	trans	-57.8	-53.5	173	-178.2	-179.7	168.9	-160.9	-10.4	111	E217 S218 E219 H289	R215-E217 PolarHBondContact O-N 3.21Å; R215-S218 CarbonylContact O-C 3.56Å; R215-S218 WeakPolarHBondContact O-CA 3.35Å; R215-S218 WeakPolarHBondContact O-CB 3.48Å; R215-S218 PolarHBondContact O-N 3.45Å; R215-S218 PolarHBondContact O-OG 3.13Å; R215-E219 WeakPolarHBondContact CG-OE2 3.09Å; R215-E219 IonicContact CZ-OE1 3.54Å; R215-E219 IonicContact NE-OE1 3.7Å; R215-E219 PolarHBondContact NE-OE1 3.27Å; R215-E219 IonicContact NE-OE2 3.69Å; R215-E219 PolarHBondContact NE-OE2 3.26Å; R215-E219 IonicContact NH2-OE1 3.91Å; R215-E219 PolarHBondContact NH2-OE1 3.33Å; R215-E219 PolarHBondContact O-N 2.91Å; R215-H289 WeakPolarHBondContact CG-NE2 3.45Å; R215-H289 PolarHBondContact NE-CD2 3.45Å; R215-H289 PolarHBondContact NE-NE2 3.46Å; R215-H289 VanDerWaalsContact NE-NE2 3.11Å
216	L	69.6	Low	65	Low	117 Å²	117	68.7 Å²	68.7	61%	0.613	34%	0.336	S	S	*	.	H	α-helix	trans	-64.6	-39.1	-173.5	-163.6	74.4	0	0	0	112.4	S218 E219 K220	L216-S218 VanDerWaalsContact C-N 3.35Å; L216-E219 PolarHBondContact O-N 3.25Å; L216-K220 PolarHBondContact O-N 3.47Å
217	E	69	Low	65.4	Low	80 Å²	80	67.4 Å²	67.4	37%	0.374	33%	0.329	S	S	.	.	H	α-helix	trans	-65.6	-36.9	172	-71.3	168	110.4	0	0	112.3	L213 S214 R215 E219 L221	L213-E217 HydrophobicContact CD1-CB 3.92Å; L213-E217 HydrophobicContact CD2-CB 4.27Å; L213-E217 HydrophobicContact CG-CB 3.74Å; S214-E217 WeakPolarHBondContact CB-OE2 3.49Å; S214-E217 PolarHBondContact N-OE2 3.22Å; S214-E217 WeakPolarHBondContact OG-CB 3.22Å; S214-E217 VanDerWaalsContact OG-CG 3.26Å; S214-E217 WeakPolarHBondContact OG-CG 3.47Å; S214-E217 PolarHBondContact OG-N 3.49Å; S214-E217 PolarHBondContact OG-OE2 3.1Å; R215-E217 PolarHBondContact O-N 3.21Å; E217-E219 VanDerWaalsContact C-N 3.29Å; E217-L221 WeakPolarHBondContact O-CB 3.49Å; E217-L221 WeakPolarHBondContact O-CG 3.34Å; E217-L221 PolarHBondContact O-N 3.05Å
218	S	71.3	Confident	65.3	Low	0 Å²	0	65 Å²	65	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-70.7	-26	176.1	76.3	0	0	0	0	113.1	S214 R215 L216 L222 R233 H289	S214-S218 WeakPolarHBondContact O-CB 3.49Å; S214-S218 PolarHBondContact O-N 3.22Å; S214-S218 VanDerWaalsContact O-N 3.07Å; S214-S218 PolarHBondContact O-OG 3.1Å; R215-S218 CarbonylContact O-C 3.56Å; R215-S218 WeakPolarHBondContact O-CA 3.35Å; R215-S218 WeakPolarHBondContact O-CB 3.48Å; R215-S218 PolarHBondContact O-N 3.45Å; R215-S218 PolarHBondContact O-OG 3.13Å; L216-S218 VanDerWaalsContact C-N 3.35Å; S218-L222 WeakPolarHBondContact O-CB 2.97Å; S218-L222 WeakPolarHBondContact O-CD1 3.15Å; S218-L222 WeakPolarHBondContact O-CG 3.09Å; S218-R233 PolarHBondContact OG-NE 2.9Å; S218-H289 PolarHBondContact OG-CE1 2.87Å
219	E	73.8	Confident	65.6	Low	39 Å²	39	61.1 Å²	61.1	18%	0.182	31%	0.305	C	S	.	.	H	α-helix	trans	-75	-52.5	171	-72.6	165.9	144.2	0	0	109.8	R215 L216 E217 L221 L222 E223 I287 H289	R215-E219 WeakPolarHBondContact CG-OE2 3.09Å; R215-E219 IonicContact CZ-OE1 3.54Å; R215-E219 IonicContact NE-OE1 3.7Å; R215-E219 PolarHBondContact NE-OE1 3.27Å; R215-E219 IonicContact NE-OE2 3.69Å; R215-E219 PolarHBondContact NE-OE2 3.26Å; R215-E219 IonicContact NH2-OE1 3.91Å; R215-E219 PolarHBondContact NH2-OE1 3.33Å; R215-E219 PolarHBondContact O-N 2.91Å; L216-E219 PolarHBondContact O-N 3.25Å; E217-E219 VanDerWaalsContact C-N 3.29Å; E219-L221 VanDerWaalsContact C-N 3.35Å; E219-L221 PolarHBondContact O-N 3.18Å; E219-L222 CarbonylContact O-C 3.34Å; E219-L222 WeakPolarHBondContact O-CA 3.34Å; E219-L222 PolarHBondContact O-N 3.15Å; E219-E223 PolarHBondContact O-N 3.17Å; E219-I287 HydrophobicContact CB-CD1 4.09Å; E219-I287 HydrophobicContact CG-CD1 4.31Å; E219-I287 HydrophobicContact CG-CG2 4.23Å; E219-I287 VanDerWaalsContact O-CD1 3.29Å; E219-I287 WeakPolarHBondContact O-CD1 3.34Å; E219-H289 IonicContact OE1-NE2 2.75Å; E219-H289 PolarHBondContact OE1-NE2 3.23Å; E219-H289 VanDerWaalsContact OE1-NE2 3.09Å
220	K	71.6	Confident	65.9	Low	141 Å²	141	57.6 Å²	57.6	61%	0.613	28%	0.281	S	S	*	.	H	α-helix	trans	-59.3	-36	177.9	-74.9	-164.2	169.1	-167.9	0	114.7	L216 L222	L216-K220 PolarHBondContact O-N 3.47Å; K220-L222 PolarHBondContact O-N 3.33Å
221	L	70	Confident	65.9	Low	77 Å²	77	55 Å²	55	40%	0.403	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-11.9	174.3	-75.9	-174	0	0	0	113.9	L210 L213 E217 E219 I231	L210-L221 HydrophobicContact CD1-CD1 4.48Å; L213-L221 HydrophobicContact CD1-CD1 4.38Å; L213-L221 HydrophobicContact CD2-CD1 3.87Å; E217-L221 WeakPolarHBondContact O-CB 3.49Å; E217-L221 WeakPolarHBondContact O-CG 3.34Å; E217-L221 PolarHBondContact O-N 3.05Å; E219-L221 VanDerWaalsContact C-N 3.35Å; E219-L221 PolarHBondContact O-N 3.18Å; L221-I231 HydrophobicContact CB-CD1 3.96Å; L221-I231 HydrophobicContact CD1-CD1 4.37Å
222	L	73.9	Confident	66.5	Low	5 Å²	5	53.7 Å²	53.7	3%	0.026	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.4	-8.9	-178.8	-69.7	177.3	0	0	0	113.4	S218 E219 K220 F224 A225 N229 I231 T244 V246 I287	S218-L222 WeakPolarHBondContact O-CB 2.97Å; S218-L222 WeakPolarHBondContact O-CD1 3.15Å; S218-L222 WeakPolarHBondContact O-CG 3.09Å; E219-L222 CarbonylContact O-C 3.34Å; E219-L222 WeakPolarHBondContact O-CA 3.34Å; E219-L222 PolarHBondContact O-N 3.15Å; K220-L222 PolarHBondContact O-N 3.33Å; L222-F224 PolarHBondContact O-N 2.63Å; L222-A225 HydrophobicContact CB-CB 4.5Å; L222-A225 HydrophobicContact CD2-CB 3.81Å; L222-A225 PolarHBondContact O-N 2.83Å; L222-N229 HydrophobicContact CD2-CB 3.6Å; L222-I231 HydrophobicContact CD1-CB 4.32Å; L222-I231 HydrophobicContact CD1-CD1 3.85Å; L222-I231 HydrophobicContact CD1-CG1 3.99Å; L222-I231 HydrophobicContact CD2-CD1 4.1Å; L222-I231 HydrophobicContact CD2-CG1 4.22Å; L222-I231 HydrophobicContact CG-CD1 3.72Å; L222-I231 HydrophobicContact CG-CG1 4.2Å; L222-T244 HydrophobicContact CD1-CG2 3.61Å; L222-V246 HydrophobicContact CB-CG2 3.73Å; L222-V246 HydrophobicContact CD2-CG2 4.15Å; L222-V246 HydrophobicContact CG-CG2 4.38Å; L222-V246 WeakPolarHBondContact O-CG2 3.3Å; L222-I287 HydrophobicContact CB-CD1 4.01Å
223	E	67	Low	66.8	Low	52 Å²	52	50 Å²	50	24%	0.243	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-39.3	178.6	-167.4	170.5	171.4	0	0	113.1	E219 Y284	E219-E223 PolarHBondContact O-N 3.17Å; E223-Y284 HydrophobicContact CG-CD1 4.33Å; E223-Y284 HydrophobicContact CG-CE1 3.69Å; E223-Y284 VanDerWaalsContact OE1-CE1 3.26Å; E223-Y284 WeakPolarHBondContact OE1-CE1 3.14Å; E223-Y284 PolarHBondContact OE1-OH 3.44Å
224	F	60.8	Low	66.5	Low	157 Å²	157	51.7 Å²	51.7	69%	0.689	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112	12.7	177.6	-53.7	-76	0	0	0	113.3	L222	L222-F224 PolarHBondContact O-N 2.63Å
225	A	62.2	Low	66.3	Low	12 Å²	12	51.9 Å²	51.9	10%	0.099	25%	0.247	C	C	.	.			trans	-92.1	148.1	-177.1	0	0	0	0	0	111.8	L222 N229 V246	L222-A225 HydrophobicContact CB-CB 4.5Å; L222-A225 HydrophobicContact CD2-CB 3.81Å; L222-A225 PolarHBondContact O-N 2.83Å; A225-N229 HydrophobicContact CB-CB 3.88Å; A225-V246 HydrophobicContact CB-CG2 4.21Å
226	E	52.2	Low	65.7	Low	85 Å²	85	51.6 Å²	51.6	40%	0.397	25%	0.252	S	S	.	.			trans	-67.8	154	178.9	-86.2	-164	156.3	0	0	114.1	G228 N229 R2449	E226-G228 PolarHBondContact O-N 2.97Å; E226-N229 PolarHBondContact N-ND2 3.48Å; E226-N229 PolarHBondContact O-N 3.14Å; E226-N229 PolarHBondContact O-ND2 3.37Å; E226-R2449 IonicContact OE1-CZ 3.19Å; E226-R2449 IonicContact OE1-NH1 2.7Å; E226-R2449 PolarHBondContact OE1-NH1 3.25Å; E226-R2449 IonicContact OE1-NH2 2.69Å; E226-R2449 PolarHBondContact OE1-NH2 3.4Å; E226-R2449 IonicContact OE2-CZ 3.4Å; E226-R2449 IonicContact OE2-NH1 3.09Å; E226-R2449 PolarHBondContact OE2-NH1 2.87Å; E226-R2449 IonicContact OE2-NH2 2.71Å
227	I	55	Low	64.8	Low	35 Å²	35	54.4 Å²	54.4	18%	0.179	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	102.9	171.4	-60.7	164.3	0	0	0	110	V246 P248 L285	I227-V246 HydrophobicContact CG1-CG1 4.28Å; I227-P248 HydrophobicContact CD1-CB 3.85Å; I227-P248 HydrophobicContact CD1-CG 4.29Å; I227-P248 HydrophobicContact CG1-CB 4.5Å; I227-P248 HydrophobicContact CG2-CB 4.48Å; I227-P248 HydrophobicContact CG2-CG 3.76Å; I227-L285 HydrophobicContact CD1-CD2 4.47Å; I227-L285 HydrophobicContact CG1-CD1 4.22Å
228	G	50.3	Low	63.6	Low	6 Å²	6	55.7 Å²	55.7	6%	0.062	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	129.1	-16.5	-174.5	0	0	0	0	0	113.8	T204 E226 F230	T204-G228 WeakPolarHBondContact CG2-O 3.19Å; E226-G228 PolarHBondContact O-N 2.97Å; G228-F230 WeakPolarHBondContact O-CD2 3.21Å; G228-F230 VanDerWaalsContact O-CE2 3.26Å; G228-F230 WeakPolarHBondContact O-CE2 3.45Å; G228-F230 WeakPolarHBondContact O-CG 3.46Å; G228-F230 PolarHBondContact O-N 2.8Å
229	N	61.6	Low	62.5	Low	22 Å²	22	61.1 Å²	61.1	12%	0.118	31%	0.31	C	S	.	.			trans	-66.1	129.5	173.1	-75.8	-73.9	0	0	0	111.1	L222 A225 E226 R245 F2446	L222-N229 HydrophobicContact CD2-CB 3.6Å; A225-N229 HydrophobicContact CB-CB 3.88Å; E226-N229 PolarHBondContact N-ND2 3.48Å; E226-N229 PolarHBondContact O-N 3.14Å; E226-N229 PolarHBondContact O-ND2 3.37Å; N229-R245 WeakPolarHBondContact O-CA 3.35Å; N229-F2446 WeakPolarHBondContact OD1-CZ 3.43Å
230	F	66.7	Low	61.3	Low	6 Å²	6	59.8 Å²	59.8	3%	0.026	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	119.9	-170.6	-65.6	-49.7	0	0	0	110.7	T204 I207 W208 G228 L243 R245 L319 L323	T204-F230 HydrophobicContact CG2-CD2 4.21Å; T204-F230 HydrophobicContact CG2-CE2 3.65Å; T204-F230 HydrophobicContact CG2-CZ 4.31Å; I207-F230 HydrophobicContact CG1-CB 4.4Å; I207-F230 HydrophobicContact CG1-CD2 3.99Å; I207-F230 HydrophobicContact CG2-CB 4.23Å; W208-F230 PolarHBondContact N-O 3.31Å; G228-F230 WeakPolarHBondContact O-CD2 3.21Å; G228-F230 VanDerWaalsContact O-CE2 3.26Å; G228-F230 WeakPolarHBondContact O-CE2 3.45Å; G228-F230 WeakPolarHBondContact O-CG 3.46Å; G228-F230 PolarHBondContact O-N 2.8Å; F230-L243 HydrophobicContact CB-CD1 3.93Å; F230-L243 HydrophobicContact CD1-CD1 4.03Å; F230-L243 HydrophobicContact CD1-CG 4.45Å; F230-L243 HydrophobicContact CG-CD1 4.2Å; F230-R245 HydrophobicContact CD1-CB 3.62Å; F230-R245 HydrophobicContact CE1-CB 3.8Å; F230-L319 HydrophobicContact CD2-CD1 4.47Å; F230-L319 HydrophobicContact CE2-CD2 4.5Å; F230-L323 HydrophobicContact CE2-CD1 4.31Å; F230-L323 HydrophobicContact CZ-CD1 3.71Å; F230-L323 HydrophobicContact CZ-CD2 4.34Å
231	I	69.9	Low	60.5	Low	4 Å²	4	55.4 Å²	55.4	2%	0.021	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	120.3	169.4	-62.8	177.1	0	0	0	109	W208 L210 L213 L221 L222 R233 T244	W208-I231 HydrophobicContact CB-CG1 4.32Å; W208-I231 CarbonylContact O-C 3.27Å; W208-I231 WeakPolarHBondContact O-CA 3.4Å; L210-I231 HydrophobicContact CB-CG2 4.23Å; L210-I231 HydrophobicContact CD1-CG2 4.34Å; L213-I231 HydrophobicContact CD2-CD1 4.12Å; L213-I231 HydrophobicContact CD2-CG2 4.12Å; L221-I231 HydrophobicContact CB-CD1 3.96Å; L221-I231 HydrophobicContact CD1-CD1 4.37Å; L222-I231 HydrophobicContact CD1-CB 4.32Å; L222-I231 HydrophobicContact CD1-CD1 3.85Å; L222-I231 HydrophobicContact CD1-CG1 3.99Å; L222-I231 HydrophobicContact CD2-CD1 4.1Å; L222-I231 HydrophobicContact CD2-CG1 4.22Å; L222-I231 HydrophobicContact CG-CD1 3.72Å; L222-I231 HydrophobicContact CG-CG1 4.2Å; I231-R233 HydrophobicContact CG2-CB 4.44Å; I231-T244 PolarHBondContact N-O 3.11Å; I231-T244 PolarHBondContact O-N 3.12Å
232	V	68.6	Low	60.2	Low	16 Å²	16	52 Å²	52	10%	0.097	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	110.3	169.9	-176	0	0	0	0	108.5	I207 W208 C209 L210 M241 V242 L243 I292	I207-V232 HydrophobicContact CG2-CG2 4.12Å; W208-V232 PolarHBondContact O-N 2.89Å; C209-V232 CarbonylContact C-O 3.01Å; C209-V232 WeakPolarHBondContact CA-O 3.47Å; L210-V232 CarbonylContact C-O 3.53Å; L210-V232 PolarHBondContact N-O 2.8Å; V232-M241 HydrophobicContact CG1-CB 4.35Å; V232-M241 HydrophobicContact CG1-CE 3.42Å; V232-M241 VanDerWaalsContact CG1-CE 3.42Å; V232-M241 HydrophobicContact CG1-SD 3.92Å; V232-V242 WeakPolarHBondContact CA-O 3.47Å; V232-L243 HydrophobicContact CG2-CD1 3.79Å; V232-I292 HydrophobicContact CG1-CD1 4.33Å
233	R	71.9	Confident	60.2	Low	13 Å²	13	52 Å²	52	5%	0.049	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	161.9	179.3	64.3	-171.4	-178.5	79.4	0.2	111.1	L210 L213 S218 I231 M241 V242 T244 H289	L210-R233 WeakPolarHBondContact O-CA 3.5Å; L210-R233 WeakPolarHBondContact O-CB 3.32Å; L213-R233 HydrophobicContact CB-CB 4.38Å; L213-R233 WeakPolarHBondContact O-CD 3.29Å; S218-R233 PolarHBondContact OG-NE 2.9Å; I231-R233 HydrophobicContact CG2-CB 4.44Å; R233-M241 CarbonylContact O-C 3.32Å; R233-M241 WeakPolarHBondContact O-CA 3.06Å; R233-V242 HydrophobicContact CG-CB 4.16Å; R233-V242 PolarHBondContact N-O 3.09Å; R233-V242 PolarHBondContact O-N 3.35Å; R233-T244 PolarHBondContact NE-OG1 3.22Å; R233-H289 PolarHBondContact NH2-CE1 3.49Å; R233-H289 PolarHBondContact NH2-ND1 3.05Å
234	V	64.6	Low	60.5	Low	54 Å²	54	49.5 Å²	49.5	33%	0.327	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	142.2	169.9	-178.8	0	0	0	0	108.2	P211 M241	P211-V234 HydrophobicContact CB-CG2 3.65Å; P211-V234 VanDerWaalsContact O-CB 3.3Å; P211-V234 WeakPolarHBondContact O-CB 3.48Å; P211-V234 PolarHBondContact O-N 2.87Å; V234-M241 HydrophobicContact CG2-SD 4.05Å
235	N	66.2	Low	60.9	Low	28 Å²	28	44.2 Å²	44.2	15%	0.15	23%	0.233	C	C	.	.			trans	-72.5	126.3	169.7	174.4	17.7	0	0	0	109.2	Q237 N238 S240 V242	N235-Q237 PolarHBondContact O-N 3.42Å; N235-Q237 PolarHBondContact OD1-N 3.19Å; N235-Q237 VanDerWaalsContact OD1-N 3.09Å; N235-N238 VanDerWaalsContact CB-O 3.26Å; N235-N238 WeakPolarHBondContact CB-O 3.22Å; N235-N238 PolarHBondContact ND2-N 3.45Å; N235-S240 PolarHBondContact N-O 2.82Å; N235-V242 HydrophobicContact CB-CG2 3.77Å
236	Q	63.8	Low	60.9	Low	135 Å²	135	43.9 Å²	43.9	63%	0.631	23%	0.23	S	C	*	.	S	Bend	trans	-72.7	-14.5	-177.7	-69	170.6	-47.8	0	0	113.2
237	Q	50.5	Low	60.9	Low	175 Å²	175	40.2 Å²	40.2	82%	0.818	21%	0.214	S	C	*	.	S	Bend	trans	-96.7	-44.2	-180	-68.3	176.8	-34.8	0	0	113.2	N235	N235-Q237 PolarHBondContact O-N 3.42Å; N235-Q237 PolarHBondContact OD1-N 3.19Å; N235-Q237 VanDerWaalsContact OD1-N 3.09Å
238	N	43.3	Very low	60.2	Low	107 Å²	107	39.5 Å²	39.5	57%	0.572	21%	0.211	S	C	*	.	S	Bend	trans	-125.4	141.7	178.5	-56.5	4.1	0	0	0	108.4	N235 S240	N235-N238 VanDerWaalsContact CB-O 3.26Å; N235-N238 WeakPolarHBondContact CB-O 3.22Å; N235-N238 PolarHBondContact ND2-N 3.45Å; N238-S240 PolarHBondContact O-N 3.04Å
239	S	48.8	Very low	59.7	Low	115 Å²	115	42 Å²	42	80%	0.804	23%	0.226	S	C	*	.	S	Bend	trans	-70.1	46.6	-174.2	-52.4	0	0	0	0	116
240	S	47.9	Very low	58.3	Low	11 Å²	11	45.5 Å²	45.5	8%	0.077	25%	0.249	C	C	.	.			trans	-114.1	167	178.8	60.3	0	0	0	0	111.6	N235 N238	N235-S240 PolarHBondContact N-O 2.82Å; N238-S240 PolarHBondContact O-N 3.04Å
241	M	55	Low	56.4	Low	48 Å²	48	50 Å²	50	24%	0.236	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	153.6	178.3	-69.7	-97.9	-90.2	0	0	110.4	V232 R233 V234 I292 I294	V232-M241 HydrophobicContact CG1-CB 4.35Å; V232-M241 HydrophobicContact CG1-CE 3.42Å; V232-M241 VanDerWaalsContact CG1-CE 3.42Å; V232-M241 HydrophobicContact CG1-SD 3.92Å; R233-M241 CarbonylContact O-C 3.32Å; R233-M241 WeakPolarHBondContact O-CA 3.06Å; V234-M241 HydrophobicContact CG2-SD 4.05Å; M241-I292 HydrophobicContact CB-CB 4.42Å; M241-I292 PolarHBondContact N-O 3.21Å; M241-I292 CarbonylContact O-C 3.54Å; M241-I292 PolarHBondContact O-N 3.45Å; M241-I292 VanDerWaalsContact O-O 3.07Å; M241-I294 HydrophobicContact CE-CD1 4.35Å
242	V	65.1	Low	54.3	Low	5 Å²	5	55.7 Å²	55.7	3%	0.03	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	120.6	-177.2	178.2	0	0	0	0	109.5	V232 R233 N235 T244 H289 N290 L291	V232-V242 WeakPolarHBondContact CA-O 3.47Å; R233-V242 HydrophobicContact CG-CB 4.16Å; R233-V242 PolarHBondContact N-O 3.09Å; R233-V242 PolarHBondContact O-N 3.35Å; N235-V242 HydrophobicContact CB-CG2 3.77Å; V242-T244 PolarHBondContact O-N 3.42Å; V242-H289 HydrophobicContact CG1-CB 3.79Å; V242-N290 CarbonylContact C-O 3.55Å; V242-N290 WeakPolarHBondContact CA-O 3.23Å; V242-L291 HydrophobicContact CG2-CD1 3.83Å; V242-L291 HydrophobicContact CG2-CG 4.35Å
243	L	72	Confident	52.3	Low	5 Å²	5	63 Å²	63	3%	0.026	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	104	168.8	-176.1	67.1	0	0	0	108.8	F230 V232 N290 I292 L319 L334	F230-L243 HydrophobicContact CB-CD1 3.93Å; F230-L243 HydrophobicContact CD1-CD1 4.03Å; F230-L243 HydrophobicContact CD1-CG 4.45Å; F230-L243 HydrophobicContact CG-CD1 4.2Å; V232-L243 HydrophobicContact CG2-CD1 3.79Å; L243-N290 HydrophobicContact CB-CB 4.5Å; L243-N290 PolarHBondContact N-O 2.75Å; L243-N290 PolarHBondContact O-N 3.49Å; L243-I292 HydrophobicContact CB-CD1 3.82Å; L243-I292 HydrophobicContact CB-CG1 3.95Å; L243-L319 HydrophobicContact CD2-CD2 4.03Å; L243-L334 HydrophobicContact CD2-CD1 4.39Å
244	T	73.6	Confident	50	Low	0 Å²	0	71.8 Å²	71.8	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	131	166.8	-49.5	0	0	0	0	108.7	L222 I231 R233 V242 I287 K288 H289	L222-T244 HydrophobicContact CD1-CG2 3.61Å; I231-T244 PolarHBondContact N-O 3.11Å; I231-T244 PolarHBondContact O-N 3.12Å; R233-T244 PolarHBondContact NE-OG1 3.22Å; V242-T244 PolarHBondContact O-N 3.42Å; T244-I287 HydrophobicContact CG2-CG2 3.48Å; T244-I287 VanDerWaalsContact CG2-CG2 3.48Å; T244-K288 WeakPolarHBondContact CA-O 3.49Å; T244-H289 WeakPolarHBondContact CG2-CE1 2.98Å; T244-H289 WeakPolarHBondContact CG2-ND1 3.28Å; T244-H289 PolarHBondContact OG1-ND1 3.43Å
245	R	69	Low	48	Very low	47 Å²	47	74.3 Å²	74.3	18%	0.177	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	145	-179.7	75	-174.6	-172.3	-168.9	3.2	112.2	N229 F230 C247 I287 K288	N229-R245 WeakPolarHBondContact O-CA 3.35Å; F230-R245 HydrophobicContact CD1-CB 3.62Å; F230-R245 HydrophobicContact CE1-CB 3.8Å; R245-C247 PolarHBondContact NE-SG 3.5Å; R245-C247 PolarHBondContact O-N 3.4Å; R245-I287 WeakPolarHBondContact O-CA 3.38Å; R245-K288 PolarHBondContact N-O 3.07Å; R245-K288 PolarHBondContact O-N 3.39Å
246	V	63.8	Low	46.1	Very low	4 Å²	4	77.8 Å²	77.8	2%	0.024	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	121.7	163.4	-174.9	0	0	0	0	108.3	L222 A225 I227 L285	L222-V246 HydrophobicContact CB-CG2 3.73Å; L222-V246 HydrophobicContact CD2-CG2 4.15Å; L222-V246 HydrophobicContact CG-CG2 4.38Å; L222-V246 WeakPolarHBondContact O-CG2 3.3Å; A225-V246 HydrophobicContact CB-CG2 4.21Å; I227-V246 HydrophobicContact CG1-CG1 4.28Å; V246-L285 HydrophobicContact CG1-CB 3.56Å; V246-L285 HydrophobicContact CG1-CD1 3.68Å; V246-L285 HydrophobicContact CG1-CG 4.23Å
247	C	51.5	Low	44.2	Very low	9 Å²	9	77.8 Å²	77.8	6%	0.061	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-94.3	157.4	168.1	-61.1	0	0	0	0	109.8	R245 P286	R245-C247 PolarHBondContact NE-SG 3.5Å; R245-C247 PolarHBondContact O-N 3.4Å; C247-P286 HydrophobicContact CB-CG 4.31Å; C247-P286 VanDerWaalsContact CB-O 3.26Å; C247-P286 WeakPolarHBondContact CB-O 3.42Å; C247-P286 PolarHBondContact N-O 3.12Å; C247-P286 VanDerWaalsContact N-O 3.11Å
248	P	40.2	Very low	43.1	Very low	20 Å²	20	76.5 Å²	76.5	13%	0.13	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-58.7	160.3	165.2	-9.3	21.3	0	0	0	110.9	L194 I227 T250 P286	L194-P248 HydrophobicContact CD1-CB 3.58Å; L194-P248 HydrophobicContact CD1-CG 3.78Å; L194-P248 HydrophobicContact CD2-CG 4.31Å; L194-P248 HydrophobicContact CG-CG 4.21Å; I227-P248 HydrophobicContact CD1-CB 3.85Å; I227-P248 HydrophobicContact CD1-CG 4.29Å; I227-P248 HydrophobicContact CG1-CB 4.5Å; I227-P248 HydrophobicContact CG2-CB 4.48Å; I227-P248 HydrophobicContact CG2-CG 3.76Å; P248-T250 PolarHBondContact O-N 3.04Å; P248-P286 WeakPolarHBondContact O-CG 3.17Å
249	P	39.3	Very low	42.4	Very low	58 Å²	58	75 Å²	75	38%	0.377	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-58.6	117	159.5	-1.2	16.7	0	0	0	106.4	T251 L285	P249-T251 PolarHBondContact O-N 3.21Å; P249-L285 HydrophobicContact CG-CD2 3.79Å
250	T	32.6	Very low	41.3	Very low	96 Å²	96	75.6 Å²	75.6	59%	0.589	41%	0.411	S	S	*	.			trans	-73.6	100.4	177.9	45.3	0	0	0	0	108.3	P248 V252	P248-T250 PolarHBondContact O-N 3.04Å; T250-V252 PolarHBondContact O-N 3.1Å
251	T	26.3	Very low	40.2	Very low	101 Å²	101	77.5 Å²	77.5	62%	0.62	42%	0.424	S	S	*	.			trans	-49.8	132.4	163.7	41.6	0	0	0	0	108.8	P249 L253	P249-T251 PolarHBondContact O-N 3.21Å; T251-L253 PolarHBondContact O-N 2.89Å
252	V	25.4	Very low	38.8	Very low	123 Å²	123	83.5 Å²	83.5	75%	0.745	45%	0.445	S	S	*	.			trans	-82.5	67.3	-165	-171.8	0	0	0	0	110.6	T250 R254	T250-V252 PolarHBondContact O-N 3.1Å; V252-R254 HydrophobicContact CG1-CB 3.73Å; V252-R254 PolarHBondContact O-N 3.29Å
253	L	26.9	Very low	36.9	Very low	170 Å²	170	88.9 Å²	88.9	89%	0.89	47%	0.473	S	S	*	.			trans	-80.2	53.3	155.9	-66.7	-179.5	0	0	0	109.8	T251 S255	T251-L253 PolarHBondContact O-N 2.89Å; L253-S255 PolarHBondContact O-N 2.85Å
254	R	24	Very low	34.6	Very low	196 Å²	196	96.6 Å²	96.6	74%	0.74	51%	0.509	S	S	*	.			trans	-74.2	116.6	159.1	179	177.4	-178.1	168.4	-2.2	105.4	V252	V252-R254 HydrophobicContact CG1-CB 3.73Å; V252-R254 PolarHBondContact O-N 3.29Å
255	S	23.5	Very low	32.3	Very low	108 Å²	108	99.6 Å²	99.6	76%	0.755	53%	0.533	S	S	*	.			trans	-40.3	123.9	176	-176	0	0	0	0	110.4	L253	L253-S255 PolarHBondContact O-N 2.85Å
256	P	25.7	Very low	30.2	Very low	100 Å²	100	104.2 Å²	104.2	65%	0.649	56%	0.562	S	S	*	*	S	Bend	trans	-64.6	160.6	-177.3	26	-33.6	0	0	0	111.3
257	N	24.5	Very low	28.3	Very low	135 Å²	135	111.4 Å²	111.4	72%	0.722	60%	0.595	S	S	*	*			trans	63.9	75.9	164.2	-56.5	-5.5	0	0	0	116.7
258	K	27.7	Very low	26.9	Very low	149 Å²	149	118.4 Å²	118.4	65%	0.648	62%	0.624	S	S	*	*				-139.4	110.4	107	-81.2	-138.8	173.1	-137.9	0	110.5	T1674	K258-T1674 PolarHBondContact NZ-O 2.82Å
259	T	27.6	Very low	26.3	Very low	76 Å²	76	120.8 Å²	120.8	47%	0.466	64%	0.636	S	S	.	*			trans	-88.4	145.7	177.2	13.1	0	0	0	0	111.5
260	N	25.6	Very low	25.5	Very low	126 Å²	126	125.2 Å²	125.2	67%	0.674	65%	0.646	S	S	*	*				37.8	143.4	128.8	-58.1	10.2	0	0	0	119.7
261	C	25.2	Very low	25.2	Very low	51 Å²	51	125 Å²	125	35%	0.345	64%	0.64	S	S	.	*			cis	-156.8	-170.1	-1	-109.2	0	0	0	0	107.2	N1676	C261-N1676 PolarHBondContact N-O 3.23Å
262	Y	26	Very low	25	Very low	175 Å²	175	126.4 Å²	126.4	69%	0.686	64%	0.64	S	S	*	*			cis	-138.9	154.6	23.6	-83	-99.3	0	0	0	109.4	A1677	Y262-A1677 WeakPolarHBondContact CE2-O 3Å
263	L	23.9	Very low	24.9	Very low	118 Å²	118	124.9 Å²	124.9	62%	0.618	63%	0.628	S	S	*	*			cis	76.4	148.9	45.9	-83.2	168.2	0	0	0	115.4
264	H	23.4	Very low	24.7	Very low	167 Å²	167	122.1 Å²	122.1	77%	0.773	61%	0.614	S	S	*	*			trans	70.5	153.5	156.7	-84.9	-64.3	0	0	0	119.5
265	A	25.3	Very low	24.7	Very low	62 Å²	62	118.5 Å²	118.5	51%	0.512	61%	0.605	S	S	.	*			cis	-148.5	169.4	-12.1	0	0	0	0	0	108.9
266	N	25	Very low	24.7	Very low	145 Å²	145	117.6 Å²	117.6	78%	0.775	59%	0.592	S	S	*	*				157.9	161.6	80.6	-97.4	-29.2	0	0	0	106.5
267	H	24.1	Very low	24.9	Very low	155 Å²	155	119.9 Å²	119.9	72%	0.718	59%	0.592	S	S	*	*			cis	-170.1	159.8	-30.4	-150.9	-57.9	0	0	0	107.1
268	K	23.7	Very low	24.8	Very low	155 Å²	155	120.8 Å²	120.8	67%	0.674	60%	0.596	S	S	*	*			trans	73.5	136.2	162.7	-63.7	-162.9	138.8	-71	0	116.3
269	D	25.6	Very low	24.8	Very low	70 Å²	70	120.8 Å²	120.8	37%	0.374	60%	0.599	S	S	.	*			cis	-143	-164.6	-5.5	-94	-27.4	0	0	0	107
270	Y	23.9	Very low	24.7	Very low	151 Å²	151	125.7 Å²	125.7	59%	0.592	62%	0.616	S	S	*	*			cis	-146.1	-122.9	9.5	-141.9	-62.1	0	0	0	111.2
271	I	25	Very low	24.7	Very low	92 Å²	92	128.5 Å²	128.5	47%	0.472	63%	0.625	S	S	.	*			trans	-142.4	144.8	-168.9	-62.5	173.9	0	0	0	106	E1838 Q1839	I271-E1838 CarbonylContact O-C 3Å; I271-E1838 WeakPolarHBondContact O-CA 3.4Å; I271-E1838 PolarHBondContact O-N 3.4Å; I271-Q1839 CarbonylContact C-O 3.59Å; I271-Q1839 VanDerWaalsContact CA-O 3.26Å; I271-Q1839 WeakPolarHBondContact CA-O 3.41Å; I271-Q1839 PolarHBondContact O-N 3.29Å
272	E	23.3	Very low	24.8	Very low	130 Å²	130	131.2 Å²	131.2	61%	0.607	64%	0.635	S	S	*	*				-165.6	158.1	62.6	-154.5	142.7	-108.6	0	0	116.7	Q1839 C1840	E272-Q1839 PolarHBondContact N-O 2.95Å; E272-C1840 VanDerWaalsContact C-C 3.45Å; E272-C1840 CarbonylContact C-O 3.56Å; E272-C1840 PolarHBondContact O-N 3.3Å
273	N	23	Very low	25.1	Very low	91 Å²	91	128 Å²	128	49%	0.487	63%	0.634	S	S	.	*			trans	11	150	157.9	-60.2	-35.3	0	0	0	126	C1840 H1841	N273-C1840 VanDerWaalsContact N-C 3.25Å; N273-C1840 PolarHBondContact N-O 3.17Å; N273-H1841 CarbonylContact C-O 3.46Å; N273-H1841 WeakPolarHBondContact CA-O 3.34Å
274	N	23	Very low	26	Very low	113 Å²	113	129.9 Å²	129.9	60%	0.604	63%	0.634	S	S	*	*			trans	68.9	151.3	154	-64.8	-27.5	0	0	0	119.2	H1841	N274-H1841 PolarHBondContact N-O 3.16Å
275	H	23.6	Very low	27.3	Very low	120 Å²	120	124.2 Å²	124.2	56%	0.556	61%	0.609	S	S	*	*			cis	-148.6	154.2	-20.5	-134	-53.7	0	0	0	110.6
276	N	23.7	Very low	28.6	Very low	89 Å²	89	123.4 Å²	123.4	48%	0.476	60%	0.599	S	S	.	*			trans	18.6	124.7	163.1	-64.6	1.1	0	0	0	121.8
277	K	29	Very low	30.3	Very low	148 Å²	148	118.4 Å²	118.4	64%	0.643	57%	0.572	S	S	*	*			trans	-151.6	109.8	134.6	-119.7	173.8	-172	-176.7	0	112.7	Q279 E2629	K277-Q279 PolarHBondContact O-N 3.49Å; K277-E2629 PolarHBondContact NZ-O 2.96Å
278	N	23.6	Very low	31.9	Very low	154 Å²	154	115.6 Å²	115.6	82%	0.824	56%	0.557	S	S	*	*			trans	-71.7	113.2	171.3	-86.2	-30.5	0	0	0	110
279	Q	27.9	Very low	33.9	Very low	149 Å²	149	110.8 Å²	110.8	70%	0.696	54%	0.537	S	S	*	.			trans	-102.4	127.3	161.4	-73.2	-167.1	-2.1	0	0	109.8	K277 H281	K277-Q279 PolarHBondContact O-N 3.49Å; Q279-H281 PolarHBondContact O-N 3.07Å; Q279-H281 VanDerWaalsContact O-N 3.16Å
280	H	24.4	Very low	35.4	Very low	178 Å²	178	109.1 Å²	109.1	82%	0.824	53%	0.528	S	S	*	.			trans	-53.5	120.2	174.6	-82.9	-105	0	0	0	110.7	N282	H280-N282 PolarHBondContact O-N 2.99Å
281	H	26.2	Very low	36.4	Very low	186 Å²	186	104.8 Å²	104.8	86%	0.861	52%	0.515	S	S	*	.			trans	-70.9	81.2	164.9	-96.7	50	0	0	0	109.9	Q279 V283	Q279-H281 PolarHBondContact O-N 3.07Å; Q279-H281 VanDerWaalsContact O-N 3.16Å; H281-V283 PolarHBondContact O-N 2.98Å
282	N	27	Very low	37.3	Very low	107 Å²	107	101.4 Å²	101.4	57%	0.572	50%	0.498	S	S	*	.			trans	-54.2	125.9	153.6	-90.1	-31.9	0	0	0	107.6	H280 Y284	H280-N282 PolarHBondContact O-N 2.99Å; N282-Y284 VanDerWaalsContact C-N 3.27Å; N282-Y284 HydrophobicContact CB-CE2 4.47Å; N282-Y284 WeakPolarHBondContact O-CD2 3.47Å; N282-Y284 PolarHBondContact O-N 3.15Å
283	V	33.5	Very low	37.9	Very low	108 Å²	108	98.8 Å²	98.8	66%	0.655	49%	0.485	S	S	*	.			trans	-74.8	84.5	-179.1	-177.6	0	0	0	0	108.9	H281 L285	H281-V283 PolarHBondContact O-N 2.98Å; V283-L285 PolarHBondContact O-N 2.99Å; V283-L285 VanDerWaalsContact O-N 3.08Å
284	Y	42	Very low	38.4	Very low	158 Å²	158	99 Å²	99	62%	0.62	49%	0.485	S	S	*	.			trans	-53.6	112.1	178.6	-89.3	-89.1	0	0	0	111	E223 N282	E223-Y284 HydrophobicContact CG-CD1 4.33Å; E223-Y284 HydrophobicContact CG-CE1 3.69Å; E223-Y284 VanDerWaalsContact OE1-CE1 3.26Å; E223-Y284 WeakPolarHBondContact OE1-CE1 3.14Å; E223-Y284 PolarHBondContact OE1-OH 3.44Å; N282-Y284 VanDerWaalsContact C-N 3.27Å; N282-Y284 HydrophobicContact CB-CE2 4.47Å; N282-Y284 WeakPolarHBondContact O-CD2 3.47Å; N282-Y284 PolarHBondContact O-N 3.15Å
285	L	49.7	Very low	38.6	Very low	47 Å²	47	97.4 Å²	97.4	25%	0.246	48%	0.477	C	S	.	.			trans	-68.3	127.5	176.8	-68	174.9	0	0	0	109.6	I227 V246 P249 V283 I287	I227-L285 HydrophobicContact CD1-CD2 4.47Å; I227-L285 HydrophobicContact CG1-CD1 4.22Å; V246-L285 HydrophobicContact CG1-CB 3.56Å; V246-L285 HydrophobicContact CG1-CD1 3.68Å; V246-L285 HydrophobicContact CG1-CG 4.23Å; P249-L285 HydrophobicContact CG-CD2 3.79Å; V283-L285 PolarHBondContact O-N 2.99Å; V283-L285 VanDerWaalsContact O-N 3.08Å; L285-I287 PolarHBondContact O-N 2.75Å
286	P	52.8	Low	38.8	Very low	46 Å²	46	95.6 Å²	95.6	30%	0.299	48%	0.475	S	S	.	.			trans	-69.4	104.2	-171.8	25.4	-33.7	0	0	0	111.8	C247 P248	C247-P286 HydrophobicContact CB-CG 4.31Å; C247-P286 VanDerWaalsContact CB-O 3.26Å; C247-P286 WeakPolarHBondContact CB-O 3.42Å; C247-P286 PolarHBondContact N-O 3.12Å; C247-P286 VanDerWaalsContact N-O 3.11Å; P248-P286 WeakPolarHBondContact O-CG 3.17Å
287	I	61.1	Low	38.8	Very low	40 Å²	40	99.4 Å²	99.4	21%	0.205	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	129.1	175.2	-54.1	179	0	0	0	108.9	E219 L222 T244 R245 L285	E219-I287 HydrophobicContact CB-CD1 4.09Å; E219-I287 HydrophobicContact CG-CD1 4.31Å; E219-I287 HydrophobicContact CG-CG2 4.23Å; E219-I287 VanDerWaalsContact O-CD1 3.29Å; E219-I287 WeakPolarHBondContact O-CD1 3.34Å; L222-I287 HydrophobicContact CB-CD1 4.01Å; T244-I287 HydrophobicContact CG2-CG2 3.48Å; T244-I287 VanDerWaalsContact CG2-CG2 3.48Å; R245-I287 WeakPolarHBondContact O-CA 3.38Å; L285-I287 PolarHBondContact O-N 2.75Å
288	K	58.8	Low	38.6	Very low	96 Å²	96	99.2 Å²	99.2	42%	0.417	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	133.7	176	-67.5	-167.9	180	-178	0	111.4	T244 R245	T244-K288 WeakPolarHBondContact CA-O 3.49Å; R245-K288 PolarHBondContact N-O 3.07Å; R245-K288 PolarHBondContact O-N 3.39Å
289	H	65.4	Low	38.6	Very low	53 Å²	53	95.3 Å²	95.3	25%	0.245	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	109	170.3	-55.5	-69.2	0	0	0	109.6	R215 S218 E219 R233 V242 T244	R215-H289 WeakPolarHBondContact CG-NE2 3.45Å; R215-H289 PolarHBondContact NE-CD2 3.45Å; R215-H289 PolarHBondContact NE-NE2 3.46Å; R215-H289 VanDerWaalsContact NE-NE2 3.11Å; S218-H289 PolarHBondContact OG-CE1 2.87Å; E219-H289 IonicContact OE1-NE2 2.75Å; E219-H289 PolarHBondContact OE1-NE2 3.23Å; E219-H289 VanDerWaalsContact OE1-NE2 3.09Å; R233-H289 PolarHBondContact NH2-CE1 3.49Å; R233-H289 PolarHBondContact NH2-ND1 3.05Å; V242-H289 HydrophobicContact CG1-CB 3.79Å; T244-H289 WeakPolarHBondContact CG2-CE1 2.98Å; T244-H289 WeakPolarHBondContact CG2-ND1 3.28Å; T244-H289 PolarHBondContact OG1-ND1 3.43Å
290	N	56.9	Low	38.5	Very low	36 Å²	36	98 Å²	98	19%	0.193	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	123.9	173.7	-65	3.8	0	0	0	109.1	V242 L243 I292 L334	V242-N290 CarbonylContact C-O 3.55Å; V242-N290 WeakPolarHBondContact CA-O 3.23Å; L243-N290 HydrophobicContact CB-CB 4.5Å; L243-N290 PolarHBondContact N-O 2.75Å; L243-N290 PolarHBondContact O-N 3.49Å; N290-I292 PolarHBondContact O-N 3.09Å; N290-L334 HydrophobicContact CB-CD1 3.59Å; N290-L334 HydrophobicContact CB-CG 4.17Å
291	L	43.6	Very low	38.6	Very low	59 Å²	59	93.2 Å²	93.2	31%	0.309	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	128.9	170.5	-124	83.7	0	0	0	109.7	V242 F333 L334	V242-L291 HydrophobicContact CG2-CD1 3.83Å; V242-L291 HydrophobicContact CG2-CG 4.35Å; L291-F333 HydrophobicContact CD2-CE1 4.39Å; L291-L334 PolarHBondContact O-N 2.79Å
292	I	45.4	Very low	38.5	Very low	22 Å²	22	92.9 Å²	92.9	11%	0.113	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	109	164.1	-43	163.7	0	0	0	108	V232 M241 L243 N290 I294 L334	V232-I292 HydrophobicContact CG1-CD1 4.33Å; M241-I292 HydrophobicContact CB-CB 4.42Å; M241-I292 PolarHBondContact N-O 3.21Å; M241-I292 CarbonylContact O-C 3.54Å; M241-I292 PolarHBondContact O-N 3.45Å; M241-I292 VanDerWaalsContact O-O 3.07Å; L243-I292 HydrophobicContact CB-CD1 3.82Å; L243-I292 HydrophobicContact CB-CG1 3.95Å; N290-I292 PolarHBondContact O-N 3.09Å; I292-I294 HydrophobicContact CB-CG1 4.18Å; I292-I294 HydrophobicContact CG2-CD1 4.12Å; I292-I294 HydrophobicContact CG2-CG1 3.46Å; I292-I294 VanDerWaalsContact CG2-CG1 3.46Å; I292-I294 PolarHBondContact O-N 3.26Å; I292-L334 HydrophobicContact CG1-CD1 4.15Å
293	E	34.4	Very low	38.5	Very low	75 Å²	75	94 Å²	94	35%	0.35	50%	0.498	S	S	.	.			trans	-75.3	80.5	165.4	-68.2	-172.8	138.5	0	0	109.8	L295 F333	E293-L295 PolarHBondContact O-N 3.08Å; E293-L295 VanDerWaalsContact O-N 3.12Å; E293-F333 HydrophobicContact CG-CD1 4.24Å
294	I	34.2	Very low	38	Very low	95 Å²	95	92.4 Å²	92.4	49%	0.487	50%	0.503	S	S	.	.			trans	-82.7	52.9	159.3	-40.6	-177.1	0	0	0	108.8	M241 I292	M241-I294 HydrophobicContact CE-CD1 4.35Å; I292-I294 HydrophobicContact CB-CG1 4.18Å; I292-I294 HydrophobicContact CG2-CD1 4.12Å; I292-I294 HydrophobicContact CG2-CG1 3.46Å; I292-I294 VanDerWaalsContact CG2-CG1 3.46Å; I292-I294 PolarHBondContact O-N 3.26Å
295	L	27.4	Very low	37.2	Very low	80 Å²	80	90.8 Å²	90.8	42%	0.419	51%	0.505	S	S	.	.			trans	-131.5	105.7	170.7	-78.3	172.1	0	0	0	106.6	E293 H297	E293-L295 PolarHBondContact O-N 3.08Å; E293-L295 VanDerWaalsContact O-N 3.12Å; L295-H297 PolarHBondContact O-N 2.81Å
296	P	27.4	Very low	36.2	Very low	81 Å²	81	96.6 Å²	96.6	53%	0.526	53%	0.528	S	S	.	.			trans	-60.6	132.6	157.2	28.6	-31.5	0	0	0	107.2	D298	P296-D298 PolarHBondContact O-N 3.29Å
297	H	24.5	Very low	35	Very low	170 Å²	170	103.6 Å²	103.6	79%	0.787	55%	0.554	S	S	*	*	S	Bend	trans	-54.4	129.4	154	-83.9	-99.8	0	0	0	106.7	L295	L295-H297 PolarHBondContact O-N 2.81Å
298	D	24.3	Very low	33.4	Very low	143 Å²	143	109 Å²	109	77%	0.765	58%	0.58	S	S	*	*	S	Bend	trans	73.6	103.3	-174.6	-44.7	-34.1	0	0	0	116.4	P296	P296-D298 PolarHBondContact O-N 3.29Å
299	G	24.7	Very low	31.9	Very low	72 Å²	72	114.7 Å²	114.7	74%	0.742	60%	0.599	S	S	*	*	S	Bend	trans	114.1	-20.4	130.2	0	0	0	0	0	120.2
300	Y	24.7	Very low	30.1	Very low	206 Å²	206	116.9 Å²	116.9	81%	0.808	61%	0.612	S	S	*	*			trans	-114	61.9	-174.1	-78.3	-71.4	0	0	0	115
301	C	25.5	Very low	28.8	Very low	77 Å²	77	121 Å²	121	52%	0.52	63%	0.633	S	S	.	*			trans	-103.7	117.7	171	-73	0	0	0	0	112.9	T303	C301-T303 PolarHBondContact O-N 2.98Å
302	L	26.2	Very low	28.4	Very low	179 Å²	179	120.2 Å²	120.2	94%	0.937	63%	0.627	S	S	*	*			trans	60.5	19.3	139.2	-56.5	175.1	0	0	0	120.4
303	T	25	Very low	28	Very low	132 Å²	132	128.1 Å²	128.1	81%	0.81	66%	0.661	S	S	*	*			trans	-94.7	117.7	174.4	49.3	0	0	0	0	113.9	C301 D305	C301-T303 PolarHBondContact O-N 2.98Å; T303-D305 PolarHBondContact O-N 3.11Å
304	G	24.5	Very low	28.5	Very low	74 Å²	74	125 Å²	125	76%	0.763	65%	0.646	S	S	*	*	S	Bend	trans	75.6	-72.8	160.2	0	0	0	0	0	117.7	K306	G304-K306 PolarHBondContact O-N 3.48Å
305	D	24.8	Very low	29.2	Very low	123 Å²	123	124.7 Å²	124.7	66%	0.658	65%	0.646	S	S	*	*			trans	-87.9	100.7	-143.1	-125.1	-21.5	0	0	0	115.3	T303 K307 M308	T303-D305 PolarHBondContact O-N 3.11Å; D305-K307 PolarHBondContact O-N 3.32Å; D305-M308 PolarHBondContact O-N 2.83Å
306	K	29.2	Very low	30.2	Very low	169 Å²	169	125.3 Å²	125.3	74%	0.735	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	3.5	-174.8	-69	171.9	-174.3	167.2	0	115.4	G304 R2364	G304-K306 PolarHBondContact O-N 3.48Å; K306-R2364 PolarHBondContact O-NH2 3.25Å
307	K	27.6	Very low	30.9	Very low	193 Å²	193	123.5 Å²	123.5	84%	0.839	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.6	-18.9	-175.7	-71.7	-178.5	177	176.2	0	115.3	D305 R309	D305-K307 PolarHBondContact O-N 3.32Å; K307-R309 VanDerWaalsContact C-N 3.35Å; K307-R309 PolarHBondContact O-N 3.04Å
308	M	26	Very low	32	Very low	153 Å²	153	116.4 Å²	116.4	75%	0.754	60%	0.6	S	S	*	*			trans	-77.3	79	-179.6	-77.1	-69	-171.1	0	0	111.9	D305	D305-M308 PolarHBondContact O-N 2.83Å
309	R	27.3	Very low	33.3	Very low	216 Å²	216	110.4 Å²	110.4	82%	0.815	57%	0.568	S	S	*	*			trans	-85	129.6	162.1	-75.1	-175.3	172.3	-174	-3.3	109.1	K307 I311	K307-R309 VanDerWaalsContact C-N 3.35Å; K307-R309 PolarHBondContact O-N 3.04Å; R309-I311 HydrophobicContact CB-CG1 3.97Å; R309-I311 PolarHBondContact O-N 3.35Å
310	L	29	Very low	34.3	Very low	100 Å²	100	110.1 Å²	110.1	52%	0.524	55%	0.548	S	S	.	.			trans	-69	83	162.8	-77.5	176.7	0	0	0	109.5	F312 M346 L349	L310-F312 PolarHBondContact O-N 2.88Å; L310-M346 HydrophobicContact CD2-CE 3.91Å; L310-M346 HydrophobicContact CD2-SD 3.67Å; L310-L349 HydrophobicContact CD1-CD2 4.17Å; L310-L349 HydrophobicContact CD2-CD2 3.6Å
311	I	28.7	Very low	35.2	Very low	123 Å²	123	103.8 Å²	103.8	63%	0.631	53%	0.525	S	S	*	.			trans	-76.2	79.5	171.2	-53.3	175.9	0	0	0	107.4	R309 K313 N353	R309-I311 HydrophobicContact CB-CG1 3.97Å; R309-I311 PolarHBondContact O-N 3.35Å; I311-K313 PolarHBondContact O-N 3.23Å; I311-K313 VanDerWaalsContact O-N 3.14Å; I311-N353 PolarHBondContact O-ND2 3.22Å
312	F	36.2	Very low	36.1	Very low	42 Å²	42	101.4 Å²	101.4	18%	0.184	51%	0.505	C	S	.	.			trans	-53.7	118.5	151.9	-81.9	-79.9	0	0	0	106.8	L310 S314 L315 I340 L349	L310-F312 PolarHBondContact O-N 2.88Å; F312-S314 PolarHBondContact O-N 3.48Å; F312-L315 PolarHBondContact O-N 2.78Å; F312-I340 HydrophobicContact CE1-CD1 3.9Å; F312-I340 HydrophobicContact CZ-CD1 4.14Å; F312-I340 HydrophobicContact CZ-CG2 4.02Å; F312-L349 HydrophobicContact CE1-CD1 4.22Å; F312-L349 HydrophobicContact CZ-CD1 3.87Å
313	K	37.1	Very low	36.9	Very low	188 Å²	188	94.4 Å²	94.4	82%	0.817	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-6.8	171.8	-142.9	170.2	-173	175.2	0	112	I311 N353	I311-K313 PolarHBondContact O-N 3.23Å; I311-K313 VanDerWaalsContact O-N 3.14Å; K313-N353 PolarHBondContact N-OD1 3.37Å
314	S	44.6	Very low	37.5	Very low	8 Å²	8	94.1 Å²	94.1	6%	0.056	46%	0.461	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135	53.4	178.6	69.7	0	0	0	0	113.5	F312 I316 H317 L318 W360	F312-S314 PolarHBondContact O-N 3.48Å; S314-I316 PolarHBondContact O-N 3.13Å; S314-H317 WeakPolarHBondContact CB-CD2 3.46Å; S314-H317 PolarHBondContact O-N 2.71Å; S314-L318 PolarHBondContact O-N 2.83Å; S314-W360 PolarHBondContact OG-NE1 2.97Å
315	L	47.4	Very low	38.1	Very low	90 Å²	90	94.1 Å²	94.1	47%	0.471	45%	0.446	S	S	.	.	H	α-helix	trans	-53.3	-34.9	157.8	-176.2	69.5	0	0	0	110.1	I207 F312 L318 L319	I207-L315 HydrophobicContact CD1-CD2 4.22Å; F312-L315 PolarHBondContact O-N 2.78Å; L315-L318 PolarHBondContact O-N 3.43Å; L315-L319 PolarHBondContact O-N 2.97Å
316	I	48.7	Very low	38.5	Very low	92 Å²	92	96.7 Å²	96.7	47%	0.472	45%	0.454	S	S	.	.	H	α-helix	trans	-55.2	-59	170.2	-62.5	173.1	0	0	0	111.2	I201 S314 L318 L319 E320	I201-I316 HydrophobicContact CG2-CG2 3.73Å; S314-I316 PolarHBondContact O-N 3.13Å; I316-L318 VanDerWaalsContact C-N 3.26Å; I316-L318 PolarHBondContact O-N 2.69Å; I316-L319 WeakPolarHBondContact O-CB 3.05Å; I316-L319 PolarHBondContact O-N 3.3Å; I316-L319 VanDerWaalsContact O-N 3.1Å; I316-E320 WeakPolarHBondContact O-CB 3.38Å; I316-E320 PolarHBondContact O-N 2.97Å
317	H	43.9	Very low	38.7	Very low	44 Å²	44	92.1 Å²	92.1	20%	0.204	44%	0.44	C	S	.	.	H	α-helix	trans	-67.6	-22.9	-179.9	-49.8	-39.1	0	0	0	113.7	S314 E320 F321 I357 W360	S314-H317 WeakPolarHBondContact CB-CD2 3.46Å; S314-H317 PolarHBondContact O-N 2.71Å; H317-E320 IonicContact CE1-OE2 3.1Å; H317-E320 IonicContact CG-OE2 2.6Å; H317-E320 IonicContact ND1-OE2 2.71Å; H317-E320 PolarHBondContact ND1-OE2 2.78Å; H317-E320 PolarHBondContact O-N 2.87Å; H317-F321 WeakPolarHBondContact O-CB 3.4Å; H317-F321 PolarHBondContact O-N 2.78Å; H317-I357 WeakPolarHBondContact NE2-CG1 3.34Å; H317-W360 HydrophobicContact CB-CD2 3.97Å; H317-W360 HydrophobicContact CB-CG 3.95Å; H317-W360 HydrophobicContact CB-CZ2 4.24Å; H317-W360 AromaticContact CD2-CD1 3.61Å; H317-W360 AromaticContact CD2-NE1 3.91Å; H317-W360 AromaticContact CG-CD1 3.93Å
318	L	47.3	Very low	38.6	Very low	20 Å²	20	87.9 Å²	87.9	11%	0.105	44%	0.435	C	S	.	.	H	α-helix	trans	-68.5	-40.1	171.8	-172.7	68.6	0	0	0	111.3	S314 L315 I316 Y322 L336 P337 W360	S314-L318 PolarHBondContact O-N 2.83Å; L315-L318 PolarHBondContact O-N 3.43Å; I316-L318 VanDerWaalsContact C-N 3.26Å; I316-L318 PolarHBondContact O-N 2.69Å; L318-Y322 HydrophobicContact CD1-CD2 4.39Å; L318-Y322 HydrophobicContact CD1-CE2 3.9Å; L318-Y322 HydrophobicContact CD2-CE2 4.34Å; L318-Y322 HydrophobicContact CG-CD2 4.09Å; L318-Y322 HydrophobicContact CG-CE2 3.84Å; L318-Y322 WeakPolarHBondContact O-CD2 3.49Å; L318-Y322 PolarHBondContact O-N 2.87Å; L318-Y322 VanDerWaalsContact O-N 3.12Å; L318-L336 HydrophobicContact CD1-CD2 3.93Å; L318-L336 HydrophobicContact CD2-CD2 3.99Å; L318-P337 HydrophobicContact CD1-CG 4.4Å; L318-W360 HydrophobicContact CD1-CH2 4.09Å
319	L	51	Low	38.6	Very low	17 Å²	17	87.4 Å²	87.4	9%	0.089	44%	0.435	C	S	.	.	H	α-helix	trans	-68.7	-41.2	170.9	-77.1	161.4	0	0	0	111.4	I207 F230 L243 L315 I316 F321 Y322 L323	I207-L319 HydrophobicContact CD1-CD1 3.33Å; I207-L319 HydrophobicContact CG1-CD1 3.84Å; F230-L319 HydrophobicContact CD2-CD1 4.47Å; F230-L319 HydrophobicContact CE2-CD2 4.5Å; L243-L319 HydrophobicContact CD2-CD2 4.03Å; L315-L319 PolarHBondContact O-N 2.97Å; I316-L319 WeakPolarHBondContact O-CB 3.05Å; I316-L319 PolarHBondContact O-N 3.3Å; I316-L319 VanDerWaalsContact O-N 3.1Å; L319-F321 VanDerWaalsContact C-N 3.34Å; L319-F321 PolarHBondContact O-N 3.07Å; L319-Y322 CarbonylContact O-C 3.45Å; L319-Y322 PolarHBondContact O-N 3.04Å; L319-L323 HydrophobicContact CB-CD1 4.28Å; L319-L323 VanDerWaalsContact O-CB 3.26Å; L319-L323 WeakPolarHBondContact O-CB 3.43Å; L319-L323 VanDerWaalsContact O-CD1 3.27Å; L319-L323 WeakPolarHBondContact O-CD1 3.34Å; L319-L323 WeakPolarHBondContact O-CG 3.09Å; L319-L323 PolarHBondContact O-N 3.45Å
320	E	45.4	Very low	38.4	Very low	66 Å²	66	88.1 Å²	88.1	31%	0.308	44%	0.438	S	S	.	.	H	α-helix	trans	-54.6	-48.8	173.7	-158.6	167.8	-172.3	0	0	111.1	L197 I201 I316 H317 L323 L324	L197-E320 HydrophobicContact CD2-CG 4.2Å; L197-E320 WeakPolarHBondContact CD2-O 3.3Å; I201-E320 HydrophobicContact CD1-CB 3.66Å; I201-E320 HydrophobicContact CD1-CG 3.84Å; I316-E320 WeakPolarHBondContact O-CB 3.38Å; I316-E320 PolarHBondContact O-N 2.97Å; H317-E320 IonicContact CE1-OE2 3.1Å; H317-E320 IonicContact CG-OE2 2.6Å; H317-E320 IonicContact ND1-OE2 2.71Å; H317-E320 PolarHBondContact ND1-OE2 2.78Å; H317-E320 PolarHBondContact O-N 2.87Å; E320-L323 PolarHBondContact O-N 3.26Å; E320-L324 WeakPolarHBondContact O-CG 3.41Å; E320-L324 PolarHBondContact O-N 2.8Å
321	F	42.8	Very low	38.2	Very low	74 Å²	74	88.4 Å²	88.4	33%	0.325	46%	0.455	S	S	.	.	H	α-helix	trans	-57.1	-51.8	172.8	179	-98.9	0	0	0	112.7	H317 L319 L323 L324 V325 P337 W360	H317-F321 WeakPolarHBondContact O-CB 3.4Å; H317-F321 PolarHBondContact O-N 2.78Å; L319-F321 VanDerWaalsContact C-N 3.34Å; L319-F321 PolarHBondContact O-N 3.07Å; F321-L323 PolarHBondContact O-N 3Å; F321-L323 VanDerWaalsContact O-N 3.14Å; F321-L324 PolarHBondContact O-N 3.09Å; F321-V325 WeakPolarHBondContact O-CG2 3.32Å; F321-V325 PolarHBondContact O-N 2.77Å; F321-P337 HydrophobicContact CD1-CG 3.95Å; F321-P337 HydrophobicContact CE1-CG 3.77Å; F321-P337 HydrophobicContact CG-CG 4.45Å; F321-P337 HydrophobicContact CZ-CG 4.12Å; F321-W360 HydrophobicContact CB-CE3 4.33Å; F321-W360 HydrophobicContact CB-CH2 4.09Å; F321-W360 HydrophobicContact CB-CZ3 3.6Å; F321-W360 HydrophobicContact CD2-CE3 4.4Å; F321-W360 AromaticContact CD2-CZ3 3.78Å; F321-W360 HydrophobicContact CD2-CZ3 3.78Å; F321-W360 HydrophobicContact CG-CH2 4.37Å; F321-W360 AromaticContact CG-CZ3 3.72Å; F321-W360 HydrophobicContact CG-CZ3 3.72Å
322	Y	44.6	Very low	38.1	Very low	26 Å²	26	86 Å²	86	10%	0.102	45%	0.449	C	S	.	.	H	α-helix	trans	-71.8	-2	179.7	-71.1	-47.6	0	0	0	115.4	L318 L319 L334 R335 L336	L318-Y322 HydrophobicContact CD1-CD2 4.39Å; L318-Y322 HydrophobicContact CD1-CE2 3.9Å; L318-Y322 HydrophobicContact CD2-CE2 4.34Å; L318-Y322 HydrophobicContact CG-CD2 4.09Å; L318-Y322 HydrophobicContact CG-CE2 3.84Å; L318-Y322 WeakPolarHBondContact O-CD2 3.49Å; L318-Y322 PolarHBondContact O-N 2.87Å; L318-Y322 VanDerWaalsContact O-N 3.12Å; L319-Y322 CarbonylContact O-C 3.45Å; L319-Y322 PolarHBondContact O-N 3.04Å; Y322-L334 HydrophobicContact CD1-CD2 3.73Å; Y322-L334 HydrophobicContact CE1-CB 4.1Å; Y322-L334 HydrophobicContact CE1-CD2 4.11Å; Y322-L334 HydrophobicContact CE2-CB 4.42Å; Y322-L334 HydrophobicContact CG-CD2 4Å; Y322-L334 VanDerWaalsContact OH-C 3.32Å; Y322-L334 PolarHBondContact OH-O 3.47Å; Y322-R335 WeakPolarHBondContact CE1-O 3.5Å; Y322-R335 PolarHBondContact OH-O 2.99Å; Y322-L336 VanDerWaalsContact OH-CA 3.24Å; Y322-L336 WeakPolarHBondContact OH-CA 3.31Å; Y322-L336 PolarHBondContact OH-N 3.01Å; Y322-L336 VanDerWaalsContact OH-N 3.1Å
323	L	42.8	Very low	38	Very low	33 Å²	33	90 Å²	90	17%	0.173	47%	0.466	C	S	.	.	H	α-helix	trans	-115.7	-18	176.8	-66.1	163.9	0	0	0	112.6	L197 I201 F230 L319 E320 F321	L197-L323 HydrophobicContact CD1-CB 3.31Å; L197-L323 HydrophobicContact CD1-CD1 3.77Å; L197-L323 HydrophobicContact CD1-CG 4.11Å; L197-L323 HydrophobicContact CD2-CB 3.83Å; L197-L323 HydrophobicContact CG-CB 4.21Å; I201-L323 HydrophobicContact CD1-CD1 4.28Å; I201-L323 HydrophobicContact CG1-CD1 4.33Å; F230-L323 HydrophobicContact CE2-CD1 4.31Å; F230-L323 HydrophobicContact CZ-CD1 3.71Å; F230-L323 HydrophobicContact CZ-CD2 4.34Å; L319-L323 HydrophobicContact CB-CD1 4.28Å; L319-L323 VanDerWaalsContact O-CB 3.26Å; L319-L323 WeakPolarHBondContact O-CB 3.43Å; L319-L323 VanDerWaalsContact O-CD1 3.27Å; L319-L323 WeakPolarHBondContact O-CD1 3.34Å; L319-L323 WeakPolarHBondContact O-CG 3.09Å; L319-L323 PolarHBondContact O-N 3.45Å; E320-L323 PolarHBondContact O-N 3.26Å; F321-L323 PolarHBondContact O-N 3Å; F321-L323 VanDerWaalsContact O-N 3.14Å
324	L	38.4	Very low	38	Very low	126 Å²	126	81.6 Å²	81.6	66%	0.66	43%	0.43	S	S	*	.	H	α-helix	trans	-73.7	-35	164.4	-76.1	178	0	0	0	111.8	L197 E320 F321 Q326	L197-L324 HydrophobicContact CD2-CB 4.29Å; L197-L324 HydrophobicContact CD2-CD2 3.54Å; L197-L324 HydrophobicContact CD2-CG 3.49Å; L197-L324 VanDerWaalsContact CD2-CG 3.49Å; E320-L324 WeakPolarHBondContact O-CG 3.41Å; E320-L324 PolarHBondContact O-N 2.8Å; F321-L324 PolarHBondContact O-N 3.09Å; L324-Q326 PolarHBondContact O-N 2.98Å; L324-Q326 VanDerWaalsContact O-N 3.09Å
325	V	37	Very low	37.5	Very low	73 Å²	73	90.2 Å²	90.2	44%	0.442	46%	0.462	S	S	.	.	S	Bend	trans	-68.2	109.2	177.4	176.5	0	0	0	0	109.8	F321 V327	F321-V325 WeakPolarHBondContact O-CG2 3.32Å; F321-V325 PolarHBondContact O-N 2.77Å; V325-V327 HydrophobicContact CG1-CG2 3.99Å; V325-V327 PolarHBondContact O-N 3.31Å
326	Q	33	Very low	37.1	Very low	177 Å²	177	87.8 Å²	87.8	83%	0.827	45%	0.449	S	S	*	.			trans	-64.4	94.9	164.4	-86.4	177.9	-41.4	0	0	109.4	L324 S328	L324-Q326 PolarHBondContact O-N 2.98Å; L324-Q326 VanDerWaalsContact O-N 3.09Å; Q326-S328 VanDerWaalsContact C-N 3.27Å; Q326-S328 PolarHBondContact O-N 3.14Å
327	V	32.9	Very low	37	Very low	74 Å²	74	84.2 Å²	84.2	45%	0.448	43%	0.432	S	S	.	.			trans	-74.7	82.4	174.3	-177.2	0	0	0	0	109.4	V325 N329 S332	V325-V327 HydrophobicContact CG1-CG2 3.99Å; V325-V327 PolarHBondContact O-N 3.31Å; V327-N329 PolarHBondContact O-N 3.11Å; V327-S332 WeakPolarHBondContact CG1-OG 3.49Å
328	S	25.9	Very low	37.1	Very low	104 Å²	104	85.5 Å²	85.5	73%	0.727	45%	0.446	S	S	*	.			trans	-70.8	104.6	178.8	-64	0	0	0	0	111.8	Q326 R330	Q326-S328 VanDerWaalsContact C-N 3.27Å; Q326-S328 PolarHBondContact O-N 3.14Å; S328-R330 PolarHBondContact O-N 3.21Å
329	N	25.6	Very low	37.1	Very low	142 Å²	142	86.6 Å²	86.6	76%	0.759	46%	0.458	S	S	*	.	S	Bend	trans	42.8	67	158.2	-70.4	-17.7	0	0	0	118.4	V327	V327-N329 PolarHBondContact O-N 3.11Å
330	R	24.2	Very low	37	Very low	231 Å²	231	86.5 Å²	86.5	87%	0.872	46%	0.457	S	S	*	.	S	Bend	trans	-169.7	172.7	134.7	-103.4	154.1	-173.6	-170	1.2	110.3	S328 S332	S328-R330 PolarHBondContact O-N 3.21Å; R330-S332 PolarHBondContact O-N 3.18Å
331	A	25.1	Very low	36.9	Very low	106 Å²	106	86.2 Å²	86.2	88%	0.876	46%	0.462	S	S	*	.			trans	-71.5	88.2	178.8	0	0	0	0	0	110.9
332	S	26.7	Very low	36.9	Very low	72 Å²	72	86.8 Å²	86.8	50%	0.503	47%	0.466	S	S	.	.			trans	-110.7	122	-179.3	61	0	0	0	0	111.9	V327 R330	V327-S332 WeakPolarHBondContact CG1-OG 3.49Å; R330-S332 PolarHBondContact O-N 3.18Å
333	F	32.9	Very low	37	Very low	126 Å²	126	86.8 Å²	86.8	55%	0.553	47%	0.471	S	S	*	.			trans	-53.4	138.7	178.8	-61.6	-103.1	0	0	0	112.7	L291 E293 R335	L291-F333 HydrophobicContact CD2-CE1 4.39Å; E293-F333 HydrophobicContact CG-CD1 4.24Å; F333-R335 VanDerWaalsContact C-N 3.25Å; F333-R335 PolarHBondContact O-N 2.94Å
334	L	36.7	Very low	37	Very low	13 Å²	13	90.4 Å²	90.4	7%	0.068	49%	0.485	C	S	.	.			trans	-73.9	79.9	172.3	-68.4	176.1	0	0	0	110	L243 N290 L291 I292 Y322	L243-L334 HydrophobicContact CD2-CD1 4.39Å; N290-L334 HydrophobicContact CB-CD1 3.59Å; N290-L334 HydrophobicContact CB-CG 4.17Å; L291-L334 PolarHBondContact O-N 2.79Å; I292-L334 HydrophobicContact CG1-CD1 4.15Å; Y322-L334 HydrophobicContact CD1-CD2 3.73Å; Y322-L334 HydrophobicContact CE1-CB 4.1Å; Y322-L334 HydrophobicContact CE1-CD2 4.11Å; Y322-L334 HydrophobicContact CE2-CB 4.42Å; Y322-L334 HydrophobicContact CG-CD2 4Å; Y322-L334 VanDerWaalsContact OH-C 3.32Å; Y322-L334 PolarHBondContact OH-O 3.47Å
335	R	34.7	Very low	37.6	Very low	188 Å²	188	87.5 Å²	87.5	71%	0.709	47%	0.473	S	S	*	.			trans	-84.5	129.5	-179.3	-151.9	177.5	-154.9	-173.2	7.3	110.6	Y322 F333	Y322-R335 WeakPolarHBondContact CE1-O 3.5Å; Y322-R335 PolarHBondContact OH-O 2.99Å; F333-R335 VanDerWaalsContact C-N 3.25Å; F333-R335 PolarHBondContact O-N 2.94Å
336	L	40.1	Very low	38	Very low	40 Å²	40	89.5 Å²	89.5	21%	0.209	48%	0.479	C	S	.	.			trans	-57.9	148.7	-176.3	-64.9	162	0	0	0	111.1	L318 Y322 S338 I340 C341	L318-L336 HydrophobicContact CD1-CD2 3.93Å; L318-L336 HydrophobicContact CD2-CD2 3.99Å; Y322-L336 VanDerWaalsContact OH-CA 3.24Å; Y322-L336 WeakPolarHBondContact OH-CA 3.31Å; Y322-L336 PolarHBondContact OH-N 3.01Å; Y322-L336 VanDerWaalsContact OH-N 3.1Å; L336-S338 PolarHBondContact O-N 2.77Å; L336-I340 HydrophobicContact CB-CB 4.21Å; L336-I340 HydrophobicContact CB-CG2 3.98Å; L336-I340 HydrophobicContact CD1-CG2 3.96Å; L336-I340 HydrophobicContact CD2-CG2 4.45Å; L336-I340 HydrophobicContact CG-CG2 4.35Å; L336-C341 PolarHBondContact O-SG 3.23Å
337	P	45.1	Very low	38.9	Very low	17 Å²	17	89 Å²	89	11%	0.11	47%	0.474	C	S	.	.			trans	-45.5	138.2	174.3	-28.4	32.3	0	0	0	111.2	L318 F321 A339 I340 C341 F359 W360	L318-P337 HydrophobicContact CD1-CG 4.4Å; F321-P337 HydrophobicContact CD1-CG 3.95Å; F321-P337 HydrophobicContact CE1-CG 3.77Å; F321-P337 HydrophobicContact CG-CG 4.45Å; F321-P337 HydrophobicContact CZ-CG 4.12Å; P337-A339 PolarHBondContact O-N 2.99Å; P337-I340 HydrophobicContact CB-CD1 4.38Å; P337-I340 HydrophobicContact CG-CD1 4.17Å; P337-I340 WeakPolarHBondContact O-CA 3.49Å; P337-I340 WeakPolarHBondContact O-CB 3.45Å; P337-I340 PolarHBondContact O-N 2.98Å; P337-C341 PolarHBondContact O-N 3.32Å; P337-C341 VanDerWaalsContact O-N 3.08Å; P337-F359 HydrophobicContact CB-CZ 4.45Å; P337-W360 HydrophobicContact CG-CH2 3.85Å; P337-W360 HydrophobicContact CG-CZ3 4.02Å
338	S	45.9	Very low	39.9	Very low	70 Å²	70	88.2 Å²	88.2	49%	0.49	47%	0.465	S	S	.	.	H	α-helix	trans	-57.4	-33.9	-163.2	-150	0	0	0	0	113.6	L336 I340 C341 Q342	L336-S338 PolarHBondContact O-N 2.77Å; S338-I340 VanDerWaalsContact C-N 3.31Å; S338-I340 PolarHBondContact O-N 3Å; S338-C341 CarbonylContact O-C 3.17Å; S338-C341 PolarHBondContact O-N 3.47Å; S338-Q342 VanDerWaalsContact O-CB 3.24Å; S338-Q342 WeakPolarHBondContact O-CB 3.3Å; S338-Q342 WeakPolarHBondContact O-CG 3.33Å; S338-Q342 PolarHBondContact O-N 3.45Å; S338-Q342 PolarHBondContact OG-NE2 3.03Å
339	A	48.1	Very low	41.2	Very low	44 Å²	44	84.5 Å²	84.5	36%	0.364	44%	0.437	S	S	.	.	H	α-helix	trans	-60.2	-34.6	172.8	0	0	0	0	0	114	P337 A343 L352 F359	P337-A339 PolarHBondContact O-N 2.99Å; A339-A343 PolarHBondContact O-N 3.21Å; A339-L352 HydrophobicContact CB-CD1 4.43Å; A339-L352 HydrophobicContact CB-CD2 4.48Å; A339-F359 HydrophobicContact CB-CE2 3.94Å; A339-F359 HydrophobicContact CB-CZ 4.24Å
340	I	49.5	Very low	42.5	Very low	15 Å²	15	80.9 Å²	80.9	8%	0.077	42%	0.418	C	S	.	.	H	α-helix	trans	-78.4	-37.9	175.7	-62.2	172.1	0	0	0	110.6	F312 L336 P337 S338 Q342 A343 L349 L352 F359	F312-I340 HydrophobicContact CE1-CD1 3.9Å; F312-I340 HydrophobicContact CZ-CD1 4.14Å; F312-I340 HydrophobicContact CZ-CG2 4.02Å; L336-I340 HydrophobicContact CB-CB 4.21Å; L336-I340 HydrophobicContact CB-CG2 3.98Å; L336-I340 HydrophobicContact CD1-CG2 3.96Å; L336-I340 HydrophobicContact CD2-CG2 4.45Å; L336-I340 HydrophobicContact CG-CG2 4.35Å; P337-I340 HydrophobicContact CB-CD1 4.38Å; P337-I340 HydrophobicContact CG-CD1 4.17Å; P337-I340 WeakPolarHBondContact O-CA 3.49Å; P337-I340 WeakPolarHBondContact O-CB 3.45Å; P337-I340 PolarHBondContact O-N 2.98Å; S338-I340 VanDerWaalsContact C-N 3.31Å; S338-I340 PolarHBondContact O-N 3Å; I340-Q342 PolarHBondContact O-N 3.38Å; I340-A343 PolarHBondContact O-N 3.19Å; I340-L349 HydrophobicContact CG2-CD1 4.03Å; I340-L352 HydrophobicContact CG1-CD1 3.99Å; I340-F359 HydrophobicContact CD1-CE1 4.14Å; I340-F359 HydrophobicContact CD1-CZ 4.29Å; I340-F359 HydrophobicContact CG1-CZ 4.29Å
341	C	43	Very low	44.1	Very low	60 Å²	60	75.4 Å²	75.4	41%	0.405	40%	0.402	S	S	.	.	H	α-helix	trans	-68.3	-20.5	170.6	-89.9	0	0	0	0	113.9	L336 P337 S338	L336-C341 PolarHBondContact O-SG 3.23Å; P337-C341 PolarHBondContact O-N 3.32Å; P337-C341 VanDerWaalsContact O-N 3.08Å; S338-C341 CarbonylContact O-C 3.17Å; S338-C341 PolarHBondContact O-N 3.47Å
342	Q	43.5	Very low	45.6	Very low	86 Å²	86	71.7 Å²	71.7	40%	0.402	37%	0.367	S	S	.	.	H	α-helix	trans	-95.3	-19.1	178.3	-71.1	173.5	35.2	0	0	112.8	S338 I340 K344	S338-Q342 VanDerWaalsContact O-CB 3.24Å; S338-Q342 WeakPolarHBondContact O-CB 3.3Å; S338-Q342 WeakPolarHBondContact O-CG 3.33Å; S338-Q342 PolarHBondContact O-N 3.45Å; S338-Q342 PolarHBondContact OG-NE2 3.03Å; I340-Q342 PolarHBondContact O-N 3.38Å; Q342-K344 VanDerWaalsContact O-CD 3.31Å; Q342-K344 WeakPolarHBondContact O-CD 3.06Å; Q342-K344 WeakPolarHBondContact O-CG 3.4Å; Q342-K344 PolarHBondContact O-N 2.89Å
343	A	46.5	Very low	46.8	Very low	26 Å²	26	70.3 Å²	70.3	22%	0.215	35%	0.354	C	S	.	.			trans	-61.1	106.3	175.7	0	0	0	0	0	110.7	A339 I340 E348 L349 L352	A339-A343 PolarHBondContact O-N 3.21Å; I340-A343 PolarHBondContact O-N 3.19Å; A343-E348 WeakPolarHBondContact CA-OE2 3.05Å; A343-E348 HydrophobicContact CB-CB 4.05Å; A343-L349 HydrophobicContact CB-CB 4.47Å; A343-L349 HydrophobicContact CB-CD1 4.43Å; A343-L352 HydrophobicContact CB-CD1 4.36Å
344	K	42.7	Very low	47.9	Very low	108 Å²	108	71.1 Å²	71.1	47%	0.47	36%	0.358	S	S	.	.			trans	-86.5	-23.8	-179.1	-63	117.3	138.9	-75.6	0	112.6	Q342 E348 R415	Q342-K344 VanDerWaalsContact O-CD 3.31Å; Q342-K344 WeakPolarHBondContact O-CD 3.06Å; Q342-K344 WeakPolarHBondContact O-CG 3.4Å; Q342-K344 PolarHBondContact O-N 2.89Å; K344-E348 PolarHBondContact N-OE2 3.12Å; K344-R415 VanDerWaalsContact CE-O 3.23Å; K344-R415 WeakPolarHBondContact CE-O 3.32Å; K344-R415 PolarHBondContact NZ-O 3.09Å
345	T	50.5	Low	48.7	Very low	65 Å²	65	75.5 Å²	75.5	40%	0.399	38%	0.378	S	S	.	.	S	Bend	trans	-119	151	179.5	75.3	0	0	0	0	112.5	K347 E348 L349	T345-K347 PolarHBondContact O-N 2.87Å; T345-K347 PolarHBondContact OG1-N 2.72Å; T345-E348 VanDerWaalsContact CB-OE1 3.26Å; T345-E348 WeakPolarHBondContact CB-OE1 3.46Å; T345-E348 WeakPolarHBondContact CG2-OE1 3.48Å; T345-E348 PolarHBondContact N-OE1 3.28Å; T345-E348 PolarHBondContact N-OE2 3.04Å; T345-E348 PolarHBondContact O-N 3.06Å; T345-E348 VanDerWaalsContact OG1-CD 3.26Å; T345-E348 PolarHBondContact OG1-N 2.78Å; T345-E348 PolarHBondContact OG1-OE1 3.18Å; T345-L349 PolarHBondContact O-N 3.12Å; T345-L349 VanDerWaalsContact O-N 3.14Å
346	M	45.1	Very low	49.7	Very low	116 Å²	116	67.5 Å²	67.5	57%	0.571	35%	0.353	S	S	*	.	H	α-helix	trans	-54.8	-24.9	168.8	-168.5	63.2	67.7	0	0	111.9	L310 L349 D350	L310-M346 HydrophobicContact CD2-CE 3.91Å; L310-M346 HydrophobicContact CD2-SD 3.67Å; M346-L349 HydrophobicContact SD-CD2 4.46Å; M346-D350 WeakPolarHBondContact O-CB 3.36Å; M346-D350 PolarHBondContact O-N 3.32Å
347	K	52.5	Low	49.6	Very low	165 Å²	165	70.3 Å²	70.3	72%	0.717	37%	0.368	S	S	*	.	H	α-helix	trans	-75.8	-40.8	-178.2	-147.4	176	-172.6	179.2	0	112.3	T345 D350 Q351	T345-K347 PolarHBondContact O-N 2.87Å; T345-K347 PolarHBondContact OG1-N 2.72Å; K347-D350 PolarHBondContact O-N 2.78Å; K347-Q351 WeakPolarHBondContact O-CG 3.48Å; K347-Q351 PolarHBondContact O-N 3.13Å; K347-Q351 PolarHBondContact O-OE1 2.77Å
348	E	53.3	Low	49.5	Very low	58 Å²	58	77.6 Å²	77.6	27%	0.271	40%	0.398	S	S	.	.	H	α-helix	trans	-62.3	-46.9	169.1	-71	137.6	-118.8	0	0	110.6	A343 K344 T345 D350 Q351 L352	A343-E348 WeakPolarHBondContact CA-OE2 3.05Å; A343-E348 HydrophobicContact CB-CB 4.05Å; K344-E348 PolarHBondContact N-OE2 3.12Å; T345-E348 VanDerWaalsContact CB-OE1 3.26Å; T345-E348 WeakPolarHBondContact CB-OE1 3.46Å; T345-E348 WeakPolarHBondContact CG2-OE1 3.48Å; T345-E348 PolarHBondContact N-OE1 3.28Å; T345-E348 PolarHBondContact N-OE2 3.04Å; T345-E348 PolarHBondContact O-N 3.06Å; T345-E348 VanDerWaalsContact OG1-CD 3.26Å; T345-E348 PolarHBondContact OG1-N 2.78Å; T345-E348 PolarHBondContact OG1-OE1 3.18Å; E348-D350 VanDerWaalsContact C-N 3.3Å; E348-D350 PolarHBondContact O-N 3.46Å; E348-Q351 WeakPolarHBondContact O-CA 3.42Å; E348-Q351 WeakPolarHBondContact O-CB 3.2Å; E348-Q351 PolarHBondContact O-N 3.04Å; E348-L352 WeakPolarHBondContact O-CG 3.25Å; E348-L352 PolarHBondContact O-N 3.37Å
349	L	52.5	Low	49.8	Very low	27 Å²	27	76.4 Å²	76.4	14%	0.141	38%	0.384	C	S	.	.	H	α-helix	trans	-62.8	-37.7	179.6	-165.9	62.3	0	0	0	112	L310 F312 I340 A343 T345 M346 L352 N353	L310-L349 HydrophobicContact CD1-CD2 4.17Å; L310-L349 HydrophobicContact CD2-CD2 3.6Å; F312-L349 HydrophobicContact CE1-CD1 4.22Å; F312-L349 HydrophobicContact CZ-CD1 3.87Å; I340-L349 HydrophobicContact CG2-CD1 4.03Å; A343-L349 HydrophobicContact CB-CB 4.47Å; A343-L349 HydrophobicContact CB-CD1 4.43Å; T345-L349 PolarHBondContact O-N 3.12Å; T345-L349 VanDerWaalsContact O-N 3.14Å; M346-L349 HydrophobicContact SD-CD2 4.46Å; L349-L352 PolarHBondContact O-N 2.89Å; L349-N353 WeakPolarHBondContact O-CB 3.05Å; L349-N353 PolarHBondContact O-N 2.89Å
350	D	52.9	Low	49.7	Very low	66 Å²	66	77.4 Å²	77.4	35%	0.353	38%	0.378	S	S	.	.	H	α-helix	trans	-74.9	-22.8	174.3	-164.9	40.3	0	0	0	112.4	M346 K347 E348 K354	M346-D350 WeakPolarHBondContact O-CB 3.36Å; M346-D350 PolarHBondContact O-N 3.32Å; K347-D350 PolarHBondContact O-N 2.78Å; E348-D350 VanDerWaalsContact C-N 3.3Å; E348-D350 PolarHBondContact O-N 3.46Å; D350-K354 WeakPolarHBondContact O-CB 3.16Å; D350-K354 WeakPolarHBondContact O-CD 3.43Å; D350-K354 WeakPolarHBondContact O-CE 3.03Å; D350-K354 WeakPolarHBondContact O-CG 3.26Å; D350-K354 PolarHBondContact O-N 3.22Å; D350-K354 WeakPolarHBondContact OD2-CE 3.35Å; D350-K354 IonicContact OD2-NZ 2.67Å; D350-K354 PolarHBondContact OD2-NZ 2.97Å
351	Q	58.5	Low	49.1	Very low	115 Å²	115	83.5 Å²	83.5	54%	0.537	40%	0.404	S	S	.	.	H	α-helix	trans	-71.7	-42.2	166.5	-79.7	173.5	-92.8	0	0	111.9	K347 E348 K354 Q355	K347-Q351 WeakPolarHBondContact O-CG 3.48Å; K347-Q351 PolarHBondContact O-N 3.13Å; K347-Q351 PolarHBondContact O-OE1 2.77Å; E348-Q351 WeakPolarHBondContact O-CA 3.42Å; E348-Q351 WeakPolarHBondContact O-CB 3.2Å; E348-Q351 PolarHBondContact O-N 3.04Å; Q351-K354 PolarHBondContact O-N 2.88Å; Q351-Q355 PolarHBondContact O-N 3.15Å
352	L	57.4	Low	48.8	Very low	28 Å²	28	85.3 Å²	85.3	15%	0.147	42%	0.417	C	S	.	.	H	α-helix	trans	-61.8	-43.2	172.3	-63.4	172.8	0	0	0	110.8	A339 I340 A343 E348 L349 K354 Q355 G356 F359	A339-L352 HydrophobicContact CB-CD1 4.43Å; A339-L352 HydrophobicContact CB-CD2 4.48Å; I340-L352 HydrophobicContact CG1-CD1 3.99Å; A343-L352 HydrophobicContact CB-CD1 4.36Å; E348-L352 WeakPolarHBondContact O-CG 3.25Å; E348-L352 PolarHBondContact O-N 3.37Å; L349-L352 PolarHBondContact O-N 2.89Å; L352-K354 VanDerWaalsContact C-N 3.27Å; L352-K354 PolarHBondContact O-N 2.77Å; L352-Q355 WeakPolarHBondContact O-CB 3.11Å; L352-Q355 PolarHBondContact O-N 3.28Å; L352-Q355 VanDerWaalsContact O-N 3.17Å; L352-G356 PolarHBondContact O-N 3.11Å; L352-G356 VanDerWaalsContact O-N 3.14Å; L352-F359 HydrophobicContact CD2-CD2 3.76Å; L352-F359 HydrophobicContact CD2-CE2 3.73Å
353	N	51.4	Low	48.1	Very low	44 Å²	44	87.7 Å²	87.7	24%	0.235	43%	0.433	C	S	.	.	H	α-helix	trans	-63.5	-30.5	174.9	-153.7	17.6	0	0	0	112.5	I311 K313 L349 G356	I311-N353 PolarHBondContact O-ND2 3.22Å; K313-N353 PolarHBondContact N-OD1 3.37Å; L349-N353 WeakPolarHBondContact O-CB 3.05Å; L349-N353 PolarHBondContact O-N 2.89Å; N353-G356 PolarHBondContact O-N 3.43Å
354	K	55.2	Low	47.1	Very low	142 Å²	142	94.3 Å²	94.3	62%	0.617	47%	0.465	S	S	*	.	H	α-helix	trans	-76.9	-28.3	173.3	-75.5	160.6	-160.7	160.7	0	114	D350 Q351 L352 G356	D350-K354 WeakPolarHBondContact O-CB 3.16Å; D350-K354 WeakPolarHBondContact O-CD 3.43Å; D350-K354 WeakPolarHBondContact O-CE 3.03Å; D350-K354 WeakPolarHBondContact O-CG 3.26Å; D350-K354 PolarHBondContact O-N 3.22Å; D350-K354 WeakPolarHBondContact OD2-CE 3.35Å; D350-K354 IonicContact OD2-NZ 2.67Å; D350-K354 PolarHBondContact OD2-NZ 2.97Å; Q351-K354 PolarHBondContact O-N 2.88Å; L352-K354 VanDerWaalsContact C-N 3.27Å; L352-K354 PolarHBondContact O-N 2.77Å; K354-G356 VanDerWaalsContact C-N 3.3Å
355	Q	54.7	Low	46.2	Very low	106 Å²	106	96 Å²	96	50%	0.495	48%	0.479	S	S	.	.	H	α-helix	trans	-67.8	-34	168.8	-70.6	176.1	-5.2	0	0	111.1	Q351 L352 I357 K358 F359	Q351-Q355 PolarHBondContact O-N 3.15Å; L352-Q355 WeakPolarHBondContact O-CB 3.11Å; L352-Q355 PolarHBondContact O-N 3.28Å; L352-Q355 VanDerWaalsContact O-N 3.17Å; Q355-I357 PolarHBondContact O-N 3.01Å; Q355-K358 WeakPolarHBondContact O-CB 3.43Å; Q355-K358 PolarHBondContact O-N 3.41Å; Q355-F359 HydrophobicContact CB-CB 3.92Å
356	G	55.1	Low	45	Very low	19 Å²	19	104.4 Å²	104.4	20%	0.196	50%	0.503	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	-127.9	170.6	0	0	0	0	0	112.3	L352 N353 K354 K358 F359	L352-G356 PolarHBondContact O-N 3.11Å; L352-G356 VanDerWaalsContact O-N 3.14Å; N353-G356 PolarHBondContact O-N 3.43Å; K354-G356 VanDerWaalsContact C-N 3.3Å; G356-K358 PolarHBondContact O-N 3.08Å; G356-K358 VanDerWaalsContact O-N 3.15Å; G356-F359 WeakPolarHBondContact O-CB 3.45Å; G356-F359 PolarHBondContact O-N 3.01Å; G356-F359 VanDerWaalsContact O-N 3.11Å
357	I	39	Very low	44	Very low	100 Å²	100	106.2 Å²	106.2	51%	0.513	52%	0.516	S	S	.	.	H	α-helix	trans	-56.9	-29.9	178.2	-66.7	168.2	0	0	0	112.2	H317 Q355 F359 W360 K361	H317-I357 WeakPolarHBondContact NE2-CG1 3.34Å; Q355-I357 PolarHBondContact O-N 3.01Å; I357-F359 VanDerWaalsContact C-N 3.32Å; I357-F359 PolarHBondContact O-N 3.17Å; I357-W360 CarbonylContact O-C 3.31Å; I357-W360 PolarHBondContact O-N 3.35Å; I357-W360 VanDerWaalsContact O-N 3.09Å; I357-K361 HydrophobicContact CG2-CB 4.45Å; I357-K361 HydrophobicContact CG2-CD 3.84Å; I357-K361 HydrophobicContact CG2-CG 3.82Å; I357-K361 WeakPolarHBondContact O-CB 3.45Å; I357-K361 PolarHBondContact O-N 3.37Å
358	K	42.1	Very low	42.7	Very low	170 Å²	170	104 Å²	104	74%	0.739	52%	0.516	S	S	*	.	H	α-helix	trans	-66.9	-30.6	179.2	-69.8	-168.7	173.7	-171.5	0	113.3	Q355 G356 W360 K361 S362	Q355-K358 WeakPolarHBondContact O-CB 3.43Å; Q355-K358 PolarHBondContact O-N 3.41Å; G356-K358 PolarHBondContact O-N 3.08Å; G356-K358 VanDerWaalsContact O-N 3.15Å; K358-W360 PolarHBondContact O-N 3.49Å; K358-K361 PolarHBondContact O-N 3.18Å; K358-S362 PolarHBondContact O-N 3.49Å
359	F	51.7	Low	41.2	Very low	44 Å²	44	108.3 Å²	108.3	19%	0.193	54%	0.54	C	S	.	.	H	α-helix	trans	-63.3	-28.8	173.1	170.9	-102.1	0	0	0	112.1	P337 A339 I340 L352 Q355 G356 I357	P337-F359 HydrophobicContact CB-CZ 4.45Å; A339-F359 HydrophobicContact CB-CE2 3.94Å; A339-F359 HydrophobicContact CB-CZ 4.24Å; I340-F359 HydrophobicContact CD1-CE1 4.14Å; I340-F359 HydrophobicContact CD1-CZ 4.29Å; I340-F359 HydrophobicContact CG1-CZ 4.29Å; L352-F359 HydrophobicContact CD2-CD2 3.76Å; L352-F359 HydrophobicContact CD2-CE2 3.73Å; Q355-F359 HydrophobicContact CB-CB 3.92Å; G356-F359 WeakPolarHBondContact O-CB 3.45Å; G356-F359 PolarHBondContact O-N 3.01Å; G356-F359 VanDerWaalsContact O-N 3.11Å; I357-F359 VanDerWaalsContact C-N 3.32Å; I357-F359 PolarHBondContact O-N 3.17Å
360	W	46.4	Very low	39.8	Very low	66 Å²	66	111.4 Å²	111.4	25%	0.25	57%	0.565	C	S	.	*	H	α-helix	trans	-96.6	-12.1	177.8	-54.9	105.9	0	0	0	114	S314 H317 L318 F321 P337 I357 K358	S314-W360 PolarHBondContact OG-NE1 2.97Å; H317-W360 HydrophobicContact CB-CD2 3.97Å; H317-W360 HydrophobicContact CB-CG 3.95Å; H317-W360 HydrophobicContact CB-CZ2 4.24Å; H317-W360 AromaticContact CD2-CD1 3.61Å; H317-W360 AromaticContact CD2-NE1 3.91Å; H317-W360 AromaticContact CG-CD1 3.93Å; L318-W360 HydrophobicContact CD1-CH2 4.09Å; F321-W360 HydrophobicContact CB-CE3 4.33Å; F321-W360 HydrophobicContact CB-CH2 4.09Å; F321-W360 HydrophobicContact CB-CZ3 3.6Å; F321-W360 HydrophobicContact CD2-CE3 4.4Å; F321-W360 AromaticContact CD2-CZ3 3.78Å; F321-W360 HydrophobicContact CD2-CZ3 3.78Å; F321-W360 HydrophobicContact CG-CH2 4.37Å; F321-W360 AromaticContact CG-CZ3 3.72Å; F321-W360 HydrophobicContact CG-CZ3 3.72Å; P337-W360 HydrophobicContact CG-CH2 3.85Å; P337-W360 HydrophobicContact CG-CZ3 4.02Å; I357-W360 CarbonylContact O-C 3.31Å; I357-W360 PolarHBondContact O-N 3.35Å; I357-W360 VanDerWaalsContact O-N 3.09Å; K358-W360 PolarHBondContact O-N 3.49Å
361	K	37.1	Very low	38.4	Very low	143 Å²	143	118 Å²	118	62%	0.622	59%	0.59	S	S	*	*	H	α-helix	trans	-111.4	-1.6	-176	-82.1	-154.2	173.3	-155.2	0	115.5	I357 K358 N363	I357-K361 HydrophobicContact CG2-CB 4.45Å; I357-K361 HydrophobicContact CG2-CD 3.84Å; I357-K361 HydrophobicContact CG2-CG 3.82Å; I357-K361 WeakPolarHBondContact O-CB 3.45Å; I357-K361 PolarHBondContact O-N 3.37Å; K358-K361 PolarHBondContact O-N 3.18Å; K361-N363 PolarHBondContact O-N 3.32Å
362	S	36.5	Very low	36.8	Very low	97 Å²	97	117.2 Å²	117.2	68%	0.678	60%	0.595	S	S	*	*	S	Bend	trans	-75.7	85.2	179.4	58	0	0	0	0	112.1	K358	K358-S362 PolarHBondContact O-N 3.49Å
363	N	28.4	Very low	35	Very low	137 Å²	137	120.6 Å²	120.6	73%	0.733	62%	0.621	S	S	*	*			trans	28.7	117.8	170.3	-72.4	23.6	0	0	0	119.1	K361 N365	K361-N363 PolarHBondContact O-N 3.32Å; N363-N365 VanDerWaalsContact C-N 3.33Å; N363-N365 PolarHBondContact O-N 2.88Å
364	N	26.2	Very low	33.6	Very low	164 Å²	164	125.4 Å²	125.4	88%	0.877	65%	0.646	S	S	*	*	S	Bend		10.8	70.2	120.6	-61.4	3.1	0	0	0	116.6
365	N	23.2	Very low	32.2	Very low	145 Å²	145	127.8 Å²	127.8	78%	0.775	66%	0.656	S	S	*	*			trans	-159.8	51.3	158.8	-113.5	-13.1	0	0	0	111.4	N363	N363-N365 VanDerWaalsContact C-N 3.33Å; N363-N365 PolarHBondContact O-N 2.88Å
366	W	26.6	Very low	30.6	Very low	240 Å²	240	127.8 Å²	127.8	91%	0.909	67%	0.668	S	S	*	*			trans	-116.7	32.2	161.7	-77.1	63.5	0	0	0	110.2
367	N	22.8	Very low	29.3	Very low	155 Å²	155	132.6 Å²	132.6	83%	0.829	70%	0.696	S	S	*	*	S	Bend	trans	-73.6	145.4	163.7	-150.2	-5.8	0	0	0	108.4	D369	N367-D369 PolarHBondContact O-N 3.37Å
368	V	25.8	Very low	28.6	Very low	118 Å²	118	135.3 Å²	135.3	72%	0.715	71%	0.71	S	S	*	*			trans	-81.2	113	-158.1	177.8	0	0	0	0	112.2	S370	V368-S370 PolarHBondContact O-N 2.98Å
369	D	21.1	Very low	27.6	Very low	148 Å²	148	136.5 Å²	136.5	79%	0.791	72%	0.716	S	S	*	*			trans	-60.6	124.6	158.8	-107.1	-30.6	0	0	0	109.7	N367	N367-D369 PolarHBondContact O-N 3.37Å
370	S	22.9	Very low	26.7	Very low	93 Å²	93	139 Å²	139	65%	0.65	74%	0.737	S	S	*	*			trans	68.1	102.7	172.1	73.2	0	0	0	0	118.2	V368	V368-S370 PolarHBondContact O-N 2.98Å
371	K	24.9	Very low	25.4	Very low	204 Å²	204	143.3 Å²	143.3	89%	0.887	77%	0.765	S	S	*	*				-67.5	132.8	124.2	-77.6	179.2	175.6	175.6	0	106.7
372	P	23.3	Very low	24.7	Very low	98 Å²	98	141.7 Å²	141.7	64%	0.636	77%	0.771	S	S	*	*				-103.1	160.6	100.2	-18.7	36.2	0	0	0	111.1
373	S	21.6	Very low	24	Very low	100 Å²	100	146.2 Å²	146.2	70%	0.699	78%	0.779	S	S	*	*			cis	65.5	134.5	46.2	129.8	0	0	0	0	112
374	L	22.1	Very low	23.6	Very low	145 Å²	145	146 Å²	146	76%	0.759	78%	0.777	S	S	*	*			cis	-163.1	161.5	-1.6	-123.5	166.8	0	0	0	108.7
375	K	23.9	Very low	23.5	Very low	191 Å²	191	147.8 Å²	147.8	83%	0.83	78%	0.777	S	S	*	*			trans	69.5	152.5	176.1	-51.2	169.4	-176.3	-179.5	0	114.1
376	S	21.8	Very low	23.6	Very low	106 Å²	106	147 Å²	147	74%	0.741	78%	0.778	S	S	*	*			cis	-158.6	159	-12.4	33.4	0	0	0	0	109.3
377	P	28.6	Very low	23.4	Very low	121 Å²	121	139.7 Å²	139.7	79%	0.786	76%	0.763	S	S	*	*			trans	-88.1	149.7	-172.4	34.8	-35.6	0	0	0	114.3
378	L	23.3	Very low	23.3	Very low	156 Å²	156	140.7 Å²	140.7	82%	0.817	76%	0.763	S	S	*	*			trans	-161.2	116.6	163.4	-105	136.1	0	0	0	113.2
379	F	21.5	Very low	23.2	Very low	195 Å²	195	140.7 Å²	140.7	86%	0.855	77%	0.768	S	S	*	*			trans	43.5	162.9	137.2	-72	-90	0	0	0	124.2
380	P	32.6	Very low	23.6	Very low	97 Å²	97	138.7 Å²	138.7	63%	0.63	77%	0.766	S	S	*	*			trans	-119.2	-161.2	-158.9	46.3	-36.3	0	0	0	115
381	N	19.8	Very low	23.7	Very low	156 Å²	156	142.4 Å²	142.4	83%	0.834	78%	0.775	S	S	*	*			trans	76.6	152.3	159.2	-76.4	-9.8	0	0	0	120
382	S	22.7	Very low	23.8	Very low	109 Å²	109	141.6 Å²	141.6	76%	0.762	77%	0.771	S	S	*	*			trans	-87.6	128.9	167.7	46.7	0	0	0	0	110.6
383	K	20.9	Very low	24.1	Very low	192 Å²	192	141.8 Å²	141.8	84%	0.835	78%	0.775	S	S	*	*				-166.1	145.2	127.6	-110.4	171.9	-178.4	179.8	0	112.3
384	L	20.4	Very low	24.7	Very low	134 Å²	134	141.7 Å²	141.7	70%	0.702	77%	0.774	S	S	*	*			trans	22.2	117.4	146.9	-84.4	49.8	0	0	0	118.1
385	F	23.8	Very low	25.1	Very low	201 Å²	201	142 Å²	142	88%	0.882	78%	0.776	S	S	*	*				65	81.2	84.9	-84.3	-80.1	0	0	0	113.1
386	T	24.2	Very low	25	Very low	128 Å²	128	140.3 Å²	140.3	79%	0.785	78%	0.775	S	S	*	*			trans	-114.5	111	136.7	50.3	0	0	0	0	108.2
387	S	22.7	Very low	25.1	Very low	86 Å²	86	146.6 Å²	146.6	60%	0.601	78%	0.782	S	S	*	*			trans	36.5	107.4	135.7	57.9	0	0	0	0	117.4
388	E	22.2	Very low	25.1	Very low	177 Å²	177	148 Å²	148	83%	0.827	78%	0.783	S	S	*	*				62.7	110	77.9	-66.8	-169.5	125.4	0	0	114.8
389	S	23.6	Very low	25	Very low	118 Å²	118	149 Å²	149	83%	0.825	78%	0.783	S	S	*	*				-172	172.7	125	40.7	0	0	0	0	109.5
390	S	29.6	Very low	25.2	Very low	106 Å²	106	146.9 Å²	146.9	74%	0.741	78%	0.776	S	S	*	*	S	Bend	trans	56.8	58.3	178.5	-156.4	0	0	0	0	114.8
391	M	24.1	Very low	24.9	Very low	171 Å²	171	148.7 Å²	148.7	84%	0.842	78%	0.78	S	S	*	*				70	111.7	90.9	-63.6	170.4	176.4	0	0	113
392	K	27.2	Very low	25.6	Very low	186 Å²	186	145.7 Å²	145.7	81%	0.809	77%	0.772	S	S	*	*				67.3	116.6	55.8	-68	-173.9	174.1	170.3	0	114.9
393	S	29.8	Very low	26.1	Very low	103 Å²	103	147.2 Å²	147.2	72%	0.72	77%	0.772	S	S	*	*			trans	43.7	99.3	150.6	56.7	0	0	0	0	119.6
394	S	33.7	Very low	26.8	Very low	97 Å²	97	146 Å²	146	68%	0.678	77%	0.771	S	S	*	*			trans	64.1	118.2	133.8	60.1	0	0	0	0	121.4
395	I	29.9	Very low	27	Very low	153 Å²	153	143.8 Å²	143.8	79%	0.785	77%	0.767	S	S	*	*			trans	89.7	140.5	133.8	-68.8	168.6	0	0	0	118.3
396	L	23.1	Very low	27.2	Very low	155 Å²	155	139.5 Å²	139.5	81%	0.812	76%	0.757	S	S	*	*			trans	63.2	120.5	176.5	-69.5	159.6	0	0	0	115.5
397	R	24.4	Very low	27.2	Very low	238 Å²	238	139 Å²	139	90%	0.898	75%	0.749	S	S	*	*			cis	-137	130.9	46.4	-70.2	175.9	178.6	-177.3	-2.3	114
398	N	27.4	Very low	27.4	Very low	149 Å²	149	139 Å²	139	80%	0.797	74%	0.74	S	S	*	*			trans	-75.2	141.8	146.3	-76.8	-25.1	0	0	0	108
399	Q	22.6	Very low	27.5	Very low	178 Å²	178	136.5 Å²	136.5	83%	0.832	73%	0.731	S	S	*	*			trans	159.6	132.4	149.4	-92.2	167.6	5.6	0	0	107.2
400	Q	24	Very low	27.6	Very low	150 Å²	150	134.4 Å²	134.4	70%	0.701	72%	0.716	S	S	*	*			cis	-136	154.2	8.4	-102.8	164.8	-77.8	0	0	112.9
401	D	27.2	Very low	27.5	Very low	135 Å²	135	132.6 Å²	132.6	72%	0.722	70%	0.696	S	S	*	*			trans	47	115.4	138.4	-48.1	-23.1	0	0	0	117.5
402	S	35	Very low	27.5	Very low	94 Å²	94	129.6 Å²	129.6	66%	0.657	68%	0.68	S	S	*	*			cis	-167.7	163.6	29.2	60.1	0	0	0	0	115.2
403	N	32.4	Very low	27.2	Very low	141 Å²	141	125.8 Å²	125.8	75%	0.754	67%	0.665	S	S	*	*			trans	68.8	128.7	145	-68.5	-27	0	0	0	120.8
404	M	35.7	Very low	27	Very low	166 Å²	166	126.6 Å²	126.6	82%	0.818	67%	0.666	S	S	*	*			trans	71.8	100.5	156.6	-66.5	-166.4	72.9	0	0	116.8
405	S	25.5	Very low	26.5	Very low	88 Å²	88	130.1 Å²	130.1	62%	0.615	66%	0.664	S	S	*	*				69.1	143.2	76.2	91.7	0	0	0	0	112.2
406	V	27.4	Very low	26.3	Very low	110 Å²	110	130.9 Å²	130.9	67%	0.667	66%	0.664	S	S	*	*			cis	-172.9	160	2.4	111.8	0	0	0	0	105.9
407	N	23.4	Very low	26.6	Very low	119 Å²	119	133 Å²	133	64%	0.636	66%	0.663	S	S	*	*			trans	61.8	175.7	170.4	-72.4	-32.3	0	0	0	113.7
408	Q	27.1	Very low	27.4	Very low	86 Å²	86	126.4 Å²	126.4	40%	0.402	65%	0.651	S	S	.	*			cis	-143.5	139.2	-21.6	-124.4	136	25.2	0	0	110	I2325	Q408-I2325 HydrophobicContact CG-CD1 4.34Å; Q408-I2325 HydrophobicContact CG-CG1 4.27Å
409	I	24.6	Very low	27.2	Very low	124 Å²	124	129.3 Å²	129.3	64%	0.636	65%	0.651	S	S	*	*				22.2	130.7	120.1	-48.2	170.9	0	0	0	117.1
410	S	26.2	Very low	27.1	Very low	74 Å²	74	131.1 Å²	131.1	52%	0.517	65%	0.65	S	S	.	*			trans	95.5	159.7	154.5	-130.1	0	0	0	0	120.4
411	Q	26.4	Very low	27.2	Very low	67 Å²	67	132.8 Å²	132.8	31%	0.313	65%	0.65	S	S	.	*			trans	74.4	111.1	145.4	-78.8	151.2	32.4	0	0	122.7	D2320	Q411-D2320 HydrophobicContact CG-CB 3.93Å; Q411-D2320 WeakPolarHBondContact CG-OD2 3.41Å; Q411-D2320 VanDerWaalsContact NE2-CG 3.29Å; Q411-D2320 PolarHBondContact NE2-OD1 3.17Å
412	Q	24.3	Very low	27.1	Very low	109 Å²	109	133.1 Å²	133.1	51%	0.509	65%	0.647	S	S	.	*				88.9	114.5	118.5	-76.6	-178.6	-10.1	0	0	122.2	D2320	Q412-D2320 HydrophobicContact CG-CB 4.46Å
413	Q	22.3	Very low	26.5	Very low	106 Å²	106	135.6 Å²	135.6	50%	0.495	65%	0.65	S	S	.	*				114.2	141	113.1	-89.7	-170.5	11.3	0	0	122.1
414	T	23.7	Very low	26.1	Very low	120 Å²	120	135.7 Å²	135.7	74%	0.736	65%	0.651	S	S	*	*			trans	44.3	71.8	151.2	56.1	0	0	0	0	118.9	E416	T414-E416 PolarHBondContact O-N 3.41Å
415	R	25	Very low	25.5	Very low	170 Å²	170	133.2 Å²	133.2	64%	0.642	65%	0.645	S	S	*	*			trans	-70.2	93.4	141.4	168.1	-179.4	157.6	-156.4	-3.3	109.2	K344	K344-R415 VanDerWaalsContact CE-O 3.23Å; K344-R415 WeakPolarHBondContact CE-O 3.32Å; K344-R415 PolarHBondContact NZ-O 3.09Å
416	E	23.9	Very low	25.5	Very low	170 Å²	170	137 Å²	137	79%	0.794	66%	0.656	S	S	*	*			trans	-146.2	123.8	155.6	-151.3	173.5	-100.9	0	0	112.2	T414	T414-E416 PolarHBondContact O-N 3.41Å
417	Y	31.1	Very low	25.6	Very low	199 Å²	199	134.5 Å²	134.5	78%	0.78	65%	0.653	S	S	*	*			trans	-159.9	162.4	173.8	-99	-81.2	0	0	0	102.9
418	P	40.7	Very low	26	Very low	100 Å²	100	135.2 Å²	135.2	65%	0.649	66%	0.657	S	S	*	*			cis	-125.9	-170.1	16.8	36.7	-14.7	0	0	0	111.8
419	R	23.2	Very low	26.1	Very low	210 Å²	210	139.3 Å²	139.3	79%	0.792	67%	0.673	S	S	*	*			cis	-163.7	104.1	28.1	-168.1	-177.7	-169.7	-163.9	1.7	113.3
420	W	20.6	Very low	26.3	Very low	216 Å²	216	140.8 Å²	140.8	82%	0.818	68%	0.675	S	S	*	*			trans	-143.7	144.5	151.7	-89.7	85.3	0	0	0	110.5
421	R	26	Very low	26.4	Very low	185 Å²	185	142 Å²	142	70%	0.698	68%	0.676	S	S	*	*			trans	6.1	116.2	154.5	-59.6	-171.6	-165.9	-131.9	1.7	117.3
422	Q	25	Very low	26.7	Very low	142 Å²	142	146.9 Å²	146.9	66%	0.664	70%	0.698	S	S	*	*				89.2	123.9	81.2	-81.4	173.2	-63.2	0	0	114.2
423	M	21.8	Very low	26.8	Very low	145 Å²	145	150.9 Å²	150.9	71%	0.714	71%	0.714	S	S	*	*			trans	48.5	107.5	131.5	-63.7	169.9	70.9	0	0	117.4
424	N	23.6	Very low	27.1	Very low	144 Å²	144	152.4 Å²	152.4	77%	0.77	73%	0.725	S	S	*	*				79	136.2	92.1	-71.7	1.3	0	0	0	112.5
425	V	23.4	Very low	27.4	Very low	114 Å²	114	151.8 Å²	151.8	69%	0.691	72%	0.721	S	S	*	*			cis	161.5	144.7	-10.3	131.2	0	0	0	0	102.5
426	I	26.5	Very low	27.5	Very low	166 Å²	166	149.2 Å²	149.2	85%	0.851	73%	0.725	S	S	*	*			trans	69.5	122.1	-172.8	-55.5	150.7	0	0	0	113.2
427	G	29.3	Very low	27.5	Very low	59 Å²	59	145.9 Å²	145.9	61%	0.608	72%	0.72	S	S	*	*			cis	131.8	149.3	-21.5	0	0	0	0	0	115.7
428	N	31.8	Very low	27.2	Very low	133 Å²	133	142.5 Å²	142.5	71%	0.711	72%	0.72	S	S	*	*			trans	-167.6	125.6	147.6	-92.8	-38.6	0	0	0	106.7
429	K	28.9	Very low	26.8	Very low	172 Å²	172	143.2 Å²	143.2	75%	0.748	72%	0.723	S	S	*	*				65.8	131	86.7	-66.5	-176.3	-162.1	153.6	0	112.2
430	K	28.9	Very low	27.1	Very low	156 Å²	156	139.5 Å²	139.5	68%	0.678	72%	0.723	S	S	*	*			cis	-164.1	151.1	10.2	-117.9	169.2	157.6	-83.9	0	112.7
431	D	27.8	Very low	27.6	Very low	98 Å²	98	134.9 Å²	134.9	52%	0.524	72%	0.721	S	S	.	*			trans	59.8	160.1	141.6	-52.6	-20.1	0	0	0	124
432	H	33.1	Very low	27.7	Very low	170 Å²	170	137.1 Å²	137.1	79%	0.787	73%	0.73	S	S	*	*			trans	69.7	106.6	169	-45.4	-65.5	0	0	0	116.4
433	K	26.5	Very low	27.7	Very low	193 Å²	193	136.4 Å²	136.4	84%	0.839	73%	0.729	S	S	*	*			cis	88	138.1	38.8	-161.5	-168.5	-179.1	-178.2	0	113
434	L	29.2	Very low	28.3	Very low	139 Å²	139	140.5 Å²	140.5	73%	0.728	74%	0.737	S	S	*	*			trans	102.1	111.2	173.3	-83.7	97.9	0	0	0	120
435	T	29.6	Very low	28.6	Very low	106 Å²	106	140.3 Å²	140.3	65%	0.65	74%	0.743	S	S	*	*				65.1	121	127.1	61.7	0	0	0	0	124.6
436	T	27.3	Very low	28.6	Very low	117 Å²	117	146.3 Å²	146.3	72%	0.718	75%	0.753	S	S	*	*				67.5	109.8	128.8	61	0	0	0	0	123
437	S	23.4	Very low	28.5	Very low	99 Å²	99	142.6 Å²	142.6	69%	0.692	75%	0.748	S	S	*	*				85.2	130.7	114.1	-56.2	0	0	0	0	123.1
438	T	24.4	Very low	28.1	Very low	129 Å²	129	144.5 Å²	144.5	79%	0.791	75%	0.752	S	S	*	*			trans	79	160.3	137.7	41.6	0	0	0	0	123.1
439	T	32.6	Very low	27.8	Very low	115 Å²	115	143.2 Å²	143.2	71%	0.706	75%	0.753	S	S	*	*			trans	85.2	88.4	152.4	23.5	0	0	0	0	121.8
440	T	29.6	Very low	27.5	Very low	131 Å²	131	140.9 Å²	140.9	80%	0.804	75%	0.753	S	S	*	*				73.8	152.9	126.1	48.9	0	0	0	0	121.6
441	P	31.3	Very low	27.2	Very low	119 Å²	119	139.9 Å²	139.9	77%	0.773	76%	0.755	S	S	*	*			trans	-121.2	143.4	-155.7	38	-22.7	0	0	0	115.9
442	R	27.2	Very low	27	Very low	233 Å²	233	140.1 Å²	140.1	88%	0.879	76%	0.756	S	S	*	*			trans	-150.5	129.1	163	-115.6	179.3	173.8	155.9	-1.8	112.6
443	I	26.2	Very low	26.6	Very low	127 Å²	127	142 Å²	142	65%	0.651	76%	0.756	S	S	*	*	S	Bend	trans	48.2	124.2	131.9	-64.4	177.9	0	0	0	119.2
444	R	33.7	Very low	26.5	Very low	231 Å²	231	137.3 Å²	137.3	87%	0.872	75%	0.748	S	S	*	*			trans	67.5	84	164	-61.6	161.6	-162.3	176.1	4	118.4
445	P	29.5	Very low	26.5	Very low	139 Å²	139	137.3 Å²	137.3	90%	0.903	75%	0.747	S	S	*	*			trans	-81.2	148.4	159.2	-4.8	24.2	0	0	0	111.8
446	R	24.2	Very low	26.4	Very low	241 Å²	241	136.9 Å²	136.9	91%	0.909	74%	0.738	S	S	*	*			trans	-137.8	151.6	-179	-178.8	178	178.5	160.8	-0.7	109.5
447	A	23.7	Very low	26.4	Very low	88 Å²	88	137.6 Å²	137.6	73%	0.727	73%	0.732	S	S	*	*			trans	74.7	131.7	167.8	0	0	0	0	0	119.5
448	S	22	Very low	26.6	Very low	99 Å²	99	135.3 Å²	135.3	69%	0.692	71%	0.711	S	S	*	*			trans	25.5	118.2	142.1	59.6	0	0	0	0	122.9
449	S	24.5	Very low	26.7	Very low	105 Å²	105	133.9 Å²	133.9	73%	0.734	69%	0.692	S	S	*	*				75.5	151	121.1	77.2	0	0	0	0	122.4
450	V	22.9	Very low	26.3	Very low	124 Å²	124	133.2 Å²	133.2	75%	0.752	68%	0.681	S	S	*	*			trans	80.6	127.7	159.2	-174.9	0	0	0	0	118.9
451	N	22.9	Very low	26.2	Very low	135 Å²	135	132.5 Å²	132.5	72%	0.722	68%	0.676	S	S	*	*			trans	76.1	136.1	155.2	-81.3	27.7	0	0	0	126.8
452	D	22.8	Very low	26.2	Very low	103 Å²	103	132.3 Å²	132.3	55%	0.551	66%	0.663	S	S	*	*			trans	75.2	127.7	137.4	-79.8	-61.2	0	0	0	124.2
453	R	24.3	Very low	26.2	Very low	209 Å²	209	127.6 Å²	127.6	79%	0.789	66%	0.655	S	S	*	*			trans	58.1	112.6	138.3	-64	166.6	-156.4	-140.5	0.7	118.9
454	S	26.3	Very low	26.4	Very low	94 Å²	94	127.3 Å²	127.3	66%	0.657	65%	0.649	S	S	*	*				71.7	124.9	59.4	79.7	0	0	0	0	115.6
455	I	27.8	Very low	26.2	Very low	139 Å²	139	120.8 Å²	120.8	71%	0.713	63%	0.628	S	S	*	*			trans	158.3	133.4	133.5	-85.1	162.4	0	0	0	114.7
456	Q	27.8	Very low	26.3	Very low	97 Å²	97	122.1 Å²	122.1	45%	0.453	62%	0.62	S	S	.	*			trans	39.4	150.4	153	-67.9	165.4	-107.7	0	0	126.7
457	H	27.2	Very low	26.6	Very low	132 Å²	132	115.3 Å²	115.3	61%	0.611	60%	0.598	S	S	*	*			trans	-31.7	163.5	141.2	-53.6	-88.1	0	0	0	114.3
458	H	28.7	Very low	27	Very low	51 Å²	51	117.8 Å²	117.8	24%	0.236	60%	0.598	C	S	.	*				176.6	107.6	64.5	-164.4	-3.8	0	0	0	115	K2315 S2321	H458-K2315 VanDerWaalsContact CB-CE 3.43Å; H458-K2315 WeakPolarHBondContact CD2-CE 3.25Å; H458-K2315 PolarHBondContact CD2-NZ 3.41Å; H458-K2315 WeakPolarHBondContact CE1-CD 3.3Å; H458-K2315 WeakPolarHBondContact CE1-CE 3.24Å; H458-K2315 PolarHBondContact CE1-NZ 3.49Å; H458-K2315 WeakPolarHBondContact ND1-CD 3.34Å; H458-K2315 WeakPolarHBondContact ND1-CE 3.41Å; H458-K2315 PolarHBondContact ND1-NZ 3.42Å; H458-K2315 WeakPolarHBondContact NE2-CD 3.48Å; H458-K2315 WeakPolarHBondContact NE2-CE 3.48Å; H458-K2315 PolarHBondContact NE2-NZ 3.42Å; H458-S2321 PolarHBondContact CD2-N 3.31Å; H458-S2321 PolarHBondContact CD2-OG 2.78Å
459	Y	25.4	Very low	27.1	Very low	100 Å²	100	121.5 Å²	121.5	39%	0.392	60%	0.604	S	S	.	*			trans	87.4	123.6	148.5	-100.5	-137.1	0	0	0	125.9	N2313 V2314	Y459-N2313 HydrophobicContact CE2-CB 3.8Å; Y459-N2313 WeakPolarHBondContact OH-CB 3.3Å; Y459-V2314 HydrophobicContact CD2-CB 4.25Å; Y459-V2314 HydrophobicContact CD2-CG1 4.15Å; Y459-V2314 HydrophobicContact CD2-CG2 3.98Å; Y459-V2314 HydrophobicContact CE1-CG1 4.34Å; Y459-V2314 HydrophobicContact CE2-CB 3.37Å; Y459-V2314 HydrophobicContact CE2-CG1 3.41Å; Y459-V2314 VanDerWaalsContact CE2-CG1 3.41Å; Y459-V2314 HydrophobicContact CE2-CG2 3.49Å; Y459-V2314 VanDerWaalsContact CE2-CG2 3.49Å
460	E	24.8	Very low	27.2	Very low	101 Å²	101	125 Å²	125	47%	0.472	61%	0.606	S	S	.	*				61.7	127.4	129.7	-78.2	-175.2	175.5	0	0	126	H2312	E460-H2312 IonicContact OE1-CE1 2.67Å; E460-H2312 PolarHBondContact OE1-CE1 3.12Å; E460-H2312 IonicContact OE1-ND1 3.17Å; E460-H2312 PolarHBondContact OE1-ND1 3.25Å; E460-H2312 VanDerWaalsContact OE1-ND1 3.15Å
461	T	27.6	Very low	27.5	Very low	116 Å²	116	122.7 Å²	122.7	71%	0.712	59%	0.594	S	S	*	*			trans	57.8	126.3	143.7	60.2	0	0	0	0	122.8
462	K	30.9	Very low	27.6	Very low	114 Å²	114	122 Å²	122	50%	0.496	59%	0.589	S	S	.	*				-160.9	167	116.8	-99.2	155.1	-176.4	-171.1	0	112	N477 N479	K462-N477 HydrophobicContact CD-CB 3.84Å; K462-N477 WeakPolarHBondContact CD-OD1 3.46Å; K462-N477 VanDerWaalsContact CE-CG 3.49Å; K462-N477 WeakPolarHBondContact CE-OD1 3.18Å; K462-N477 HydrophobicContact CG-CB 3.94Å; K462-N477 PolarHBondContact NZ-OD1 2.74Å; K462-N479 WeakPolarHBondContact CB-OD1 3.48Å; K462-N479 WeakPolarHBondContact O-CB 3.36Å; K462-N479 PolarHBondContact O-OD1 3.15Å
463	L	27.4	Very low	28	Very low	134 Å²	134	123.4 Å²	123.4	70%	0.702	60%	0.596	S	S	*	*			trans	-162	119.5	-150.4	-152.6	172.5	0	0	0	115	N479	L463-N479 WeakPolarHBondContact CA-O 3.35Å
464	K	29	Very low	28.6	Very low	121 Å²	121	119.9 Å²	119.9	53%	0.526	59%	0.591	S	S	.	*			trans	162.5	-101.3	154.3	-171.3	-139.5	163.9	-147.7	0	115	E467 N478	K464-E467 IonicContact NZ-OE1 2.57Å; K464-E467 PolarHBondContact NZ-OE1 2.93Å; K464-N478 VanDerWaalsContact CB-OD1 3.27Å; K464-N478 WeakPolarHBondContact CB-OD1 3.43Å
465	H	30.1	Very low	29	Very low	94 Å²	94	121.8 Å²	121.8	44%	0.435	59%	0.594	S	S	.	*			trans	-150.4	178.5	-154.5	-94.3	25.4	0	0	0	114.1	E467 N478	H465-E467 IonicContact CD2-OE1 3.67Å; H465-N478 PolarHBondContact N-OD1 2.78Å; H465-N478 WeakPolarHBondContact O-CB 3.39Å; H465-N478 PolarHBondContact O-OD1 2.88Å; H465-N478 VanDerWaalsContact O-OD1 3.13Å
466	K	32	Very low	29.1	Very low	168 Å²	168	120.8 Å²	120.8	73%	0.73	59%	0.59	S	S	*	*			cis	93.2	129.7	14.3	-166.3	-152.1	-176.4	-166.1	0	115.8
467	E	30.6	Very low	29.3	Very low	98 Å²	98	120.2 Å²	120.2	46%	0.458	59%	0.591	S	S	.	*			trans	173.1	173.4	143.7	-93.3	140.8	-126.2	0	0	112	K464 H465	K464-E467 IonicContact NZ-OE1 2.57Å; K464-E467 PolarHBondContact NZ-OE1 2.93Å; H465-E467 IonicContact CD2-OE1 3.67Å
468	I	31.3	Very low	29.5	Very low	140 Å²	140	117.1 Å²	117.1	72%	0.718	58%	0.578	S	S	*	*			trans	100.4	125	-164.4	-61.4	171.8	0	0	0	113
469	E	24.1	Very low	29.6	Very low	177 Å²	177	119.5 Å²	119.5	83%	0.827	59%	0.593	S	S	*	*	S	Bend	cis	-65.6	147.2	-9.7	-76.4	-149.1	132.7	0	0	112.5
470	K	27.2	Very low	29.8	Very low	179 Å²	179	121.6 Å²	121.6	78%	0.778	61%	0.611	S	S	*	*	S	Bend	trans	52.3	105.9	176.7	-63.2	-175.5	-177.4	178.2	0	116.4
471	P	30	Very low	30.1	Very low	75 Å²	75	123.2 Å²	123.2	49%	0.487	62%	0.623	S	S	.	*			cis	-136.4	133.7	-14.7	36	-17	0	0	0	115.4
472	I	24.5	Very low	30	Very low	121 Å²	121	125.2 Å²	125.2	62%	0.621	63%	0.629	S	S	*	*				49.3	116.7	119.4	-54.1	161.5	0	0	0	117.8
473	N	30.2	Very low	30.3	Very low	132 Å²	132	126.8 Å²	126.8	71%	0.706	64%	0.643	S	S	*	*			trans	78.9	137.8	147.4	-79	-14.9	0	0	0	122.8
474	I	37.1	Very low	30.5	Very low	134 Å²	134	129 Å²	129	69%	0.687	65%	0.647	S	S	*	*			trans	71.9	111.9	137.7	-63.8	164.8	0	0	0	118.5
475	N	34.3	Very low	30.5	Very low	135 Å²	135	128.3 Å²	128.3	72%	0.722	65%	0.653	S	S	*	*			trans	78.4	137.3	153.6	-70.4	-20.1	0	0	0	122.2
476	N	30.9	Very low	30.3	Very low	118 Å²	118	132.5 Å²	132.5	63%	0.631	67%	0.67	S	S	*	*			trans	73.3	119.1	148.9	-67.7	-28.2	0	0	0	121.7	N478	N476-N478 PolarHBondContact O-ND2 2.8Å
477	N	31.2	Very low	30	Very low	85 Å²	85	132.7 Å²	132.7	46%	0.455	67%	0.673	S	S	.	*			trans	69.7	66.4	141.4	-56.8	-32.6	0	0	0	120.2	K462	K462-N477 HydrophobicContact CD-CB 3.84Å; K462-N477 WeakPolarHBondContact CD-OD1 3.46Å; K462-N477 VanDerWaalsContact CE-CG 3.49Å; K462-N477 WeakPolarHBondContact CE-OD1 3.18Å; K462-N477 HydrophobicContact CG-CB 3.94Å; K462-N477 PolarHBondContact NZ-OD1 2.74Å
478	N	32.9	Very low	29.7	Very low	67 Å²	67	131.8 Å²	131.8	36%	0.358	68%	0.683	S	S	.	*			trans	-136	121.8	-175.3	-62.1	-85.8	0	0	0	116.6	K464 H465 N476	K464-N478 VanDerWaalsContact CB-OD1 3.27Å; K464-N478 WeakPolarHBondContact CB-OD1 3.43Å; H465-N478 PolarHBondContact N-OD1 2.78Å; H465-N478 WeakPolarHBondContact O-CB 3.39Å; H465-N478 PolarHBondContact O-OD1 2.88Å; H465-N478 VanDerWaalsContact O-OD1 3.13Å; N476-N478 PolarHBondContact O-ND2 2.8Å
479	N	30.2	Very low	29.5	Very low	101 Å²	101	128.8 Å²	128.8	54%	0.54	67%	0.668	S	S	.	*			trans	-156.1	166.1	172.3	-40	87.4	0	0	0	114.4	K462 L463	K462-N479 WeakPolarHBondContact CB-OD1 3.48Å; K462-N479 WeakPolarHBondContact O-CB 3.36Å; K462-N479 PolarHBondContact O-OD1 3.15Å; L463-N479 WeakPolarHBondContact CA-O 3.35Å
480	N	30.1	Very low	29.7	Very low	144 Å²	144	124.9 Å²	124.9	77%	0.77	66%	0.656	S	S	*	*			trans	-174.6	163.7	150.7	-155.7	2	0	0	0	111.5
481	N	30.3	Very low	29.6	Very low	135 Å²	135	121 Å²	121	72%	0.722	64%	0.643	S	S	*	*			trans	-17.5	127.9	-179.4	-72.3	-14.9	0	0	0	121.9
482	N	26.3	Very low	29.4	Very low	157 Å²	157	125.1 Å²	125.1	84%	0.84	65%	0.654	S	S	*	*				179	109.2	118.1	-101.2	-36.1	0	0	0	114
483	N	35.7	Very low	29.5	Very low	148 Å²	148	126.8 Å²	126.8	79%	0.791	66%	0.657	S	S	*	*			trans	-175.2	137.6	144.9	-108.4	-50.7	0	0	0	115.7
484	K	32.7	Very low	29.3	Very low	179 Å²	179	125.5 Å²	125.5	78%	0.778	65%	0.654	S	S	*	*			trans	30.8	120.8	145.9	-70.4	175.9	-179	177.7	0	122.9
485	T	28.1	Very low	28.6	Very low	108 Å²	108	127.3 Å²	127.3	66%	0.663	66%	0.662	S	S	*	*				24.1	139.5	124.4	61.2	0	0	0	0	120
486	K	27	Very low	28.3	Very low	181 Å²	181	128.3 Å²	128.3	79%	0.787	66%	0.66	S	S	*	*			cis	-149.5	168	38.8	-68.2	-178.2	174.8	-175.5	0	114.2
487	H	25.4	Very low	28.1	Very low	172 Å²	172	126.6 Å²	126.6	80%	0.796	65%	0.648	S	S	*	*			trans	69.3	159.4	158.7	-83.4	-75	0	0	0	118.6
488	A	23.9	Very low	27.8	Very low	80 Å²	80	130.3 Å²	130.3	66%	0.661	66%	0.655	S	S	*	*			trans	67.1	79.8	175	0	0	0	0	0	117
489	D	27	Very low	27.3	Very low	77 Å²	77	132 Å²	132	41%	0.412	66%	0.664	S	S	.	*				72.2	120.8	119.8	-59.2	26.4	0	0	0	124.2	V936 S937	D489-V936 HydrophobicContact CB-CB 3.77Å; D489-V936 HydrophobicContact CB-CG1 3.01Å; D489-V936 VanDerWaalsContact OD2-CG1 3.26Å; D489-V936 WeakPolarHBondContact OD2-CG1 3.29Å; D489-S937 WeakPolarHBondContact CA-O 3.41Å; D489-S937 VanDerWaalsContact CG-O 3.28Å; D489-S937 PolarHBondContact N-O 3.23Å; D489-S937 VanDerWaalsContact N-O 3.13Å; D489-S937 PolarHBondContact OD2-N 3.29Å; D489-S937 VanDerWaalsContact OD2-N 3.09Å
490	T	28.8	Very low	27.2	Very low	94 Å²	94	133.3 Å²	133.3	58%	0.577	67%	0.671	S	S	*	*			trans	-116.8	148.8	168.7	39	0	0	0	0	114	S937	T490-S937 PolarHBondContact N-OG 2.78Å; T490-S937 VanDerWaalsContact O-CB 3.24Å; T490-S937 WeakPolarHBondContact O-CB 3.48Å; T490-S937 PolarHBondContact O-OG 3.27Å; T490-S937 PolarHBondContact OG1-OG 3.49Å
491	L	25.2	Very low	26.9	Very low	97 Å²	97	134.7 Å²	134.7	51%	0.508	67%	0.67	S	S	.	*			trans	-123	118.2	170.2	-120.8	-177.5	0	0	0	109.2	T935 V936	L491-T935 HydrophobicContact CD1-CG2 3.65Å; L491-V936 HydrophobicContact CB-CG2 3.99Å; L491-V936 HydrophobicContact CD1-CG2 3.65Å; L491-V936 HydrophobicContact CG-CG2 3.59Å
492	F	24.8	Very low	26.7	Very low	162 Å²	162	138.2 Å²	138.2	71%	0.711	67%	0.673	S	S	*	*			trans	59.6	166.3	158.8	-81.6	-133.3	0	0	0	115.9
493	K	26.9	Very low	26.6	Very low	157 Å²	157	134.4 Å²	134.4	68%	0.683	65%	0.653	S	S	*	*			cis	-144.8	142.7	-3.5	-151.5	172.2	-176	-179	0	112.1
494	T	26.1	Very low	26	Very low	104 Å²	104	131.9 Å²	131.9	64%	0.638	64%	0.639	S	S	*	*			trans	-15.2	134.7	153	-35.9	0	0	0	0	120.5
495	M	22.6	Very low	25.9	Very low	173 Å²	173	126.6 Å²	126.6	85%	0.852	62%	0.624	S	S	*	*			trans	-174.7	151.7	138	-108.3	-172.8	-72.7	0	0	109.5
496	K	28	Very low	25.9	Very low	156 Å²	156	126.6 Å²	126.6	68%	0.678	62%	0.62	S	S	*	*			cis	-159.1	144.1	-0.9	-172.1	174.7	172.9	-176.7	0	110.6
497	Q	27.2	Very low	25.8	Very low	81 Å²	81	126 Å²	126	38%	0.379	62%	0.619	S	S	.	*			trans	21.4	119.8	155.3	-62.9	151.6	1.4	0	0	120.3	Y1356	Q497-Y1356 HydrophobicContact CG-CD2 4.13Å; Q497-Y1356 VanDerWaalsContact NE2-CB 3.28Å; Q497-Y1356 PolarHBondContact NE2-O 2.91Å
498	R	24.5	Very low	25.9	Very low	164 Å²	164	126.6 Å²	126.6	62%	0.619	62%	0.62	S	S	*	*				70.1	113	83.5	-85	-173.2	172.3	148.4	-7.2	117	H1355 Y1356	R498-H1355 PolarHBondContact O-CE1 2.99Å; R498-Y1356 HydrophobicContact CB-CE2 4.4Å; R498-Y1356 HydrophobicContact CG-CE2 4.48Å; R498-Y1356 VanDerWaalsContact NH1-CE2 3.32Å
499	L	23	Very low	25.9	Very low	102 Å²	102	127.8 Å²	127.8	53%	0.534	62%	0.619	S	S	.	*				-166.2	-179.2	108.4	-150.2	58.8	0	0	0	110.5
500	D	27.9	Very low	25.7	Very low	128 Å²	128	130.8 Å²	130.8	68%	0.684	63%	0.634	S	S	*	*			trans	66.9	153.6	160.9	-55.9	-20.5	0	0	0	120.9
501	F	24	Very low	25.7	Very low	173 Å²	173	132.7 Å²	132.7	76%	0.759	64%	0.64	S	S	*	*				-164.1	154	-50.8	-131.3	-61.7	0	0	0	109.3
502	R	25.7	Very low	25.9	Very low	209 Å²	209	134.1 Å²	134.1	79%	0.789	65%	0.648	S	S	*	*			trans	64.2	173.7	164	-80.1	168.8	-173.9	-157.1	-0.4	114.9
503	N	23.8	Very low	26	Very low	77 Å²	77	134 Å²	134	41%	0.412	66%	0.655	S	S	.	*			cis	-178	138.7	-47.1	-104.3	25	0	0	0	105.1	Q1376 R1377	N503-Q1376 VanDerWaalsContact N-OE1 3.16Å; N503-Q1376 PolarHBondContact O-NE2 2.93Å; N503-Q1376 PolarHBondContact O-OE1 2.7Å; N503-R1377 PolarHBondContact OD1-NH1 2.92Å; N503-R1377 PolarHBondContact OD1-NH2 3.15Å
504	N	24.1	Very low	26.4	Very low	95 Å²	95	129.8 Å²	129.8	51%	0.508	66%	0.656	S	S	.	*			trans	61.6	135.6	165.1	-51.8	-2.3	0	0	0	118	Q1376 R1377	N504-Q1376 VanDerWaalsContact O-CD 3.27Å; N504-Q1376 PolarHBondContact O-NE2 3.42Å; N504-R1377 PolarHBondContact OD1-NH1 3Å; N504-R1377 VanDerWaalsContact OD1-NH1 3.1Å
505	C	30.2	Very low	26.6	Very low	68 Å²	68	133.4 Å²	133.4	46%	0.459	66%	0.663	S	S	.	*				-156.8	74.1	118.3	-102.3	0	0	0	0	110.2	Y1375 Q1376	C505-Y1375 HydrophobicContact CB-CD1 3.59Å; C505-Y1375 HydrophobicContact CB-CG 4.03Å; C505-Y1375 VanDerWaalsContact SG-CD1 3.54Å; C505-Q1376 HydrophobicContact CB-CB 4.38Å; C505-Q1376 PolarHBondContact N-O 3.39Å
506	L	27.6	Very low	26.8	Very low	108 Å²	108	129.8 Å²	129.8	57%	0.565	65%	0.65	S	S	*	*			trans	-54.4	136.9	139.8	-75.7	162.7	0	0	0	107.7
507	H	26	Very low	27.3	Very low	169 Å²	169	129.6 Å²	129.6	78%	0.782	66%	0.657	S	S	*	*				-179.8	166.1	103.3	-97.3	-70.1	0	0	0	112.6
508	K	26.9	Very low	27.1	Very low	184 Å²	184	134.6 Å²	134.6	80%	0.8	67%	0.672	S	S	*	*			trans	72	100.4	157.6	-80.8	-172.9	174.6	-171.3	0	119.3
509	T	23.7	Very low	27	Very low	105 Å²	105	132.8 Å²	132.8	64%	0.644	67%	0.674	S	S	*	*				48.7	120.1	111.9	58.7	0	0	0	0	120.7
510	I	23.8	Very low	27.4	Very low	141 Å²	141	132.9 Å²	132.9	72%	0.723	68%	0.681	S	S	*	*				68.6	109.8	120.3	-59.9	166.3	0	0	0	117
511	D	28.1	Very low	27.3	Very low	134 Å²	134	133 Å²	133	72%	0.717	68%	0.681	S	S	*	*				176.1	150.6	113.3	-103.1	-32.8	0	0	0	115.6
512	N	28.5	Very low	27.6	Very low	126 Å²	126	131 Å²	131	67%	0.674	67%	0.674	S	S	*	*			trans	46.7	86.4	146.9	-56.9	-36.6	0	0	0	122.1
513	N	27.8	Very low	27.9	Very low	159 Å²	159	127.2 Å²	127.2	85%	0.85	66%	0.663	S	S	*	*				166.6	156.2	92.1	-94.4	-20	0	0	0	112.2
514	G	35.4	Very low	28.5	Very low	69 Å²	69	131.6 Å²	131.6	71%	0.711	68%	0.681	S	S	*	*			trans	71.8	74.7	-173.3	0	0	0	0	0	110.5
515	K	30.9	Very low	29	Very low	181 Å²	181	132 Å²	132	79%	0.787	69%	0.691	S	S	*	*				41	116.5	97.3	-76.6	-165.6	174.8	-172.8	0	113.6
516	V	26	Very low	29	Very low	96 Å²	96	134.3 Å²	134.3	58%	0.582	71%	0.707	S	S	*	*			cis	69.9	58	32.2	-161.7	0	0	0	0	112.7	R518	V516-R518 HydrophobicContact CB-CB 4.48Å; V516-R518 HydrophobicContact CG1-CB 3.54Å; V516-R518 HydrophobicContact CG1-CG 3.59Å
517	D	38.5	Very low	28.7	Very low	153 Å²	153	137.5 Å²	137.5	82%	0.818	72%	0.719	S	S	*	*			trans	-115.4	95.8	140.8	-54.5	-50.8	0	0	0	105.1
518	R	22.9	Very low	28.9	Very low	186 Å²	186	138.2 Å²	138.2	70%	0.702	72%	0.722	S	S	*	*			cis	59.2	144.4	23.6	-133.3	-152.8	-158.6	-168.4	-0.2	112.4	V516	V516-R518 HydrophobicContact CB-CB 4.48Å; V516-R518 HydrophobicContact CG1-CB 3.54Å; V516-R518 HydrophobicContact CG1-CG 3.59Å
519	L	22.9	Very low	28.7	Very low	126 Å²	126	135.3 Å²	135.3	66%	0.66	72%	0.715	S	S	*	*			trans	70.1	167.9	156.8	-68.2	170.8	0	0	0	114.7
520	P	31.6	Very low	28.7	Very low	104 Å²	104	136 Å²	136	68%	0.675	72%	0.719	S	S	*	*			cis	-142.6	-152.4	-42.8	41.7	-25.5	0	0	0	111.3
521	L	24.7	Very low	28.9	Very low	130 Å²	130	135.4 Å²	135.4	68%	0.681	72%	0.717	S	S	*	*			cis	-152.3	149.7	-5.3	-150.5	61.3	0	0	0	104
522	E	29.7	Very low	29.2	Very low	131 Å²	131	135.1 Å²	135.1	61%	0.612	71%	0.714	S	S	*	*				176.1	153.3	80	-74.5	-140.9	124.3	0	0	106.6
523	K	32.8	Very low	29.4	Very low	130 Å²	130	135.9 Å²	135.9	57%	0.565	72%	0.717	S	S	*	*			cis	-161.9	154.4	2.8	-127.3	167.8	179.5	141.4	0	110.3
524	H	36.9	Very low	29.4	Very low	168 Å²	168	132.9 Å²	132.9	78%	0.778	71%	0.709	S	S	*	*			trans	64.2	142.9	163.3	-54	-53.1	0	0	0	117.5
525	S	33.8	Very low	29.2	Very low	104 Å²	104	135 Å²	135	73%	0.727	71%	0.71	S	S	*	*			cis	-150.3	155.1	-2	48.5	0	0	0	0	112.5
526	C	29.7	Very low	28.9	Very low	117 Å²	117	130.7 Å²	130.7	79%	0.791	70%	0.703	S	S	*	*			trans	19.8	124.9	151.6	-49.6	0	0	0	0	118.6
527	Q	22.4	Very low	29	Very low	175 Å²	175	134.2 Å²	134.2	82%	0.818	72%	0.717	S	S	*	*			cis	60.4	75.7	25.2	-153.5	-175.4	24.2	0	0	115.3
528	Q	29.7	Very low	28.7	Very low	183 Å²	183	132.3 Å²	132.3	86%	0.855	72%	0.716	S	S	*	*			trans	-144.7	126.6	140.5	-95.7	167.4	13.1	0	0	106.1
529	I	23.1	Very low	29.1	Very low	124 Å²	124	128 Å²	128	64%	0.636	71%	0.714	S	S	*	*				81	116.6	50.4	-64.5	168.3	0	0	0	111.2
530	T	23.2	Very low	29.3	Very low	120 Å²	120	126.8 Å²	126.8	74%	0.736	72%	0.717	S	S	*	*			trans	65.4	150.6	170.5	54.7	0	0	0	0	115.7
531	N	28.2	Very low	29	Very low	127 Å²	127	126.3 Å²	126.3	68%	0.679	72%	0.716	S	S	*	*			cis	-149.2	163.5	32.7	-132.6	-21.3	0	0	0	115.2
532	I	34.9	Very low	29.1	Very low	129 Å²	129	125.3 Å²	125.3	66%	0.662	72%	0.719	S	S	*	*			trans	63.1	95	154.8	-67.2	158.6	0	0	0	115.2
533	L	33.2	Very low	28.9	Very low	141 Å²	141	123 Å²	123	74%	0.738	72%	0.718	S	S	*	*				76.4	125.6	89.2	-93.2	119.3	0	0	0	111.8
534	S	27.6	Very low	29.3	Very low	97 Å²	97	123 Å²	123	68%	0.678	73%	0.729	S	S	*	*				59.1	138.8	52.3	-54.1	0	0	0	0	111.8
535	P	31.4	Very low	28.9	Very low	113 Å²	113	119.4 Å²	119.4	73%	0.734	72%	0.72	S	S	*	*			cis	-109.7	164	16.9	7.5	18.2	0	0	0	112.1
536	S	24.4	Very low	28.5	Very low	90 Å²	90	120.8 Å²	120.8	63%	0.629	72%	0.718	S	S	*	*			cis	79.1	126.2	24.7	93.7	0	0	0	0	116.5
537	L	26.5	Very low	28.3	Very low	170 Å²	170	121.6 Å²	121.6	89%	0.89	71%	0.713	S	S	*	*			trans	69.2	145.3	163.1	-51.4	164.4	0	0	0	113.4
538	S	32.9	Very low	28.4	Very low	113 Å²	113	119 Å²	119	79%	0.79	71%	0.709	S	S	*	*			cis	-155	-173.6	11.8	58.4	0	0	0	0	107.8
539	S	31	Very low	28.2	Very low	95 Å²	95	115.8 Å²	115.8	66%	0.664	70%	0.702	S	S	*	*			cis	-152.8	136.2	13.7	68.2	0	0	0	0	110.5
540	S	26.4	Very low	28.6	Very low	102 Å²	102	115.1 Å²	115.1	71%	0.713	70%	0.704	S	S	*	*				120.4	-171.2	104.4	72.1	0	0	0	0	111
541	S	26.5	Very low	29	Very low	93 Å²	93	115.6 Å²	115.6	65%	0.65	70%	0.701	S	S	*	*	S	Bend	trans	-47.3	147.5	171.9	44.9	0	0	0	0	115.9
542	S	26.2	Very low	29	Very low	109 Å²	109	116 Å²	116	76%	0.762	70%	0.698	S	S	*	*	S	Bend	trans	65.1	-168.5	166.3	84.3	0	0	0	0	115.3
543	S	26.1	Very low	28.4	Very low	83 Å²	83	117.3 Å²	117.3	58%	0.58	70%	0.699	S	S	*	*			trans	38.7	113.1	163.9	63.2	0	0	0	0	118.8	P545	S543-P545 WeakPolarHBondContact O-CD 3.33Å
544	V	40.6	Very low	28.4	Very low	130 Å²	130	118.1 Å²	118.1	79%	0.788	70%	0.703	S	S	*	*			trans	-63.3	121.3	134.3	174.5	0	0	0	0	107.5	I546	V544-I546 HydrophobicContact CG1-CG1 4.27Å
545	P	29.3	Very low	28.1	Very low	92 Å²	92	117.8 Å²	117.8	60%	0.597	70%	0.701	S	S	*	*				-101.4	144.9	128.1	-20.3	37.6	0	0	0	110	S543	S543-P545 WeakPolarHBondContact O-CD 3.33Å
546	I	25.8	Very low	28.1	Very low	134 Å²	134	117.3 Å²	117.3	69%	0.687	70%	0.697	S	S	*	*			cis	59.8	136.7	44.8	-27	149.2	0	0	0	108.7	V544	V544-I546 HydrophobicContact CG1-CG1 4.27Å
547	I	24.5	Very low	28.2	Very low	134 Å²	134	119.9 Å²	119.9	69%	0.687	70%	0.704	S	S	*	*			cis	-156.1	158.7	34	-25.8	176.7	0	0	0	111
548	T	23.9	Very low	28.2	Very low	120 Å²	120	117.4 Å²	117.4	74%	0.736	69%	0.691	S	S	*	*			trans	65.3	157.2	152.6	32.8	0	0	0	0	118.3
549	T	27.3	Very low	28	Very low	116 Å²	116	119.7 Å²	119.7	71%	0.712	69%	0.687	S	S	*	*	S	Bend	cis	-133.6	152.2	-2.1	4.9	0	0	0	0	107.6
550	T	30.1	Very low	27.8	Very low	110 Å²	110	120.4 Å²	120.4	68%	0.675	69%	0.687	S	S	*	*	S	Bend	cis	-147.3	157.1	14	-14.9	0	0	0	0	110.7
551	I	33.2	Very low	27.8	Very low	130 Å²	130	122.1 Å²	122.1	67%	0.667	69%	0.689	S	S	*	*			trans	50.1	85.2	151.1	-65.4	163.8	0	0	0	115.4
552	Q	26.4	Very low	27.9	Very low	134 Å²	134	126.8 Å²	126.8	63%	0.626	70%	0.697	S	S	*	*				84.5	151.5	70.1	-75.2	174.3	41.4	0	0	113.9
553	K	23.7	Very low	27.9	Very low	157 Å²	157	128 Å²	128	68%	0.683	69%	0.694	S	S	*	*			trans	28.8	140.7	132.2	-47.4	165.2	-164.4	159.7	0	117.4
554	I	32.2	Very low	27.8	Very low	158 Å²	158	129.7 Å²	129.7	81%	0.81	70%	0.696	S	S	*	*			cis	-134.6	134.9	33.8	-30.7	-174.4	0	0	0	112.1
555	S	22.1	Very low	27.1	Very low	91 Å²	91	131.3 Å²	131.3	64%	0.636	70%	0.695	S	S	*	*			trans	-24	159.5	137.5	-30.5	0	0	0	0	113.2
556	P	31.4	Very low	27	Very low	102 Å²	102	131 Å²	131	66%	0.662	70%	0.695	S	S	*	*			cis	-153	-165.7	46.2	36.7	-11.1	0	0	0	115.9
557	L	26.8	Very low	27.1	Very low	145 Å²	145	131.5 Å²	131.5	76%	0.759	70%	0.698	S	S	*	*			trans	46.3	135.6	134.4	-88.6	30.9	0	0	0	119.6
558	N	25.7	Very low	27.2	Very low	118 Å²	118	132.6 Å²	132.6	63%	0.631	70%	0.7	S	S	*	*			cis	-174.3	-178	-9.7	-141.3	-21.3	0	0	0	109.7
559	K	29.5	Very low	27.2	Very low	161 Å²	161	131.8 Å²	131.8	70%	0.7	70%	0.698	S	S	*	*			trans	50.9	103.5	141	-74.7	172.9	-178.6	-176.4	0	119.5
560	T	26.7	Very low	27	Very low	109 Å²	109	130.7 Å²	130.7	67%	0.669	70%	0.695	S	S	*	*				60.1	127.5	120.1	62.7	0	0	0	0	121.7
561	N	25.7	Very low	26.7	Very low	139 Å²	139	130.5 Å²	130.5	74%	0.743	70%	0.698	S	S	*	*			trans	75	137.4	130.3	-66.5	-13	0	0	0	120.6
562	K	29.1	Very low	26.3	Very low	191 Å²	191	130 Å²	130	83%	0.83	70%	0.701	S	S	*	*			trans	72.6	147.9	156.3	-71.5	-176	-179.9	-175.7	0	116.9
563	I	25.6	Very low	26.3	Very low	134 Å²	134	133.7 Å²	133.7	69%	0.687	71%	0.709	S	S	*	*			cis	-163.8	164.9	-28.6	-136	173	0	0	0	108.2
564	N	24	Very low	26.3	Very low	119 Å²	119	133.2 Å²	133.2	64%	0.636	71%	0.713	S	S	*	*			trans	69.4	151.4	164	-85.7	22.9	0	0	0	121
565	E	26.7	Very low	25.8	Very low	164 Å²	164	131.9 Å²	131.9	77%	0.766	71%	0.708	S	S	*	*			trans	65.2	143.2	146.6	-71.8	159.3	-119.4	0	0	119.3
566	S	26.6	Very low	26	Very low	84 Å²	84	134.5 Å²	134.5	59%	0.587	71%	0.71	S	S	*	*			cis	-168.9	174.1	-13.8	56.3	0	0	0	0	109.9
567	I	28.1	Very low	25.7	Very low	146 Å²	146	136.2 Å²	136.2	75%	0.749	71%	0.713	S	S	*	*			trans	63.1	132.1	148.1	-72	163.7	0	0	0	117
568	E	25.7	Very low	26	Very low	156 Å²	156	139.3 Å²	139.3	73%	0.729	72%	0.715	S	S	*	*			cis	-162.2	-179.8	-9.6	-125.3	-171	138.9	0	0	110.8
569	C	24.4	Very low	25.9	Very low	103 Å²	103	145.6 Å²	145.6	70%	0.696	73%	0.73	S	S	*	*			trans	23.6	140.5	142.9	-66.8	0	0	0	0	122
570	S	24.1	Very low	25.9	Very low	93 Å²	93	145.5 Å²	145.5	65%	0.65	73%	0.732	S	S	*	*			cis	-172.2	175.1	-5.2	62.9	0	0	0	0	111.2
571	S	23.8	Very low	25.8	Very low	106 Å²	106	148.5 Å²	148.5	74%	0.741	74%	0.738	S	S	*	*			trans	73.8	145.2	148.2	-59.8	0	0	0	0	117.9
572	V	24.6	Very low	25.7	Very low	119 Å²	119	149.5 Å²	149.5	72%	0.721	74%	0.743	S	S	*	*			cis	-161.3	173.5	-8.4	117.4	0	0	0	0	109.6
573	R	26.1	Very low	25.6	Very low	213 Å²	213	143.8 Å²	143.8	80%	0.804	74%	0.738	S	S	*	*			trans	85.7	102.1	161.7	-91.5	160.3	-167.8	178.6	5.4	120.2
574	L	22.9	Very low	25.6	Very low	146 Å²	146	142 Å²	142	76%	0.764	73%	0.733	S	S	*	*				77.4	104.4	116	-78.3	-175.5	0	0	0	120.8
575	N	23.1	Very low	25.6	Very low	131 Å²	131	144.8 Å²	144.8	70%	0.701	74%	0.736	S	S	*	*				116.1	149	105.9	-145.7	-1	0	0	0	118.1
576	Q	25.5	Very low	25.5	Very low	146 Å²	146	145.3 Å²	145.3	68%	0.682	74%	0.739	S	S	*	*			trans	76.8	134	160.9	-56.3	-169	8.3	0	0	122.3
577	N	25.2	Very low	25.5	Very low	137 Å²	137	144.8 Å²	144.8	73%	0.733	75%	0.746	S	S	*	*			trans	84.5	148.2	142.2	-71.1	-37.2	0	0	0	121.4
578	R	32.4	Very low	25.4	Very low	211 Å²	211	145.7 Å²	145.7	80%	0.796	75%	0.753	S	S	*	*			trans	71.6	90.6	169.7	-58.4	-178.6	-171.4	158.9	6.6	117.5	H580	R578-H580 PolarHBondContact O-N 2.86Å
579	R	23.7	Very low	25.4	Very low	250 Å²	250	146.1 Å²	146.1	94%	0.943	76%	0.755	S	S	*	*			trans	-54	104.4	131.4	-76.6	-178.8	171.8	176.5	-3.9	108.6
580	H	29.6	Very low	25.4	Very low	159 Å²	159	147.7 Å²	147.7	74%	0.736	76%	0.756	S	S	*	*			trans	-82	157.3	148.6	-97	-92.3	0	0	0	109	R578	R578-H580 PolarHBondContact O-N 2.86Å
581	Q	24.9	Very low	25.6	Very low	172 Å²	172	152.2 Å²	152.2	80%	0.804	77%	0.767	S	S	*	*			trans	-77.3	147.1	174	-69.7	178.1	-27.9	0	0	111
582	N	24.4	Very low	25.6	Very low	160 Å²	160	154 Å²	154	86%	0.856	76%	0.762	S	S	*	*			trans	50.9	94.4	149.1	-56.9	1.6	0	0	0	117.3
583	G	25.5	Very low	25.5	Very low	70 Å²	70	157.8 Å²	157.8	72%	0.722	76%	0.763	S	S	*	*			trans	-175.4	82.6	164.6	0	0	0	0	0	113.7
584	V	26.9	Very low	25.4	Very low	96 Å²	96	154 Å²	154	58%	0.582	76%	0.759	S	S	*	*			trans	69.2	104.7	172.6	-165	0	0	0	0	112
585	Y	24.1	Very low	25.7	Very low	178 Å²	178	148.5 Å²	148.5	70%	0.698	73%	0.734	S	S	*	*				54.8	123.3	87.2	-79.8	-110.5	0	0	0	112.2
586	E	24.8	Very low	25.6	Very low	176 Å²	176	146.5 Å²	146.5	82%	0.822	72%	0.723	S	S	*	*			cis	-132.4	162.7	-4.8	-91.9	158.6	162.9	0	0	109.3
587	G	26.6	Very low	25.6	Very low	72 Å²	72	140.6 Å²	140.6	74%	0.742	70%	0.696	S	S	*	*			trans	-166.3	117.9	179.2	0	0	0	0	0	111.2
588	D	25.4	Very low	25.7	Very low	165 Å²	165	139.2 Å²	139.2	88%	0.882	69%	0.686	S	S	*	*			trans	-77.1	146.2	-174.3	-54.7	-68.9	0	0	0	112.9
589	E	24.6	Very low	25.3	Very low	165 Å²	165	133.1 Å²	133.1	77%	0.771	68%	0.68	S	S	*	*			trans	-137.6	135.1	160.2	-73.9	-170.2	171.8	0	0	109.8
590	N	25.1	Very low	25.4	Very low	137 Å²	137	130.5 Å²	130.5	73%	0.733	68%	0.675	S	S	*	*			trans	73.3	136.3	173.1	-35.8	-77.5	0	0	0	114.1
591	E	27.8	Very low	25.3	Very low	188 Å²	188	127.9 Å²	127.9	88%	0.879	68%	0.675	S	S	*	*			cis	-83.3	148.3	21.3	-77.4	133.3	-156.8	0	0	115.5
592	F	25.3	Very low	25.4	Very low	144 Å²	144	124.1 Å²	124.1	63%	0.632	67%	0.668	S	S	*	*			cis	79	96.1	48.8	-153.3	-85.1	0	0	0	111.6
593	W	22.1	Very low	25.4	Very low	197 Å²	197	123.9 Å²	123.9	75%	0.746	67%	0.667	S	S	*	*				62.9	77.7	92.5	-88.1	120	0	0	0	115.1
594	D	24.4	Very low	25.7	Very low	134 Å²	134	125.6 Å²	125.6	72%	0.717	67%	0.665	S	S	*	*			trans	-152.5	149.9	135.1	-96.4	-32.7	0	0	0	106.8
595	A	28.1	Very low	25.7	Very low	30 Å²	30	126.9 Å²	126.9	25%	0.248	67%	0.673	C	S	.	*			cis	-141.9	179.6	-3.7	0	0	0	0	0	112	P1312 W1313	A595-P1312 HydrophobicContact CB-CB 4.24Å; A595-W1313 WeakPolarHBondContact CB-O 2.2Å
596	L	22.4	Very low	25.8	Very low	89 Å²	89	127.6 Å²	127.6	47%	0.466	68%	0.683	S	S	.	*			trans	-145.9	125.7	-175.6	171.5	135.2	0	0	0	112.3	C1310	L596-C1310 HydrophobicContact CD1-CB 4Å; L596-C1310 HydrophobicContact CD2-CB 4.5Å; L596-C1310 HydrophobicContact CG-CB 3.94Å
597	L	24.1	Very low	25.9	Very low	22 Å²	22	125.4 Å²	125.4	12%	0.115	68%	0.681	C	S	.	*			trans	133.5	89.9	164.7	-79.8	150.5	0	0	0	116.2	P1311 P1312 W1313 Y1951	L597-P1311 CarbonylContact C-O 3.57Å; L597-P1311 WeakPolarHBondContact CA-O 3.4Å; L597-P1311 PolarHBondContact N-O 3.48Å; L597-P1312 CarbonylContact C-O 3.32Å; L597-P1312 VanDerWaalsContact C-O 3.28Å; L597-P1312 VanDerWaalsContact N-C 3.31Å; L597-P1312 CarbonylContact O-C 3.45Å; L597-P1312 VanDerWaalsContact O-O 3.13Å; L597-W1313 HydrophobicContact CB-CB 3.73Å; L597-W1313 HydrophobicContact CB-CD2 3.59Å; L597-W1313 HydrophobicContact CB-CE3 4.05Å; L597-W1313 HydrophobicContact CB-CG 3.45Å; L597-W1313 VanDerWaalsContact CB-CG 3.45Å; L597-W1313 HydrophobicContact CD1-CD2 4Å; L597-W1313 HydrophobicContact CD1-CE3 3.58Å; L597-W1313 HydrophobicContact CD1-CH2 4.47Å; L597-W1313 HydrophobicContact CD1-CZ3 3.85Å; L597-W1313 HydrophobicContact CG-CD2 4.44Å; L597-W1313 HydrophobicContact CG-CE3 4.47Å; L597-W1313 WeakPolarHBondContact O-CA 3.41Å; L597-W1313 WeakPolarHBondContact O-CB 3.39Å; L597-W1313 PolarHBondContact O-N 2.93Å; L597-Y1951 HydrophobicContact CD1-CD2 3.98Å; L597-Y1951 HydrophobicContact CD1-CE2 3.64Å
598	Q	27.7	Very low	25.9	Very low	109 Å²	109	127.8 Å²	127.8	51%	0.509	68%	0.681	S	S	.	*			trans	172.5	154	130.6	-95.4	170.6	14.5	0	0	113	P1311 P1312 W1313	Q598-P1311 PolarHBondContact N-O 3.47Å; Q598-P1311 WeakPolarHBondContact O-CB 2.23Å; Q598-P1311 WeakPolarHBondContact O-CD 2.21Å; Q598-P1311 WeakPolarHBondContact O-CG 2.45Å; Q598-P1312 PolarHBondContact N-O 3.3Å; Q598-W1313 VanDerWaalsContact NE2-NE1 3.17Å
599	A	24.8	Very low	25.9	Very low	82 Å²	82	127.5 Å²	127.5	68%	0.678	68%	0.675	S	S	*	*			trans	-78.7	167	-163.3	0	0	0	0	0	115.2
600	K	25.1	Very low	26	Very low	195 Å²	195	125.4 Å²	125.4	85%	0.848	67%	0.673	S	S	*	*			trans	-6	135.8	133.4	-53.4	169.6	-177.7	172.9	0	113.8
601	S	27.1	Very low	26	Very low	104 Å²	104	127.9 Å²	127.9	73%	0.727	68%	0.68	S	S	*	*			cis	-155.8	159.2	21.4	53.1	0	0	0	0	115.4
602	S	26.7	Very low	25.9	Very low	94 Å²	94	121.5 Å²	121.5	66%	0.657	66%	0.66	S	S	*	*			trans	65.6	107.8	144.3	58.6	0	0	0	0	120.6
603	N	25.7	Very low	25.8	Very low	155 Å²	155	119.9 Å²	119.9	83%	0.829	65%	0.65	S	S	*	*				84.2	151.7	126	-77.2	9.1	0	0	0	118.9
604	P	31.4	Very low	25.8	Very low	105 Å²	105	118.5 Å²	118.5	68%	0.682	64%	0.644	S	S	*	*				-140.2	-166.4	-108.8	34.2	-9.9	0	0	0	114.9
605	V	26.7	Very low	25.7	Very low	124 Å²	124	116.8 Å²	116.8	75%	0.752	64%	0.643	S	S	*	*			trans	70.3	120.1	163.6	-173.6	0	0	0	0	116.7
606	Q	25.5	Very low	25.5	Very low	193 Å²	193	126.8 Å²	126.8	90%	0.902	67%	0.674	S	S	*	*			trans	-144.2	114.5	150	-80.7	-158.9	-11.3	0	0	113.1
607	T	27.5	Very low	25.6	Very low	129 Å²	129	129.8 Å²	129.8	79%	0.791	69%	0.691	S	S	*	*			trans	-158.1	117.4	135.7	42.6	0	0	0	0	102.7
608	V	26.4	Very low	26.1	Very low	123 Å²	123	133.1 Å²	133.1	75%	0.745	71%	0.714	S	S	*	*	S	Bend		-149.6	142.9	53.2	156.8	0	0	0	0	107.7
609	E	26	Very low	26.1	Very low	159 Å²	159	134.2 Å²	134.2	74%	0.743	72%	0.723	S	S	*	*			cis	-159.3	179.7	-5.3	-117.5	173.4	176.6	0	0	110.3
610	T	26.9	Very low	26.4	Very low	120 Å²	120	137.6 Å²	137.6	74%	0.736	73%	0.725	S	S	*	*			trans	54.1	101.4	160.1	50.6	0	0	0	0	119.5
611	Q	24.2	Very low	26.6	Very low	190 Å²	190	134.6 Å²	134.6	89%	0.888	72%	0.718	S	S	*	*				37.6	147.1	127.1	-69	-178.4	-31.2	0	0	122.8
612	A	25.5	Very low	26.7	Very low	54 Å²	54	134.7 Å²	134.7	45%	0.446	72%	0.715	S	S	.	*			trans	94.4	145.9	149.9	0	0	0	0	0	119.1	D1070 K1071	A612-D1070 VanDerWaalsContact CB-O 3.32Å; A612-D1070 WeakPolarHBondContact CB-O 3.38Å; A612-K1071 HydrophobicContact CB-CB 4.03Å; A612-K1071 HydrophobicContact CB-CD 4.4Å; A612-K1071 HydrophobicContact CB-CG 3.69Å; A612-K1071 WeakPolarHBondContact O-CE 3.34Å
613	W	23	Very low	26.9	Very low	110 Å²	110	138.4 Å²	138.4	42%	0.417	72%	0.719	S	S	.	*			trans	-89.2	144.1	-158.8	-82.7	49.2	0	0	0	117.3	P1068 K1071	W613-P1068 VanDerWaalsContact CE3-O 3.26Å; W613-P1068 HydrophobicContact CH2-CB 4.39Å; W613-P1068 HydrophobicContact CH2-CG 4.3Å; W613-P1068 WeakPolarHBondContact CH2-O 3.47Å; W613-P1068 HydrophobicContact CZ2-CB 3.71Å; W613-P1068 HydrophobicContact CZ2-CG 3.83Å; W613-P1068 VanDerWaalsContact CZ2-O 3.3Å; W613-P1068 WeakPolarHBondContact CZ2-O 3.3Å; W613-P1068 WeakPolarHBondContact CZ3-O 3.39Å; W613-K1071 VanDerWaalsContact C-CE 3.49Å; W613-K1071 HydrophobicContact CB-CB 4.28Å; W613-K1071 WeakPolarHBondContact O-CB 3.29Å; W613-K1071 WeakPolarHBondContact O-CD 3.18Å; W613-K1071 WeakPolarHBondContact O-CE 3.27Å
614	R	23.6	Very low	27.1	Very low	167 Å²	167	138.5 Å²	138.5	63%	0.63	71%	0.714	S	S	*	*			trans	62.1	149.8	166	-56	170.6	-172	-97.4	2.8	115.2	K1071	R614-K1071 WeakPolarHBondContact O-CD 3.16Å; R614-K1071 WeakPolarHBondContact O-CE 3.32Å; R614-K1071 PolarHBondContact O-NZ 3.36Å
615	S	22.2	Very low	27.5	Very low	99 Å²	99	138.6 Å²	138.6	69%	0.692	72%	0.715	S	S	*	*			cis	-154	152.1	-9.6	43.8	0	0	0	0	109.3
616	W	22.9	Very low	27.5	Very low	239 Å²	239	140.5 Å²	140.5	91%	0.905	72%	0.717	S	S	*	*			trans	71	95.3	161.2	-61.5	6.5	0	0	0	118.4
617	D	24.8	Very low	27.5	Very low	153 Å²	153	137.4 Å²	137.4	82%	0.818	71%	0.707	S	S	*	*				16.4	164.7	115.6	-78.1	-55.7	0	0	0	122.5
618	P	35	Very low	27.4	Very low	92 Å²	92	137.4 Å²	137.4	60%	0.597	70%	0.701	S	S	*	*			cis	-139.9	172.2	-20.3	34.6	-15.8	0	0	0	115.8
619	N	28.2	Very low	27.4	Very low	131 Å²	131	137.5 Å²	137.5	70%	0.701	70%	0.697	S	S	*	*				158	124.4	124.3	-84.6	-43.8	0	0	0	117.1
620	Q	30.8	Very low	27.4	Very low	154 Å²	154	136.1 Å²	136.1	72%	0.72	70%	0.695	S	S	*	*				52.9	133.2	128.4	-52.1	-120.6	36.6	0	0	120.8
621	N	28.5	Very low	27.4	Very low	132 Å²	132	136 Å²	136	71%	0.706	69%	0.694	S	S	*	*			cis	102.6	138.1	38.4	-72.7	-25.7	0	0	0	112.7
622	T	29.6	Very low	27.6	Very low	106 Å²	106	133.8 Å²	133.8	65%	0.65	69%	0.687	S	S	*	*			cis	-164.5	176.2	-25.4	51	0	0	0	0	109.7
623	K	30.1	Very low	27.7	Very low	171 Å²	171	137.6 Å²	137.6	74%	0.743	71%	0.706	S	S	*	*			trans	73.5	161.2	157.1	-72.4	164.9	169.6	-172.2	0	118.3
624	H	29.8	Very low	28	Very low	158 Å²	158	135.5 Å²	135.5	73%	0.731	72%	0.718	S	S	*	*			cis	-147.2	170.8	-4.4	-113.6	-54.2	0	0	0	110.6
625	P	40.5	Very low	28.1	Very low	107 Å²	107	133.8 Å²	133.8	70%	0.695	73%	0.726	S	S	*	*			trans	-121.5	179.8	-167.6	44.5	-35.3	0	0	0	116.7
626	M	25.6	Very low	28.4	Very low	164 Å²	164	135.3 Å²	135.3	81%	0.808	73%	0.726	S	S	*	*			trans	-163.2	146	151.4	-135.5	-171.1	-69	0	0	114.7
627	N	26.6	Very low	28.6	Very low	128 Å²	128	127.7 Å²	127.7	68%	0.684	71%	0.706	S	S	*	*			trans	59.4	157.6	146.5	-77.6	0.7	0	0	0	121.8
628	I	25.9	Very low	28.7	Very low	129 Å²	129	122.9 Å²	122.9	66%	0.662	68%	0.684	S	S	*	*			cis	-162.2	160.4	-32	-133.9	171.6	0	0	0	109.1
629	N	26.6	Very low	28.4	Very low	125 Å²	125	121.7 Å²	121.7	67%	0.668	68%	0.676	S	S	*	*			trans	62	123	162.2	-75.2	-2.6	0	0	0	122.9
630	N	25.1	Very low	28.4	Very low	130 Å²	130	120.1 Å²	120.1	70%	0.695	67%	0.666	S	S	*	*				93.1	129.5	121.7	-74.5	-6.1	0	0	0	124.7
631	T	27.5	Very low	28.2	Very low	116 Å²	116	118.5 Å²	118.5	71%	0.712	66%	0.661	S	S	*	*			trans	87.8	116.8	133	48.3	0	0	0	0	123.6
632	L	27.5	Very low	28.1	Very low	144 Å²	144	115.9 Å²	115.9	75%	0.754	65%	0.65	S	S	*	*			trans	88	106.3	135.5	-95.2	76.6	0	0	0	122.9
633	T	28.1	Very low	28.1	Very low	135 Å²	135	115.3 Å²	115.3	83%	0.828	65%	0.647	S	S	*	*				75.7	141.1	128.9	52.5	0	0	0	0	123.2
634	G	28.3	Very low	28.2	Very low	66 Å²	66	112.2 Å²	112.2	68%	0.68	64%	0.642	S	S	*	*			trans	111.1	88.7	169	0	0	0	0	0	114.3
635	V	26.5	Very low	28.3	Very low	131 Å²	131	109.6 Å²	109.6	79%	0.794	64%	0.637	S	S	*	*			cis	63.1	112.6	41.3	-174.1	0	0	0	0	110.7
636	N	28.3	Very low	28	Very low	131 Å²	131	110.4 Å²	110.4	70%	0.701	64%	0.641	S	S	*	*			cis	-159.4	145.2	10.4	-132.7	-2.5	0	0	0	117
637	T	28.4	Very low	28.3	Very low	78 Å²	78	106.3 Å²	106.3	48%	0.479	63%	0.633	S	S	.	*			trans	53.1	117.9	142.2	57.2	0	0	0	0	124.7
638	S	26.2	Very low	28.5	Very low	52 Å²	52	106.1 Å²	106.1	36%	0.364	64%	0.636	S	S	.	*				73.1	152.2	105	95.5	0	0	0	0	119.9	K1003 K1004	S638-K1003 WeakPolarHBondContact OG-CE 3.5Å; S638-K1003 PolarHBondContact OG-NZ 2.88Å; S638-K1003 VanDerWaalsContact OG-NZ 3.14Å; S638-K1004 WeakPolarHBondContact O-CD 3.47Å
639	V	27.8	Very low	28.7	Very low	68 Å²	68	106.3 Å²	106.3	41%	0.412	64%	0.639	S	S	.	*			cis	-177.3	165.7	15.3	69.7	0	0	0	0	110.8	K1004 Q1005	V639-K1004 CarbonylContact O-C 3.55Å; V639-K1004 VanDerWaalsContact O-O 3.07Å; V639-Q1005 CarbonylContact C-O 3.48Å; V639-Q1005 CarbonylContact O-C 3.51Å; V639-Q1005 WeakPolarHBondContact O-CA 3.22Å; V639-Q1005 PolarHBondContact O-N 2.67Å
640	I	28.1	Very low	28.8	Very low	97 Å²	97	105.4 Å²	105.4	50%	0.497	64%	0.638	S	S	.	*			trans	94.7	91	151.7	-70.9	171.2	0	0	0	123.6	Q1005 S1006	I640-Q1005 VanDerWaalsContact C-C 3.41Å; I640-Q1005 CarbonylContact C-O 3.51Å; I640-Q1005 VanDerWaalsContact C-O 3.26Å; I640-Q1005 PolarHBondContact N-O 2.87Å; I640-Q1005 CarbonylContact O-C 3.12Å; I640-Q1005 VanDerWaalsContact O-O 3.11Å; I640-S1006 CarbonylContact C-O 3.48Å; I640-S1006 PolarHBondContact O-N 3.15Å
641	I	27.5	Very low	29.4	Very low	121 Å²	121	105.8 Å²	105.8	62%	0.621	64%	0.64	S	S	*	*				72.1	153.9	123.4	-67.8	169.9	0	0	0	121	S1006 S1007	I641-S1006 VanDerWaalsContact N-C 3.33Å; I641-S1006 PolarHBondContact N-O 2.91Å; I641-S1006 CarbonylContact O-C 3.59Å; I641-S1007 PolarHBondContact O-N 3.07Å
642	T	27.1	Very low	29.5	Very low	76 Å²	76	106 Å²	106	47%	0.466	64%	0.641	S	S	.	*			cis	-173.3	160.9	-30.1	-72.3	0	0	0	0	110.6
643	T	28.9	Very low	29.7	Very low	95 Å²	95	105.9 Å²	105.9	58%	0.583	64%	0.641	S	S	*	*			trans	61.9	144.7	158.8	39.2	0	0	0	0	122.2	S1008	T643-S1008 VanDerWaalsContact C-CB 3.44Å; T643-S1008 VanDerWaalsContact O-CB 3.23Å; T643-S1008 WeakPolarHBondContact O-CB 3.33Å
644	T	31.4	Very low	29.9	Very low	106 Å²	106	106.2 Å²	106.2	65%	0.65	64%	0.638	S	S	*	*			cis	-163.9	146.3	-21.6	-1.6	0	0	0	0	113.8
645	T	33.5	Very low	30.2	Very low	103 Å²	103	111.3 Å²	111.3	63%	0.632	64%	0.644	S	S	*	*			trans	57.1	119.9	146.5	47.1	0	0	0	0	126.9
646	T	32.9	Very low	30.5	Very low	124 Å²	124	109.4 Å²	109.4	76%	0.761	64%	0.636	S	S	*	*			trans	64.9	146.1	133.1	56.2	0	0	0	0	123.8
647	A	32.4	Very low	30.7	Very low	78 Å²	78	110.2 Å²	110.2	65%	0.645	64%	0.636	S	S	*	*			cis	-173.4	167.5	-15.2	0	0	0	0	0	114.2
648	T	31.2	Very low	30.8	Very low	124 Å²	124	114.3 Å²	114.3	76%	0.761	65%	0.65	S	S	*	*			trans	66.7	151.4	159.6	55.1	0	0	0	0	120.5
649	N	28.8	Very low	31.1	Very low	133 Å²	133	115.1 Å²	115.1	71%	0.711	67%	0.667	S	S	*	*			cis	-167.9	147.3	-4.8	-108.2	2.7	0	0	0	115.2
650	T	30.1	Very low	31.4	Very low	105 Å²	105	120.8 Å²	120.8	64%	0.644	69%	0.686	S	S	*	*			trans	46.7	154.5	142.3	61.2	0	0	0	0	125.2
651	D	37.4	Very low	31.5	Very low	138 Å²	138	123.2 Å²	123.2	74%	0.738	70%	0.699	S	S	*	*			cis	171.5	151.2	-26.8	-101.2	-57.5	0	0	0	111.9
652	T	29.3	Very low	31.6	Very low	120 Å²	120	125.7 Å²	125.7	74%	0.736	71%	0.705	S	S	*	*			trans	-170.2	173.9	163.3	4.5	0	0	0	0	117.6
653	N	32.4	Very low	31.7	Very low	142 Å²	142	128 Å²	128	76%	0.759	72%	0.72	S	S	*	*			trans	-128.3	153.7	-159.1	-70.8	-54.4	0	0	0	119.2
654	N	31.8	Very low	31.8	Very low	142 Å²	142	128.6 Å²	128.6	76%	0.759	73%	0.728	S	S	*	*				158.9	133	117.7	-86.7	-35.4	0	0	0	119.7
655	Q	34.8	Very low	31.6	Very low	174 Å²	174	129.4 Å²	129.4	81%	0.813	73%	0.732	S	S	*	*			trans	66.8	163.5	143.9	-69	175.8	-48.6	0	0	123.1
656	S	32.5	Very low	31.2	Very low	90 Å²	90	133.2 Å²	133.2	63%	0.629	74%	0.74	S	S	*	*			cis	-177.8	140.6	-42	60.9	0	0	0	0	115.5
657	Q	32.9	Very low	30.9	Very low	149 Å²	149	135.2 Å²	135.2	70%	0.696	74%	0.741	S	S	*	*			trans	67.2	159.9	159.2	-59.7	-167.9	21.3	0	0	120.4
658	Q	29.4	Very low	30.5	Very low	163 Å²	163	136.2 Å²	136.2	76%	0.762	74%	0.743	S	S	*	*			cis	-153	149.3	6.2	-144.6	179.3	89.1	0	0	112
659	G	34	Very low	30.2	Very low	70 Å²	70	137.6 Å²	137.6	72%	0.722	75%	0.746	S	S	*	*			trans	175.3	163.9	177.6	0	0	0	0	0	115.2
660	K	33.4	Very low	30.1	Very low	187 Å²	187	136.5 Å²	136.5	81%	0.813	75%	0.748	S	S	*	*			trans	-151.3	164.3	-165.8	-59.2	-177.2	-174.1	173.1	0	110.3
661	L	29.5	Very low	30	Very low	147 Å²	147	137.3 Å²	137.3	77%	0.77	75%	0.753	S	S	*	*			cis	-161.6	-176.2	5.7	-133.8	175.8	0	0	0	110.5
662	F	30.8	Very low	29.5	Very low	174 Å²	174	135 Å²	135	76%	0.763	75%	0.748	S	S	*	*			trans	77.4	125.9	163	-88.2	-66.2	0	0	0	122.6
663	T	29.4	Very low	29.6	Very low	125 Å²	125	135.2 Å²	135.2	77%	0.767	75%	0.753	S	S	*	*			trans	75.5	142.7	156.3	57	0	0	0	0	122.3
664	S	29.9	Very low	29.4	Very low	107 Å²	107	137.4 Å²	137.4	75%	0.748	76%	0.759	S	S	*	*			trans	66.6	100.1	169.3	55	0	0	0	0	121.1
665	T	27.7	Very low	29.8	Very low	122 Å²	122	135.2 Å²	135.2	75%	0.748	75%	0.752	S	S	*	*			trans	54.5	108.6	137.3	43	0	0	0	0	122.7
666	F	25.6	Very low	29.7	Very low	183 Å²	183	132.6 Å²	132.6	80%	0.803	75%	0.749	S	S	*	*			trans	82.9	126.7	142	-79.2	-69.7	0	0	0	122.7
667	H	26.1	Very low	29.6	Very low	167 Å²	167	137 Å²	137	77%	0.773	76%	0.756	S	S	*	*			trans	85	122.1	157.7	-75.6	87.2	0	0	0	122.5
668	S	24	Very low	29.3	Very low	99 Å²	99	136.2 Å²	136.2	69%	0.692	76%	0.762	S	S	*	*			trans	93	97.6	144.4	-54.7	0	0	0	0	123.9
669	N	25.5	Very low	29.2	Very low	153 Å²	153	133.8 Å²	133.8	82%	0.818	76%	0.763	S	S	*	*				65	131.7	128.2	-61.1	-2.8	0	0	0	126.6
670	S	25.5	Very low	29.1	Very low	109 Å²	109	137 Å²	137	76%	0.762	77%	0.769	S	S	*	*				109.2	133.5	125.9	71.3	0	0	0	0	126.5
671	T	27.3	Very low	28.8	Very low	122 Å²	122	138.2 Å²	138.2	75%	0.748	77%	0.768	S	S	*	*			trans	85	128.3	138.8	28	0	0	0	0	129.6
672	S	27.8	Very low	29	Very low	90 Å²	90	137.3 Å²	137.3	63%	0.629	76%	0.764	S	S	*	*				84.8	121	126.7	72	0	0	0	0	128.9
673	C	30.9	Very low	28.8	Very low	125 Å²	125	138.3 Å²	138.3	85%	0.845	77%	0.768	S	S	*	*				61.3	140.7	127.5	-54.3	0	0	0	0	128
674	E	29.6	Very low	28.8	Very low	188 Å²	188	135.8 Å²	135.8	88%	0.879	76%	0.76	S	S	*	*			trans	173.9	166.2	139.4	-92.3	-88	102.7	0	0	114.8
675	P	40.5	Very low	28.7	Very low	95 Å²	95	137.5 Å²	137.5	62%	0.617	76%	0.761	S	S	*	*			trans	-137.9	-179.1	-159.6	46	-31.6	0	0	0	120.3
676	T	31.7	Very low	28.8	Very low	120 Å²	120	137.1 Å²	137.1	74%	0.736	76%	0.758	S	S	*	*			trans	167.7	136.5	135.6	31.7	0	0	0	0	119.7
677	K	30.6	Very low	28.9	Very low	182 Å²	182	135.4 Å²	135.4	79%	0.791	75%	0.753	S	S	*	*			trans	60.1	149.5	145.3	-62.2	167.9	-175.4	173	0	121.8
678	T	27	Very low	29	Very low	133 Å²	133	136.2 Å²	136.2	82%	0.816	75%	0.751	S	S	*	*			cis	94.4	139	7.3	69.8	0	0	0	0	119.1
679	S	26.6	Very low	29.2	Very low	111 Å²	111	137.9 Å²	137.9	78%	0.776	75%	0.747	S	S	*	*			cis	-176.5	160.5	-16	-173	0	0	0	0	112.6
680	T	31	Very low	29.4	Very low	139 Å²	139	133.4 Å²	133.4	85%	0.853	72%	0.723	S	S	*	*			trans	159	158.1	165.7	32.2	0	0	0	0	111.7
681	R	29	Very low	29.6	Very low	211 Å²	211	134.1 Å²	134.1	80%	0.796	72%	0.718	S	S	*	*			cis	-170.7	158.3	-8.7	165.5	179.2	-179.1	174	7.4	112.6
682	N	31.6	Very low	29.6	Very low	129 Å²	129	129.9 Å²	129.9	69%	0.69	69%	0.69	S	S	*	*			trans	75.3	150.4	174.8	-59.1	-35.9	0	0	0	115.3
683	K	28.5	Very low	29.6	Very low	195 Å²	195	134.7 Å²	134.7	85%	0.848	70%	0.7	S	S	*	*			cis	-173.7	164.5	-18.5	-103.8	-160.9	170.4	-171	0	105.7
684	A	27.6	Very low	29.7	Very low	72 Å²	72	132.3 Å²	132.3	60%	0.595	68%	0.684	S	S	*	*			cis	-170.2	-173.1	-17.4	0	0	0	0	0	108.3
685	N	28.2	Very low	29.6	Very low	143 Å²	143	127.3 Å²	127.3	77%	0.765	66%	0.662	S	S	*	*			trans	67.7	99.3	168.6	-68	32.2	0	0	0	116.5
686	T	30.2	Very low	29.1	Very low	113 Å²	113	127 Å²	127	69%	0.693	65%	0.653	S	S	*	*				82.2	130.5	82	51.5	0	0	0	0	114
687	E	27.5	Very low	29.2	Very low	147 Å²	147	125 Å²	125	69%	0.687	64%	0.637	S	S	*	*			cis	-170.6	170.3	-1.5	-154.5	162.7	-137.6	0	0	111.1
688	Y	28.7	Very low	29	Very low	185 Å²	185	120.3 Å²	120.3	73%	0.725	62%	0.623	S	S	*	*			trans	64.7	141.3	172.5	-66	-88.2	0	0	0	120.1
689	H	28.3	Very low	29.1	Very low	134 Å²	134	116.7 Å²	116.7	62%	0.62	60%	0.599	S	S	*	*			cis	-167.5	162	-29.7	-130.3	-102.8	0	0	0	111.1
690	D	28.6	Very low	29.1	Very low	59 Å²	59	113.1 Å²	113.1	32%	0.316	57%	0.573	S	S	.	*			trans	65.8	147.4	156.7	-58.1	-32.5	0	0	0	124.4	F8	F8-D690 VanDerWaalsContact O-CG 3.23Å
691	L	31.5	Very low	28.9	Very low	124 Å²	124	114.2 Å²	114.2	65%	0.649	57%	0.569	S	S	*	*			trans	53.6	102.2	172	-54.8	-172.2	0	0	0	116.9	P6	P6-L691 VanDerWaalsContact O-CA 3.24Å; P6-L691 WeakPolarHBondContact O-CA 3.27Å; P6-L691 PolarHBondContact O-N 3.1Å
692	N	25.8	Very low	28.8	Very low	32 Å²	32	108.9 Å²	108.9	17%	0.171	56%	0.556	C	S	.	*			cis	52.5	90.9	46.9	-148.2	9.7	0	0	0	114	S5 P6 T7 P694	S5-N692 WeakPolarHBondContact CA-OD1 3.47Å; S5-N692 VanDerWaalsContact CB-OD1 3.3Å; S5-N692 WeakPolarHBondContact CB-OD1 3.23Å; S5-N692 PolarHBondContact OG-ND2 3.35Å; S5-N692 PolarHBondContact OG-OD1 3.27Å; P6-N692 WeakPolarHBondContact O-CB 3.29Å; T7-N692 PolarHBondContact N-ND2 3.38Å; T7-N692 PolarHBondContact OG1-ND2 3.05Å; N692-P694 VanDerWaalsContact OD1-CD 3.3Å; N692-P694 WeakPolarHBondContact OD1-CD 3.2Å
693	F	28.3	Very low	28.7	Very low	191 Å²	191	110.2 Å²	110.2	84%	0.838	56%	0.556	S	S	*	*				-111.9	162	87.4	-105.2	-102.7	0	0	0	110.5
694	P	33.5	Very low	28.8	Very low	76 Å²	76	109.1 Å²	109.1	49%	0.494	55%	0.551	S	S	.	*			trans	-62	136.3	171.8	-18.4	33.9	0	0	0	109.4	N692	N692-P694 VanDerWaalsContact OD1-CD 3.3Å; N692-P694 WeakPolarHBondContact OD1-CD 3.2Å
695	L	27.1	Very low	28.8	Very low	82 Å²	82	115.9 Å²	115.9	43%	0.429	56%	0.561	S	S	.	*				56.9	132	72.9	-54.2	-167.9	0	0	0	112.5	K4	K4-L695 HydrophobicContact CG-CD1 4.26Å
696	E	29.3	Very low	29	Very low	89 Å²	89	116.8 Å²	116.8	42%	0.416	56%	0.561	S	S	.	*			cis	-168.8	-170.6	6.9	-131.4	160.3	-169.9	0	0	110.9	S3	S3-E696 WeakPolarHBondContact CA-OE1 3.27Å; S3-E696 PolarHBondContact N-OE1 3.09Å
697	I	34.2	Very low	28.8	Very low	79 Å²	79	118.1 Å²	118.1	41%	0.405	56%	0.563	S	S	.	*			trans	66.9	102.8	143	-76	160.2	0	0	0	114.7	E1081 N1082	I697-E1081 HydrophobicContact CB-CG 4.24Å; I697-E1081 HydrophobicContact CG2-CB 4.03Å; I697-E1081 HydrophobicContact CG2-CG 3.38Å; I697-E1081 WeakPolarHBondContact CG2-OE2 3.14Å; I697-N1082 WeakPolarHBondContact CA-OD1 3.43Å; I697-N1082 WeakPolarHBondContact CG1-OD1 3.35Å
698	V	26.4	Very low	28.9	Very low	83 Å²	83	118.2 Å²	118.2	50%	0.503	56%	0.561	S	S	.	*				-164	-38.6	-77.7	126.2	0	0	0	0	113.8
699	N	30.3	Very low	29.1	Very low	57 Å²	57	115.4 Å²	115.4	31%	0.305	56%	0.555	S	S	.	*			trans	-122.6	146.5	-160.7	-98.1	-15.7	0	0	0	113.2	Y1079 G1080 E1081 N1082	N699-Y1079 CarbonylContact O-C 3.5Å; N699-G1080 CarbonylContact O-C 3.57Å; N699-G1080 WeakPolarHBondContact O-CA 3.3Å; N699-G1080 PolarHBondContact O-N 3.16Å; N699-G1080 VanDerWaalsContact O-N 3.13Å; N699-E1081 PolarHBondContact O-N 3.47Å; N699-N1082 VanDerWaalsContact ND2-C 3.31Å; N699-N1082 PolarHBondContact ND2-O 2.85Å
700	S	26.6	Very low	29.2	Very low	35 Å²	35	117.7 Å²	117.7	25%	0.245	57%	0.566	C	S	.	*				73.6	116.8	75.3	116	0	0	0	0	113.6	Y1079 G1080	S700-Y1079 CarbonylContact C-O 3.34Å; S700-Y1079 CarbonylContact O-C 3.39Å; S700-Y1079 VanDerWaalsContact O-O 3.05Å; S700-G1080 PolarHBondContact O-N 2.75Å
701	Q	26.1	Very low	29.2	Very low	163 Å²	163	121 Å²	121	76%	0.762	58%	0.582	S	S	*	*				76	145.4	89.1	-71	172.4	-73.3	0	0	112.7	Y1079	Q701-Y1079 PolarHBondContact N-O 2.88Å
702	D	27.4	Very low	29	Very low	99 Å²	99	119.7 Å²	119.7	53%	0.529	58%	0.583	S	S	.	*			cis	-161.9	165.3	14	-152.9	-18.1	0	0	0	112.3
703	K	29.3	Very low	29.1	Very low	157 Å²	157	125.7 Å²	125.7	68%	0.683	61%	0.614	S	S	*	*			trans	62	161.3	159.9	-71.1	139.3	-171	150.2	0	115.8
704	K	29.6	Very low	29.3	Very low	172 Å²	172	121.9 Å²	121.9	75%	0.748	61%	0.609	S	S	*	*			cis	-150.5	154.7	-3.5	-127.8	159.8	-170.7	175.5	0	110.2
705	R	27.4	Very low	29.1	Very low	213 Å²	213	125.3 Å²	125.3	80%	0.804	62%	0.622	S	S	*	*			trans	-6.4	140	151.4	-47.3	171.4	-179.8	-176.8	-3.3	115.6
706	Q	32.4	Very low	29.2	Very low	162 Å²	162	126.7 Å²	126.7	76%	0.757	63%	0.63	S	S	*	*				-161	147	65.9	-84.7	-174.9	83.7	0	0	109.6
707	L	26.2	Very low	29.2	Very low	141 Å²	141	130.2 Å²	130.2	74%	0.738	64%	0.644	S	S	*	*				56.9	141.8	72.7	-62.6	167	0	0	0	111.7
708	K	29.8	Very low	28.7	Very low	149 Å²	149	130.8 Å²	130.8	65%	0.648	66%	0.655	S	S	*	*			cis	-171.8	173	33.4	-153.5	166.2	167.1	-165.1	0	113.1
709	H	32.3	Very low	28.6	Very low	127 Å²	127	135.4 Å²	135.4	59%	0.588	67%	0.671	S	S	*	*			trans	77.6	140.1	164.2	-55.6	-66.9	0	0	0	116.7	I711	H709-I711 WeakPolarHBondContact ND1-CD1 3.49Å
710	Q	31.3	Very low	28.3	Very low	182 Å²	182	136.9 Å²	136.9	85%	0.85	69%	0.685	S	S	*	*			cis	-120.8	133.8	6.2	-63.8	171.2	3.6	0	0	109.1
711	I	28.5	Very low	28.2	Very low	127 Å²	127	139.7 Å²	139.7	65%	0.651	70%	0.701	S	S	*	*				66.7	121	67.3	-63.2	173.3	0	0	0	110.5	H709	H709-I711 WeakPolarHBondContact ND1-CD1 3.49Å
712	S	27.6	Very low	28.2	Very low	97 Å²	97	136.7 Å²	136.7	68%	0.678	70%	0.698	S	S	*	*			cis	-141	148.1	32.2	-43	0	0	0	0	113.2
713	L	28	Very low	28.2	Very low	159 Å²	159	137.6 Å²	137.6	83%	0.832	70%	0.703	S	S	*	*				60.6	144.3	99.9	-57.4	172	0	0	0	116.9
714	P	32.6	Very low	28.1	Very low	110 Å²	110	133.8 Å²	133.8	71%	0.714	70%	0.701	S	S	*	*			cis	-105.1	-129	6.2	21.1	3.1	0	0	0	111.2
715	L	29.1	Very low	28	Very low	149 Å²	149	136.8 Å²	136.8	78%	0.78	71%	0.709	S	S	*	*			cis	-154.2	-138.9	-1.3	-165.5	43.1	0	0	0	111.6
716	D	28.1	Very low	28	Very low	111 Å²	111	132.4 Å²	132.4	59%	0.594	70%	0.702	S	S	*	*			trans	-143.7	162	-154.5	-96.8	14.8	0	0	0	110.7
717	K	29.2	Very low	27.7	Very low	162 Å²	162	132.6 Å²	132.6	70%	0.704	70%	0.7	S	S	*	*			cis	-166.8	156.5	-18.6	-117.1	-176.6	-167.3	78.7	0	110.1
718	S	24.8	Very low	27.6	Very low	92 Å²	92	134.2 Å²	134.2	64%	0.643	70%	0.704	S	S	*	*			trans	51.3	119.9	147.6	62.1	0	0	0	0	124.3
719	H	24.2	Very low	27.3	Very low	180 Å²	180	132 Å²	132	83%	0.833	71%	0.707	S	S	*	*				69.7	123.1	125.3	-67.2	-53.6	0	0	0	124.6
720	S	24.6	Very low	26.9	Very low	87 Å²	87	130.8 Å²	130.8	61%	0.608	71%	0.709	S	S	*	*				108.5	125.9	116.1	71.2	0	0	0	0	123.4
721	T	24	Very low	26.5	Very low	94 Å²	94	128.7 Å²	128.7	58%	0.577	70%	0.697	S	S	*	*			trans	75.9	153.3	138.4	48.3	0	0	0	0	122.3	K1114	T721-K1114 PolarHBondContact OG1-NZ 3.41Å
722	S	26.9	Very low	26.4	Very low	100 Å²	100	129.9 Å²	129.9	70%	0.699	70%	0.697	S	S	*	*			trans	65.9	142.3	168.8	45.4	0	0	0	0	118.1
723	D	26.8	Very low	26.3	Very low	119 Å²	119	129.4 Å²	129.4	64%	0.636	69%	0.69	S	S	*	*			cis	-153.6	178.7	-13.5	-108	-21.8	0	0	0	111.8	L1111	D723-L1111 WeakPolarHBondContact OD1-CD2 3.38Å
724	A	27.7	Very low	26.3	Very low	77 Å²	77	128.1 Å²	128.1	64%	0.636	68%	0.68	S	S	*	*			trans	-79	166.3	-172	0	0	0	0	0	115.4
725	Y	25.9	Very low	25.9	Very low	235 Å²	235	130.3 Å²	130.3	92%	0.922	68%	0.68	S	S	*	*				-160.1	149.8	125.4	-113.9	-76.8	0	0	0	111.1
726	D	27.7	Very low	25.8	Very low	120 Å²	120	129.2 Å²	129.2	64%	0.642	68%	0.68	S	S	*	*			trans	-113.9	-168.6	176.7	-155.7	-19.6	0	0	0	110.4
727	K	26.2	Very low	25.7	Very low	166 Å²	166	129.5 Å²	129.5	72%	0.722	69%	0.686	S	S	*	*			trans	-59	167.6	175.4	-47.1	129.3	-165.7	146.1	0	111.2
728	Q	24.2	Very low	25.7	Very low	175 Å²	175	128.9 Å²	128.9	82%	0.818	69%	0.689	S	S	*	*			cis	-165.1	154.6	23	-150.8	165.5	-3	0	0	111
729	S	22.9	Very low	25.8	Very low	104 Å²	104	132.2 Å²	132.2	73%	0.727	70%	0.695	S	S	*	*			trans	69.1	140.2	150	84.3	0	0	0	0	124.7
730	V	23.8	Very low	26.1	Very low	101 Å²	101	128.6 Å²	128.6	61%	0.612	69%	0.687	S	S	*	*			trans	44.1	119.7	155.3	-131	0	0	0	0	124.7
731	F	23.1	Very low	26.3	Very low	137 Å²	137	127.3 Å²	127.3	60%	0.601	68%	0.675	S	S	*	*				147.8	138.7	108	-97.8	-65.8	0	0	0	116.4	K1140	F731-K1140 HydrophobicContact CB-CD 4.26Å
732	K	27.2	Very low	26.3	Very low	152 Å²	152	128.6 Å²	128.6	66%	0.661	67%	0.67	S	S	*	*			trans	67	167.1	154.4	-71.7	-169.9	178.7	-175.4	0	117.7	T1141	K732-T1141 WeakPolarHBondContact O-CG2 3.37Å
733	T	25.4	Very low	26.3	Very low	87 Å²	87	130.5 Å²	130.5	53%	0.534	67%	0.67	S	S	.	*				-168.9	151.1	-67.1	28.8	0	0	0	0	109.7
734	H	28.3	Very low	26.4	Very low	133 Å²	133	131.3 Å²	131.3	62%	0.616	67%	0.674	S	S	*	*			trans	70.4	121.5	178.1	-57.6	-70.2	0	0	0	114.4	I1142	H734-I1142 VanDerWaalsContact O-CD1 3.28Å; H734-I1142 WeakPolarHBondContact O-CD1 3.49Å
735	Q	24.8	Very low	26.5	Very low	155 Å²	155	135.1 Å²	135.1	72%	0.724	68%	0.683	S	S	*	*				66.3	130.1	80.8	-68.4	173.8	-56.5	0	0	112.4
736	T	25.5	Very low	26.6	Very low	127 Å²	127	129.7 Å²	129.7	78%	0.779	67%	0.674	S	S	*	*			cis	-158.6	173.1	18.7	-12.6	0	0	0	0	113.2
737	T	27.4	Very low	26.4	Very low	117 Å²	117	131.6 Å²	131.6	72%	0.718	68%	0.679	S	S	*	*			trans	98.8	94.7	154.1	-48	0	0	0	0	120.3
738	I	29	Very low	26.4	Very low	148 Å²	148	129.7 Å²	129.7	76%	0.759	68%	0.676	S	S	*	*				48.1	106.3	128.6	-56.4	172.9	0	0	0	117.4
739	Q	25.7	Very low	26.3	Very low	163 Å²	163	126.5 Å²	126.5	76%	0.762	67%	0.673	S	S	*	*				63.9	160	89.8	-83.5	-159.9	21	0	0	116.2
740	P	31	Very low	26.6	Very low	103 Å²	103	127.6 Å²	127.6	67%	0.669	68%	0.675	S	S	*	*			cis	-139.5	150.4	9.3	33.7	-11.9	0	0	0	118.7
741	V	28.1	Very low	27	Very low	60 Å²	60	126.3 Å²	126.3	36%	0.364	68%	0.676	S	S	.	*			trans	61	142.5	131.7	-176.5	0	0	0	0	121.5	Q1286	V741-Q1286 HydrophobicContact CG1-CG 3.34Å; V741-Q1286 VanDerWaalsContact CG1-NE2 3.35Å
742	Y	25.4	Very low	27.5	Very low	122 Å²	122	127.3 Å²	127.3	48%	0.478	69%	0.687	S	S	.	*			cis	170.5	125.9	-42.4	-78.5	145.2	0	0	0	108	D1284	Y742-D1284 HydrophobicContact CD1-CB 3.29Å; Y742-D1284 HydrophobicContact CE1-CB 4.21Å; Y742-D1284 HydrophobicContact CG-CB 3.55Å
743	M	25.5	Very low	27.7	Very low	140 Å²	140	124.6 Å²	124.6	69%	0.69	69%	0.687	S	S	*	*			trans	-174.8	172.5	159.9	-124.2	-65.9	174.3	0	0	110.6
744	N	29.2	Very low	27.9	Very low	136 Å²	136	125.7 Å²	125.7	73%	0.727	69%	0.694	S	S	*	*			trans	-134	115.8	-179.3	-144.4	-17.6	0	0	0	110.6
745	L	30.4	Very low	27.8	Very low	157 Å²	157	124.8 Å²	124.8	82%	0.822	70%	0.698	S	S	*	*			trans	-149.7	134.6	174.7	-106.2	173.8	0	0	0	113.4
746	V	27.5	Very low	28	Very low	120 Å²	120	123.5 Å²	123.5	73%	0.727	70%	0.696	S	S	*	*			trans	-9.7	129.2	144.3	171.6	0	0	0	0	117.6
747	H	24.6	Very low	28	Very low	161 Å²	161	122.1 Å²	122.1	75%	0.745	69%	0.688	S	S	*	*			trans	54	147.6	148.9	-91.2	-106.8	0	0	0	122.8
748	D	25	Very low	27.8	Very low	125 Å²	125	124.6 Å²	124.6	67%	0.668	69%	0.693	S	S	*	*			trans	57.5	82.4	143.9	-56.2	-25.3	0	0	0	120.6
749	S	23.5	Very low	27.7	Very low	108 Å²	108	127 Å²	127	76%	0.755	70%	0.698	S	S	*	*				85.8	160.2	116.9	78.1	0	0	0	0	121.2
750	V	29	Very low	27.7	Very low	127 Å²	127	124.1 Å²	124.1	77%	0.77	70%	0.696	S	S	*	*			trans	68	76.9	168.7	-163.5	0	0	0	0	117.3
751	A	31.9	Very low	27.3	Very low	75 Å²	75	126.7 Å²	126.7	62%	0.62	70%	0.704	S	S	*	*				48.6	141.9	110.9	0	0	0	0	0	122.1
752	N	32.3	Very low	27.5	Very low	158 Å²	158	129 Å²	129	85%	0.845	72%	0.72	S	S	*	*			trans	64.3	135.7	136.1	-65.7	0.9	0	0	0	119
753	S	31.2	Very low	27.4	Very low	95 Å²	95	130.6 Å²	130.6	66%	0.664	74%	0.735	S	S	*	*			cis	-169.2	146.2	13.8	50.1	0	0	0	0	114.7
754	T	29.6	Very low	27.3	Very low	109 Å²	109	129.7 Å²	129.7	67%	0.669	74%	0.738	S	S	*	*			trans	59.4	121.3	130.5	64.4	0	0	0	0	124.2
755	T	27.1	Very low	27	Very low	115 Å²	115	131.1 Å²	131.1	71%	0.706	74%	0.739	S	S	*	*				76.5	163.6	122.8	69.9	0	0	0	0	120.3
756	N	28.8	Very low	26.6	Very low	127 Å²	127	129.2 Å²	129.2	68%	0.679	73%	0.734	S	S	*	*			cis	-155.4	158.9	9.1	-135.1	2.7	0	0	0	114.5
757	T	26.5	Very low	26.3	Very low	98 Å²	98	127.7 Å²	127.7	60%	0.601	73%	0.729	S	S	*	*			trans	31.9	155.5	144	56.6	0	0	0	0	122.9
758	M	23.3	Very low	26.2	Very low	169 Å²	169	126.1 Å²	126.1	83%	0.833	73%	0.726	S	S	*	*			cis	-178.4	152.4	-7.3	-104	168.6	175	0	0	107.4
759	K	26.6	Very low	26.1	Very low	200 Å²	200	125.5 Å²	125.5	87%	0.87	73%	0.727	S	S	*	*			trans	170.6	133.9	130.2	-100	177.1	179.9	-177.8	0	117.1
760	S	24.6	Very low	26.2	Very low	102 Å²	102	124.8 Å²	124.8	71%	0.713	72%	0.722	S	S	*	*			trans	14.5	130.2	139.2	61.2	0	0	0	0	123.4
761	N	22.9	Very low	26.1	Very low	157 Å²	157	126.5 Å²	126.5	84%	0.84	72%	0.721	S	S	*	*			trans	-72.1	175.5	140	-64.9	-34.6	0	0	0	110.4
762	P	33.2	Very low	25.8	Very low	108 Å²	108	128.4 Å²	128.4	70%	0.701	73%	0.725	S	S	*	*			cis	-130.7	-178.6	-3.1	21	5.3	0	0	0	115
763	I	23	Very low	25.5	Very low	156 Å²	156	125.5 Å²	125.5	80%	0.8	71%	0.714	S	S	*	*			trans	22.6	131.2	150.7	-44.2	153.3	0	0	0	119.7
764	V	22.9	Very low	25.4	Very low	121 Å²	121	129.7 Å²	129.7	73%	0.733	72%	0.72	S	S	*	*				160.3	111.9	127.3	161.2	0	0	0	0	112
765	H	22.4	Very low	25.1	Very low	165 Å²	165	133.3 Å²	133.3	76%	0.764	73%	0.726	S	S	*	*			trans	54.6	158	147	-78.8	-99.8	0	0	0	124.5
766	T	23.4	Very low	24.9	Very low	117 Å²	117	133 Å²	133	72%	0.718	73%	0.727	S	S	*	*			trans	59.4	117	169.8	48	0	0	0	0	114.8
767	S	21.1	Very low	24.7	Very low	88 Å²	88	133.5 Å²	133.5	62%	0.615	74%	0.735	S	S	*	*			cis	61.9	146.6	49.4	100.1	0	0	0	0	112
768	D	22	Very low	24.6	Very low	129 Å²	129	131.8 Å²	131.8	69%	0.69	74%	0.736	S	S	*	*			cis	-144.9	-176.1	24	-127.7	-53.7	0	0	0	114.6
769	T	23.4	Very low	25.2	Very low	111 Å²	111	128.6 Å²	128.6	68%	0.681	73%	0.731	S	S	*	*			trans	9.4	134.1	157.6	55.6	0	0	0	0	118.1
770	S	25.3	Very low	25.1	Very low	93 Å²	93	126.6 Å²	126.6	65%	0.65	73%	0.728	S	S	*	*				-158.3	133.1	63.6	61.1	0	0	0	0	115.7
771	H	26.1	Very low	25.2	Very low	163 Å²	163	126.1 Å²	126.1	76%	0.755	72%	0.724	S	S	*	*			trans	57.8	132.8	141.9	-53	-35.6	0	0	0	118.3
772	T	26.7	Very low	25.3	Very low	115 Å²	115	124.8 Å²	124.8	71%	0.706	72%	0.717	S	S	*	*			cis	-161.7	161.1	19.4	-9.5	0	0	0	0	112.3
773	T	26.6	Very low	25	Very low	98 Å²	98	126.4 Å²	126.4	60%	0.601	72%	0.719	S	S	*	*			trans	57.1	121.1	149.7	52.1	0	0	0	0	122.2
774	K	27.4	Very low	25.5	Very low	183 Å²	183	123.4 Å²	123.4	80%	0.796	71%	0.712	S	S	*	*				74.5	143.2	124.9	-64.3	172.5	-174.1	171.7	0	116.4
775	K	24.1	Very low	26.4	Very low	184 Å²	184	126 Å²	126	80%	0.8	71%	0.714	S	S	*	*	S	Bend	cis	73.7	128.8	41.7	-161.9	-177.1	-171.7	178.8	0	111.8
776	C	23.8	Very low	26.7	Very low	108 Å²	108	124.6 Å²	124.6	73%	0.73	71%	0.711	S	S	*	*			trans	3.5	137.4	162.4	-46.3	0	0	0	0	120
777	V	23.7	Very low	27	Very low	139 Å²	139	124.1 Å²	124.1	84%	0.842	71%	0.71	S	S	*	*			trans	72.3	144	158.9	-178.7	0	0	0	0	114.6
778	G	25	Very low	27.3	Very low	61 Å²	61	125.2 Å²	125.2	63%	0.629	71%	0.709	S	S	*	*			cis	-115.3	-175	-2.2	0	0	0	0	0	113.3
779	S	35.9	Very low	27.5	Very low	103 Å²	103	128 Å²	128	72%	0.72	71%	0.711	S	S	*	*			cis	56	63.6	21.2	83.5	0	0	0	0	113.9
780	I	24.4	Very low	27.6	Very low	158 Å²	158	130.2 Å²	130.2	81%	0.81	71%	0.712	S	S	*	*			trans	-123.1	119.6	138.1	-93.5	163	0	0	0	103.6
781	C	25.4	Very low	27.7	Very low	91 Å²	91	130.9 Å²	130.9	62%	0.615	71%	0.712	S	S	*	*				70	125.6	67.8	-73	0	0	0	0	109.9
782	D	26.1	Very low	27.6	Very low	130 Å²	130	133.5 Å²	133.5	70%	0.695	72%	0.715	S	S	*	*			cis	-145.4	170.2	9.5	-84.2	-44.8	0	0	0	112.2
783	D	27.5	Very low	27.6	Very low	141 Å²	141	134.2 Å²	134.2	75%	0.754	71%	0.713	S	S	*	*			trans	47	131.9	138.5	-70.1	-20.4	0	0	0	120.3
784	S	32.9	Very low	27.8	Very low	93 Å²	93	135 Å²	135	65%	0.65	72%	0.717	S	S	*	*				-162.8	147.2	54	31.6	0	0	0	0	115.2
785	K	42.2	Very low	27.8	Very low	177 Å²	177	132.5 Å²	132.5	77%	0.77	71%	0.713	S	S	*	*			trans	71.5	88.8	159.3	-65.1	148.9	-172.9	169.7	0	114
786	L	27.4	Very low	28.1	Very low	134 Å²	134	129.5 Å²	129.5	70%	0.702	71%	0.705	S	S	*	*				74.2	149.8	72	-68.5	161.9	0	0	0	113	N788	L786-N788 WeakPolarHBondContact CD2-ND2 3.27Å
787	P	30.3	Very low	28.4	Very low	107 Å²	107	130.1 Å²	130.1	70%	0.695	70%	0.701	S	S	*	*			cis	-100.1	166.9	-1.8	4.8	19.7	0	0	0	111.9
788	N	26.4	Very low	28.9	Very low	111 Å²	111	131.9 Å²	131.9	59%	0.594	70%	0.7	S	S	*	*				52.7	138.7	68.8	-50.1	-30	0	0	0	112.6	L786	L786-N788 WeakPolarHBondContact CD2-ND2 3.27Å
789	Y	26.4	Very low	29.4	Very low	188 Å²	188	137.7 Å²	137.7	74%	0.737	71%	0.711	S	S	*	*			cis	-147.9	147.3	43.2	-100.4	-99.4	0	0	0	114.7
790	F	26.6	Very low	29.4	Very low	158 Å²	158	139.8 Å²	139.8	69%	0.693	71%	0.714	S	S	*	*			trans	36.5	107.6	130.9	-73.4	-114.1	0	0	0	118
791	T	26.1	Very low	29.4	Very low	106 Å²	106	138.9 Å²	138.9	65%	0.65	71%	0.711	S	S	*	*				65.8	123.5	78.2	67.8	0	0	0	0	116.7
792	R	24.1	Very low	29.3	Very low	218 Å²	218	141.2 Å²	141.2	82%	0.823	72%	0.722	S	S	*	*				65.7	158.4	127.9	-157.9	-153.1	-72.2	-172.9	-3.3	118
793	I	27.4	Very low	29.3	Very low	130 Å²	130	140.7 Å²	140.7	67%	0.667	72%	0.723	S	S	*	*			trans	73.2	109.7	170.4	-31.1	-175	0	0	0	108.5
794	V	30.4	Very low	29.3	Very low	114 Å²	114	140 Å²	140	69%	0.691	72%	0.72	S	S	*	*				55.6	108.6	71.5	-179.5	0	0	0	0	106.9
795	D	28.1	Very low	29.1	Very low	131 Å²	131	144.6 Å²	144.6	70%	0.701	72%	0.724	S	S	*	*				-153.5	172.3	54.9	-107.4	-52	0	0	0	112.8
796	N	30	Very low	28.5	Very low	121 Å²	121	142.5 Å²	142.5	65%	0.647	72%	0.717	S	S	*	*			trans	33.3	123.7	144.7	-70.1	-58.8	0	0	0	122.3
797	N	29.9	Very low	28.5	Very low	121 Å²	121	142 Å²	142	65%	0.647	72%	0.715	S	S	*	*				78	127.2	129.4	-72	-39.8	0	0	0	122.7
798	H	34	Very low	28.5	Very low	176 Å²	176	143.1 Å²	143.1	82%	0.815	72%	0.72	S	S	*	*			trans	77.1	166.6	154	-67.5	55.3	0	0	0	118.2
799	H	35.6	Very low	28.6	Very low	184 Å²	184	141.6 Å²	141.6	85%	0.852	72%	0.723	S	S	*	*			trans	-105.7	159.2	-166.4	-76.1	1.1	0	0	0	113.2
800	N	36.8	Very low	28.6	Very low	146 Å²	146	138.3 Å²	138.3	78%	0.781	72%	0.723	S	S	*	*			trans	35.8	83.7	158.7	-74.7	24.4	0	0	0	116.9
801	D	23.5	Very low	28.5	Very low	140 Å²	140	138 Å²	138	75%	0.749	73%	0.728	S	S	*	*				42.1	144.2	123.1	-58.7	-29.2	0	0	0	122.2
802	T	23.9	Very low	28.9	Very low	139 Å²	139	137.6 Å²	137.6	85%	0.853	73%	0.728	S	S	*	*			trans	69	123.4	165.8	60	0	0	0	0	115.7
803	V	25.8	Very low	28.8	Very low	119 Å²	119	133.7 Å²	133.7	72%	0.721	72%	0.722	S	S	*	*			cis	-143.9	133.8	21.5	176.9	0	0	0	0	112.8
804	N	27.2	Very low	28.8	Very low	127 Å²	127	137.1 Å²	137.1	68%	0.679	73%	0.727	S	S	*	*			trans	79.5	143.9	151.1	-79.5	-6.9	0	0	0	125.5
805	Y	29.3	Very low	28.4	Very low	189 Å²	189	136.4 Å²	136.4	74%	0.741	73%	0.728	S	S	*	*			trans	81.5	91.7	150.3	-71.5	-58	0	0	0	122.6
806	Q	28.8	Very low	28.1	Very low	134 Å²	134	134.1 Å²	134.1	63%	0.626	72%	0.722	S	S	*	*				91.8	108.8	115.4	-125.2	58	26.2	0	0	122.8
807	D	28.4	Very low	27.9	Very low	123 Å²	123	132.1 Å²	132.1	66%	0.658	73%	0.73	S	S	*	*			trans	56.3	149.8	131.7	-56.5	-5.9	0	0	0	121.8
808	T	29.5	Very low	27.8	Very low	130 Å²	130	134.8 Å²	134.8	80%	0.798	74%	0.736	S	S	*	*			cis	-161.1	162.2	9.6	-5.8	0	0	0	0	114.4
809	A	29.7	Very low	27.5	Very low	79 Å²	79	132.4 Å²	132.4	65%	0.653	73%	0.729	S	S	*	*			trans	76	97.4	138.2	0	0	0	0	0	125.8
810	T	26.5	Very low	26.9	Very low	120 Å²	120	130.1 Å²	130.1	74%	0.736	72%	0.723	S	S	*	*				47.6	127.9	119.3	60.9	0	0	0	0	126.5
811	N	24.5	Very low	26.4	Very low	150 Å²	150	129.1 Å²	129.1	80%	0.802	72%	0.718	S	S	*	*			trans	69.4	176.5	132.4	-67.5	-16.3	0	0	0	120.5
812	P	33.5	Very low	26.6	Very low	99 Å²	99	130.6 Å²	130.6	64%	0.643	72%	0.72	S	S	*	*				-147.6	-176.1	-67.2	48.5	-31.5	0	0	0	117.4
813	I	22.1	Very low	26.6	Very low	136 Å²	136	129.8 Å²	129.8	70%	0.697	71%	0.71	S	S	*	*			trans	72	161.6	159.6	-43.1	155.9	0	0	0	118.9
814	Y	26.8	Very low	26.4	Very low	201 Å²	201	134.8 Å²	134.8	79%	0.788	72%	0.716	S	S	*	*			trans	85.6	130	169.2	-62.1	-81.1	0	0	0	116.1
815	S	21.8	Very low	26.3	Very low	100 Å²	100	134.2 Å²	134.2	70%	0.699	72%	0.716	S	S	*	*			cis	75.4	140.3	28.6	-149	0	0	0	0	112.4
816	S	23.7	Very low	26	Very low	83 Å²	83	131.6 Å²	131.6	58%	0.58	72%	0.715	S	S	*	*			cis	-178.2	152.1	-10.9	39.6	0	0	0	0	109.4	F818	S816-F818 WeakPolarHBondContact O-CD2 3.42Å; S816-F818 VanDerWaalsContact O-CE2 3.3Å; S816-F818 WeakPolarHBondContact O-CE2 3.38Å
817	G	25.8	Very low	25.7	Very low	79 Å²	79	131 Å²	131	81%	0.814	72%	0.721	S	S	*	*			trans	71.2	-171	172.9	0	0	0	0	0	113.8
818	F	26	Very low	25.4	Very low	177 Å²	177	129.8 Å²	129.8	78%	0.776	72%	0.722	S	S	*	*			cis	-151.7	143.4	9	-90.9	-96.8	0	0	0	106.7	S816	S816-F818 WeakPolarHBondContact O-CD2 3.42Å; S816-F818 VanDerWaalsContact O-CE2 3.3Å; S816-F818 WeakPolarHBondContact O-CE2 3.38Å
819	L	28.8	Very low	25.1	Very low	125 Å²	125	130.1 Å²	130.1	65%	0.654	71%	0.713	S	S	*	*			cis	-129.5	-172.7	0.1	-78.1	147.4	0	0	0	107.5
820	N	23.1	Very low	25	Very low	136 Å²	136	130.2 Å²	130.2	73%	0.727	70%	0.702	S	S	*	*			cis	68.7	149.2	24.8	-40.4	-18.3	0	0	0	113.7
821	N	25.9	Very low	24.9	Very low	126 Å²	126	132.2 Å²	132.2	67%	0.674	70%	0.697	S	S	*	*			cis	-126.9	-172.3	6.7	-69.8	-55.3	0	0	0	108.7
822	E	27.2	Very low	25	Very low	170 Å²	170	131.2 Å²	131.2	79%	0.794	68%	0.683	S	S	*	*			cis	-152	179.4	13.6	-153.3	145	-150.7	0	0	114.1
823	L	24.4	Very low	24.8	Very low	123 Å²	123	131.9 Å²	131.9	64%	0.644	68%	0.681	S	S	*	*			trans	-68.7	154.9	-163.3	-79.4	64	0	0	0	117.3
824	R	22	Very low	25.1	Very low	224 Å²	224	128 Å²	128	85%	0.845	67%	0.667	S	S	*	*				97.8	146.8	125.6	-101.6	174.2	-177.2	173.5	0.4	122.5
825	V	24.4	Very low	25.1	Very low	114 Å²	114	124 Å²	124	69%	0.691	66%	0.658	S	S	*	*			trans	91.7	107.9	148.8	165.5	0	0	0	0	118.8
826	D	22.7	Very low	25.2	Very low	135 Å²	135	123.9 Å²	123.9	72%	0.722	65%	0.65	S	S	*	*			trans	76.8	131.8	139.3	-61.4	2.2	0	0	0	125.7
827	T	23.3	Very low	25.3	Very low	120 Å²	120	124.9 Å²	124.9	74%	0.736	65%	0.649	S	S	*	*			trans	66.8	107.3	142.2	51.8	0	0	0	0	123.7
828	S	22.4	Very low	25.3	Very low	98 Å²	98	128.4 Å²	128.4	69%	0.685	64%	0.638	S	S	*	*			trans	68.5	160.4	132.2	63.4	0	0	0	0	122.5
829	F	23.3	Very low	25.3	Very low	138 Å²	138	123.9 Å²	123.9	61%	0.605	62%	0.622	S	S	*	*			trans	80.6	137.1	179.5	-61	-82	0	0	0	118.2
830	N	26.1	Very low	25.2	Very low	80 Å²	80	122.9 Å²	122.9	43%	0.428	62%	0.617	S	S	.	*				175.9	110.7	-125.9	164.2	96.4	0	0	0	111.7	E1233 C1234 P1235	N830-E1233 CarbonylContact O-C 3.26Å; N830-E1233 WeakPolarHBondContact O-CB 3.22Å; N830-C1234 WeakPolarHBondContact ND2-CA 3.39Å; N830-C1234 PolarHBondContact ND2-N 2.8Å; N830-C1234 VanDerWaalsContact ND2-N 3.15Å; N830-C1234 PolarHBondContact ND2-O 3.02Å; N830-C1234 WeakPolarHBondContact O-CA 3.49Å; N830-C1234 PolarHBondContact O-N 2.88Å; N830-P1235 HydrophobicContact CB-CB 4.47Å; N830-P1235 WeakPolarHBondContact OD1-CB 3.3Å; N830-P1235 VanDerWaalsContact OD1-CG 3.22Å; N830-P1235 WeakPolarHBondContact OD1-CG 3.33Å
831	Y	25.5	Very low	25.3	Very low	163 Å²	163	119.4 Å²	119.4	64%	0.639	60%	0.598	S	S	*	*			trans	-139.4	164.2	-168.3	-175.1	-123.9	0	0	0	118.2	E1233 C1234 P1235 T1236	Y831-E1233 HydrophobicContact CD2-CB 3.82Å; Y831-E1233 HydrophobicContact CD2-CG 3.41Å; Y831-E1233 VanDerWaalsContact CD2-CG 3.41Å; Y831-E1233 HydrophobicContact CE2-CG 4.19Å; Y831-E1233 HydrophobicContact CG-CB 4.34Å; Y831-E1233 HydrophobicContact CG-CG 3.98Å; Y831-C1234 HydrophobicContact CD2-CB 4.48Å; Y831-P1235 VanDerWaalsContact C-CA 3.41Å; Y831-P1235 CarbonylContact O-C 3.12Å; Y831-P1235 WeakPolarHBondContact O-CA 3.44Å; Y831-P1235 WeakPolarHBondContact O-CB 3.11Å; Y831-T1236 PolarHBondContact O-N 3.31Å; Y831-T1236 PolarHBondContact O-OG1 2.72Å
832	Y	26.2	Very low	25.5	Very low	129 Å²	129	117.9 Å²	117.9	51%	0.506	60%	0.598	S	S	.	*			trans	-88.6	158.9	-177.2	-76.1	-44.9	0	0	0	113.3	C1234 P1235 T1236	Y832-C1234 HydrophobicContact CD1-CB 4.19Å; Y832-C1234 HydrophobicContact CD2-CB 3.37Å; Y832-C1234 HydrophobicContact CE1-CB 4.17Å; Y832-C1234 HydrophobicContact CE2-CB 3.37Å; Y832-C1234 WeakPolarHBondContact CE2-SG 3.27Å; Y832-C1234 HydrophobicContact CG-CB 3.78Å; Y832-P1235 VanDerWaalsContact CD1-C 3.45Å; Y832-P1235 VanDerWaalsContact CD1-O 3.24Å; Y832-P1235 WeakPolarHBondContact CD1-O 3.28Å; Y832-P1235 WeakPolarHBondContact CE1-O 3.45Å; Y832-T1236 VanDerWaalsContact C-OG1 3.26Å; Y832-T1236 VanDerWaalsContact CA-OG1 3.26Å; Y832-T1236 WeakPolarHBondContact CA-OG1 3.47Å
833	D	28.6	Very low	25.5	Very low	112 Å²	112	113.7 Å²	113.7	60%	0.599	58%	0.578	S	S	*	*			cis	-132	-161.9	-2.6	-158	28.4	0	0	0	108.2	T1236	D833-T1236 WeakPolarHBondContact CA-OG1 3.47Å; D833-T1236 PolarHBondContact N-OG1 2.74Å; D833-T1236 VanDerWaalsContact N-OG1 3.13Å; D833-T1236 VanDerWaalsContact O-CG2 3.31Å; D833-T1236 WeakPolarHBondContact O-CG2 3.36Å; D833-T1236 PolarHBondContact O-OG1 3.22Å
834	S	29.4	Very low	25.7	Very low	56 Å²	56	112.8 Å²	112.8	39%	0.392	57%	0.569	S	S	.	*			cis	-156.5	178.8	4.7	-154.9	0	0	0	0	115	T1238	S834-T1238 VanDerWaalsContact C-OG1 3.26Å; S834-T1238 PolarHBondContact O-OG1 2.88Å
835	N	26.2	Very low	25.8	Very low	115 Å²	115	107.8 Å²	107.8	62%	0.615	56%	0.559	S	S	*	*			trans	-12.4	154.7	160.6	-68.1	-67.5	0	0	0	120.4	T1238	N835-T1238 PolarHBondContact N-OG1 2.88Å
836	N	25.4	Very low	26.2	Very low	99 Å²	99	105.6 Å²	105.6	53%	0.529	56%	0.56	S	S	.	*			cis	-155	147.8	10.5	-124.3	-37.3	0	0	0	115.8	T1238 L1239	N836-T1238 VanDerWaalsContact C-CG2 3.44Å; N836-L1239 WeakPolarHBondContact O-CD2 3.29Å
837	N	24.7	Very low	26.5	Very low	104 Å²	104	107 Å²	107	56%	0.556	56%	0.56	S	S	*	*			trans	71.2	136	149.8	-64.4	-47.9	0	0	0	127.5	L1239 L1240	N837-L1239 WeakPolarHBondContact O-CD2 3.41Å; N837-L1240 WeakPolarHBondContact O-CD2 3.21Å
838	R	25.1	Very low	26.8	Very low	152 Å²	152	107.8 Å²	107.8	57%	0.574	56%	0.555	S	S	*	*				117.1	115.3	116.1	-117.3	-177.3	173.1	-84.9	1.6	128.6	L1240 S1241	R838-L1240 HydrophobicContact CB-CD2 4.36Å; R838-L1240 VanDerWaalsContact O-CB 3.28Å; R838-L1240 WeakPolarHBondContact O-CB 3.36Å; R838-L1240 WeakPolarHBondContact O-CD2 3.42Å; R838-S1241 VanDerWaalsContact C-N 3.25Å
839	D	25.9	Very low	26.9	Very low	83 Å²	83	109 Å²	109	44%	0.444	56%	0.558	S	S	.	*			trans	72.4	126.3	171.3	-44.5	-71.9	0	0	0	117.4	L1240 S1241 A1242	D839-L1240 CarbonylContact O-C 3.4Å; D839-L1240 WeakPolarHBondContact O-CB 3.33Å; D839-S1241 PolarHBondContact N-OG 3.09Å; D839-S1241 PolarHBondContact O-N 3.39Å; D839-A1242 VanDerWaalsContact C-N 3.32Å; D839-A1242 HydrophobicContact CB-CB 4.17Å; D839-A1242 VanDerWaalsContact OD1-CB 3.28Å; D839-A1242 WeakPolarHBondContact OD1-CB 3.2Å
840	D	27.8	Very low	27.1	Very low	103 Å²	103	108.1 Å²	108.1	55%	0.551	56%	0.564	S	S	*	*			cis	-125.7	178	17	-153.4	112.5	0	0	0	115.4	S1241 A1242	D840-S1241 VanDerWaalsContact C-C 3.46Å; D840-S1241 CarbonylContact O-C 3.55Å; D840-A1242 VanDerWaalsContact C-CA 3.49Å; D840-A1242 CarbonylContact C-O 2.81Å; D840-A1242 VanDerWaalsContact C-O 3.31Å; D840-A1242 VanDerWaalsContact CA-CA 3.49Å; D840-A1242 WeakPolarHBondContact CA-O 3.35Å; D840-A1242 WeakPolarHBondContact CB-O 3.47Å; D840-A1242 VanDerWaalsContact N-N 3.1Å; D840-A1242 PolarHBondContact O-N 3.05Å
841	N	24.9	Very low	27	Very low	63 Å²	63	110.1 Å²	110.1	34%	0.337	58%	0.575	S	S	.	*	B	Isolated β-bridge	trans	-144	-167.8	-166.4	100	89.7	0	0	0	117.7	S1241 A1242 P1243 R1244	N841-S1241 WeakPolarHBondContact CB-O 3.21Å; N841-A1242 VanDerWaalsContact CG-C 3.47Å; N841-A1242 PolarHBondContact N-O 3.12Å; N841-A1242 VanDerWaalsContact N-O 3.09Å; N841-P1243 VanDerWaalsContact CA-N 3.31Å; N841-P1243 HydrophobicContact CB-CB 3.81Å; N841-P1243 HydrophobicContact CB-CG 3.74Å; N841-P1243 VanDerWaalsContact N-N 3.14Å; N841-P1243 WeakPolarHBondContact ND2-CA 3.48Å; N841-P1243 WeakPolarHBondContact ND2-CB 3.47Å; N841-P1243 WeakPolarHBondContact ND2-CD 3.2Å; N841-P1243 WeakPolarHBondContact ND2-CG 3.07Å; N841-P1243 PolarHBondContact ND2-O 3.36Å; N841-P1243 WeakPolarHBondContact O-CA 3.11Å; N841-P1243 WeakPolarHBondContact OD1-CA 3.48Å; N841-P1243 WeakPolarHBondContact OD1-CB 3.42Å; N841-P1243 WeakPolarHBondContact OD1-CD 3.15Å; N841-P1243 WeakPolarHBondContact OD1-CG 3.17Å; N841-R1244 PolarHBondContact O-N 3.13Å
842	S	30	Very low	26.9	Very low	95 Å²	95	107 Å²	107	66%	0.664	57%	0.568	S	S	*	*			trans	-139.4	147.2	160.9	75.1	0	0	0	0	117.7	P1243 R1244	S842-P1243 VanDerWaalsContact C-CB 3.49Å; S842-P1243 WeakPolarHBondContact O-CB 3.26Å; S842-R1244 VanDerWaalsContact CA-O 3.24Å; S842-R1244 WeakPolarHBondContact CA-O 3.38Å; S842-R1244 WeakPolarHBondContact CB-O 3.23Å
843	Q	27.1	Very low	26.8	Very low	81 Å²	81	104.6 Å²	104.6	38%	0.379	56%	0.564	S	S	.	*			trans	-94.7	162.1	-164.7	-70.6	-179.4	-80.4	0	0	114.9	P1243	Q843-P1243 HydrophobicContact CB-CB 4.33Å; Q843-P1243 HydrophobicContact CG-CB 3.54Å
844	F	29.6	Very low	26.6	Very low	104 Å²	104	105.8 Å²	105.8	46%	0.456	56%	0.564	S	S	.	*				-152.8	161.8	110.5	-121.4	-77.2	0	0	0	116.2	S1246 Q1247	F844-S1246 WeakPolarHBondContact CD2-O 3.32Å; F844-S1246 VanDerWaalsContact CE2-CA 3.5Å; F844-S1246 VanDerWaalsContact CE2-N 3.31Å; F844-S1246 WeakPolarHBondContact CE2-O 3.47Å; F844-Q1247 HydrophobicContact CD1-CB 3.63Å; F844-Q1247 VanDerWaalsContact CD1-CD 3.45Å; F844-Q1247 HydrophobicContact CD1-CG 3.4Å; F844-Q1247 HydrophobicContact CD2-CB 4.24Å; F844-Q1247 HydrophobicContact CE1-CB 3.39Å; F844-Q1247 HydrophobicContact CE1-CG 3.63Å; F844-Q1247 HydrophobicContact CE2-CB 4.11Å; F844-Q1247 HydrophobicContact CG-CB 4.16Å; F844-Q1247 HydrophobicContact CG-CG 4.04Å; F844-Q1247 HydrophobicContact CZ-CB 3.7Å; F844-Q1247 HydrophobicContact CZ-CG 4.4Å
845	N	24.5	Very low	26.5	Very low	119 Å²	119	109.6 Å²	109.6	64%	0.636	59%	0.585	S	S	*	*			trans	-118.5	149.8	-172.1	-121.9	-6.7	0	0	0	111.7	Q1247	N845-Q1247 PolarHBondContact O-NE2 2.82Å; N845-Q1247 VanDerWaalsContact O-NE2 3.12Å
846	G	31.6	Very low	26.4	Very low	68 Å²	68	111.3 Å²	111.3	70%	0.701	59%	0.593	S	S	*	*			trans	-167	77.1	-178.1	0	0	0	0	0	120.3
847	K	29.3	Very low	26.2	Very low	166 Å²	166	110.5 Å²	110.5	72%	0.722	60%	0.595	S	S	*	*			trans	69.8	156.2	143.5	-79.9	175.1	138.3	-75.7	0	123.2
848	E	30.6	Very low	26.2	Very low	136 Å²	136	111.8 Å²	111.8	64%	0.636	60%	0.602	S	S	*	*			trans	40.4	115.9	164	-79.8	88.4	-88.5	0	0	120.6
849	T	24.1	Very low	26.2	Very low	122 Å²	122	115.2 Å²	115.2	75%	0.748	62%	0.617	S	S	*	*			cis	100.9	132.9	6.2	82.4	0	0	0	0	119.8
850	V	26.9	Very low	26	Very low	120 Å²	120	118.6 Å²	118.6	73%	0.727	64%	0.635	S	S	*	*			trans	88.4	92.9	149.9	171.9	0	0	0	0	119.8
851	N	23.4	Very low	25.8	Very low	123 Å²	123	116.6 Å²	116.6	66%	0.658	63%	0.632	S	S	*	*				70.2	123.8	113.8	-67.3	4.3	0	0	0	125
852	I	24.1	Very low	25.8	Very low	98 Å²	98	117.5 Å²	117.5	50%	0.503	64%	0.637	S	S	.	*				91	115.9	116.7	-70.1	175.5	0	0	0	121.2
853	D	23.2	Very low	25.6	Very low	78 Å²	78	118.6 Å²	118.6	42%	0.417	63%	0.634	S	S	.	*			trans	95.4	121.8	138.7	-85.2	10.2	0	0	0	124.6	N1271 N1272	D853-N1271 PolarHBondContact OD1-ND2 3.24Å; D853-N1272 PolarHBondContact OD1-ND2 2.85Å; D853-N1272 VanDerWaalsContact OD1-ND2 3.13Å; D853-N1272 PolarHBondContact OD2-ND2 3.23Å
854	K	25.1	Very low	25.4	Very low	136 Å²	136	120 Å²	120	59%	0.591	64%	0.644	S	S	*	*			trans	65.6	107.7	133.1	-65.5	167	-178.9	141.6	0	119.3	N1272	K854-N1272 WeakPolarHBondContact CE-ND2 3.16Å; K854-N1272 VanDerWaalsContact NZ-CG 3.35Å; K854-N1272 PolarHBondContact NZ-ND2 2.88Å; K854-N1272 VanDerWaalsContact NZ-ND2 3.12Å; K854-N1272 PolarHBondContact NZ-OD1 2.91Å
855	T	27.9	Very low	25.3	Very low	136 Å²	136	123 Å²	123	83%	0.834	66%	0.659	S	S	*	*				174.1	160.6	108.2	29.6	0	0	0	0	108.2
856	L	23	Very low	25.4	Very low	151 Å²	151	121.1 Å²	121.1	79%	0.791	65%	0.647	S	S	*	*			cis	-165.7	154.9	-39.3	-147.7	167.4	0	0	0	105.5
857	S	22.3	Very low	25.3	Very low	82 Å²	82	124.6 Å²	124.6	57%	0.573	65%	0.648	S	S	*	*			trans	80.6	129.6	164.4	-97.8	0	0	0	0	120.9
858	D	24	Very low	25	Very low	131 Å²	131	118.1 Å²	118.1	70%	0.701	63%	0.629	S	S	*	*			trans	59.9	118.1	137	-38.9	-29.5	0	0	0	119.2
859	Y	25.8	Very low	24.7	Very low	224 Å²	224	114.9 Å²	114.9	88%	0.878	63%	0.631	S	S	*	*				-157.9	171	61.9	-116.4	-91.6	0	0	0	115
860	D	21.6	Very low	24.8	Very low	154 Å²	154	113 Å²	113	82%	0.824	61%	0.611	S	S	*	*			trans	-73.1	127.9	171.9	-71.8	-71.1	0	0	0	113.7
861	A	22.7	Very low	24.7	Very low	61 Å²	61	113.9 Å²	113.9	50%	0.504	61%	0.605	S	S	.	*			trans	-167.1	158.8	156.6	0	0	0	0	0	113.5	I1559	A861-I1559 HydrophobicContact CB-CB 4.25Å; A861-I1559 HydrophobicContact CB-CD1 3.77Å; A861-I1559 HydrophobicContact CB-CG2 4.07Å
862	L	25.6	Very low	24.9	Very low	83 Å²	83	115 Å²	115	44%	0.435	61%	0.612	S	S	.	*			trans	74.9	127.2	160.5	-42.7	-173.2	0	0	0	120.1	D1558 I1559	L862-D1558 HydrophobicContact CD2-CB 4.01Å; L862-D1558 WeakPolarHBondContact CD2-O 2.93Å; L862-I1559 HydrophobicContact CD2-CB 3.74Å
863	I	26.3	Very low	25	Very low	117 Å²	117	116.6 Å²	116.6	60%	0.6	63%	0.626	S	S	*	*				-175.1	99.9	108	-68.3	-148.4	0	0	0	108.6	T1556 D1557	I863-T1556 HydrophobicContact CG2-CG2 4.35Å; I863-D1557 WeakPolarHBondContact CA-OD1 3.42Å
864	D	23.1	Very low	25	Very low	110 Å²	110	121.9 Å²	121.9	59%	0.588	64%	0.64	S	S	*	*	S	Bend	trans	-178.1	123.7	163.4	-99.8	-23	0	0	0	113.1	D1557	D864-D1557 VanDerWaalsContact C-C 3.47Å; D864-D1557 CarbonylContact C-O 3.4Å; D864-D1557 VanDerWaalsContact N-CA 3.27Å; D864-D1557 VanDerWaalsContact N-N 3.18Å; D864-D1557 CarbonylContact O-C 3.57Å; D864-D1557 PolarHBondContact O-N 2.97Å
865	Q	25.8	Very low	24.9	Very low	167 Å²	167	124.5 Å²	124.5	78%	0.78	65%	0.647	S	S	*	*			trans	89.6	103	-157.5	-65.6	-154.3	-48.7	0	0	124	F1555 T1556 D1557	Q865-F1555 WeakPolarHBondContact CA-O 3.44Å; Q865-F1555 PolarHBondContact N-O 2.77Å; Q865-T1556 CarbonylContact O-C 3.56Å; Q865-D1557 VanDerWaalsContact CA-N 3.3Å; Q865-D1557 WeakPolarHBondContact CB-O 3.48Å; Q865-D1557 CarbonylContact O-C 3.46Å; Q865-D1557 WeakPolarHBondContact O-CA 3.5Å; Q865-D1557 PolarHBondContact O-N 3.49Å
866	E	27.4	Very low	24.6	Very low	81 Å²	81	122.9 Å²	122.9	38%	0.379	64%	0.641	S	S	.	*			trans	-148.5	-175	173.7	135.8	-67.4	-28.7	0	0	111.1	G868 D1554 F1555 T1556	E866-G868 PolarHBondContact OE2-N 3.24Å; E866-D1554 CarbonylContact O-C 3.36Å; E866-F1555 PolarHBondContact O-N 2.84Å; E866-F1555 VanDerWaalsContact OE1-C 3.28Å; E866-F1555 WeakPolarHBondContact OE1-CA 3.44Å; E866-F1555 WeakPolarHBondContact OE1-CB 3.37Å; E866-F1555 PolarHBondContact OE1-N 3.25Å; E866-T1556 PolarHBondContact OE1-N 3.42Å
867	I	28.9	Very low	24.6	Very low	140 Å²	140	121.7 Å²	121.7	72%	0.718	64%	0.635	S	S	*	*			trans	-134	112.8	-174.2	-64.7	95.6	0	0	0	113.4	I1553 D1554	I867-I1553 HydrophobicContact CB-CG2 4.02Å; I867-I1553 HydrophobicContact CG1-CG2 4.39Å; I867-I1553 HydrophobicContact CG2-CG2 3.72Å; I867-D1554 CarbonylContact C-O 3.08Å; I867-D1554 WeakPolarHBondContact CA-O 3.4Å
868	G	24.1	Very low	24.7	Very low	31 Å²	31	124 Å²	124	32%	0.32	64%	0.641	S	S	.	*			trans	-91.4	-157.4	161.8	0	0	0	0	0	115.8	E866 I1553 D1554	E866-G868 PolarHBondContact OE2-N 3.24Å; G868-I1553 VanDerWaalsContact O-CD1 3.28Å; G868-I1553 WeakPolarHBondContact O-CD1 3.46Å; G868-I1553 WeakPolarHBondContact O-CG1 3.06Å; G868-I1553 WeakPolarHBondContact O-CG2 3.39Å; G868-D1554 PolarHBondContact N-O 3.3Å
869	G	23.9	Very low	24.7	Very low	67 Å²	67	124.4 Å²	124.4	69%	0.691	64%	0.643	S	S	*	*			trans	85.3	161.9	178.8	0	0	0	0	0	115
870	Y	25.1	Very low	24.6	Very low	83 Å²	83	120.5 Å²	120.5	33%	0.325	64%	0.637	S	S	.	*			cis	-161.1	154.5	3.9	-162.3	4.9	0	0	0	111.6	S1551 F1552 N2122 N2123	Y870-S1551 PolarHBondContact OH-OG 3Å; Y870-F1552 AromaticContact CD1-CD2 3.99Å; Y870-F1552 HydrophobicContact CD1-CD2 3.99Å; Y870-F1552 AromaticContact CD1-CE2 3.81Å; Y870-F1552 HydrophobicContact CD1-CE2 3.81Å; Y870-F1552 HydrophobicContact CD2-CD2 4.25Å; Y870-F1552 AromaticContact CE1-CD2 3.49Å; Y870-F1552 HydrophobicContact CE1-CD2 3.49Å; Y870-F1552 VanDerWaalsContact CE1-CD2 3.49Å; Y870-F1552 AromaticContact CE1-CE2 3.41Å; Y870-F1552 HydrophobicContact CE1-CE2 3.41Å; Y870-F1552 VanDerWaalsContact CE1-CE2 3.41Å; Y870-F1552 HydrophobicContact CE2-CB 4.31Å; Y870-F1552 AromaticContact CE2-CD2 3.74Å; Y870-F1552 HydrophobicContact CE2-CD2 3.74Å; Y870-F1552 HydrophobicContact CE2-CE2 4.49Å; Y870-F1552 HydrophobicContact CG-CD2 4.39Å; Y870-F1552 AromaticContact CZ-CD2 3.35Å; Y870-F1552 AromaticContact CZ-CE2 3.8Å; Y870-N2122 PolarHBondContact OH-O 2.79Å; Y870-N2123 PolarHBondContact OH-ND2 2.79Å; Y870-N2123 VanDerWaalsContact OH-ND2 3.07Å; Y870-N2123 PolarHBondContact OH-OD1 2.84Å
871	K	26	Very low	25	Very low	138 Å²	138	120.9 Å²	120.9	60%	0.6	64%	0.639	S	S	*	*			trans	79.9	142	160.4	-85.3	144.7	-179.2	160.3	0	119.4	N2123	K871-N2123 VanDerWaalsContact CE-OD1 3.23Å; K871-N2123 WeakPolarHBondContact CE-OD1 3.27Å; K871-N2123 PolarHBondContact NZ-OD1 2.84Å
872	N	26.5	Very low	25.1	Very low	148 Å²	148	125.8 Å²	125.8	79%	0.791	66%	0.656	S	S	*	*			trans	-141.2	121.5	-163.7	177.9	5.1	0	0	0	108.4
873	T	26.4	Very low	25.3	Very low	130 Å²	130	126.5 Å²	126.5	80%	0.798	67%	0.674	S	S	*	*			trans	-153.5	142.9	174.8	44.6	0	0	0	0	111.2
874	R	22.9	Very low	25.2	Very low	190 Å²	190	125.3 Å²	125.3	72%	0.717	68%	0.682	S	S	*	*			cis	177.4	120.5	-28.2	-120.2	-173.9	-177.9	-155	5.3	107.9
875	Y	23.4	Very low	25.6	Very low	191 Å²	191	124.7 Å²	124.7	75%	0.749	68%	0.683	S	S	*	*			trans	62	159.9	167.7	-50.7	-65.8	0	0	0	115.9
876	S	22.8	Very low	25.6	Very low	101 Å²	101	124.9 Å²	124.9	71%	0.706	68%	0.684	S	S	*	*			cis	-139	153.2	10	-155	0	0	0	0	107.9
877	L	22.9	Very low	25.4	Very low	127 Å²	127	126.5 Å²	126.5	67%	0.665	70%	0.7	S	S	*	*				54.9	126.7	52.5	-61.5	175.6	0	0	0	112.2
878	D	22.9	Very low	25.6	Very low	130 Å²	130	126.8 Å²	126.8	70%	0.695	71%	0.708	S	S	*	*			cis	-134.5	169.2	19.5	-81.4	-48.9	0	0	0	111.8
879	L	24.4	Very low	25.8	Very low	140 Å²	140	128 Å²	128	73%	0.733	72%	0.72	S	S	*	*			cis	96.7	150.2	34.8	-119.8	179.3	0	0	0	114.2
880	N	23.9	Very low	26.1	Very low	142 Å²	142	133.4 Å²	133.4	76%	0.759	73%	0.727	S	S	*	*			trans	78.1	147.3	-168.2	-49.4	-41.4	0	0	0	114.2
881	D	30.6	Very low	26.2	Very low	162 Å²	162	134.3 Å²	134.3	87%	0.866	74%	0.741	S	S	*	*			cis	-120.1	176.1	25.1	-125.6	-32.9	0	0	0	116.7
882	L	23.4	Very low	26.2	Very low	163 Å²	163	137.4 Å²	137.4	85%	0.853	76%	0.755	S	S	*	*			trans	-115.6	-178.9	-163.5	-149.5	72.5	0	0	0	114.7
883	A	29.8	Very low	26.2	Very low	98 Å²	98	136.1 Å²	136.1	81%	0.81	75%	0.752	S	S	*	*			trans	93.7	134	163.2	0	0	0	0	0	119.9
884	A	26	Very low	26.1	Very low	93 Å²	93	137.7 Å²	137.7	77%	0.769	75%	0.752	S	S	*	*			trans	-107.1	-178.5	165.8	0	0	0	0	0	108.1
885	P	30.3	Very low	26.2	Very low	96 Å²	96	137.9 Å²	137.9	62%	0.623	76%	0.758	S	S	*	*			cis	-150.3	-169.2	36.9	44.5	-23.3	0	0	0	116.8
886	Q	25.6	Very low	26.3	Very low	171 Å²	171	133 Å²	133	80%	0.799	76%	0.757	S	S	*	*			trans	67.3	146.8	152.7	-78.7	171.6	49.6	0	0	118.6
887	T	24.6	Very low	26.4	Very low	115 Å²	115	133 Å²	133	71%	0.706	75%	0.753	S	S	*	*			cis	-161	171.2	-26.3	4	0	0	0	0	109
888	V	31.9	Very low	26.6	Very low	146 Å²	146	129.3 Å²	129.3	89%	0.885	74%	0.741	S	S	*	*			trans	74.1	128.7	172	-163.9	0	0	0	0	115.5
889	G	28.8	Very low	26.6	Very low	56 Å²	56	130.5 Å²	130.5	58%	0.577	74%	0.737	S	S	*	*			cis	156.6	131.3	-16.7	0	0	0	0	0	116
890	H	28.9	Very low	26.6	Very low	182 Å²	182	125.9 Å²	125.9	84%	0.843	72%	0.715	S	S	*	*			trans	68	156.2	155.3	-73.2	-78.3	0	0	0	118.5
891	V	28.9	Very low	27.4	Very low	101 Å²	101	124.5 Å²	124.5	61%	0.612	71%	0.707	S	S	*	*			cis	-135.5	141.8	1.1	-168.4	0	0	0	0	109.8
892	F	25.8	Very low	27.3	Very low	204 Å²	204	119.5 Å²	119.5	90%	0.895	68%	0.68	S	S	*	*	S	Bend		-152.8	79.6	128.7	-106.9	-65.8	0	0	0	110.6	M894	F892-M894 PolarHBondContact O-N 2.91Å
893	V	26.6	Very low	27.8	Very low	121 Å²	121	115.7 Å²	115.7	73%	0.733	66%	0.658	S	S	*	*			trans	37.1	71.5	170.9	-161.6	0	0	0	0	116.5
894	M	23.4	Very low	27.5	Very low	163 Å²	163	118.4 Å²	118.4	80%	0.803	65%	0.648	S	S	*	*			trans	-64	143.2	144.1	-62.4	-174.8	-160.6	0	0	109.6	F892	F892-M894 PolarHBondContact O-N 2.91Å
895	K	24.2	Very low	27.4	Very low	194 Å²	194	119.7 Å²	119.7	84%	0.843	64%	0.642	S	S	*	*			trans	-138.3	37	141.4	-146.4	162.8	-170	167.1	0	113.8
896	A	26.3	Very low	27	Very low	87 Å²	87	119.7 Å²	119.7	72%	0.719	63%	0.632	S	S	*	*			trans	-63.2	132.8	156	0	0	0	0	0	109.2
897	T	25	Very low	26.8	Very low	101 Å²	101	115 Å²	115	62%	0.62	62%	0.618	S	S	*	*			trans	-147.7	146.5	169.7	45.9	0	0	0	0	109.4
898	A	27.3	Very low	26.7	Very low	50 Å²	50	113.5 Å²	113.5	41%	0.413	61%	0.612	S	S	.	*			trans	68.9	71.8	178.1	0	0	0	0	0	116.8	R1384 K1386	A898-R1384 HydrophobicContact CB-CG 4.45Å; A898-K1386 PolarHBondContact O-NZ 2.64Å
899	Y	23.4	Very low	27.2	Very low	155 Å²	155	111.4 Å²	111.4	61%	0.608	60%	0.596	S	S	*	*			trans	-21.9	169.7	136.7	-111	-124.2	0	0	0	117.2	I901 K1386	Y899-I901 HydrophobicContact CE1-CB 4.24Å; Y899-K1386 VanDerWaalsContact C-NZ 3.31Å; Y899-K1386 WeakPolarHBondContact O-CB 3.34Å; Y899-K1386 WeakPolarHBondContact O-CD 3.44Å; Y899-K1386 WeakPolarHBondContact O-CE 3.29Å; Y899-K1386 PolarHBondContact O-NZ 3.47Å
900	P	24.5	Very low	27.3	Very low	43 Å²	43	114.8 Å²	114.8	28%	0.279	61%	0.608	S	S	.	*			cis	-109.4	166.7	39.2	42.1	-27.3	0	0	0	110.9	D902 K1386 T1387	P900-D902 HydrophobicContact CB-CB 4.43Å; P900-D902 WeakPolarHBondContact CB-OD1 3.22Å; P900-D902 WeakPolarHBondContact CB-OD2 3.34Å; P900-K1386 HydrophobicContact CB-CB 4.01Å; P900-K1386 VanDerWaalsContact CD-CG 3.47Å; P900-K1386 HydrophobicContact CG-CB 3.67Å; P900-K1386 HydrophobicContact CG-CG 3.97Å; P900-T1387 HydrophobicContact CB-CG2 4.16Å
901	I	40.5	Very low	27.4	Very low	114 Å²	114	109.8 Å²	109.8	59%	0.585	59%	0.592	S	S	*	*				-114.8	131	114.3	-62.1	173.3	0	0	0	104.1	Y899	Y899-I901 HydrophobicContact CE1-CB 4.24Å
902	D	28.7	Very low	28.1	Very low	56 Å²	56	111.2 Å²	111.2	30%	0.299	60%	0.601	S	S	.	*			trans	-115.1	119.1	170.2	-55.9	-39.1	0	0	0	103.1	P900 T1387	P900-D902 HydrophobicContact CB-CB 4.43Å; P900-D902 WeakPolarHBondContact CB-OD1 3.22Å; P900-D902 WeakPolarHBondContact CB-OD2 3.34Å; D902-T1387 VanDerWaalsContact OD1-CA 3.23Å; D902-T1387 WeakPolarHBondContact OD1-CA 3.4Å; D902-T1387 VanDerWaalsContact OD2-CA 3.3Å; D902-T1387 WeakPolarHBondContact OD2-CA 3.37Å; D902-T1387 PolarHBondContact OD2-N 3.44Å
903	E	32.5	Very low	28.5	Very low	83 Å²	83	107.5 Å²	107.5	39%	0.388	59%	0.59	S	S	.	*				63	126.6	74	-68.6	-169.4	-164.2	0	0	111.4	S1389	E903-S1389 WeakPolarHBondContact OE2-CB 3.4Å; E903-S1389 PolarHBondContact OE2-OG 2.78Å
904	Y	24.8	Very low	28.6	Very low	156 Å²	156	105.4 Å²	105.4	61%	0.612	58%	0.581	S	S	*	*			trans	-108.3	-134.3	-136.5	-37.8	109	0	0	0	113.9	S1390 V1391	Y904-S1390 CarbonylContact C-O 3.55Å; Y904-S1390 VanDerWaalsContact C-O 3.27Å; Y904-S1390 PolarHBondContact N-OG 3.29Å; Y904-S1390 CarbonylContact O-C 3.56Å; Y904-V1391 HydrophobicContact CD1-CB 4.14Å; Y904-V1391 HydrophobicContact CD1-CG2 4.13Å; Y904-V1391 HydrophobicContact CG-CG2 4.47Å
905	N	23.2	Very low	29.2	Very low	120 Å²	120	103.6 Å²	103.6	64%	0.642	57%	0.574	S	S	*	*			trans	-161.2	-167.3	-179.6	-132.5	-110.4	0	0	0	115.2	S1390 V1391 E1392	N905-S1390 WeakPolarHBondContact CA-O 3.08Å; N905-V1391 WeakPolarHBondContact O-CG2 3.36Å; N905-E1392 PolarHBondContact O-N 3.3Å
906	F	22.2	Very low	29.9	Very low	96 Å²	96	97.7 Å²	97.7	42%	0.421	55%	0.551	S	S	.	*			trans	-110.8	167.3	-173.6	-102.5	-117.3	0	0	0	113.5	S908 E1392 H1393	F906-S908 VanDerWaalsContact CB-O 3.27Å; F906-S908 WeakPolarHBondContact CB-O 3.49Å; F906-E1392 VanDerWaalsContact CD2-N 3.33Å; F906-E1392 VanDerWaalsContact CE2-O 3.22Å; F906-E1392 WeakPolarHBondContact CE2-O 3.22Å; F906-E1392 VanDerWaalsContact CZ-O 3.29Å; F906-E1392 WeakPolarHBondContact CZ-O 3.3Å; F906-H1393 VanDerWaalsContact CE1-C 3.49Å; F906-H1393 VanDerWaalsContact CE1-N 3.26Å; F906-H1393 VanDerWaalsContact CZ-C 3.44Å; F906-H1393 VanDerWaalsContact CZ-O 3.31Å; F906-H1393 WeakPolarHBondContact CZ-O 3.38Å
907	S	21.7	Very low	30.4	Very low	72 Å²	72	97 Å²	97	50%	0.503	54%	0.536	S	S	.	.	S	Bend	trans	-74.1	127.7	146.6	171.1	0	0	0	0	109
908	S	22.2	Very low	30.5	Very low	83 Å²	83	94.2 Å²	94.2	58%	0.58	52%	0.517	S	S	*	.			trans	64.3	137.2	-169.2	65.2	0	0	0	0	113	F906	F906-S908 VanDerWaalsContact CB-O 3.27Å; F906-S908 WeakPolarHBondContact CB-O 3.49Å
909	N	41.4	Very low	30.4	Very low	102 Å²	102	97.6 Å²	97.6	55%	0.545	52%	0.522	S	S	.	.				46	127.3	68.5	-70.5	-13.2	0	0	0	111.6	P911	N909-P911 HydrophobicContact CB-CB 4.44Å
910	P	32.9	Very low	31	Very low	127 Å²	127	93 Å²	93	83%	0.825	51%	0.513	S	S	*	.				-91.8	164	74.7	24.5	-34.3	0	0	0	114.6
911	P	31	Very low	31.5	Very low	77 Å²	77	92.7 Å²	92.7	50%	0.5	51%	0.509	S	S	.	.			trans	-117.1	-123	-143.4	40.8	-27.9	0	0	0	112.4	N909	N909-P911 HydrophobicContact CB-CB 4.44Å
912	V	42.1	Very low	30.5	Very low	132 Å²	132	88.1 Å²	88.1	80%	0.8	49%	0.485	S	S	*	.	S	Bend	trans	63.8	69.7	178.4	-161.8	0	0	0	0	115.9
913	D	34.9	Very low	30.2	Very low	126 Å²	126	86.5 Å²	86.5	67%	0.674	48%	0.478	S	S	*	.			cis	-148.6	148.2	-15.3	-125.9	-45.1	0	0	0	115.2
914	S	29.5	Very low	29.8	Very low	76 Å²	76	84 Å²	84	53%	0.531	47%	0.467	S	S	.	.			trans	-60.9	141.3	-178.9	61.7	0	0	0	0	112
915	L	35.5	Very low	29.8	Very low	126 Å²	126	79.1 Å²	79.1	66%	0.66	45%	0.449	S	S	*	.			trans	-164.1	130.4	141.9	-112.2	163.3	0	0	0	109.8
916	N	38.2	Very low	30	Very low	69 Å²	69	74.8 Å²	74.8	37%	0.369	43%	0.428	S	S	.	.			trans	65.3	153.4	162.5	-71.5	2	0	0	0	116.8	F2272	N916-F2272 HydrophobicContact CB-CD1 4.06Å; N916-F2272 HydrophobicContact CB-CE1 3.4Å; N916-F2272 HydrophobicContact CB-CE2 3.91Å; N916-F2272 HydrophobicContact CB-CZ 3.34Å; N916-F2272 WeakPolarHBondContact ND2-CD1 3.35Å; N916-F2272 WeakPolarHBondContact ND2-CD2 3.45Å; N916-F2272 WeakPolarHBondContact ND2-CE1 3.45Å; N916-F2272 WeakPolarHBondContact ND2-CE2 3.26Å; N916-F2272 WeakPolarHBondContact ND2-CG 3.4Å
917	N	36.6	Very low	29.9	Very low	74 Å²	74	74.3 Å²	74.3	40%	0.396	44%	0.437	S	S	.	.			cis	-164.2	154.1	-20.7	-114.7	15.8	0	0	0	107.4
918	N	27.9	Very low	29.9	Very low	41 Å²	41	75.6 Å²	75.6	22%	0.219	44%	0.442	C	S	.	.				38	101.3	119	-39.6	23.7	0	0	0	113.9	I922 D2012	N918-I922 HydrophobicContact CB-CD1 3.42Å; N918-I922 VanDerWaalsContact CB-CD1 3.42Å; N918-I922 WeakPolarHBondContact ND2-CD1 3.49Å; N918-D2012 WeakPolarHBondContact CA-OD2 3.31Å; N918-D2012 HydrophobicContact CB-CB 3.61Å; N918-D2012 VanDerWaalsContact CB-OD2 3.3Å; N918-D2012 WeakPolarHBondContact CB-OD2 3.01Å; N918-D2012 VanDerWaalsContact ND2-CB 3.26Å; N918-D2012 WeakPolarHBondContact ND2-CB 3.35Å; N918-D2012 PolarHBondContact ND2-OD1 3.08Å; N918-D2012 PolarHBondContact ND2-OD2 3.33Å; N918-D2012 PolarHBondContact OD1-OD2 3.44Å; N918-D2012 VanDerWaalsContact OD1-OD2 3.06Å
919	F	24.4	Very low	29.8	Very low	122 Å²	122	76.9 Å²	76.9	54%	0.535	45%	0.446	S	S	.	.	S	Bend		67.1	150.5	92.4	-70.3	-151	0	0	0	113	D2012	F919-D2012 HydrophobicContact CB-CB 3.98Å; F919-D2012 HydrophobicContact CD1-CB 3.45Å; F919-D2012 VanDerWaalsContact CD1-CB 3.45Å; F919-D2012 HydrophobicContact CD2-CB 4.33Å; F919-D2012 WeakPolarHBondContact CD2-OD2 3.44Å; F919-D2012 HydrophobicContact CE1-CB 3.82Å; F919-D2012 VanDerWaalsContact CE2-OD2 3.3Å; F919-D2012 WeakPolarHBondContact CE2-OD2 2.96Å; F919-D2012 HydrophobicContact CG-CB 3.71Å; F919-D2012 HydrophobicContact CZ-CB 4.37Å
920	S	36.3	Very low	29	Very low	58 Å²	58	77.6 Å²	77.6	41%	0.406	45%	0.454	S	S	.	.	S	Bend		6.7	142.6	111.2	-14	0	0	0	0	118.8	K2009 N2010	S920-K2009 WeakPolarHBondContact CB-O 3.3Å; S920-K2009 PolarHBondContact OG-O 2.76Å; S920-N2010 CarbonylContact C-O 3.58Å; S920-N2010 WeakPolarHBondContact CB-O 3.23Å
921	L	35.1	Very low	28.5	Very low	37 Å²	37	75.4 Å²	75.4	19%	0.194	44%	0.442	C	S	.	.			trans	50.1	168.7	-160.3	-63.4	175.6	0	0	0	115.2	N2010 T2011 I2277	L921-N2010 WeakPolarHBondContact CB-O 3.48Å; L921-N2010 HydrophobicContact CD1-CB 4.1Å; L921-N2010 WeakPolarHBondContact CD1-O 3.29Å; L921-N2010 HydrophobicContact CD2-CB 3.92Å; L921-N2010 HydrophobicContact CG-CB 3.59Å; L921-N2010 WeakPolarHBondContact CG-O 3.3Å; L921-N2010 PolarHBondContact N-O 3.02Å; L921-N2010 PolarHBondContact N-OD1 3Å; L921-T2011 HydrophobicContact CD1-CG2 4.13Å; L921-I2277 HydrophobicContact CD2-CD1 3.59Å
922	I	20.7	Very low	28.1	Very low	17 Å²	17	76.3 Å²	76.3	9%	0.087	45%	0.447	C	S	.	.	B	Isolated β-bridge		-166	91.7	103.4	-101	176.6	0	0	0	108.8	N918 L924 R2275	N918-I922 HydrophobicContact CB-CD1 3.42Å; N918-I922 VanDerWaalsContact CB-CD1 3.42Å; N918-I922 WeakPolarHBondContact ND2-CD1 3.49Å; I922-L924 HydrophobicContact CG2-CB 3.88Å; I922-L924 HydrophobicContact CG2-CD1 3.43Å; I922-L924 VanDerWaalsContact CG2-CD1 3.43Å; I922-L924 HydrophobicContact CG2-CG 3.57Å; I922-L924 WeakPolarHBondContact O-CB 3.11Å; I922-L924 PolarHBondContact O-N 3.02Å; I922-R2275 CarbonylContact C-O 3.31Å; I922-R2275 VanDerWaalsContact C-O 3.32Å; I922-R2275 CarbonylContact O-C 3.57Å; I922-R2275 WeakPolarHBondContact O-CA 3.45Å; I922-R2275 WeakPolarHBondContact O-CB 3.13Å; I922-R2275 PolarHBondContact O-N 2.97Å; I922-R2275 VanDerWaalsContact O-O 3.1Å
923	S	20.6	Very low	27.2	Very low	22 Å²	22	75.5 Å²	75.5	15%	0.154	44%	0.442	C	S	.	.			trans	43	-110.8	136.7	-53.4	0	0	0	0	114	Y2179 R2275 R2276	S923-Y2179 PolarHBondContact OG-OH 2.73Å; S923-R2275 CarbonylContact O-C 3.55Å; S923-R2276 WeakPolarHBondContact O-CA 3.29Å; S923-R2276 WeakPolarHBondContact O-CG 3.25Å; S923-R2276 PolarHBondContact O-N 2.72Å; S923-R2276 VanDerWaalsContact O-N 3.11Å
924	L	24.1	Very low	26.7	Very low	31 Å²	31	74.7 Å²	74.7	16%	0.162	44%	0.442	C	S	.	.			trans	26.4	92.8	151.1	-57.3	-167.3	0	0	0	121.3	I922 S2273 R2275 R2276	I922-L924 HydrophobicContact CG2-CB 3.88Å; I922-L924 HydrophobicContact CG2-CD1 3.43Å; I922-L924 VanDerWaalsContact CG2-CD1 3.43Å; I922-L924 HydrophobicContact CG2-CG 3.57Å; I922-L924 WeakPolarHBondContact O-CB 3.11Å; I922-L924 PolarHBondContact O-N 3.02Å; L924-S2273 WeakPolarHBondContact CD1-O 3.47Å; L924-R2275 PolarHBondContact O-N 2.82Å; L924-R2276 PolarHBondContact O-N 2.89Å
925	K	25.9	Very low	26.5	Very low	53 Å²	53	75.5 Å²	75.5	23%	0.23	44%	0.444	C	S	.	.				94.5	113	112.2	-51.7	-134.9	148.9	136.6	0	116.1	W2180 N2183 D2184	K925-W2180 HydrophobicContact CB-CZ2 3.67Å; K925-W2180 HydrophobicContact CD-CH2 3.82Å; K925-W2180 HydrophobicContact CD-CZ2 3.24Å; K925-W2180 HydrophobicContact CG-CH2 4.36Å; K925-W2180 HydrophobicContact CG-CZ2 3.32Å; K925-N2183 PolarHBondContact NZ-O 3.38Å; K925-N2183 VanDerWaalsContact NZ-O 3.17Å; K925-D2184 IonicContact NZ-OD1 2.77Å; K925-D2184 PolarHBondContact NZ-OD1 2.77Å; K925-D2184 IonicContact NZ-OD2 3.15Å
926	C	26.4	Very low	26.1	Very low	30 Å²	30	72.9 Å²	72.9	20%	0.203	43%	0.433	C	S	.	.				37.6	125.2	128.8	-66	0	0	0	0	117.2	W2180 R2274	C926-W2180 HydrophobicContact CB-CZ2 4.1Å; C926-W2180 WeakPolarHBondContact SG-CZ2 3.31Å; C926-R2274 PolarHBondContact O-NH1 3.25Å
927	S	20.9	Very low	25.6	Very low	86 Å²	86	71.6 Å²	71.6	60%	0.601	43%	0.429	S	S	*	.				48.3	150.8	63.1	-54.4	0	0	0	0	112.4
928	T	21	Very low	25.4	Very low	99 Å²	99	72 Å²	72	61%	0.607	45%	0.451	S	S	*	.			trans	58	110.9	173.6	40.2	0	0	0	0	114.3
929	T	21.1	Very low	25.5	Very low	109 Å²	109	72.9 Å²	72.9	67%	0.669	46%	0.464	S	S	*	.				43.2	124.9	93.8	68	0	0	0	0	112.9
930	T	24.7	Very low	25.6	Very low	117 Å²	117	71.7 Å²	71.7	72%	0.718	47%	0.469	S	S	*	.			cis	-124.2	125.3	36.9	46.3	0	0	0	0	112
931	S	22	Very low	25.3	Very low	82 Å²	82	73.9 Å²	73.9	57%	0.573	48%	0.483	S	S	*	.				66.2	-179.1	56.7	82.5	0	0	0	0	113.2
932	T	23	Very low	25	Very low	96 Å²	96	76.5 Å²	76.5	59%	0.589	51%	0.51	S	S	*	.			trans	54.4	71.9	158.9	42.5	0	0	0	0	114.3
933	T	23	Very low	25.5	Very low	114 Å²	114	84.2 Å²	84.2	70%	0.699	54%	0.543	S	S	*	.				80.3	178.4	86.9	58.6	0	0	0	0	112.3
934	T	25	Very low	26	Very low	110 Å²	110	89.3 Å²	89.3	68%	0.675	57%	0.568	S	S	*	*			trans	57.7	121.3	143.6	46.4	0	0	0	0	119.4
935	T	24.7	Very low	26.2	Very low	93 Å²	93	93.2 Å²	93.2	57%	0.571	59%	0.588	S	S	*	*			cis	174.4	155.5	-9.6	15.2	0	0	0	0	107	L491	L491-T935 HydrophobicContact CD1-CG2 3.65Å
936	V	27.1	Very low	26.3	Very low	71 Å²	71	96.2 Å²	96.2	43%	0.43	61%	0.607	S	S	.	*			trans	76.2	152.2	141.4	177	0	0	0	0	109.9	D489 L491	D489-V936 HydrophobicContact CB-CB 3.77Å; D489-V936 HydrophobicContact CB-CG1 3.01Å; D489-V936 VanDerWaalsContact OD2-CG1 3.26Å; D489-V936 WeakPolarHBondContact OD2-CG1 3.29Å; L491-V936 HydrophobicContact CB-CG2 3.99Å; L491-V936 HydrophobicContact CD1-CG2 3.65Å; L491-V936 HydrophobicContact CG-CG2 3.59Å
937	S	27.6	Very low	26.4	Very low	41 Å²	41	101.7 Å²	101.7	29%	0.287	63%	0.629	S	S	.	*			trans	-143.6	177.4	-144.1	77.8	0	0	0	0	122	D489 T490	D489-S937 WeakPolarHBondContact CA-O 3.41Å; D489-S937 VanDerWaalsContact CG-O 3.28Å; D489-S937 PolarHBondContact N-O 3.23Å; D489-S937 VanDerWaalsContact N-O 3.13Å; D489-S937 PolarHBondContact OD2-N 3.29Å; D489-S937 VanDerWaalsContact OD2-N 3.09Å; T490-S937 PolarHBondContact N-OG 2.78Å; T490-S937 VanDerWaalsContact O-CB 3.24Å; T490-S937 WeakPolarHBondContact O-CB 3.48Å; T490-S937 PolarHBondContact O-OG 3.27Å; T490-S937 PolarHBondContact OG1-OG 3.49Å
938	G	31.4	Very low	26.8	Very low	83 Å²	83	102.7 Å²	102.7	86%	0.856	63%	0.627	S	S	*	*			trans	-87.4	115.5	167.7	0	0	0	0	0	114.7
939	A	30.1	Very low	27.1	Very low	59 Å²	59	104.9 Å²	104.9	49%	0.488	63%	0.631	S	S	.	*			trans	-129.8	172.4	163.1	0	0	0	0	0	108.2
940	C	28.1	Very low	27.6	Very low	97 Å²	97	107.2 Å²	107.2	66%	0.655	63%	0.632	S	S	*	*			cis	-167.2	171.9	-7.2	-132.2	0	0	0	0	107.2
941	C	28.5	Very low	28	Very low	104 Å²	104	109 Å²	109	70%	0.703	64%	0.636	S	S	*	*			cis	-175	172.7	-21.3	-85.6	0	0	0	0	108.5
942	A	28.4	Very low	28.5	Very low	92 Å²	92	112.3 Å²	112.3	76%	0.76	64%	0.64	S	S	*	*			trans	73	165.7	171.3	0	0	0	0	0	115.3
943	K	32.9	Very low	28.8	Very low	179 Å²	179	115.3 Å²	115.3	78%	0.778	65%	0.645	S	S	*	*			cis	-138.2	142.5	23.9	-85.1	-167.9	160.7	-165.2	0	112.9
944	L	29.4	Very low	29.1	Very low	130 Å²	130	115.2 Å²	115.2	68%	0.681	64%	0.64	S	S	*	*				67.3	149.1	92.5	-50.6	179.5	0	0	0	114
945	I	29.6	Very low	29.4	Very low	113 Å²	113	115.7 Å²	115.7	58%	0.579	64%	0.643	S	S	*	*			cis	-164.2	152	2.2	-125.7	169.8	0	0	0	112.5
946	N	26.8	Very low	29.7	Very low	116 Å²	116	114.7 Å²	114.7	62%	0.62	64%	0.64	S	S	*	*			trans	35.1	-166.7	150.6	-43.3	-17.4	0	0	0	120.1
947	H	29.4	Very low	29.8	Very low	145 Å²	145	121.3 Å²	121.3	67%	0.671	66%	0.659	S	S	*	*			cis	-157.7	159.1	10.3	-102.9	-49.3	0	0	0	107.4
948	D	28.4	Very low	29.7	Very low	106 Å²	106	126.8 Å²	126.8	57%	0.567	68%	0.68	S	S	*	*			cis	-166.8	173.6	-12.4	-136.4	41	0	0	0	111.3
949	Q	27.3	Very low	29.4	Very low	145 Å²	145	127.8 Å²	127.8	68%	0.678	67%	0.666	S	S	*	*			trans	57.2	134.7	151.4	-67.7	157.4	46.8	0	0	122.6
950	F	31.6	Very low	29.3	Very low	159 Å²	159	130.7 Å²	130.7	70%	0.697	67%	0.673	S	S	*	*				-169.4	172.4	93.6	-121.9	-95.9	0	0	0	113.6
951	L	33.6	Very low	29.1	Very low	153 Å²	153	133.7 Å²	133.7	80%	0.801	68%	0.677	S	S	*	*			trans	66.2	99.3	-174.8	-66.9	160	0	0	0	113.7
952	K	33.5	Very low	28.9	Very low	152 Å²	152	135.4 Å²	135.4	66%	0.661	68%	0.678	S	S	*	*				85.5	122.8	50.3	-74.7	-176.3	167.3	174.3	0	114.4
953	K	29.3	Very low	28.8	Very low	159 Å²	159	135.8 Å²	135.8	69%	0.691	68%	0.675	S	S	*	*			trans	66.3	136.8	134.6	-67.3	-170.9	137.8	-67.5	0	117.8
954	D	29.3	Very low	28.5	Very low	112 Å²	112	135.2 Å²	135.2	60%	0.599	68%	0.675	S	S	*	*			cis	-144.9	179.1	-5.1	-88.5	-40.5	0	0	0	106.4
955	T	31.1	Very low	28.3	Very low	120 Å²	120	134.2 Å²	134.2	74%	0.736	68%	0.675	S	S	*	*			cis	-151.4	-173.7	16.9	-23.4	0	0	0	0	110.9
956	S	29.7	Very low	28	Very low	73 Å²	73	135.3 Å²	135.3	51%	0.51	68%	0.68	S	S	.	*			trans	-39	160.9	152.8	59.9	0	0	0	0	115.9
957	Y	30.7	Very low	28.3	Very low	210 Å²	210	135.4 Å²	135.4	82%	0.824	69%	0.685	S	S	*	*			cis	-152.4	135.6	30	-97.6	-63.7	0	0	0	106.8
958	Q	24.1	Very low	28.1	Very low	155 Å²	155	134.1 Å²	134.1	72%	0.724	69%	0.688	S	S	*	*				46.9	129.2	60	-73.3	-160.2	-94.8	0	0	113.3
959	D	26.6	Very low	27.8	Very low	105 Å²	105	134.5 Å²	134.5	56%	0.561	69%	0.694	S	S	*	*			cis	-166	174.2	21.5	-132.7	18.9	0	0	0	110.4
960	N	26.7	Very low	27.7	Very low	119 Å²	119	131.6 Å²	131.6	64%	0.636	69%	0.69	S	S	*	*			trans	57.4	114.4	147.4	-63.1	-31.2	0	0	0	120
961	H	24.3	Very low	27.6	Very low	160 Å²	160	130.1 Å²	130.1	74%	0.741	69%	0.694	S	S	*	*				90.7	138.6	71.2	-110.7	-85.7	0	0	0	113.1
962	I	25.2	Very low	27.6	Very low	140 Å²	140	129.1 Å²	129.1	72%	0.718	69%	0.688	S	S	*	*			trans	71.8	123.1	163.4	-58.5	163.3	0	0	0	111.2
963	S	24.9	Very low	27.1	Very low	100 Å²	100	127.7 Å²	127.7	70%	0.699	69%	0.687	S	S	*	*				46	137	96.5	-26.7	0	0	0	0	113.9
964	E	26.6	Very low	27.5	Very low	167 Å²	167	126.5 Å²	126.5	78%	0.78	69%	0.689	S	S	*	*			cis	-161.2	153.3	7.7	-147.3	172.1	-157.3	0	0	111.4
965	T	25.2	Very low	27.2	Very low	109 Å²	109	124.6 Å²	124.6	67%	0.669	69%	0.688	S	S	*	*			trans	63	-173.4	161.9	-17.6	0	0	0	0	115.5
966	I	23.4	Very low	27	Very low	136 Å²	136	124.6 Å²	124.6	70%	0.697	69%	0.692	S	S	*	*			trans	52.8	79.8	156.6	-62.5	158.9	0	0	0	111.5
967	T	32.8	Very low	26.8	Very low	119 Å²	119	129.4 Å²	129.4	73%	0.73	70%	0.704	S	S	*	*				53.2	152.5	54.9	-35.8	0	0	0	0	111.2
968	T	25.2	Very low	26.6	Very low	118 Å²	118	126.3 Å²	126.3	72%	0.724	70%	0.696	S	S	*	*			trans	66.6	157	-160.5	98.3	0	0	0	0	111.6
969	T	23.8	Very low	26.9	Very low	114 Å²	114	128.4 Å²	128.4	70%	0.699	70%	0.703	S	S	*	*			cis	-124.3	145.5	1.9	-30.6	0	0	0	0	109.8
970	S	23.3	Very low	26.9	Very low	84 Å²	84	126.8 Å²	126.8	59%	0.587	70%	0.7	S	S	*	*			trans	30.7	128.2	145.3	63.3	0	0	0	0	117.9
971	T	29.6	Very low	26.7	Very low	127 Å²	127	127.1 Å²	127.1	78%	0.779	70%	0.702	S	S	*	*	S	Bend		-152.8	147	55.9	36.1	0	0	0	0	111.8
972	I	33.8	Very low	26.7	Very low	132 Å²	132	125.4 Å²	125.4	68%	0.677	70%	0.698	S	S	*	*			cis	-149.6	171.3	-15.2	-141.2	167.2	0	0	0	109
973	N	23.6	Very low	26.6	Very low	122 Å²	122	125.2 Å²	125.2	65%	0.652	70%	0.699	S	S	*	*			trans	-33.9	166.4	151.4	-43.7	-20.5	0	0	0	112.9
974	D	36.9	Very low	26.6	Very low	135 Å²	135	126.6 Å²	126.6	72%	0.722	70%	0.703	S	S	*	*			cis	-128.2	137.9	14.4	-82.6	-74.2	0	0	0	107.7
975	A	24.5	Very low	26.3	Very low	71 Å²	71	123.4 Å²	123.4	59%	0.587	70%	0.699	S	S	*	*				49.7	116.9	79.9	0	0	0	0	0	111.3	K977	A975-K977 PolarHBondContact O-N 2.67Å
976	C	26.5	Very low	26.2	Very low	120 Å²	120	127.2 Å²	127.2	81%	0.811	71%	0.706	S	S	*	*				38.7	72.4	79.9	-67.3	0	0	0	0	112.4
977	K	25.5	Very low	26.5	Very low	174 Å²	174	125.5 Å²	125.5	76%	0.757	70%	0.704	S	S	*	*				-175.8	160.6	100.1	-96.3	159.3	-176.5	175.3	0	115.4	A975	A975-K977 PolarHBondContact O-N 2.67Å
978	H	26.1	Very low	26	Very low	145 Å²	145	126.8 Å²	126.8	67%	0.671	70%	0.704	S	S	*	*			trans	24.4	94	150	-48.4	-58.1	0	0	0	118
979	K	31	Very low	25.9	Very low	199 Å²	199	128.1 Å²	128.1	87%	0.865	70%	0.702	S	S	*	*	S	Bend		-118.4	99	95.2	-93	173	-176.2	172.3	0	107.8
980	S	26.3	Very low	25.8	Very low	72 Å²	72	127.4 Å²	127.4	50%	0.503	70%	0.697	S	S	.	*				80.1	93.8	86.4	70.2	0	0	0	0	108.4
981	N	23.4	Very low	25.8	Very low	125 Å²	125	129.8 Å²	129.8	67%	0.668	70%	0.702	S	S	*	*				102.5	148	80	-86	4.3	0	0	0	107.4
982	N	22.9	Very low	25.5	Very low	125 Å²	125	129.5 Å²	129.5	67%	0.668	70%	0.695	S	S	*	*			trans	24.2	114.8	132	-37	-7.6	0	0	0	114
983	N	23.3	Very low	25.1	Very low	135 Å²	135	132.5 Å²	132.5	72%	0.722	70%	0.704	S	S	*	*				-154.6	-165.9	50.2	-73.5	-70	0	0	0	110.7
984	T	24.1	Very low	25.7	Very low	130 Å²	130	132 Å²	132	80%	0.798	71%	0.707	S	S	*	*			trans	59.9	127.6	148.6	43.6	0	0	0	0	117
985	S	21.8	Very low	25.1	Very low	99 Å²	99	134.5 Å²	134.5	69%	0.692	71%	0.712	S	S	*	*			cis	-173	171.8	3.3	36.9	0	0	0	0	105.4
986	K	23.4	Very low	25.1	Very low	189 Å²	189	137.7 Å²	137.7	82%	0.822	72%	0.718	S	S	*	*				32.3	143.4	79.2	-103.5	-178.2	-175.8	179.9	0	113.6
987	P	29.2	Very low	25.2	Very low	101 Å²	101	141.3 Å²	141.3	66%	0.656	71%	0.714	S	S	*	*			cis	-140.2	-166.9	1.4	38.9	-17.9	0	0	0	113.5
988	M	20.9	Very low	25.2	Very low	145 Å²	145	143.8 Å²	143.8	71%	0.714	72%	0.719	S	S	*	*			trans	77.4	131	142.4	-74	-120.2	145	0	0	117.4
989	H	23.2	Very low	25.2	Very low	147 Å²	147	139.9 Å²	139.9	68%	0.681	71%	0.712	S	S	*	*				62	135.1	64.7	-84.7	-112.8	0	0	0	112
990	T	22.8	Very low	25	Very low	99 Å²	99	140.8 Å²	140.8	61%	0.607	71%	0.711	S	S	*	*			cis	-168.4	-166.9	-12.3	13.9	0	0	0	0	105.8
991	I	22.8	Very low	25.1	Very low	134 Å²	134	141.7 Å²	141.7	69%	0.687	72%	0.718	S	S	*	*				87	117.1	128.8	-101.1	165.7	0	0	0	117.6
992	N	24.3	Very low	25.3	Very low	120 Å²	120	142.6 Å²	142.6	64%	0.642	72%	0.722	S	S	*	*			trans	73.7	98.1	138.6	-65.1	-13.8	0	0	0	121.9
993	K	24.5	Very low	25.7	Very low	195 Å²	195	142.7 Å²	142.7	85%	0.848	72%	0.717	S	S	*	*				77.9	163.5	109.5	-82.7	-178.7	175.1	-179.8	0	117.2
994	P	35.8	Very low	26.1	Very low	111 Å²	111	141.7 Å²	141.7	72%	0.721	71%	0.706	S	S	*	*			trans	-99.7	165.9	-143.4	38.1	-37.9	0	0	0	114.2
995	K	25.5	Very low	26.2	Very low	189 Å²	189	141.1 Å²	141.1	82%	0.822	69%	0.694	S	S	*	*			trans	-171.1	127.4	145.3	-102.4	147.6	-174.7	176	0	113.5
996	L	23.8	Very low	26.5	Very low	137 Å²	137	140.3 Å²	140.3	72%	0.717	69%	0.688	S	S	*	*				63.2	138.3	129.9	-67.1	174.4	0	0	0	123.2
997	R	28	Very low	26.6	Very low	196 Å²	196	135.3 Å²	135.3	74%	0.74	68%	0.677	S	S	*	*			trans	85.5	118.2	135.2	-80.2	169.3	179.8	-166.3	1.6	121.6
998	R	27.2	Very low	26.5	Very low	226 Å²	226	133.6 Å²	133.6	85%	0.853	67%	0.667	S	S	*	*				62.9	143.8	120.8	-67.7	-175.4	175.5	-173.4	-2.3	120.3
999	A	25.4	Very low	26.9	Very low	64 Å²	64	131.9 Å²	131.9	53%	0.529	67%	0.666	S	S	.	*			cis	-172.4	163.1	-13.9	0	0	0	0	0	111.9
1000	Y	26.7	Very low	27.3	Very low	217 Å²	217	128.5 Å²	128.5	85%	0.851	66%	0.658	S	S	*	*			trans	67.5	147	160	-56.8	-51.3	0	0	0	116.9
1001	S	28.4	Very low	27.7	Very low	92 Å²	92	132.2 Å²	132.2	64%	0.643	67%	0.666	S	S	*	*			cis	-171.3	158.3	-6.1	-105.4	0	0	0	0	108.9
1002	L	27.7	Very low	28	Very low	143 Å²	143	136.2 Å²	136.2	75%	0.749	67%	0.673	S	S	*	*			cis	-164.5	171.1	-14.5	-125.6	177.3	0	0	0	109.4
1003	K	31.7	Very low	28.2	Very low	128 Å²	128	134.9 Å²	134.9	56%	0.557	67%	0.669	S	S	*	*			trans	70.5	116.2	-178.8	-56.9	-169.6	-179.6	-165.1	0	114.8	S638	S638-K1003 WeakPolarHBondContact OG-CE 3.5Å; S638-K1003 PolarHBondContact OG-NZ 2.88Å; S638-K1003 VanDerWaalsContact OG-NZ 3.14Å
1004	K	30.9	Very low	28.3	Very low	114 Å²	114	132 Å²	132	50%	0.496	66%	0.658	S	S	.	*			cis	91.3	143.4	42	-75.3	-164.5	164.2	-173.4	0	113.2	S638 V639	S638-K1004 WeakPolarHBondContact O-CD 3.47Å; V639-K1004 CarbonylContact O-C 3.55Å; V639-K1004 VanDerWaalsContact O-O 3.07Å
1005	Q	26.7	Very low	28.1	Very low	118 Å²	118	131.6 Å²	131.6	55%	0.551	66%	0.656	S	S	*	*			cis	151.3	136.5	-11.9	-109.5	-177	-25.3	0	0	111.4	V639 I640	V639-Q1005 CarbonylContact C-O 3.48Å; V639-Q1005 CarbonylContact O-C 3.51Å; V639-Q1005 WeakPolarHBondContact O-CA 3.22Å; V639-Q1005 PolarHBondContact O-N 2.67Å; I640-Q1005 VanDerWaalsContact C-C 3.41Å; I640-Q1005 CarbonylContact C-O 3.51Å; I640-Q1005 VanDerWaalsContact C-O 3.26Å; I640-Q1005 PolarHBondContact N-O 2.87Å; I640-Q1005 CarbonylContact O-C 3.12Å; I640-Q1005 VanDerWaalsContact O-O 3.11Å
1006	S	26.7	Very low	28.3	Very low	81 Å²	81	129 Å²	129	57%	0.566	65%	0.646	S	S	*	*			trans	64.2	136.4	152	59.2	0	0	0	0	120.6	I640 I641	I640-S1006 CarbonylContact C-O 3.48Å; I640-S1006 PolarHBondContact O-N 3.15Å; I641-S1006 VanDerWaalsContact N-C 3.33Å; I641-S1006 PolarHBondContact N-O 2.91Å; I641-S1006 CarbonylContact O-C 3.59Å
1007	S	26.7	Very low	28.5	Very low	85 Å²	85	129.8 Å²	129.8	59%	0.594	65%	0.646	S	S	*	*			cis	-169.6	165.9	-3.4	43.2	0	0	0	0	113.5	I641	I641-S1007 PolarHBondContact O-N 3.07Å
1008	S	27.6	Very low	28.6	Very low	64 Å²	64	126 Å²	126	45%	0.448	64%	0.641	S	S	.	*			trans	-86.7	178.7	158.6	59.2	0	0	0	0	112.4	T643	T643-S1008 VanDerWaalsContact C-CB 3.44Å; T643-S1008 VanDerWaalsContact O-CB 3.23Å; T643-S1008 WeakPolarHBondContact O-CB 3.33Å
1009	T	28.9	Very low	28.6	Very low	110 Å²	110	122.1 Å²	122.1	68%	0.675	64%	0.636	S	S	*	*			trans	-140.5	156.2	161.5	76.1	0	0	0	0	107.2
1010	S	30.6	Very low	28.9	Very low	76 Å²	76	127 Å²	127	53%	0.531	65%	0.652	S	S	.	*			cis	-152	161.3	7.8	-89.6	0	0	0	0	107.3
1011	K	32.6	Very low	28.9	Very low	177 Å²	177	122 Å²	122	77%	0.77	64%	0.64	S	S	*	*			cis	-168.7	151.6	-5.6	-110.1	165	-171.2	171.1	0	108.8
1012	R	28.3	Very low	28.9	Very low	218 Å²	218	125 Å²	125	82%	0.823	64%	0.642	S	S	*	*			trans	57.5	141.9	143.4	-72.3	-158.4	106.8	146.9	6.9	121.8
1013	T	28.5	Very low	29	Very low	91 Å²	91	125.2 Å²	125.2	56%	0.558	64%	0.644	S	S	*	*			cis	-171.3	147.7	-28.2	11.2	0	0	0	0	110.9
1014	Q	26.9	Very low	29	Very low	135 Å²	135	122.4 Å²	122.4	63%	0.631	65%	0.651	S	S	*	*			trans	74.2	155	143.3	-66.1	-83.6	-9	0	0	118.8	H1016	Q1014-H1016 PolarHBondContact OE1-CD2 3.32Å; Q1014-H1016 PolarHBondContact OE1-NE2 2.78Å; Q1014-H1016 VanDerWaalsContact OE1-NE2 3.14Å
1015	P	32.2	Very low	28.9	Very low	103 Å²	103	124 Å²	124	67%	0.669	67%	0.665	S	S	*	*			cis	-122.6	157.5	-0.3	24.8	-2.7	0	0	0	118.1
1016	H	28.5	Very low	29	Very low	134 Å²	134	128.9 Å²	128.9	62%	0.62	68%	0.678	S	S	*	*			trans	14	143.8	147.7	-60	-95.4	0	0	0	120.1	Q1014	Q1014-H1016 PolarHBondContact OE1-CD2 3.32Å; Q1014-H1016 PolarHBondContact OE1-NE2 2.78Å; Q1014-H1016 VanDerWaalsContact OE1-NE2 3.14Å
1017	E	29	Very low	29	Very low	154 Å²	154	130.2 Å²	130.2	72%	0.72	68%	0.679	S	S	*	*			cis	-168.4	166.9	0.9	-109.4	169.5	-150.9	0	0	106.8
1018	D	28.6	Very low	29.1	Very low	116 Å²	116	133 Å²	133	62%	0.62	68%	0.683	S	S	*	*			cis	-175.7	177.5	-33.4	-177.6	23.5	0	0	0	107.2
1019	L	27.3	Very low	29.1	Very low	144 Å²	144	135.2 Å²	135.2	75%	0.754	69%	0.69	S	S	*	*			trans	67.2	69.8	162.6	-53.5	-177.6	0	0	0	119.2
1020	L	31.6	Very low	29	Very low	167 Å²	167	136 Å²	136	87%	0.874	69%	0.69	S	S	*	*			trans	-163.1	161.2	135.4	-109.5	173.8	0	0	0	111.1
1021	L	28.5	Very low	28.8	Very low	113 Å²	113	138.2 Å²	138.2	59%	0.592	70%	0.696	S	S	*	*			trans	-147.6	145.3	-176.6	-130	168.2	0	0	0	112.1
1022	F	28.4	Very low	28.5	Very low	154 Å²	154	136 Å²	136	68%	0.675	69%	0.692	S	S	*	*			trans	96.5	131	169.6	-83.2	-77	0	0	0	121.3
1023	N	28.8	Very low	28.4	Very low	148 Å²	148	131.9 Å²	131.9	79%	0.791	69%	0.691	S	S	*	*			trans	76.4	138	161	-61.7	-19.3	0	0	0	118.8
1024	G	32.2	Very low	28.3	Very low	69 Å²	69	134.3 Å²	134.3	71%	0.711	70%	0.701	S	S	*	*			trans	-166.5	-173.9	175.4	0	0	0	0	0	111.1
1025	N	29	Very low	28.4	Very low	148 Å²	148	134.9 Å²	134.9	79%	0.791	71%	0.708	S	S	*	*			trans	-167.9	131.8	166.5	-114.3	2.8	0	0	0	113.6
1026	W	27.8	Very low	28	Very low	220 Å²	220	134.8 Å²	134.8	83%	0.833	71%	0.71	S	S	*	*			trans	41.8	123.5	139.5	-65.5	53.2	0	0	0	121.3
1027	N	28.1	Very low	28	Very low	108 Å²	108	135.2 Å²	135.2	58%	0.578	72%	0.716	S	S	*	*				146.2	129.3	94.5	-147.1	48.8	0	0	0	115.1
1028	E	28.3	Very low	27.8	Very low	145 Å²	145	133.7 Å²	133.7	68%	0.678	71%	0.713	S	S	*	*			trans	57.4	151	154.1	-73.9	177.1	-124.1	0	0	119.9
1029	N	26.9	Very low	27.7	Very low	110 Å²	110	134.6 Å²	134.6	59%	0.588	72%	0.718	S	S	*	*			cis	-161.6	156.7	5.2	-121	-25.3	0	0	0	111.4
1030	N	28	Very low	27.7	Very low	126 Å²	126	136.6 Å²	136.6	67%	0.674	72%	0.723	S	S	*	*			trans	62.7	158.1	157.9	-60.9	-33.6	0	0	0	118.8
1031	N	26.4	Very low	27.7	Very low	123 Å²	123	132.2 Å²	132.2	66%	0.658	72%	0.718	S	S	*	*			cis	-163.3	155.8	-29.9	-106.5	-22.4	0	0	0	110.4
1032	N	25.8	Very low	27.8	Very low	129 Å²	129	133.4 Å²	133.4	69%	0.69	73%	0.725	S	S	*	*			trans	68	145.9	151	-68	-14	0	0	0	122.1
1033	T	26.3	Very low	27.8	Very low	132 Å²	132	131.5 Å²	131.5	81%	0.81	72%	0.722	S	S	*	*			trans	50	79.8	145.6	55.3	0	0	0	0	118.2
1034	N	26	Very low	27.8	Very low	143 Å²	143	130 Å²	130	77%	0.765	71%	0.714	S	S	*	*			trans	-169.4	165.8	160.6	-92.4	-39.8	0	0	0	107.4
1035	N	28	Very low	27.8	Very low	146 Å²	146	130.3 Å²	130.3	78%	0.781	71%	0.705	S	S	*	*			cis	-167.3	179.5	-44	-121.2	-16.9	0	0	0	106.6
1036	S	24.6	Very low	27.7	Very low	101 Å²	101	133.2 Å²	133.2	71%	0.706	71%	0.706	S	S	*	*	S	Bend	trans	-72.6	171	164.4	-166.3	0	0	0	0	111.8
1037	L	28.3	Very low	27.6	Very low	144 Å²	144	128.2 Å²	128.2	75%	0.754	70%	0.696	S	S	*	*			trans	78.6	130.5	179.5	-85.6	65.4	0	0	0	117.9
1038	D	24.9	Very low	27.6	Very low	122 Å²	122	128.7 Å²	128.7	65%	0.652	69%	0.69	S	S	*	*			trans	-67.9	144.5	166.4	-49.4	-94.9	0	0	0	112.7
1039	N	26.3	Very low	27.4	Very low	134 Å²	134	126.8 Å²	126.8	72%	0.717	68%	0.676	S	S	*	*			trans	-175.9	146.9	135.8	-107	-68.2	0	0	0	113.6
1040	H	27.3	Very low	27.5	Very low	186 Å²	186	125.4 Å²	125.4	86%	0.861	67%	0.666	S	S	*	*			trans	61.6	134	160.9	-56.5	-48.3	0	0	0	121.5
1041	G	32.3	Very low	27.7	Very low	75 Å²	75	120.6 Å²	120.6	77%	0.773	65%	0.646	S	S	*	*			trans	164.4	132	162.8	0	0	0	0	0	113.1
1042	N	29.6	Very low	27.8	Very low	139 Å²	139	120 Å²	120	74%	0.743	64%	0.643	S	S	*	*			trans	-119.6	144.8	-171.3	-94.7	-5.5	0	0	0	114.8
1043	N	27.9	Very low	27.8	Very low	114 Å²	114	119.3 Å²	119.3	61%	0.61	64%	0.639	S	S	*	*			trans	48.6	136	144.5	-59.2	-1.7	0	0	0	123.9
1044	D	29.1	Very low	27.8	Very low	115 Å²	115	117.4 Å²	117.4	62%	0.615	62%	0.619	S	S	*	*			trans	45.4	115.5	143.8	-60.2	-37.8	0	0	0	120.2
1045	S	31.8	Very low	27.7	Very low	76 Å²	76	115.9 Å²	115.9	53%	0.531	61%	0.61	S	S	.	*				-173.1	158.8	63.3	37.8	0	0	0	0	113.4
1046	Y	26.8	Very low	27.5	Very low	209 Å²	209	111.8 Å²	111.8	82%	0.82	60%	0.603	S	S	*	*			trans	-59.6	148.2	166.4	-67.6	-101.5	0	0	0	109.4
1047	N	27.5	Very low	27.5	Very low	115 Å²	115	113.6 Å²	113.6	62%	0.615	60%	0.6	S	S	*	*				-172.2	147.2	58.5	-157	-16.3	0	0	0	112.1
1048	R	27	Very low	27.2	Very low	118 Å²	118	109.7 Å²	109.7	45%	0.445	59%	0.585	S	S	.	*			trans	65.8	160	150.3	-96.1	160.6	-176.2	-159.5	-1.8	119	L1339	R1048-L1339 HydrophobicContact CG-CD1 4.44Å
1049	R	25.1	Very low	27.2	Very low	105 Å²	105	107.1 Å²	107.1	40%	0.396	58%	0.576	S	S	.	*			trans	58	101.5	146.8	-74.3	-161.7	-133.7	-167.9	9.9	116.1	D1338 L1339	R1049-D1338 HydrophobicContact CG-CB 3.5Å; R1049-D1338 PolarHBondContact NH1-O 3.19Å; R1049-L1339 PolarHBondContact NH1-O 3.43Å; R1049-L1339 VanDerWaalsContact NH2-CB 3.26Å; R1049-L1339 PolarHBondContact NH2-O 3.27Å; R1049-L1339 VanDerWaalsContact NH2-O 3.13Å
1050	H	29.2	Very low	27.1	Very low	81 Å²	81	107 Å²	107	38%	0.375	58%	0.581	S	S	.	*			cis	-167.6	176.5	3	-1.5	-157.5	0	0	0	111.5	L1336 D1337	H1050-L1336 HydrophobicContact CB-CB 3.8Å; H1050-L1336 HydrophobicContact CB-CG 3.68Å; H1050-L1336 VanDerWaalsContact CD2-CD2 3.4Å; H1050-L1336 WeakPolarHBondContact CD2-CD2 3.12Å; H1050-L1336 VanDerWaalsContact CD2-CG 3.45Å; H1050-L1336 WeakPolarHBondContact CD2-CG 3.24Å; H1050-L1336 VanDerWaalsContact CG-CB 3.48Å; H1050-L1336 WeakPolarHBondContact O-CD1 2.42Å; H1050-L1336 WeakPolarHBondContact O-CG 3.47Å; H1050-D1337 WeakPolarHBondContact CA-OD2 3.47Å; H1050-D1337 HydrophobicContact CB-CB 3.76Å; H1050-D1337 WeakPolarHBondContact CB-OD2 3.31Å; H1050-D1337 PolarHBondContact CE1-O 2.89Å; H1050-D1337 VanDerWaalsContact ND1-C 3.25Å; H1050-D1337 PolarHBondContact ND1-N 3.07Å; H1050-D1337 PolarHBondContact ND1-O 3.23Å
1051	G	30.6	Very low	26.9	Very low	25 Å²	25	106.6 Å²	106.6	26%	0.258	57%	0.572	S	S	.	*				119.3	73.7	121.6	0	0	0	0	0	122.5	D1337	G1051-D1337 WeakPolarHBondContact CA-OD1 3.44Å; G1051-D1337 WeakPolarHBondContact CA-OD2 3.38Å; G1051-D1337 PolarHBondContact N-OD2 2.67Å
1052	L	29.8	Very low	26.6	Very low	112 Å²	112	110 Å²	110	59%	0.586	57%	0.572	S	S	*	*			trans	67.1	142.4	150.4	-70.1	103	0	0	0	121.3	D1337	L1052-D1337 WeakPolarHBondContact CD1-OD1 3.36Å
1053	L	25.3	Very low	26.5	Very low	114 Å²	114	113.3 Å²	113.3	60%	0.597	57%	0.574	S	S	*	*			cis	-174.3	154.4	-30.4	-116.5	-179	0	0	0	109.4
1054	F	25.6	Very low	26.2	Very low	91 Å²	91	115.1 Å²	115.1	40%	0.399	58%	0.583	S	S	.	*			trans	66.3	122.1	149.4	-72.1	-37.2	0	0	0	124	K1327 L1328	F1054-K1327 HydrophobicContact CE2-CB 4.22Å; F1054-K1327 HydrophobicContact CE2-CG 3.95Å; F1054-K1327 HydrophobicContact CZ-CB 3.98Å; F1054-K1327 HydrophobicContact CZ-CD 3.93Å; F1054-K1327 HydrophobicContact CZ-CG 3.69Å; F1054-L1328 HydrophobicContact CB-CD2 3.84Å; F1054-L1328 HydrophobicContact CB-CG 4.29Å; F1054-L1328 HydrophobicContact CD2-CD2 4.42Å
1055	L	24.8	Very low	26	Very low	111 Å²	111	116.2 Å²	116.2	58%	0.581	59%	0.589	S	S	*	*				60.8	159.4	119.3	-67.4	164.9	0	0	0	121.9	K1327 L1328	L1055-K1327 VanDerWaalsContact CD1-O 3.25Å; L1055-K1327 WeakPolarHBondContact CD1-O 2.22Å; L1055-L1328 HydrophobicContact CB-CD1 3.8Å; L1055-L1328 HydrophobicContact CB-CG 4.18Å; L1055-L1328 HydrophobicContact CD1-CG 4.27Å
1056	G	23.7	Very low	25.8	Very low	61 Å²	61	120.2 Å²	120.2	63%	0.629	60%	0.603	S	S	*	*			trans	161.2	46.1	148.9	0	0	0	0	0	116.7
1057	E	23.7	Very low	25.7	Very low	138 Å²	138	115.9 Å²	115.9	65%	0.645	59%	0.593	S	S	*	*			trans	-67.7	136.9	178	-60.9	172.3	113.7	0	0	113	P1320	E1057-P1320 HydrophobicContact CB-CG 3.74Å
1058	S	23.5	Very low	25.6	Very low	62 Å²	62	114.4 Å²	114.4	43%	0.434	59%	0.59	S	S	.	*			trans	177.9	170.4	132.8	51.4	0	0	0	0	111.2	Y1321	S1058-Y1321 PolarHBondContact OG-OH 3.34Å
1059	S	24.5	Very low	25.5	Very low	68 Å²	68	112.3 Å²	112.3	48%	0.476	59%	0.59	S	S	.	*				-179	118.8	-75.1	52.6	0	0	0	0	109.9
1060	T	23.8	Very low	25.5	Very low	131 Å²	131	114.2 Å²	114.2	80%	0.804	61%	0.608	S	S	*	*			trans	-157.4	116.9	163.5	24.2	0	0	0	0	114.8
1061	W	22.9	Very low	25.4	Very low	179 Å²	179	114.6 Å²	114.6	68%	0.678	61%	0.609	S	S	*	*			trans	49.1	114.5	131.2	-72.6	57.7	0	0	0	121.4	Y2608	W1061-Y2608 HydrophobicContact CH2-CE2 4.47Å; W1061-Y2608 WeakPolarHBondContact CZ3-OH 3.44Å
1062	L	26.7	Very low	25.3	Very low	147 Å²	147	119.1 Å²	119.1	77%	0.77	63%	0.626	S	S	*	*			trans	163	140.1	140.5	-90	163.4	0	0	0	107.3	T2465	L1062-T2465 HydrophobicContact CD1-CG2 4.46Å
1063	R	26.9	Very low	25	Very low	208 Å²	208	122.7 Å²	122.7	79%	0.785	64%	0.64	S	S	*	*			cis	-138	162	-2.5	-86.1	-176.3	170	-177.8	-4.3	109.4
1064	N	21.6	Very low	25.3	Very low	151 Å²	151	126.6 Å²	126.6	81%	0.807	65%	0.652	S	S	*	*			trans	-81.7	120.5	147.5	-84.5	-8.7	0	0	0	109.2
1065	N	24.9	Very low	25.4	Very low	139 Å²	139	128.9 Å²	128.9	74%	0.743	67%	0.667	S	S	*	*			trans	179.6	157	150	-97.3	-14.9	0	0	0	109
1066	I	27.2	Very low	25.5	Very low	159 Å²	159	128.1 Å²	128.1	82%	0.815	67%	0.667	S	S	*	*			trans	68.3	93.5	-172.4	-50.7	174	0	0	0	110.5
1067	L	26	Very low	25.7	Very low	119 Å²	119	135.6 Å²	135.6	62%	0.623	68%	0.676	S	S	*	*				62.1	78.4	68.2	-159.9	87	0	0	0	112	T1069	L1067-T1069 WeakPolarHBondContact CD2-OG1 3.21Å; L1067-T1069 WeakPolarHBondContact CG-OG1 3.46Å; L1067-T1069 PolarHBondContact O-N 3.1Å; L1067-T1069 PolarHBondContact O-OG1 2.92Å
1068	P	24.2	Very low	25.8	Very low	83 Å²	83	135.8 Å²	135.8	54%	0.539	68%	0.679	S	S	.	*			trans	-64.4	112.1	179	-11.8	26.3	0	0	0	109.3	W613	W613-P1068 VanDerWaalsContact CE3-O 3.26Å; W613-P1068 HydrophobicContact CH2-CB 4.39Å; W613-P1068 HydrophobicContact CH2-CG 4.3Å; W613-P1068 WeakPolarHBondContact CH2-O 3.47Å; W613-P1068 HydrophobicContact CZ2-CB 3.71Å; W613-P1068 HydrophobicContact CZ2-CG 3.83Å; W613-P1068 VanDerWaalsContact CZ2-O 3.3Å; W613-P1068 WeakPolarHBondContact CZ2-O 3.3Å; W613-P1068 WeakPolarHBondContact CZ3-O 3.39Å
1069	T	26	Very low	25.9	Very low	74 Å²	74	142.6 Å²	142.6	45%	0.454	70%	0.696	S	S	.	*			trans	-144	65.8	-175.4	-30.5	0	0	0	0	112.3	L1067	L1067-T1069 WeakPolarHBondContact CD2-OG1 3.21Å; L1067-T1069 WeakPolarHBondContact CG-OG1 3.46Å; L1067-T1069 PolarHBondContact O-N 3.1Å; L1067-T1069 PolarHBondContact O-OG1 2.92Å
1070	D	24.7	Very low	26.3	Very low	146 Å²	146	141.4 Å²	141.4	78%	0.781	69%	0.694	S	S	*	*			trans	-99.5	98.3	151.3	-81.7	-50.2	0	0	0	109.2	A612	A612-D1070 VanDerWaalsContact CB-O 3.32Å; A612-D1070 WeakPolarHBondContact CB-O 3.38Å
1071	K	26.1	Very low	26.4	Very low	88 Å²	88	139.7 Å²	139.7	38%	0.383	68%	0.678	S	S	.	*	S	Bend	trans	-156.6	145.3	136.6	-151.2	-158.2	-87.4	-178.5	0	109	A612 W613 R614	A612-K1071 HydrophobicContact CB-CB 4.03Å; A612-K1071 HydrophobicContact CB-CD 4.4Å; A612-K1071 HydrophobicContact CB-CG 3.69Å; A612-K1071 WeakPolarHBondContact O-CE 3.34Å; W613-K1071 VanDerWaalsContact C-CE 3.49Å; W613-K1071 HydrophobicContact CB-CB 4.28Å; W613-K1071 WeakPolarHBondContact O-CB 3.29Å; W613-K1071 WeakPolarHBondContact O-CD 3.18Å; W613-K1071 WeakPolarHBondContact O-CE 3.27Å; R614-K1071 WeakPolarHBondContact O-CD 3.16Å; R614-K1071 WeakPolarHBondContact O-CE 3.32Å; R614-K1071 PolarHBondContact O-NZ 3.36Å
1072	I	29.6	Very low	26.6	Very low	120 Å²	120	134.2 Å²	134.2	62%	0.615	66%	0.662	S	S	*	*			trans	53	73.5	169.8	-60.3	155.3	0	0	0	110.9	K1074	I1072-K1074 PolarHBondContact O-N 2.83Å
1073	E	24.3	Very low	26.7	Very low	188 Å²	188	132.2 Å²	132.2	88%	0.879	65%	0.648	S	S	*	*			trans	-41.8	122.5	136.6	-176.8	174.9	-128.7	0	0	108.2	I1075	E1073-I1075 PolarHBondContact O-N 3.49Å
1074	K	30.1	Very low	26.8	Very low	196 Å²	196	125 Å²	125	85%	0.852	63%	0.633	S	S	*	*			trans	-68.8	122.5	-159.8	-165.4	175.2	-176.3	179.6	0	110.1	I1072 T1076	I1072-K1074 PolarHBondContact O-N 2.83Å; K1074-T1076 PolarHBondContact O-N 3.45Å
1075	I	27.6	Very low	27.2	Very low	138 Å²	138	123.2 Å²	123.2	71%	0.708	62%	0.623	S	S	*	*			trans	-59.4	96.7	-173	-80	177.4	0	0	0	112.4	E1073	E1073-I1075 PolarHBondContact O-N 3.49Å
1076	T	28.5	Very low	27.3	Very low	96 Å²	96	121.1 Å²	121.1	59%	0.589	62%	0.616	S	S	*	*			trans	55	106.2	133.4	-11.8	0	0	0	0	117.8	K1074	K1074-T1076 PolarHBondContact O-N 3.45Å
1077	R	27.2	Very low	27.4	Very low	218 Å²	218	119.5 Å²	119.5	82%	0.823	61%	0.614	S	S	*	*				175.2	120.3	97.1	-96.6	158.8	-80.3	-141.9	-5.6	112.6
1078	M	24.6	Very low	27.5	Very low	142 Å²	142	123 Å²	123	70%	0.7	63%	0.626	S	S	*	*			trans	-137.2	114.5	140.9	-81.6	-107.6	-74.7	0	0	108.1
1079	Y	27.2	Very low	27.6	Very low	205 Å²	205	127.1 Å²	127.1	80%	0.804	64%	0.636	S	S	*	*			trans	-137.6	144.9	153.1	-95.6	-69.4	0	0	0	103.3	N699 S700 Q701	N699-Y1079 CarbonylContact O-C 3.5Å; S700-Y1079 CarbonylContact C-O 3.34Å; S700-Y1079 CarbonylContact O-C 3.39Å; S700-Y1079 VanDerWaalsContact O-O 3.05Å; Q701-Y1079 PolarHBondContact N-O 2.88Å
1080	G	31.4	Very low	27.5	Very low	42 Å²	42	130.6 Å²	130.6	43%	0.433	65%	0.647	S	S	.	*			cis	-165.8	92.3	-1.8	0	0	0	0	0	113.4	N699 S700	N699-G1080 CarbonylContact O-C 3.57Å; N699-G1080 WeakPolarHBondContact O-CA 3.3Å; N699-G1080 PolarHBondContact O-N 3.16Å; N699-G1080 VanDerWaalsContact O-N 3.13Å; S700-G1080 PolarHBondContact O-N 2.75Å
1081	E	27.1	Very low	27.6	Very low	96 Å²	96	131.7 Å²	131.7	45%	0.449	65%	0.645	S	S	.	*			trans	75.4	127.9	134.1	-65.9	155.1	-168.1	0	0	120.2	I697 N699	I697-E1081 HydrophobicContact CB-CG 4.24Å; I697-E1081 HydrophobicContact CG2-CB 4.03Å; I697-E1081 HydrophobicContact CG2-CG 3.38Å; I697-E1081 WeakPolarHBondContact CG2-OE2 3.14Å; N699-E1081 PolarHBondContact O-N 3.47Å
1082	N	27.5	Very low	27.7	Very low	64 Å²	64	131.7 Å²	131.7	34%	0.342	66%	0.661	S	S	.	*			trans	81.3	144.3	162.8	-55.5	-18.8	0	0	0	118.2	I697 N699	I697-N1082 WeakPolarHBondContact CA-OD1 3.43Å; I697-N1082 WeakPolarHBondContact CG1-OD1 3.35Å; N699-N1082 VanDerWaalsContact ND2-C 3.31Å; N699-N1082 PolarHBondContact ND2-O 2.85Å
1083	E	28	Very low	27.7	Very low	105 Å²	105	131.5 Å²	131.5	49%	0.491	67%	0.665	S	S	.	*			cis	-158.1	177.1	2.1	-133.5	175.3	-122.8	0	0	111.8	M1 L2	M1-E1083 WeakPolarHBondContact CA-OE2 2.92Å; M1-E1083 PolarHBondContact N-OE2 3.41Å; M1-E1083 WeakPolarHBondContact O-CG 2.13Å; L2-E1083 PolarHBondContact N-OE2 3.09Å
1084	A	28.7	Very low	27.9	Very low	56 Å²	56	131.7 Å²	131.7	46%	0.463	66%	0.663	S	S	.	*			trans	-73	176.5	179	0	0	0	0	0	113.6	M1	M1-A1084 PolarHBondContact N-O 3.35Å
1085	D	29.6	Very low	27.9	Very low	113 Å²	113	127.7 Å²	127.7	60%	0.604	66%	0.655	S	S	*	*			cis	-162.2	173.8	19.2	-156.1	3.8	0	0	0	114.3	M1	M1-D1085 HydrophobicContact CB-CB 4.34Å; M1-D1085 HydrophobicContact CE-CB 4.34Å; M1-D1085 HydrophobicContact SD-CB 4.23Å
1086	T	28.4	Very low	28	Very low	96 Å²	96	128.6 Å²	128.6	59%	0.589	66%	0.66	S	S	*	*			trans	39.3	109.3	155.7	37	0	0	0	0	122.4
1087	T	28.3	Very low	28.1	Very low	125 Å²	125	128.7 Å²	128.7	77%	0.767	67%	0.665	S	S	*	*			trans	35.5	113.8	136.9	57.3	0	0	0	0	121.1
1088	H	28.2	Very low	28	Very low	192 Å²	192	126.3 Å²	126.3	89%	0.889	67%	0.668	S	S	*	*				-146.2	158.9	124.6	-134.4	-95.5	0	0	0	113.9
1089	K	26.2	Very low	28.2	Very low	170 Å²	170	126.5 Å²	126.5	74%	0.739	68%	0.677	S	S	*	*			trans	-78	143.2	-169.1	-71.3	171.5	178.6	168.2	0	114.2
1090	Q	24.6	Very low	28.2	Very low	147 Å²	147	123.3 Å²	123.3	69%	0.687	68%	0.675	S	S	*	*			trans	67.3	157	146.6	-70.1	178.6	34.6	0	0	116.4
1091	K	27.2	Very low	28.1	Very low	169 Å²	169	129.3 Å²	129.3	74%	0.735	69%	0.691	S	S	*	*			cis	-158.3	162.9	1.8	-133.8	165.4	-173.2	151.9	0	110.1
1092	A	27.7	Very low	28.1	Very low	88 Å²	88	135.7 Å²	135.7	73%	0.727	71%	0.711	S	S	*	*			trans	71.8	148	146.6	0	0	0	0	0	117.7
1093	V	28.8	Very low	28.4	Very low	116 Å²	116	136.8 Å²	136.8	70%	0.703	72%	0.722	S	S	*	*			cis	-155.6	138.8	-3.6	105.8	0	0	0	0	112.8
1094	K	28.5	Very low	28.2	Very low	191 Å²	191	137.2 Å²	137.2	83%	0.83	73%	0.731	S	S	*	*			trans	61.8	158.8	161.8	-61.8	172.1	-173.5	178.6	0	115.8
1095	T	30.1	Very low	28	Very low	113 Å²	113	142.3 Å²	142.3	69%	0.693	75%	0.745	S	S	*	*			cis	-141.7	144.4	18.8	28.5	0	0	0	0	112.9
1096	I	30.9	Very low	27.6	Very low	156 Å²	156	141.9 Å²	141.9	80%	0.8	75%	0.751	S	S	*	*			trans	66.7	128.1	147.1	-60.2	161.7	0	0	0	117.1
1097	S	29.8	Very low	27.4	Very low	99 Å²	99	143 Å²	143	69%	0.692	76%	0.763	S	S	*	*			cis	-170.1	127.9	-18.8	52.1	0	0	0	0	109.5
1098	D	26	Very low	27.3	Very low	167 Å²	167	142.7 Å²	142.7	89%	0.893	77%	0.766	S	S	*	*			trans	-123.2	156.7	171.8	-75.8	-60	0	0	0	111.2
1099	T	28.9	Very low	27.2	Very low	146 Å²	146	139.2 Å²	139.2	90%	0.896	76%	0.763	S	S	*	*			trans	-100.8	157.9	-171.7	35.4	0	0	0	0	114.2
1100	N	27.5	Very low	27.4	Very low	139 Å²	139	136.2 Å²	136.2	74%	0.743	76%	0.761	S	S	*	*			trans	-99	148.7	-172.6	-78	-43.2	0	0	0	114.3
1101	H	29.1	Very low	27.4	Very low	168 Å²	168	135 Å²	135	78%	0.778	76%	0.758	S	S	*	*			trans	50.2	120.4	150.3	-56.8	-40.4	0	0	0	120.5
1102	R	25.9	Very low	27.3	Very low	230 Å²	230	131.6 Å²	131.6	87%	0.868	76%	0.756	S	S	*	*				67.7	145.7	77	-135.9	-143.5	171	-167.3	-1.4	113.5
1103	P	33.5	Very low	27.2	Very low	87 Å²	87	132.5 Å²	132.5	57%	0.565	76%	0.757	S	S	*	*				-133.8	-177.2	-69.4	41	-25.9	0	0	0	112.8
1104	T	24	Very low	27.2	Very low	113 Å²	113	133.5 Å²	133.5	69%	0.693	75%	0.752	S	S	*	*				152.5	160.4	125	51.2	0	0	0	0	114.6
1105	H	24.5	Very low	27.6	Very low	163 Å²	163	130.7 Å²	130.7	76%	0.755	75%	0.751	S	S	*	*			trans	60.6	110.3	156.3	-62.4	-55.7	0	0	0	122.3
1106	S	22.4	Very low	27.6	Very low	105 Å²	105	131.3 Å²	131.3	73%	0.734	75%	0.754	S	S	*	*			trans	65.3	141.1	134.6	56	0	0	0	0	122.5
1107	S	22.5	Very low	27.6	Very low	118 Å²	118	131.3 Å²	131.3	83%	0.825	75%	0.754	S	S	*	*			trans	50	96.1	153	57.5	0	0	0	0	118.1
1108	S	26.9	Very low	28	Very low	119 Å²	119	135 Å²	135	83%	0.832	76%	0.76	S	S	*	*			trans	-125.8	97.6	163.4	63.1	0	0	0	0	111.7
1109	S	25.6	Very low	28.3	Very low	119 Å²	119	135.2 Å²	135.2	83%	0.832	75%	0.753	S	S	*	*			trans	-71.6	160.1	150.9	-58.5	0	0	0	0	109.5
1110	P	32	Very low	28.2	Very low	107 Å²	107	134.4 Å²	134.4	70%	0.695	74%	0.742	S	S	*	*			trans	-106.4	165.8	-153.3	40.1	-37	0	0	0	116.2
1111	L	23.9	Very low	28.1	Very low	121 Å²	121	134 Å²	134	63%	0.634	74%	0.74	S	S	*	*			trans	67.2	152.3	162.3	-63.1	154.1	0	0	0	115.2	D723	D723-L1111 WeakPolarHBondContact OD1-CD2 3.38Å
1112	S	24.8	Very low	27.9	Very low	98 Å²	98	134.4 Å²	134.4	69%	0.685	74%	0.742	S	S	*	*			cis	-157.1	-173.3	-3.4	-146	0	0	0	0	107.5
1113	S	25.2	Very low	28	Very low	108 Å²	108	128.7 Å²	128.7	76%	0.755	73%	0.733	S	S	*	*			cis	-147.9	-94.9	4	59	0	0	0	0	114
1114	K	30.3	Very low	27.7	Very low	137 Å²	137	133.1 Å²	133.1	60%	0.596	74%	0.743	S	S	*	*			trans	-154.5	130.8	-162.4	-70.3	177.1	-177.5	169.4	0	116.7	T721	T721-K1114 PolarHBondContact OG1-NZ 3.41Å
1115	V	35.7	Very low	27.9	Very low	132 Å²	132	135.1 Å²	135.1	80%	0.8	75%	0.749	S	S	*	*				35	132	123.3	-172.1	0	0	0	0	121.7
1116	V	29.9	Very low	28	Very low	125 Å²	125	133.1 Å²	133.1	76%	0.758	74%	0.744	S	S	*	*				-176.3	123.7	119.5	149.1	0	0	0	0	114
1117	I	32.1	Very low	28.4	Very low	156 Å²	156	136.8 Å²	136.8	80%	0.8	75%	0.747	S	S	*	*			trans	51.3	139.1	150.1	-59.6	176.2	0	0	0	123
1118	H	36.9	Very low	28.8	Very low	176 Å²	176	136.3 Å²	136.3	82%	0.815	74%	0.744	S	S	*	*			trans	-65.7	170.3	176	-77	-93	0	0	0	115.4
1119	K	32.4	Very low	28.7	Very low	173 Å²	173	135.9 Å²	135.9	75%	0.752	74%	0.737	S	S	*	*			cis	-162.8	144.6	31.2	-151.3	-170.5	-170.2	-169.5	0	115.4
1120	L	26.3	Very low	28.6	Very low	129 Å²	129	140.8 Å²	140.8	68%	0.675	74%	0.738	S	S	*	*			trans	71.8	149.1	151.5	-113.1	70.6	0	0	0	121.6
1121	D	26	Very low	28.4	Very low	129 Å²	129	145 Å²	145	69%	0.69	75%	0.746	S	S	*	*			trans	61.8	90.8	158.4	-54.3	-18	0	0	0	121.7
1122	E	25.6	Very low	28.7	Very low	177 Å²	177	144.6 Å²	144.6	83%	0.827	75%	0.75	S	S	*	*				69	127.3	124	-68.8	-156.5	142.1	0	0	123.2
1123	V	27	Very low	28.8	Very low	111 Å²	111	145.8 Å²	145.8	67%	0.673	75%	0.753	S	S	*	*			trans	67.3	90.9	147.6	-175	0	0	0	0	117.8
1124	K	28	Very low	28.7	Very low	180 Å²	180	145.9 Å²	145.9	78%	0.783	75%	0.749	S	S	*	*			trans	71.8	129.5	144.3	-60.4	171.4	-175.8	174.5	0	118.6
1125	N	27.8	Very low	28.5	Very low	154 Å²	154	146.3 Å²	146.3	82%	0.824	76%	0.758	S	S	*	*			trans	84	120	162.3	-50	-18.3	0	0	0	117.8
1126	D	26.6	Very low	28	Very low	121 Å²	121	145.9 Å²	145.9	65%	0.647	76%	0.755	S	S	*	*			trans	63.3	117	142.5	-80.7	17.9	0	0	0	124.2
1127	K	31.1	Very low	27.9	Very low	182 Å²	182	146.7 Å²	146.7	79%	0.791	75%	0.754	S	S	*	*			trans	70.7	146.1	139.2	-61.1	158.7	-174.9	149.1	0	116
1128	S	29.9	Very low	27.6	Very low	108 Å²	108	149.2 Å²	149.2	76%	0.755	76%	0.755	S	S	*	*			cis	-154.9	169.9	6.2	44.5	0	0	0	0	107.5
1129	T	26	Very low	27	Very low	111 Å²	111	145.5 Å²	145.5	68%	0.681	75%	0.749	S	S	*	*	S	Bend		-174.6	122.8	54.6	-53	0	0	0	0	106.5
1130	Y	23	Very low	26.8	Very low	222 Å²	222	143.6 Å²	143.6	87%	0.871	74%	0.74	S	S	*	*	S	Bend		-141.7	177.6	77.9	-114.6	-101.8	0	0	0	112
1131	K	27.9	Very low	26.9	Very low	195 Å²	195	141.4 Å²	141.4	85%	0.848	73%	0.732	S	S	*	*			trans	-75	153.9	-159.3	-70.1	-176.4	177.6	-179.3	0	115.6
1132	P	30.2	Very low	27.1	Very low	112 Å²	112	140.8 Å²	140.8	73%	0.727	73%	0.728	S	S	*	*			trans	-133.6	-157.3	-152.9	31	-5.4	0	0	0	114.2
1133	V	26	Very low	27.1	Very low	123 Å²	123	139 Å²	139	75%	0.745	72%	0.724	S	S	*	*			trans	102.1	107.7	156	-171.7	0	0	0	0	118.6
1134	T	24.7	Very low	27.1	Very low	110 Å²	110	138.3 Å²	138.3	68%	0.675	72%	0.724	S	S	*	*			trans	9.8	137.6	150.8	64.3	0	0	0	0	124.5
1135	N	25.8	Very low	27.1	Very low	147 Å²	147	138.2 Å²	138.2	79%	0.786	73%	0.727	S	S	*	*				79.5	143	129.5	-73	-3.4	0	0	0	123.5
1136	V	25.7	Very low	27.1	Very low	122 Å²	122	135.7 Å²	135.7	74%	0.739	72%	0.721	S	S	*	*			trans	86.9	108.1	139.8	159.4	0	0	0	0	121.5
1137	I	26.1	Very low	27.1	Very low	142 Å²	142	137 Å²	137	73%	0.728	73%	0.728	S	S	*	*			trans	78.2	113.4	133.6	-66.8	-177.2	0	0	0	122.9
1138	Y	26	Very low	26.8	Very low	210 Å²	210	138.2 Å²	138.2	82%	0.824	73%	0.729	S	S	*	*			trans	63.6	120.9	139.2	-83.1	-115.6	0	0	0	125.2
1139	S	24.9	Very low	26.6	Very low	98 Å²	98	140.9 Å²	140.9	69%	0.685	73%	0.729	S	S	*	*				97	112.3	122.1	71.3	0	0	0	0	122.4
1140	K	28.9	Very low	26.6	Very low	132 Å²	132	139.8 Å²	139.8	57%	0.574	73%	0.726	S	S	*	*				34.6	111.4	128.5	-72.7	167.1	176.9	159.9	0	115.8	F731	F731-K1140 HydrophobicContact CB-CD 4.26Å
1141	T	28.3	Very low	26.8	Very low	83 Å²	83	136 Å²	136	51%	0.509	72%	0.721	S	S	.	*			cis	-152.4	-167	29.1	53.2	0	0	0	0	109.9	K732	K732-T1141 WeakPolarHBondContact O-CG2 3.37Å
1142	I	28.9	Very low	26.8	Very low	116 Å²	116	133.2 Å²	133.2	60%	0.595	72%	0.715	S	S	*	*			cis	-157.5	-173.8	16.5	-154.4	157.3	0	0	0	112.3	H734	H734-I1142 VanDerWaalsContact O-CD1 3.28Å; H734-I1142 WeakPolarHBondContact O-CD1 3.49Å
1143	N	27.2	Very low	26.6	Very low	141 Å²	141	134.7 Å²	134.7	75%	0.754	71%	0.712	S	S	*	*			trans	-41.8	148.1	167.7	-66.5	-8	0	0	0	114.3
1144	S	26.3	Very low	26.9	Very low	95 Å²	95	135 Å²	135	66%	0.664	71%	0.714	S	S	*	*			cis	-173	152	-6.3	45.9	0	0	0	0	110.8
1145	Q	27.5	Very low	27.2	Very low	179 Å²	179	134.7 Å²	134.7	84%	0.836	72%	0.717	S	S	*	*			trans	61.8	94.3	165.3	-70.2	175.5	-27	0	0	115.9
1146	S	27.3	Very low	27.4	Very low	100 Å²	100	135.1 Å²	135.1	70%	0.699	72%	0.719	S	S	*	*				90.1	83.3	69.4	68.7	0	0	0	0	114.8
1147	N	27.1	Very low	27.7	Very low	150 Å²	150	132 Å²	132	80%	0.802	71%	0.711	S	S	*	*			trans	-168.9	150.6	136.3	-101.9	-28.4	0	0	0	112.4
1148	Y	26	Very low	27.8	Very low	207 Å²	207	131.8 Å²	131.8	81%	0.812	72%	0.717	S	S	*	*			trans	10.3	107.8	159.7	-70.7	-94.1	0	0	0	121.4
1149	H	25.5	Very low	27.9	Very low	163 Å²	163	128.2 Å²	128.2	76%	0.755	71%	0.712	S	S	*	*				68.2	121.5	110.7	-132	-70.9	0	0	0	121.5
1150	S	26	Very low	28	Very low	88 Å²	88	128.4 Å²	128.4	62%	0.615	71%	0.709	S	S	*	*			trans	65.3	146.8	156.2	28	0	0	0	0	118
1151	D	25.6	Very low	27.8	Very low	143 Å²	143	131 Å²	131	77%	0.765	72%	0.72	S	S	*	*			cis	-159.7	169.8	7.9	-118.1	-18.3	0	0	0	111.9
1152	L	28.2	Very low	27.9	Very low	137 Å²	137	132.3 Å²	132.3	72%	0.717	73%	0.728	S	S	*	*			trans	67.4	146.7	167.3	-88.6	76.1	0	0	0	118.6
1153	E	27.4	Very low	27.7	Very low	143 Å²	143	132.7 Å²	132.7	67%	0.668	73%	0.732	S	S	*	*			cis	-165	156.6	-20.3	-136.3	170.9	-159.2	0	0	111.3
1154	T	31.5	Very low	27.8	Very low	129 Å²	129	132.9 Å²	132.9	79%	0.791	73%	0.728	S	S	*	*			trans	62.5	142.7	162.6	56.3	0	0	0	0	119.8
1155	S	30.1	Very low	27.7	Very low	104 Å²	104	137.4 Å²	137.4	73%	0.727	73%	0.731	S	S	*	*			cis	-156.1	-129	-5.9	46.3	0	0	0	0	111.5
1156	D	30.5	Very low	27.5	Very low	156 Å²	156	135.3 Å²	135.3	83%	0.834	73%	0.726	S	S	*	*			trans	-138.2	167.4	-147.5	-58.9	-96.3	0	0	0	111.6
1157	G	31.8	Very low	27.5	Very low	56 Å²	56	137.7 Å²	137.7	58%	0.577	73%	0.731	S	S	*	*			cis	153.2	-179.6	-1.6	0	0	0	0	0	111.5
1158	T	29	Very low	27.4	Very low	138 Å²	138	135.3 Å²	135.3	85%	0.847	73%	0.726	S	S	*	*			trans	66.5	152.1	166.7	64.7	0	0	0	0	118
1159	D	27.8	Very low	27.5	Very low	134 Å²	134	134.8 Å²	134.8	72%	0.717	73%	0.728	S	S	*	*			cis	-151.1	-178.4	-7	-132.3	-53.8	0	0	0	114.6
1160	T	27.5	Very low	27.5	Very low	103 Å²	103	134.2 Å²	134.2	63%	0.632	72%	0.724	S	S	*	*			trans	-78.8	-170.5	-174.5	56.6	0	0	0	0	115.1
1161	F	23.6	Very low	27.5	Very low	185 Å²	185	139 Å²	139	81%	0.811	73%	0.73	S	S	*	*			cis	-166.9	169.1	12.5	-131.6	-46.6	0	0	0	112.1
1162	V	30.7	Very low	27.5	Very low	111 Å²	111	135.2 Å²	135.2	67%	0.673	72%	0.724	S	S	*	*			trans	86.3	119.4	148.3	170	0	0	0	0	122.2
1163	N	26	Very low	27.4	Very low	125 Å²	125	133 Å²	133	67%	0.668	71%	0.712	S	S	*	*			trans	33.4	157.3	137	-52.7	-4.1	0	0	0	122.9
1164	H	27.9	Very low	27.5	Very low	145 Å²	145	132.2 Å²	132.2	67%	0.671	72%	0.719	S	S	*	*			cis	-157.2	155.6	12.3	-122.1	-37.9	0	0	0	112.3
1165	Y	24.3	Very low	27.1	Very low	189 Å²	189	131.9 Å²	131.9	74%	0.741	71%	0.708	S	S	*	*			trans	48.3	131.7	151.6	-81.3	-65.4	0	0	0	124.3
1166	N	24.1	Very low	27.1	Very low	135 Å²	135	135.3 Å²	135.3	72%	0.722	71%	0.713	S	S	*	*			trans	70.6	148.8	147.5	-70.2	-3.8	0	0	0	121.2
1167	N	26.1	Very low	27.1	Very low	150 Å²	150	132.8 Å²	132.8	80%	0.802	70%	0.699	S	S	*	*			trans	69.5	145.9	165.6	-67.4	-1.2	0	0	0	120.2
1168	S	26.1	Very low	27	Very low	101 Å²	101	136.3 Å²	136.3	71%	0.706	70%	0.7	S	S	*	*			trans	5.2	116.3	158.1	55.2	0	0	0	0	120.3
1169	K	27	Very low	26.8	Very low	196 Å²	196	133.4 Å²	133.4	85%	0.852	69%	0.69	S	S	*	*				40.2	105.5	121.4	-70	177.3	179	170.7	0	118.7
1170	K	26.3	Very low	26.6	Very low	151 Å²	151	132.8 Å²	132.8	66%	0.657	69%	0.685	S	S	*	*				85.5	137	107.7	-149.1	-176.5	-173.4	-154.8	0	118.7
1171	Y	25.4	Very low	26.5	Very low	189 Å²	189	133.2 Å²	133.2	74%	0.741	69%	0.691	S	S	*	*			trans	74.4	140.1	172.5	-55	-67.2	0	0	0	117
1172	G	27.3	Very low	26.5	Very low	62 Å²	62	131.9 Å²	131.9	64%	0.639	69%	0.686	S	S	*	*			cis	166.1	-142	-5.6	0	0	0	0	0	112.8
1173	I	26.2	Very low	26.2	Very low	92 Å²	92	134.2 Å²	134.2	47%	0.472	69%	0.689	S	S	.	*			trans	85.9	139.6	158.2	-65.9	177.3	0	0	0	115.4	H1175	I1173-H1175 HydrophobicContact CG2-CB 4.05Å; I1173-H1175 WeakPolarHBondContact CG2-CD2 3.38Å
1174	P	27.6	Very low	26.1	Very low	126 Å²	126	133.5 Å²	133.5	82%	0.818	69%	0.69	S	S	*	*	S	Bend	cis	-57.3	126.7	19.8	23.3	-35.4	0	0	0	114.2
1175	H	24.5	Very low	26	Very low	121 Å²	121	133 Å²	133	56%	0.56	69%	0.692	S	S	*	*	S	Bend		60.9	104.5	71.3	-82.4	-46.3	0	0	0	108.8	I1173 D1177	I1173-H1175 HydrophobicContact CG2-CB 4.05Å; I1173-H1175 WeakPolarHBondContact CG2-CD2 3.38Å; H1175-D1177 IonicContact ND1-OD1 3Å; H1175-D1177 PolarHBondContact ND1-OD1 3.39Å
1176	E	28.8	Very low	25.8	Very low	176 Å²	176	132.9 Å²	132.9	82%	0.822	70%	0.7	S	S	*	*	S	Bend	cis	-137.9	150.1	12.6	-70.7	153.6	-177.4	0	0	110.1
1177	D	30.6	Very low	25.8	Very low	103 Å²	103	129.7 Å²	129.7	55%	0.551	70%	0.699	S	S	*	*			cis	-158.7	160	-9.4	-111.2	4.3	0	0	0	111.3	H1175	H1175-D1177 IonicContact ND1-OD1 3Å; H1175-D1177 PolarHBondContact ND1-OD1 3.39Å
1178	H	29.8	Very low	25.7	Very low	131 Å²	131	129.1 Å²	129.1	61%	0.606	70%	0.695	S	S	*	*			trans	17.6	154.5	141.2	-59.9	-49.9	0	0	0	122.6
1179	A	25	Very low	25.7	Very low	76 Å²	76	129.9 Å²	129.9	63%	0.628	69%	0.692	S	S	*	*			cis	-163.5	148	-6.3	0	0	0	0	0	109.4
1180	I	23.4	Very low	25.7	Very low	121 Å²	121	127.6 Å²	127.6	62%	0.621	68%	0.682	S	S	*	*				59.6	138.8	93.4	-38.9	163.1	0	0	0	115.1	F1182	I1180-F1182 HydrophobicContact CG2-CD2 4.25Å; I1180-F1182 HydrophobicContact CG2-CE2 3.84Å; I1180-F1182 HydrophobicContact CG2-CZ 4.27Å
1181	C	26.3	Very low	25.7	Very low	112 Å²	112	126.2 Å²	126.2	76%	0.757	68%	0.677	S	S	*	*			trans	118.6	143.6	152.8	-59.8	0	0	0	0	115.1
1182	F	24.2	Very low	25.8	Very low	157 Å²	157	126 Å²	126	69%	0.689	68%	0.677	S	S	*	*			cis	-168.2	159.7	-37	-111.2	-52.1	0	0	0	109.3	I1180	I1180-F1182 HydrophobicContact CG2-CD2 4.25Å; I1180-F1182 HydrophobicContact CG2-CE2 3.84Å; I1180-F1182 HydrophobicContact CG2-CZ 4.27Å
1183	E	23.3	Very low	25.7	Very low	160 Å²	160	131.6 Å²	131.6	75%	0.748	68%	0.684	S	S	*	*			trans	56.7	-142.9	144.2	-71.2	160.1	158	0	0	120.7
1184	T	23.7	Very low	25.7	Very low	111 Å²	111	133.4 Å²	133.4	68%	0.681	69%	0.69	S	S	*	*				-117.7	-171	-125.6	43.1	0	0	0	0	114.9
1185	D	25.5	Very low	25.6	Very low	134 Å²	134	132.9 Å²	132.9	72%	0.717	68%	0.68	S	S	*	*			trans	78.4	144.7	160.6	-52.3	-58.9	0	0	0	116
1186	M	21.2	Very low	25.7	Very low	186 Å²	186	134 Å²	134	92%	0.916	69%	0.689	S	S	*	*			cis	70	61.4	39.3	-68.2	-72.4	-71.6	0	0	114
1187	G	23.7	Very low	25.7	Very low	68 Å²	68	133.9 Å²	133.9	70%	0.701	69%	0.688	S	S	*	*			trans	163.1	115.3	173.2	0	0	0	0	0	108.8
1188	L	22.9	Very low	25.4	Very low	138 Å²	138	137.2 Å²	137.2	72%	0.723	70%	0.701	S	S	*	*			cis	70.2	49.2	15.8	-129.5	-175.1	0	0	0	115.3
1189	D	26.9	Very low	25.2	Very low	117 Å²	117	137.2 Å²	137.2	63%	0.626	71%	0.705	S	S	*	*				-149	141	116.7	-94.6	-22.7	0	0	0	107.5
1190	K	26.2	Very low	25.3	Very low	148 Å²	148	138.4 Å²	138.4	64%	0.643	71%	0.709	S	S	*	*				65.2	162.2	50.1	-57.1	-175.1	-159.5	140	0	113.5
1191	H	27.1	Very low	25.6	Very low	122 Å²	122	141.3 Å²	141.3	57%	0.565	72%	0.717	S	S	*	*			trans	64.5	110.7	159.8	-63.2	-55.2	0	0	0	116.4
1192	Y	28.4	Very low	25.5	Very low	186 Å²	186	142.5 Å²	142.5	73%	0.729	72%	0.715	S	S	*	*			cis	-130.9	155.9	-5.3	-88.3	-100.1	0	0	0	107.4
1193	F	23.8	Very low	25.8	Very low	179 Å²	179	140.6 Å²	140.6	79%	0.785	71%	0.712	S	S	*	*				56.5	160.8	66	-113.4	-83.3	0	0	0	113.5
1194	Q	27	Very low	26.3	Very low	130 Å²	130	140.9 Å²	140.9	61%	0.607	71%	0.711	S	S	*	*			trans	71.6	88.5	-178.5	-101.7	44.8	59.8	0	0	116.5
1195	D	26.3	Very low	26.4	Very low	115 Å²	115	142 Å²	142	62%	0.615	71%	0.712	S	S	*	*				76	127.3	115	-62	-7.1	0	0	0	121.9
1196	I	25.9	Very low	26.6	Very low	144 Å²	144	140.7 Å²	140.7	74%	0.738	71%	0.709	S	S	*	*			trans	79.4	132.6	135.9	-68.5	168.5	0	0	0	118.5
1197	E	27.6	Very low	26.9	Very low	173 Å²	173	137.4 Å²	137.4	81%	0.808	70%	0.699	S	S	*	*			trans	27.9	112.6	156.9	-63.2	178.6	127.7	0	0	121.2
1198	Q	26	Very low	26.9	Very low	173 Å²	173	139.3 Å²	139.3	81%	0.808	70%	0.702	S	S	*	*				34.1	121.7	127.8	-69.9	-161.2	18.5	0	0	121
1199	N	25.4	Very low	27.2	Very low	131 Å²	131	139.1 Å²	139.1	70%	0.701	71%	0.707	S	S	*	*			trans	82.7	130.8	134.1	-74	-44	0	0	0	121.2
1200	S	26.9	Very low	27.3	Very low	102 Å²	102	137.1 Å²	137.1	71%	0.713	71%	0.707	S	S	*	*			trans	82	164	144.6	86.5	0	0	0	0	117.1
1201	K	28.7	Very low	27.5	Very low	182 Å²	182	137.1 Å²	137.1	79%	0.791	71%	0.712	S	S	*	*			cis	-165.6	-154.8	8.5	-143	158.9	-165.2	168.7	0	111.3
1202	L	25.7	Very low	27.4	Very low	136 Å²	136	136.5 Å²	136.5	71%	0.712	72%	0.717	S	S	*	*			trans	79.7	140.7	162.7	-95.6	61	0	0	0	115.5
1203	N	30.6	Very low	27.1	Very low	118 Å²	118	134.2 Å²	134.2	63%	0.631	72%	0.715	S	S	*	*			cis	-132.4	164.8	22	-71.3	-91.9	0	0	0	110.4
1204	K	31.9	Very low	27.1	Very low	166 Å²	166	131.4 Å²	131.4	72%	0.722	71%	0.712	S	S	*	*			cis	-157.2	-170.3	-7.9	-113	171	173.6	90.4	0	105.2
1205	L	27.5	Very low	26.9	Very low	134 Å²	134	129.7 Å²	129.7	70%	0.702	71%	0.711	S	S	*	*			cis	-148.8	162.7	8.3	-168.2	72.6	0	0	0	109.3
1206	T	28.1	Very low	26.8	Very low	107 Å²	107	131.4 Å²	131.4	66%	0.656	72%	0.717	S	S	*	*			trans	71.3	117.2	155.1	19.5	0	0	0	0	120.8
1207	T	27.6	Very low	26.7	Very low	116 Å²	116	129.7 Å²	129.7	71%	0.712	71%	0.714	S	S	*	*			trans	51.8	111.9	145	48.3	0	0	0	0	119.1
1208	S	23.7	Very low	27.2	Very low	108 Å²	108	127.5 Å²	127.5	76%	0.755	71%	0.712	S	S	*	*			cis	77.6	152.4	46.4	-55.5	0	0	0	0	115.1
1209	T	30.1	Very low	27.6	Very low	134 Å²	134	124.4 Å²	124.4	82%	0.822	71%	0.705	S	S	*	*			trans	76.9	167.5	168.3	-14	0	0	0	0	114.9
1210	A	28.5	Very low	28	Very low	76 Å²	76	122.8 Å²	122.8	63%	0.628	71%	0.71	S	S	*	*			trans	71.5	103.3	160.7	0	0	0	0	0	115
1211	I	30.9	Very low	27.8	Very low	148 Å²	148	122.6 Å²	122.6	76%	0.759	71%	0.706	S	S	*	*				95.6	118.4	83.8	-97.9	163	0	0	0	108.1
1212	T	25	Very low	27.5	Very low	109 Å²	109	121.1 Å²	121.1	67%	0.669	71%	0.706	S	S	*	*				53.3	96	91.3	-50.2	0	0	0	0	108.9
1213	M	22.7	Very low	27.4	Very low	137 Å²	137	121 Å²	121	68%	0.675	71%	0.705	S	S	*	*			cis	-155.8	-171.3	19.9	-117.6	178.4	-178.4	0	0	107.4	T1215	M1213-T1215 HydrophobicContact CB-CG2 4.45Å; M1213-T1215 HydrophobicContact SD-CG2 4.3Å
1214	T	23.2	Very low	27	Very low	120 Å²	120	122.8 Å²	122.8	74%	0.736	71%	0.71	S	S	*	*				44.9	169.5	56	-27.6	0	0	0	0	112.3
1215	T	23.1	Very low	26.8	Very low	95 Å²	95	120.7 Å²	120.7	58%	0.583	71%	0.711	S	S	*	*			trans	68.5	132.2	-175.9	75.3	0	0	0	0	113.9	M1213	M1213-T1215 HydrophobicContact CB-CG2 4.45Å; M1213-T1215 HydrophobicContact SD-CG2 4.3Å
1216	M	23.6	Very low	26.8	Very low	150 Å²	150	120.1 Å²	120.1	74%	0.739	71%	0.713	S	S	*	*			cis	-143.4	120.7	-8.3	-121.8	145.7	-173.2	0	0	108.3
1217	T	24.9	Very low	26.9	Very low	109 Å²	109	121 Å²	121	67%	0.669	72%	0.718	S	S	*	*				71.8	140.4	106	60.3	0	0	0	0	113.4
1218	T	37	Very low	26.6	Very low	127 Å²	127	124.5 Å²	124.5	78%	0.779	72%	0.724	S	S	*	*	S	Bend	cis	-135.6	157.8	39.6	50.5	0	0	0	0	112.4
1219	T	34.7	Very low	27	Very low	107 Å²	107	124.1 Å²	124.1	66%	0.656	72%	0.718	S	S	*	*			cis	-160.4	141.4	-17.8	16.3	0	0	0	0	108.1
1220	A	32.9	Very low	26.7	Very low	98 Å²	98	124.6 Å²	124.6	81%	0.81	71%	0.714	S	S	*	*			trans	-93.6	135.4	140.9	0	0	0	0	0	107
1221	P	24.5	Very low	26.5	Very low	97 Å²	97	127.2 Å²	127.2	63%	0.63	72%	0.716	S	S	*	*				-126.3	152	103	27.9	-14.7	0	0	0	111.7
1222	I	22.3	Very low	26.1	Very low	152 Å²	152	123.3 Å²	123.3	78%	0.779	70%	0.703	S	S	*	*				55.5	132.8	82	-40.9	163.8	0	0	0	113.3
1223	L	21.8	Very low	26	Very low	132 Å²	132	122.7 Å²	122.7	69%	0.691	69%	0.692	S	S	*	*			trans	84.1	153.7	161.3	-126.1	66.4	0	0	0	118.2
1224	E	23.2	Very low	26.1	Very low	156 Å²	156	118.8 Å²	118.8	73%	0.729	68%	0.678	S	S	*	*			trans	25.9	113.5	149.4	-76.2	148.8	-147.7	0	0	117.3
1225	T	27.5	Very low	26.7	Very low	122 Å²	122	116 Å²	116	75%	0.748	66%	0.662	S	S	*	*			cis	-153	153.1	45.4	27.9	0	0	0	0	112.1
1226	V	28	Very low	26.9	Very low	123 Å²	123	113.4 Å²	113.4	75%	0.745	65%	0.646	S	S	*	*				39.1	116.4	91.6	-167	0	0	0	0	111.4
1227	T	29.3	Very low	27.2	Very low	125 Å²	125	114 Å²	114	77%	0.767	65%	0.651	S	S	*	*			cis	-140	159.9	20	-7.5	0	0	0	0	108.1
1228	K	22.9	Very low	27.2	Very low	190 Å²	190	110.7 Å²	110.7	83%	0.826	63%	0.631	S	S	*	*			cis	66.6	144.4	23.5	-87	-172.3	176.4	-177.1	0	116.2
1229	P	31	Very low	26.6	Very low	99 Å²	99	110.1 Å²	110.1	64%	0.643	62%	0.622	S	S	*	*			cis	-126.4	-149.5	-38.4	28.3	-4.5	0	0	0	109.1
1230	I	23.1	Very low	26.1	Very low	144 Å²	144	110.3 Å²	110.3	74%	0.738	62%	0.619	S	S	*	*			trans	43.5	124.1	133.9	-76.2	158.5	0	0	0	117.6
1231	I	24.4	Very low	25.6	Very low	131 Å²	131	108.8 Å²	108.8	67%	0.672	60%	0.602	S	S	*	*			cis	-148.8	-159.2	26.7	-138	164.5	0	0	0	113
1232	S	23.4	Very low	25.5	Very low	67 Å²	67	105.6 Å²	105.6	47%	0.469	58%	0.584	S	S	.	*			trans	-75.4	179.2	-157.1	40.5	0	0	0	0	120.2
1233	E	23.2	Very low	25.9	Very low	95 Å²	95	101.9 Å²	101.9	44%	0.444	57%	0.569	S	S	.	*			trans	75.9	146.1	179.1	-45.1	99.7	-117.4	0	0	116.8	N830 Y831	N830-E1233 CarbonylContact O-C 3.26Å; N830-E1233 WeakPolarHBondContact O-CB 3.22Å; Y831-E1233 HydrophobicContact CD2-CB 3.82Å; Y831-E1233 HydrophobicContact CD2-CG 3.41Å; Y831-E1233 VanDerWaalsContact CD2-CG 3.41Å; Y831-E1233 HydrophobicContact CE2-CG 4.19Å; Y831-E1233 HydrophobicContact CG-CB 4.34Å; Y831-E1233 HydrophobicContact CG-CG 3.98Å
1234	C	25.3	Very low	25.9	Very low	56 Å²	56	103.7 Å²	103.7	38%	0.378	57%	0.567	S	S	.	*			cis	172.8	-148.1	16.7	-44.4	0	0	0	0	109.3	N830 Y831 Y832	N830-C1234 WeakPolarHBondContact ND2-CA 3.39Å; N830-C1234 PolarHBondContact ND2-N 2.8Å; N830-C1234 VanDerWaalsContact ND2-N 3.15Å; N830-C1234 PolarHBondContact ND2-O 3.02Å; N830-C1234 WeakPolarHBondContact O-CA 3.49Å; N830-C1234 PolarHBondContact O-N 2.88Å; Y831-C1234 HydrophobicContact CD2-CB 4.48Å; Y832-C1234 HydrophobicContact CD1-CB 4.19Å; Y832-C1234 HydrophobicContact CD2-CB 3.37Å; Y832-C1234 HydrophobicContact CE1-CB 4.17Å; Y832-C1234 HydrophobicContact CE2-CB 3.37Å; Y832-C1234 WeakPolarHBondContact CE2-SG 3.27Å; Y832-C1234 HydrophobicContact CG-CB 3.78Å
1235	P	34.5	Very low	26	Very low	61 Å²	61	101.8 Å²	101.8	40%	0.396	56%	0.561	S	S	.	*			cis	-142.2	-169.6	5.4	48.3	-32.1	0	0	0	117.8	N830 Y831 Y832	N830-P1235 HydrophobicContact CB-CB 4.47Å; N830-P1235 WeakPolarHBondContact OD1-CB 3.3Å; N830-P1235 VanDerWaalsContact OD1-CG 3.22Å; N830-P1235 WeakPolarHBondContact OD1-CG 3.33Å; Y831-P1235 VanDerWaalsContact C-CA 3.41Å; Y831-P1235 CarbonylContact O-C 3.12Å; Y831-P1235 WeakPolarHBondContact O-CA 3.44Å; Y831-P1235 WeakPolarHBondContact O-CB 3.11Å; Y832-P1235 VanDerWaalsContact CD1-C 3.45Å; Y832-P1235 VanDerWaalsContact CD1-O 3.24Å; Y832-P1235 WeakPolarHBondContact CD1-O 3.28Å; Y832-P1235 WeakPolarHBondContact CE1-O 3.45Å
1236	T	28.3	Very low	26.1	Very low	41 Å²	41	100.5 Å²	100.5	25%	0.252	56%	0.557	S	S	.	*			trans	-94.5	140.4	167.4	-29.2	0	0	0	0	115.5	Y831 Y832 D833	Y831-T1236 PolarHBondContact O-N 3.31Å; Y831-T1236 PolarHBondContact O-OG1 2.72Å; Y832-T1236 VanDerWaalsContact C-OG1 3.26Å; Y832-T1236 VanDerWaalsContact CA-OG1 3.26Å; Y832-T1236 WeakPolarHBondContact CA-OG1 3.47Å; D833-T1236 WeakPolarHBondContact CA-OG1 3.47Å; D833-T1236 PolarHBondContact N-OG1 2.74Å; D833-T1236 VanDerWaalsContact N-OG1 3.13Å; D833-T1236 VanDerWaalsContact O-CG2 3.31Å; D833-T1236 WeakPolarHBondContact O-CG2 3.36Å; D833-T1236 PolarHBondContact O-OG1 3.22Å
1237	L	29.8	Very low	26	Very low	163 Å²	163	100.5 Å²	100.5	85%	0.853	55%	0.549	S	S	*	.				-161.2	145.1	119	-114.4	177.9	0	0	0	113.1
1238	T	24.9	Very low	26.1	Very low	39 Å²	39	100.2 Å²	100.2	24%	0.239	55%	0.549	C	S	.	.			trans	-91.7	-179.8	-177.1	-61	0	0	0	0	110.6	S834 N835 N836	S834-T1238 VanDerWaalsContact C-OG1 3.26Å; S834-T1238 PolarHBondContact O-OG1 2.88Å; N835-T1238 PolarHBondContact N-OG1 2.88Å; N836-T1238 VanDerWaalsContact C-CG2 3.44Å
1239	L	24.4	Very low	26.4	Very low	115 Å²	115	99.2 Å²	99.2	60%	0.602	55%	0.547	S	S	*	.			trans	83.6	142.6	159.2	-58	-179	0	0	0	114.7	N836 N837	N836-L1239 WeakPolarHBondContact O-CD2 3.29Å; N837-L1239 WeakPolarHBondContact O-CD2 3.41Å
1240	L	23.4	Very low	26.2	Very low	111 Å²	111	102.5 Å²	102.5	58%	0.581	55%	0.551	S	S	*	*			cis	-144.7	164	-11.1	-72.2	123.6	0	0	0	107.5	N837 R838 D839	N837-L1240 WeakPolarHBondContact O-CD2 3.21Å; R838-L1240 HydrophobicContact CB-CD2 4.36Å; R838-L1240 VanDerWaalsContact O-CB 3.28Å; R838-L1240 WeakPolarHBondContact O-CB 3.36Å; R838-L1240 WeakPolarHBondContact O-CD2 3.42Å; D839-L1240 CarbonylContact O-C 3.4Å; D839-L1240 WeakPolarHBondContact O-CB 3.33Å
1241	S	21.6	Very low	26.6	Very low	66 Å²	66	102 Å²	102	46%	0.462	55%	0.554	S	S	.	*			trans	-125.7	-27.9	-141.2	75.6	0	0	0	0	128.7	R838 D839 D840 N841	R838-S1241 VanDerWaalsContact C-N 3.25Å; D839-S1241 PolarHBondContact N-OG 3.09Å; D839-S1241 PolarHBondContact O-N 3.39Å; D840-S1241 VanDerWaalsContact C-C 3.46Å; D840-S1241 CarbonylContact O-C 3.55Å; N841-S1241 WeakPolarHBondContact CB-O 3.21Å
1242	A	23.4	Very low	26.9	Very low	30 Å²	30	103.1 Å²	103.1	25%	0.248	55%	0.551	C	S	.	*			trans	-112.1	115.3	-146.4	0	0	0	0	0	123.7	D839 D840 N841	D839-A1242 VanDerWaalsContact C-N 3.32Å; D839-A1242 HydrophobicContact CB-CB 4.17Å; D839-A1242 VanDerWaalsContact OD1-CB 3.28Å; D839-A1242 WeakPolarHBondContact OD1-CB 3.2Å; D840-A1242 VanDerWaalsContact C-CA 3.49Å; D840-A1242 CarbonylContact C-O 2.81Å; D840-A1242 VanDerWaalsContact C-O 3.31Å; D840-A1242 VanDerWaalsContact CA-CA 3.49Å; D840-A1242 WeakPolarHBondContact CA-O 3.35Å; D840-A1242 WeakPolarHBondContact CB-O 3.47Å; D840-A1242 VanDerWaalsContact N-N 3.1Å; D840-A1242 PolarHBondContact O-N 3.05Å; N841-A1242 VanDerWaalsContact CG-C 3.47Å; N841-A1242 PolarHBondContact N-O 3.12Å; N841-A1242 VanDerWaalsContact N-O 3.09Å
1243	P	30.4	Very low	27.3	Very low	73 Å²	73	106.5 Å²	106.5	47%	0.474	56%	0.559	S	S	.	*	B	Isolated β-bridge	trans	-51.4	143	-164.7	-2.3	0.5	0	0	0	132	N841 S842 Q843	N841-P1243 VanDerWaalsContact CA-N 3.31Å; N841-P1243 HydrophobicContact CB-CB 3.81Å; N841-P1243 HydrophobicContact CB-CG 3.74Å; N841-P1243 VanDerWaalsContact N-N 3.14Å; N841-P1243 WeakPolarHBondContact ND2-CA 3.48Å; N841-P1243 WeakPolarHBondContact ND2-CB 3.47Å; N841-P1243 WeakPolarHBondContact ND2-CD 3.2Å; N841-P1243 WeakPolarHBondContact ND2-CG 3.07Å; N841-P1243 PolarHBondContact ND2-O 3.36Å; N841-P1243 WeakPolarHBondContact O-CA 3.11Å; N841-P1243 WeakPolarHBondContact OD1-CA 3.48Å; N841-P1243 WeakPolarHBondContact OD1-CB 3.42Å; N841-P1243 WeakPolarHBondContact OD1-CD 3.15Å; N841-P1243 WeakPolarHBondContact OD1-CG 3.17Å; S842-P1243 VanDerWaalsContact C-CB 3.49Å; S842-P1243 WeakPolarHBondContact O-CB 3.26Å; Q843-P1243 HydrophobicContact CB-CB 4.33Å; Q843-P1243 HydrophobicContact CG-CB 3.54Å
1244	R	22.9	Very low	27.7	Very low	170 Å²	170	106.9 Å²	106.9	64%	0.642	57%	0.573	S	S	*	*			trans	-157.5	159.3	154.1	-71.4	99.8	-150.2	-95.9	-4.1	111.4	N841 S842	N841-R1244 PolarHBondContact O-N 3.13Å; S842-R1244 VanDerWaalsContact CA-O 3.24Å; S842-R1244 WeakPolarHBondContact CA-O 3.38Å; S842-R1244 WeakPolarHBondContact CB-O 3.23Å
1245	I	25	Very low	28.5	Very low	117 Å²	117	109.5 Å²	109.5	60%	0.6	58%	0.58	S	S	*	*			cis	-163.1	175.7	-2.2	-119.5	173.5	0	0	0	111
1246	S	28.5	Very low	28.2	Very low	95 Å²	95	113.2 Å²	113.2	66%	0.664	59%	0.591	S	S	*	*			trans	69.2	129.8	168.9	57.9	0	0	0	0	123.2	F844	F844-S1246 WeakPolarHBondContact CD2-O 3.32Å; F844-S1246 VanDerWaalsContact CE2-CA 3.5Å; F844-S1246 VanDerWaalsContact CE2-N 3.31Å; F844-S1246 WeakPolarHBondContact CE2-O 3.47Å
1247	Q	25.6	Very low	28	Very low	123 Å²	123	116.8 Å²	116.8	58%	0.575	61%	0.609	S	S	*	*			trans	-109.8	148	-171	-160.6	166.7	27.5	0	0	112.8	F844 N845	F844-Q1247 HydrophobicContact CD1-CB 3.63Å; F844-Q1247 VanDerWaalsContact CD1-CD 3.45Å; F844-Q1247 HydrophobicContact CD1-CG 3.4Å; F844-Q1247 HydrophobicContact CD2-CB 4.24Å; F844-Q1247 HydrophobicContact CE1-CB 3.39Å; F844-Q1247 HydrophobicContact CE1-CG 3.63Å; F844-Q1247 HydrophobicContact CE2-CB 4.11Å; F844-Q1247 HydrophobicContact CG-CB 4.16Å; F844-Q1247 HydrophobicContact CG-CG 4.04Å; F844-Q1247 HydrophobicContact CZ-CB 3.7Å; F844-Q1247 HydrophobicContact CZ-CG 4.4Å; N845-Q1247 PolarHBondContact O-NE2 2.82Å; N845-Q1247 VanDerWaalsContact O-NE2 3.12Å
1248	P	31.9	Very low	27.9	Very low	119 Å²	119	115.1 Å²	115.1	77%	0.773	60%	0.6	S	S	*	*			trans	-115.8	159.2	154.9	-0.6	22.7	0	0	0	114.5
1249	H	29.2	Very low	27.9	Very low	169 Å²	169	124.5 Å²	124.5	78%	0.782	63%	0.631	S	S	*	*			trans	-76.4	138.6	171	-86.9	-137.8	0	0	0	110.9
1250	K	28.1	Very low	28	Very low	168 Å²	168	124.5 Å²	124.5	73%	0.73	63%	0.631	S	S	*	*				51.2	124.5	87.2	-71.8	-165.9	173.1	-164.4	0	115.9
1251	V	31	Very low	28.2	Very low	132 Å²	132	127.3 Å²	127.3	80%	0.8	64%	0.639	S	S	*	*			trans	153.9	135.3	133.4	151.8	0	0	0	0	110.1
1252	Y	29.8	Very low	28.4	Very low	155 Å²	155	129 Å²	129	61%	0.608	65%	0.651	S	S	*	*			cis	-176.8	134	-18.9	-148	-102.3	0	0	0	110.4
1253	Q	31.5	Very low	28.5	Very low	138 Å²	138	134.9 Å²	134.9	65%	0.645	67%	0.673	S	S	*	*	S	Bend	trans	52	105.3	163	-71.6	176.1	-17.6	0	0	118.5	E1255	Q1253-E1255 VanDerWaalsContact C-CD 3.44Å; Q1253-E1255 VanDerWaalsContact C-OE1 3.25Å; Q1253-E1255 VanDerWaalsContact CA-N 3.34Å; Q1253-E1255 PolarHBondContact N-OE2 3.46Å
1254	S	33.2	Very low	28.3	Very low	103 Å²	103	137.2 Å²	137.2	72%	0.72	68%	0.682	S	S	*	*	S	Bend		-69.1	-43.5	74.6	-165.3	0	0	0	0	115.3
1255	E	42.1	Very low	28.4	Very low	112 Å²	112	134.1 Å²	134.1	52%	0.523	69%	0.686	S	S	.	*			cis	-149.6	115	-33.7	-103.6	142.3	-136	0	0	100.3	Q1253	Q1253-E1255 VanDerWaalsContact C-CD 3.44Å; Q1253-E1255 VanDerWaalsContact C-OE1 3.25Å; Q1253-E1255 VanDerWaalsContact CA-N 3.34Å; Q1253-E1255 PolarHBondContact N-OE2 3.46Å
1256	Q	26.6	Very low	28.4	Very low	138 Å²	138	139 Å²	139	65%	0.645	70%	0.697	S	S	*	*				63.1	130.5	70.1	-60.9	-177.3	-87.7	0	0	111.9
1257	D	25.8	Very low	28.4	Very low	117 Å²	117	141.9 Å²	141.9	63%	0.626	70%	0.7	S	S	*	*			cis	-158.5	160.7	-7.4	-106.8	-34.9	0	0	0	109.4
1258	I	26.2	Very low	28.5	Very low	127 Å²	127	143.2 Å²	143.2	65%	0.651	71%	0.706	S	S	*	*			trans	45.3	114.6	138.7	-59	173.5	0	0	0	119.6
1259	W	25	Very low	28.2	Very low	237 Å²	237	144.3 Å²	144.3	90%	0.898	70%	0.701	S	S	*	*			trans	93.4	118.9	142.5	-74.6	9.2	0	0	0	125
1260	D	26.1	Very low	28.1	Very low	114 Å²	114	143.7 Å²	143.7	61%	0.61	70%	0.698	S	S	*	*				71	128.1	126.1	-107	6.5	0	0	0	126.8
1261	K	28.4	Very low	28	Very low	170 Å²	170	140.3 Å²	140.3	74%	0.739	69%	0.688	S	S	*	*			trans	53.9	142.2	137.8	-68.7	175	-174.7	78.8	0	121.1
1262	S	25.5	Very low	27.9	Very low	103 Å²	103	137.5 Å²	137.5	72%	0.72	67%	0.669	S	S	*	*			cis	-170.7	168.5	-3.7	63.5	0	0	0	0	114.8
1263	Q	26.4	Very low	27.8	Very low	153 Å²	153	136.1 Å²	136.1	72%	0.715	67%	0.672	S	S	*	*			trans	72.4	124.4	151.8	-70.4	-82.8	-68.6	0	0	123.7
1264	N	25.4	Very low	27.6	Very low	121 Å²	121	135.2 Å²	135.2	65%	0.647	67%	0.668	S	S	*	*			trans	61.8	122.7	147.4	-55.3	-29.5	0	0	0	120.5
1265	S	24.5	Very low	27.4	Very low	105 Å²	105	136.8 Å²	136.8	73%	0.734	66%	0.663	S	S	*	*				-174.3	149.3	66.1	-69.9	0	0	0	0	116
1266	R	26.3	Very low	26.7	Very low	220 Å²	220	136.1 Å²	136.1	83%	0.83	67%	0.669	S	S	*	*			trans	74.7	129.4	148.4	-77.6	179.5	-178.6	-162.7	0.9	122.1
1267	Q	28	Very low	26.7	Very low	155 Å²	155	139.3 Å²	139.3	72%	0.724	68%	0.677	S	S	*	*			trans	73.9	134.4	148.8	-67.3	174.4	-7	0	0	117.1
1268	Q	27.1	Very low	26.7	Very low	151 Å²	151	143.7 Å²	143.7	71%	0.706	68%	0.684	S	S	*	*			cis	-156.9	142.1	-5.6	-135.6	171.7	22.3	0	0	112.9
1269	Q	26.4	Very low	26.9	Very low	143 Å²	143	144 Å²	144	67%	0.668	68%	0.683	S	S	*	*			trans	66.7	156.4	150.4	-91.4	-171.2	31.9	0	0	122.4
1270	Q	26.8	Very low	27.1	Very low	155 Å²	155	139.7 Å²	139.7	72%	0.724	67%	0.672	S	S	*	*			trans	71.1	105.8	155	-73.5	172	56.2	0	0	120
1271	N	26.7	Very low	27.2	Very low	97 Å²	97	140.7 Å²	140.7	52%	0.519	68%	0.676	S	S	.	*			trans	-159.2	146.1	143.7	-111	1	0	0	0	105.8	D853	D853-N1271 PolarHBondContact OD1-ND2 3.24Å
1272	N	27.7	Very low	27.2	Very low	74 Å²	74	137.4 Å²	137.4	40%	0.396	68%	0.675	S	S	.	*			cis	-158.6	-167	-4.1	-139.9	-40.3	0	0	0	108.4	D853 K854	D853-N1272 PolarHBondContact OD1-ND2 2.85Å; D853-N1272 VanDerWaalsContact OD1-ND2 3.13Å; D853-N1272 PolarHBondContact OD2-ND2 3.23Å; K854-N1272 WeakPolarHBondContact CE-ND2 3.16Å; K854-N1272 VanDerWaalsContact NZ-CG 3.35Å; K854-N1272 PolarHBondContact NZ-ND2 2.88Å; K854-N1272 VanDerWaalsContact NZ-ND2 3.12Å; K854-N1272 PolarHBondContact NZ-OD1 2.91Å
1273	N	27.6	Very low	27.3	Very low	126 Å²	126	134.3 Å²	134.3	67%	0.674	65%	0.653	S	S	*	*			trans	82.7	139.2	168	-58.7	-38.3	0	0	0	117.2
1274	Q	28.2	Very low	27.5	Very low	118 Å²	118	131.3 Å²	131.3	55%	0.551	64%	0.642	S	S	*	*			cis	-159.1	168.5	-3.3	-129	164.5	57.9	0	0	113.7
1275	H	28.2	Very low	27.7	Very low	136 Å²	136	129.3 Å²	129.3	63%	0.63	64%	0.638	S	S	*	*			trans	76.4	152.7	160.8	-76.5	-57.3	0	0	0	118.5	K1912	H1275-K1912 PolarHBondContact NE2-NZ 2.93Å; H1275-K1912 VanDerWaalsContact NE2-NZ 3.18Å
1276	P	28.5	Very low	27.9	Very low	99 Å²	99	129.4 Å²	129.4	64%	0.643	63%	0.626	S	S	*	*				-127.8	170.8	-129.9	41.3	-27	0	0	0	117.1
1277	Y	24.8	Very low	28	Very low	205 Å²	205	125.1 Å²	125.1	80%	0.804	62%	0.616	S	S	*	*			trans	10.3	130.6	144.9	-68.3	-73	0	0	0	117.9
1278	R	27.1	Very low	27.9	Very low	209 Å²	209	125.6 Å²	125.6	79%	0.789	62%	0.615	S	S	*	*			cis	-152.9	165.8	24.5	-101.6	163.8	168.5	-166.1	-5.4	107.8
1279	H	30.5	Very low	27.7	Very low	134 Å²	134	123.6 Å²	123.6	62%	0.62	62%	0.617	S	S	*	*			cis	-150	139.4	2.7	-108.2	-64.1	0	0	0	104.1
1280	Q	29.1	Very low	27.7	Very low	145 Å²	145	124.2 Å²	124.2	68%	0.678	62%	0.624	S	S	*	*				56.8	132.7	51.1	-70.7	-164	-16.7	0	0	115.2
1281	I	27.4	Very low	27.7	Very low	135 Å²	135	125.4 Å²	125.4	69%	0.692	63%	0.627	S	S	*	*			cis	-164.6	150.4	-14.3	-121.2	164.9	0	0	0	107.7
1282	S	28.7	Very low	27.6	Very low	101 Å²	101	126.8 Å²	126.8	71%	0.706	63%	0.634	S	S	*	*			trans	179.7	109.9	144.7	-110.9	0	0	0	0	107.7
1283	S	28.6	Very low	27.4	Very low	38 Å²	38	131.2 Å²	131.2	27%	0.266	65%	0.652	S	S	.	*				73.7	125.9	66.7	-66.2	0	0	0	0	113.3
1284	D	28.8	Very low	27.3	Very low	90 Å²	90	129.1 Å²	129.1	48%	0.481	65%	0.647	S	S	.	*			cis	-165.9	-160.7	-13.2	-135.2	-67.4	0	0	0	110.5	Y742	Y742-D1284 HydrophobicContact CD1-CB 3.29Å; Y742-D1284 HydrophobicContact CE1-CB 4.21Å; Y742-D1284 HydrophobicContact CG-CB 3.55Å
1285	S	29.6	Very low	27.1	Very low	79 Å²	79	130.3 Å²	130.3	55%	0.552	66%	0.657	S	S	*	*			trans	-133.5	-179.6	171.3	-166.2	0	0	0	0	112.9
1286	Q	29.2	Very low	27	Very low	107 Å²	107	129.7 Å²	129.7	50%	0.5	66%	0.664	S	S	.	*			trans	-135.9	137.6	-172.2	-97.6	-156.6	10.6	0	0	115.6	V741	V741-Q1286 HydrophobicContact CG1-CG 3.34Å; V741-Q1286 VanDerWaalsContact CG1-NE2 3.35Å
1287	Q	28.5	Very low	26.9	Very low	130 Å²	130	130.3 Å²	130.3	61%	0.607	67%	0.67	S	S	*	*			trans	62.6	156.4	146.6	-61.4	-165.8	60.6	0	0	117.6
1288	K	26.8	Very low	26.7	Very low	165 Å²	165	126.1 Å²	126.1	72%	0.717	67%	0.671	S	S	*	*			cis	-152.2	166.5	-17.2	-123.3	179.7	-170.6	145.9	0	109.6
1289	C	21.8	Very low	27	Very low	110 Å²	110	122.4 Å²	122.4	74%	0.743	67%	0.674	S	S	*	*			trans	-1.4	133	160.7	-50.8	0	0	0	0	119.6
1290	L	27.9	Very low	26.7	Very low	156 Å²	156	119.5 Å²	119.5	82%	0.817	68%	0.68	S	S	*	*				-161	164	113.3	-106.7	171.1	0	0	0	113.2
1291	K	26.8	Very low	26.6	Very low	179 Å²	179	117.4 Å²	117.4	78%	0.778	69%	0.688	S	S	*	*			trans	-28.4	165.5	163	-71.8	176.4	-177.4	-178.3	0	116.9
1292	L	23.8	Very low	26.3	Very low	126 Å²	126	116 Å²	116	66%	0.66	69%	0.69	S	S	*	*			cis	170.9	148.6	-16.5	-169.8	81.5	0	0	0	104.3
1293	E	24.2	Very low	26.1	Very low	167 Å²	167	116.3 Å²	116.3	78%	0.78	69%	0.692	S	S	*	*			trans	59.8	171.5	165.7	-77	158.8	-159	0	0	117.8
1294	S	24	Very low	26	Very low	82 Å²	82	126.6 Å²	126.6	57%	0.573	73%	0.725	S	S	*	*			cis	-163.6	161.6	-48.5	61.2	0	0	0	0	109.7
1295	N	25.4	Very low	25.7	Very low	143 Å²	143	127.2 Å²	127.2	77%	0.765	74%	0.742	S	S	*	*			trans	65.9	149.5	161.3	-57.2	-36.9	0	0	0	116.7
1296	T	25.9	Very low	25.4	Very low	124 Å²	124	129 Å²	129	76%	0.761	75%	0.754	S	S	*	*			cis	-150.8	148.2	-8.4	11.7	0	0	0	0	106.6
1297	S	25.6	Very low	25.2	Very low	112 Å²	112	129.6 Å²	129.6	78%	0.783	77%	0.766	S	S	*	*				176.4	169	80.8	45	0	0	0	0	112.3
1298	S	21.8	Very low	25.2	Very low	116 Å²	116	128.8 Å²	128.8	81%	0.811	77%	0.769	S	S	*	*			trans	-135.3	-174.1	165.4	-60.8	0	0	0	0	106.7
1299	P	31.5	Very low	25.1	Very low	132 Å²	132	129.2 Å²	129.2	86%	0.857	77%	0.771	S	S	*	*			cis	-132.1	-165.4	-6	42.3	-25.1	0	0	0	112.8
1300	G	24.9	Very low	25.3	Very low	73 Å²	73	127 Å²	127	75%	0.753	76%	0.757	S	S	*	*			trans	159.2	102.7	155.3	0	0	0	0	0	120.9
1301	A	26.3	Very low	25.3	Very low	101 Å²	101	121.4 Å²	121.4	84%	0.835	73%	0.73	S	S	*	*			trans	54.3	107.5	141	0	0	0	0	0	123.6
1302	S	23	Very low	25.5	Very low	105 Å²	105	116.4 Å²	116.4	73%	0.734	72%	0.716	S	S	*	*				79.6	111.1	122	-153.5	0	0	0	0	122.3
1303	S	24.4	Very low	25.7	Very low	107 Å²	107	113.3 Å²	113.3	75%	0.748	70%	0.695	S	S	*	*				48.6	88.5	125.9	-47.8	0	0	0	0	120
1304	R	24.7	Very low	25.7	Very low	255 Å²	255	111 Å²	111	96%	0.962	69%	0.688	S	S	*	*			trans	-174	93.6	143.9	-106.2	169.5	82.9	-167.1	6.5	111.9
1305	A	24	Very low	25.8	Very low	103 Å²	103	113.6 Å²	113.6	85%	0.851	70%	0.701	S	S	*	*			trans	-157.8	83.4	170.6	0	0	0	0	0	112
1306	S	23.5	Very low	25.7	Very low	115 Å²	115	110.5 Å²	110.5	80%	0.804	70%	0.695	S	S	*	*			trans	-142.5	36.7	174.2	65.5	0	0	0	0	112.4
1307	T	25.1	Very low	26	Very low	121 Å²	121	109.4 Å²	109.4	74%	0.742	69%	0.69	S	S	*	*	S	Bend	trans	-153.4	127	176.4	43.7	0	0	0	0	110.7
1308	V	27	Very low	26.1	Very low	112 Å²	112	109.7 Å²	109.7	68%	0.679	68%	0.681	S	S	*	*			trans	65.8	118.6	157.5	-178.1	0	0	0	0	117.4
1309	F	26.3	Very low	26.2	Very low	174 Å²	174	105.8 Å²	105.8	76%	0.763	66%	0.66	S	S	*	*				-164.2	105	110.9	-106.7	-62.4	0	0	0	114.2	P1311	F1309-P1311 HydrophobicContact CD1-CB 4.31Å; F1309-P1311 HydrophobicContact CD1-CG 3.83Å; F1309-P1311 HydrophobicContact CE1-CB 4.42Å; F1309-P1311 HydrophobicContact CE1-CG 4.31Å
1310	C	25.3	Very low	26	Very low	65 Å²	65	101 Å²	101	44%	0.439	63%	0.629	S	S	.	*			trans	-103.3	119.3	131.6	-62.2	0	0	0	0	105.8	L596	L596-C1310 HydrophobicContact CD1-CB 4Å; L596-C1310 HydrophobicContact CD2-CB 4.5Å; L596-C1310 HydrophobicContact CG-CB 3.94Å
1311	P	28	Very low	26	Very low	38 Å²	38	104.8 Å²	104.8	25%	0.247	62%	0.621	C	S	.	*			trans	-66.8	-178.9	165.5	-11.7	25.1	0	0	0	111	L597 Q598 F1309	L597-P1311 CarbonylContact C-O 3.57Å; L597-P1311 WeakPolarHBondContact CA-O 3.4Å; L597-P1311 PolarHBondContact N-O 3.48Å; Q598-P1311 PolarHBondContact N-O 3.47Å; Q598-P1311 WeakPolarHBondContact O-CB 2.23Å; Q598-P1311 WeakPolarHBondContact O-CD 2.21Å; Q598-P1311 WeakPolarHBondContact O-CG 2.45Å; F1309-P1311 HydrophobicContact CD1-CB 4.31Å; F1309-P1311 HydrophobicContact CD1-CG 3.83Å; F1309-P1311 HydrophobicContact CE1-CB 4.42Å; F1309-P1311 HydrophobicContact CE1-CG 4.31Å
1312	P	29.9	Very low	26.1	Very low	74 Å²	74	106.1 Å²	106.1	48%	0.481	61%	0.613	S	S	.	*			trans	-80.4	149.6	-159.9	31.3	-37.2	0	0	0	118.5	A595 L597 Q598	A595-P1312 HydrophobicContact CB-CB 4.24Å; L597-P1312 CarbonylContact C-O 3.32Å; L597-P1312 VanDerWaalsContact C-O 3.28Å; L597-P1312 VanDerWaalsContact N-C 3.31Å; L597-P1312 CarbonylContact O-C 3.45Å; L597-P1312 VanDerWaalsContact O-O 3.13Å; Q598-P1312 PolarHBondContact N-O 3.3Å
1313	W	28.6	Very low	26.2	Very low	61 Å²	61	104.3 Å²	104.3	23%	0.231	61%	0.605	C	S	.	*			trans	-103.1	113.7	156.9	-112.3	-3.4	0	0	0	106	A595 L597 Q598 Y1951 N1955 Y1957	A595-W1313 WeakPolarHBondContact CB-O 2.2Å; L597-W1313 HydrophobicContact CB-CB 3.73Å; L597-W1313 HydrophobicContact CB-CD2 3.59Å; L597-W1313 HydrophobicContact CB-CE3 4.05Å; L597-W1313 HydrophobicContact CB-CG 3.45Å; L597-W1313 VanDerWaalsContact CB-CG 3.45Å; L597-W1313 HydrophobicContact CD1-CD2 4Å; L597-W1313 HydrophobicContact CD1-CE3 3.58Å; L597-W1313 HydrophobicContact CD1-CH2 4.47Å; L597-W1313 HydrophobicContact CD1-CZ3 3.85Å; L597-W1313 HydrophobicContact CG-CD2 4.44Å; L597-W1313 HydrophobicContact CG-CE3 4.47Å; L597-W1313 WeakPolarHBondContact O-CA 3.41Å; L597-W1313 WeakPolarHBondContact O-CB 3.39Å; L597-W1313 PolarHBondContact O-N 2.93Å; Q598-W1313 VanDerWaalsContact NE2-NE1 3.17Å; W1313-Y1951 HydrophobicContact CE3-CE2 4.31Å; W1313-Y1951 AromaticContact CH2-CD2 3.78Å; W1313-Y1951 HydrophobicContact CH2-CD2 3.78Å; W1313-Y1951 HydrophobicContact CH2-CE1 4.09Å; W1313-Y1951 AromaticContact CH2-CE2 3.15Å; W1313-Y1951 HydrophobicContact CH2-CE2 3.15Å; W1313-Y1951 HydrophobicContact CH2-CG 4.47Å; W1313-Y1951 AromaticContact CH2-CZ 3.32Å; W1313-Y1951 WeakPolarHBondContact CH2-OH 3.3Å; W1313-Y1951 HydrophobicContact CZ2-CE2 4.08Å; W1313-Y1951 AromaticContact CZ3-CD2 3.47Å; W1313-Y1951 HydrophobicContact CZ3-CD2 3.47Å; W1313-Y1951 VanDerWaalsContact CZ3-CD2 3.47Å; W1313-Y1951 AromaticContact CZ3-CE2 3.28Å; W1313-Y1951 HydrophobicContact CZ3-CE2 3.28Å; W1313-Y1951 HydrophobicContact CZ3-CG 4.29Å; W1313-Y1951 AromaticContact CZ3-CZ 3.95Å; W1313-N1955 VanDerWaalsContact CH2-CG 3.48Å; W1313-N1955 VanDerWaalsContact CH2-ND2 3.29Å; W1313-N1955 WeakPolarHBondContact CH2-ND2 3.07Å; W1313-N1955 VanDerWaalsContact CH2-OD1 3.23Å; W1313-N1955 WeakPolarHBondContact CH2-OD1 3.45Å; W1313-N1955 VanDerWaalsContact CZ3-ND2 3.27Å; W1313-N1955 WeakPolarHBondContact CZ3-ND2 3.22Å; W1313-Y1957 VanDerWaalsContact CZ2-OH 3.25Å; W1313-Y1957 WeakPolarHBondContact CZ2-OH 2.85Å
1314	D	25.2	Very low	26.3	Very low	118 Å²	118	102.4 Å²	102.4	63%	0.631	59%	0.586	S	S	*	*			trans	-111.1	123.6	159.1	-78	-58.6	0	0	0	108.7
1315	T	26	Very low	26.4	Very low	137 Å²	137	97.3 Å²	97.3	84%	0.84	58%	0.577	S	S	*	*				168.5	142.5	127.4	-66.3	0	0	0	0	109.8
1316	A	23.7	Very low	26.6	Very low	77 Å²	77	99.7 Å²	99.7	64%	0.636	58%	0.575	S	S	*	*	S	Bend	trans	74.9	135.8	172.2	0	0	0	0	0	116.1
1317	P	30.7	Very low	26.6	Very low	102 Å²	102	101 Å²	101	66%	0.662	57%	0.566	S	S	*	*				-126.2	135.2	-92.9	24	-6.1	0	0	0	113	G1319	P1317-G1319 PolarHBondContact O-N 2.82Å; P1317-G1319 VanDerWaalsContact O-N 3.09Å
1318	I	28.1	Very low	26.6	Very low	117 Å²	117	98.7 Å²	98.7	60%	0.6	55%	0.548	S	S	*	.			trans	-83.6	77	163.6	-55.6	-177.6	0	0	0	107.8
1319	G	23.5	Very low	26.7	Very low	35 Å²	35	100 Å²	100	36%	0.361	55%	0.552	S	S	.	*			trans	-55.5	141.2	157.9	0	0	0	0	0	109.4	P1317 Y1321	P1317-G1319 PolarHBondContact O-N 2.82Å; P1317-G1319 VanDerWaalsContact O-N 3.09Å; G1319-Y1321 PolarHBondContact O-N 3.47Å
1320	P	28.1	Very low	26.8	Very low	31 Å²	31	97 Å²	97	20%	0.201	55%	0.55	C	S	.	.	S	Bend	trans	-91.2	121.1	-139.6	31.5	-34.4	0	0	0	113.6	E1057	E1057-P1320 HydrophobicContact CB-CG 3.74Å
1321	Y	24.5	Very low	26.7	Very low	153 Å²	153	99.4 Å²	99.4	60%	0.6	56%	0.564	S	S	*	*	S	Bend	trans	-135.6	23.2	170	-98.5	-58.1	0	0	0	114.8	S1058 G1319	S1058-Y1321 PolarHBondContact OG-OH 3.34Å; G1319-Y1321 PolarHBondContact O-N 3.47Å
1322	I	28.7	Very low	26.6	Very low	128 Å²	128	107.1 Å²	107.1	66%	0.656	60%	0.595	S	S	*	*	S	Bend	trans	-122.5	-19.9	167.8	-64.6	-175.3	0	0	0	112.7	D1324 L1325	I1322-D1324 VanDerWaalsContact C-N 3.3Å; I1322-D1324 PolarHBondContact O-N 3Å; I1322-L1325 PolarHBondContact O-N 2.84Å
1323	A	25.4	Very low	26.3	Very low	68 Å²	68	108.5 Å²	108.5	56%	0.562	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-60.1	-40.4	166.4	0	0	0	0	0	112.1	L1325 L1326 K1327	A1323-L1325 PolarHBondContact O-N 3.17Å; A1323-L1326 PolarHBondContact O-N 2.57Å; A1323-K1327 PolarHBondContact O-N 3.16Å
1324	D	25.9	Very low	26.1	Very low	67 Å²	67	109.6 Å²	109.6	36%	0.358	62%	0.623	S	S	.	*	G	3₁₀ helix	trans	-65.5	-4.8	-179.6	-96	8.9	0	0	0	115.6	I1322	I1322-D1324 VanDerWaalsContact C-N 3.3Å; I1322-D1324 PolarHBondContact O-N 3Å
1325	L	28.2	Very low	26.3	Very low	148 Å²	148	108.9 Å²	108.9	78%	0.775	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-103.3	2	172.4	-83.9	171.8	0	0	0	114.6	I1322 A1323	I1322-L1325 PolarHBondContact O-N 2.84Å; A1323-L1325 PolarHBondContact O-N 3.17Å
1326	L	27.6	Very low	26.4	Very low	152 Å²	152	106.3 Å²	106.3	80%	0.796	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.3	1.5	169.9	-84.6	-178.7	0	0	0	117	A1323	A1323-L1326 PolarHBondContact O-N 2.57Å
1327	K	24	Very low	26.5	Very low	143 Å²	143	105.9 Å²	105.9	62%	0.622	59%	0.591	S	S	*	*	S	Bend	trans	-165.1	75.6	161	-107.3	151.9	-176.1	177	0	115.8	F1054 L1055 A1323	F1054-K1327 HydrophobicContact CE2-CB 4.22Å; F1054-K1327 HydrophobicContact CE2-CG 3.95Å; F1054-K1327 HydrophobicContact CZ-CB 3.98Å; F1054-K1327 HydrophobicContact CZ-CD 3.93Å; F1054-K1327 HydrophobicContact CZ-CG 3.69Å; L1055-K1327 VanDerWaalsContact CD1-O 3.25Å; L1055-K1327 WeakPolarHBondContact CD1-O 2.22Å; A1323-K1327 PolarHBondContact O-N 3.16Å
1328	L	24.7	Very low	26.4	Very low	72 Å²	72	105 Å²	105	38%	0.377	58%	0.58	S	S	.	*			trans	-142.8	113.6	142.4	-117.2	177.4	0	0	0	111.3	F1054 L1055	F1054-L1328 HydrophobicContact CB-CD2 3.84Å; F1054-L1328 HydrophobicContact CB-CG 4.29Å; F1054-L1328 HydrophobicContact CD2-CD2 4.42Å; L1055-L1328 HydrophobicContact CB-CD1 3.8Å; L1055-L1328 HydrophobicContact CB-CG 4.18Å; L1055-L1328 HydrophobicContact CD1-CG 4.27Å
1329	N	28.2	Very low	26.4	Very low	139 Å²	139	103.1 Å²	103.1	74%	0.743	57%	0.571	S	S	*	*			trans	-85.6	160.8	167.3	-95.8	-54.4	0	0	0	109
1330	P	27.8	Very low	26.7	Very low	111 Å²	111	106.2 Å²	106.2	72%	0.721	58%	0.576	S	S	*	*			trans	-61.7	138	-166.5	23.6	-35.5	0	0	0	113.3	F1332	P1330-F1332 PolarHBondContact O-N 2.7Å
1331	P	25.1	Very low	26.6	Very low	116 Å²	116	112.2 Å²	112.2	75%	0.753	60%	0.602	S	S	*	*			trans	-69.3	102.1	168.4	29.1	-33	0	0	0	109.6
1332	F	24.5	Very low	26.6	Very low	200 Å²	200	109.4 Å²	109.4	88%	0.877	60%	0.604	S	S	*	*				-169.4	122.2	127.1	-103.9	-63.8	0	0	0	111.5	P1330	P1330-F1332 PolarHBondContact O-N 2.7Å
1333	S	23.8	Very low	26.7	Very low	103 Å²	103	108.5 Å²	108.5	72%	0.72	61%	0.607	S	S	*	*			trans	56.6	91.5	152.7	-153	0	0	0	0	115.7
1334	S	25.5	Very low	26.7	Very low	84 Å²	84	110.8 Å²	110.8	59%	0.587	61%	0.61	S	S	*	*				69.4	133.7	90.9	78.8	0	0	0	0	113.5
1335	T	27.8	Very low	26.6	Very low	103 Å²	103	112.1 Å²	112.1	63%	0.632	62%	0.624	S	S	*	*			cis	-152	142.3	31.4	42.8	0	0	0	0	112.9
1336	L	28	Very low	26.6	Very low	83 Å²	83	115 Å²	115	44%	0.435	63%	0.626	S	S	.	*			trans	80.2	118.7	136.8	-81.1	59.1	0	0	0	120.4	H1050	H1050-L1336 HydrophobicContact CB-CB 3.8Å; H1050-L1336 HydrophobicContact CB-CG 3.68Å; H1050-L1336 VanDerWaalsContact CD2-CD2 3.4Å; H1050-L1336 WeakPolarHBondContact CD2-CD2 3.12Å; H1050-L1336 VanDerWaalsContact CD2-CG 3.45Å; H1050-L1336 WeakPolarHBondContact CD2-CG 3.24Å; H1050-L1336 VanDerWaalsContact CG-CB 3.48Å; H1050-L1336 WeakPolarHBondContact O-CD1 2.42Å; H1050-L1336 WeakPolarHBondContact O-CG 3.47Å
1337	D	26.9	Very low	26.7	Very low	68 Å²	68	115.4 Å²	115.4	36%	0.364	62%	0.624	S	S	.	*			trans	-70.7	-159.2	-166.7	-34.1	-46.3	0	0	0	118.8	H1050 G1051 L1052	H1050-D1337 WeakPolarHBondContact CA-OD2 3.47Å; H1050-D1337 HydrophobicContact CB-CB 3.76Å; H1050-D1337 WeakPolarHBondContact CB-OD2 3.31Å; H1050-D1337 PolarHBondContact CE1-O 2.89Å; H1050-D1337 VanDerWaalsContact ND1-C 3.25Å; H1050-D1337 PolarHBondContact ND1-N 3.07Å; H1050-D1337 PolarHBondContact ND1-O 3.23Å; G1051-D1337 WeakPolarHBondContact CA-OD1 3.44Å; G1051-D1337 WeakPolarHBondContact CA-OD2 3.38Å; G1051-D1337 PolarHBondContact N-OD2 2.67Å; L1052-D1337 WeakPolarHBondContact CD1-OD1 3.36Å
1338	D	29.3	Very low	26.9	Very low	84 Å²	84	113 Å²	113	45%	0.449	63%	0.625	S	S	.	*			trans	53.1	145.3	137.4	-78.8	6.4	0	0	0	122	R1049	R1049-D1338 HydrophobicContact CG-CB 3.5Å; R1049-D1338 PolarHBondContact NH1-O 3.19Å
1339	L	27.9	Very low	26.9	Very low	78 Å²	78	116.3 Å²	116.3	41%	0.408	64%	0.643	S	S	.	*			cis	-174	152.4	3	-108.1	164.1	0	0	0	102.1	R1048 R1049	R1048-L1339 HydrophobicContact CG-CD1 4.44Å; R1049-L1339 PolarHBondContact NH1-O 3.43Å; R1049-L1339 VanDerWaalsContact NH2-CB 3.26Å; R1049-L1339 PolarHBondContact NH2-O 3.27Å; R1049-L1339 VanDerWaalsContact NH2-O 3.13Å
1340	Q	28.3	Very low	26.9	Very low	100 Å²	100	116.9 Å²	116.9	47%	0.467	64%	0.641	S	S	.	*				-173.6	138.9	56.6	-166.1	159.2	-23.6	0	0	112.6
1341	Q	26.6	Very low	26.9	Very low	157 Å²	157	118.5 Å²	118.5	73%	0.734	64%	0.639	S	S	*	*			trans	44.1	128.4	149.5	-65.4	163.3	-22.8	0	0	121.7
1342	S	25.5	Very low	27.1	Very low	94 Å²	94	118.6 Å²	118.6	66%	0.657	63%	0.633	S	S	*	*			trans	-129.3	115.9	148.5	60.5	0	0	0	0	109.7
1343	P	29	Very low	27.3	Very low	109 Å²	109	116.2 Å²	116.2	71%	0.708	62%	0.624	S	S	*	*			trans	-102.7	162.6	-172.8	38.8	-35.8	0	0	0	115.2
1344	N	25.9	Very low	27.7	Very low	116 Å²	116	115.5 Å²	115.5	62%	0.62	62%	0.617	S	S	*	*			trans	21.2	122.9	141.7	-62.9	-5.8	0	0	0	121.8
1345	S	23.3	Very low	28	Very low	94 Å²	94	114.7 Å²	114.7	66%	0.657	60%	0.604	S	S	*	*			trans	36.3	114.1	132	67.7	0	0	0	0	122.3
1346	Y	29	Very low	28.1	Very low	210 Å²	210	115.5 Å²	115.5	82%	0.824	60%	0.596	S	S	*	*			trans	-135.1	142.5	135.6	-75.9	-87.5	0	0	0	106.5
1347	Q	30.6	Very low	27.9	Very low	160 Å²	160	118.1 Å²	118.1	75%	0.748	61%	0.611	S	S	*	*			cis	76.9	112.8	41.6	-156.4	179.9	20.6	0	0	112.9
1348	S	26.6	Very low	27.9	Very low	93 Å²	93	119.6 Å²	119.6	65%	0.65	63%	0.625	S	S	*	*			trans	34.6	136.4	159.9	60.8	0	0	0	0	122.5
1349	N	25.8	Very low	27.7	Very low	140 Å²	140	122.4 Å²	122.4	75%	0.749	64%	0.64	S	S	*	*			trans	32.5	126.1	137.3	-53.8	-12.3	0	0	0	118.5
1350	H	28.1	Very low	27.8	Very low	151 Å²	151	125.5 Å²	125.5	70%	0.699	66%	0.657	S	S	*	*			cis	-169.4	152.7	26.6	-120.9	-35.4	0	0	0	110.7
1351	H	28.5	Very low	27.8	Very low	146 Å²	146	128.7 Å²	128.7	68%	0.676	68%	0.677	S	S	*	*			trans	63.3	134.5	161.2	-67.5	70	0	0	0	118.2
1352	N	28.7	Very low	27.9	Very low	118 Å²	118	128 Å²	128	63%	0.631	68%	0.678	S	S	*	*			cis	-159.1	129.9	-11.3	-122.7	5.2	0	0	0	112.7
1353	H	28.6	Very low	28	Very low	149 Å²	149	131 Å²	131	69%	0.69	69%	0.687	S	S	*	*			trans	51.9	152.8	139.4	-83.5	-116.5	0	0	0	122.8
1354	P	32.5	Very low	28	Very low	89 Å²	89	131.1 Å²	131.1	58%	0.578	69%	0.69	S	S	*	*			cis	-149.4	-170.3	-39.1	42.8	-23.9	0	0	0	115.9
1355	H	30.7	Very low	28.4	Very low	67 Å²	67	135.5 Å²	135.5	31%	0.31	70%	0.704	S	S	.	*			trans	90.2	87.3	147.8	-68.6	176.8	0	0	0	123.2	R498	R498-H1355 PolarHBondContact O-CE1 2.99Å
1356	Y	29.9	Very low	28.6	Very low	119 Å²	119	138.3 Å²	138.3	47%	0.467	71%	0.71	S	S	.	*				84.4	113.7	113.9	-72.3	-47.7	0	0	0	122.9	Q497 R498	Q497-Y1356 HydrophobicContact CG-CD2 4.13Å; Q497-Y1356 VanDerWaalsContact NE2-CB 3.28Å; Q497-Y1356 PolarHBondContact NE2-O 2.91Å; R498-Y1356 HydrophobicContact CB-CE2 4.4Å; R498-Y1356 HydrophobicContact CG-CE2 4.48Å; R498-Y1356 VanDerWaalsContact NH1-CE2 3.32Å
1357	N	24.9	Very low	28.7	Very low	138 Å²	138	136.3 Å²	136.3	74%	0.738	71%	0.708	S	S	*	*			trans	-59.8	153.3	141.7	-176.4	18	0	0	0	112.8
1358	C	26.3	Very low	28.8	Very low	99 Å²	99	132.8 Å²	132.8	67%	0.669	70%	0.7	S	S	*	*				152.8	132.4	129.5	-81.6	0	0	0	0	112.8
1359	N	25.4	Very low	28.9	Very low	144 Å²	144	136.8 Å²	136.8	77%	0.77	71%	0.709	S	S	*	*			trans	-69.3	152.4	152.8	-75.1	-54.5	0	0	0	109.2
1360	N	30	Very low	29.2	Very low	143 Å²	143	135.3 Å²	135.3	77%	0.765	71%	0.709	S	S	*	*			trans	-130.3	146.2	167.2	-110.3	14.5	0	0	0	110.4
1361	L	28.4	Very low	29.2	Very low	167 Å²	167	138.6 Å²	138.6	87%	0.874	72%	0.716	S	S	*	*			trans	-82.2	174.2	162	-129	74.5	0	0	0	110.1
1362	N	28.8	Very low	29.3	Very low	142 Å²	142	137.5 Å²	137.5	76%	0.759	72%	0.715	S	S	*	*			trans	-81.8	166.8	-175.5	-81.3	-19.2	0	0	0	114.3
1363	N	28.2	Very low	29.1	Very low	158 Å²	158	138 Å²	138	85%	0.845	72%	0.722	S	S	*	*			trans	-75.3	175.9	-174.7	-77.7	-9.3	0	0	0	115.5
1364	S	29	Very low	29.1	Very low	111 Å²	111	138.6 Å²	138.6	78%	0.776	73%	0.725	S	S	*	*			trans	-63.5	169.6	-176.4	51.8	0	0	0	0	117.1
1365	K	32.3	Very low	28.8	Very low	208 Å²	208	141.2 Å²	141.2	90%	0.904	72%	0.724	S	S	*	*			trans	-84.5	162.4	160.1	-148.8	176.7	-177.3	-172.9	0	110.1
1366	I	28.7	Very low	28.5	Very low	152 Å²	152	141.7 Å²	141.7	78%	0.779	73%	0.727	S	S	*	*			trans	-111.5	150.1	-164.1	-64.7	164.1	0	0	0	111.5
1367	H	30.4	Very low	28.2	Very low	169 Å²	169	143 Å²	143	78%	0.782	73%	0.731	S	S	*	*			trans	-132.7	157	151.5	-139.7	-81.5	0	0	0	110.9
1368	S	32.4	Very low	28.2	Very low	85 Å²	85	143.7 Å²	143.7	59%	0.594	73%	0.727	S	S	*	*			trans	1.8	114.5	167.3	45.3	0	0	0	0	118.3
1369	Q	30.5	Very low	28.3	Very low	177 Å²	177	145.2 Å²	145.2	83%	0.827	73%	0.729	S	S	*	*				76.3	118.7	69.8	-76.7	-173.9	-20.8	0	0	115.7
1370	S	31.1	Very low	28.3	Very low	109 Å²	109	144 Å²	144	76%	0.762	73%	0.731	S	S	*	*			trans	51	140.2	149.4	57	0	0	0	0	120.9
1371	R	28.5	Very low	28.3	Very low	221 Å²	221	141.1 Å²	141.1	83%	0.834	73%	0.728	S	S	*	*			cis	-157.7	162.4	1.9	-128.7	-180	-176.6	163	-0.1	110.1
1372	N	29.5	Very low	28.1	Very low	123 Å²	123	143.7 Å²	143.7	66%	0.658	73%	0.726	S	S	*	*			trans	56.7	107.2	156.4	-69	12.8	0	0	0	120.1
1373	T	26.3	Very low	27.9	Very low	128 Å²	128	142.3 Å²	142.3	79%	0.785	72%	0.719	S	S	*	*				72.8	146.9	129.3	56.5	0	0	0	0	121.2
1374	H	26.9	Very low	27.9	Very low	161 Å²	161	143.3 Å²	143.3	75%	0.745	71%	0.711	S	S	*	*			trans	68	92.3	171.6	-87.1	-104.3	0	0	0	118.8
1375	Y	26.5	Very low	27.6	Very low	144 Å²	144	141.7 Å²	141.7	57%	0.565	70%	0.699	S	S	*	*				66.5	94.5	127.2	-87.4	-92.8	0	0	0	118.8	C505	C505-Y1375 HydrophobicContact CB-CD1 3.59Å; C505-Y1375 HydrophobicContact CB-CG 4.03Å; C505-Y1375 VanDerWaalsContact SG-CD1 3.54Å
1376	Q	24.3	Very low	27.3	Very low	78 Å²	78	137.5 Å²	137.5	36%	0.364	68%	0.681	S	S	.	*				61.6	108.5	121.7	-73.1	-148.8	69.1	0	0	119.5	N503 N504 C505	N503-Q1376 VanDerWaalsContact N-OE1 3.16Å; N503-Q1376 PolarHBondContact O-NE2 2.93Å; N503-Q1376 PolarHBondContact O-OE1 2.7Å; N504-Q1376 VanDerWaalsContact O-CD 3.27Å; N504-Q1376 PolarHBondContact O-NE2 3.42Å; C505-Q1376 HydrophobicContact CB-CB 4.38Å; C505-Q1376 PolarHBondContact N-O 3.39Å
1377	R	23.7	Very low	27.1	Very low	145 Å²	145	134.2 Å²	134.2	55%	0.547	67%	0.668	S	S	.	*				76.6	94.4	118.1	-168	-163.3	-154.2	-161.5	17.5	115.5	N503 N504	N503-R1377 PolarHBondContact OD1-NH1 2.92Å; N503-R1377 PolarHBondContact OD1-NH2 3.15Å; N504-R1377 PolarHBondContact OD1-NH1 3Å; N504-R1377 VanDerWaalsContact OD1-NH1 3.1Å
1378	K	26.1	Very low	26.8	Very low	154 Å²	154	132.4 Å²	132.4	67%	0.67	66%	0.664	S	S	*	*			trans	-129.7	151.4	156.2	-108	-174.8	162.6	-155.1	0	110.7
1379	D	27.6	Very low	26.5	Very low	130 Å²	130	132.1 Å²	132.1	70%	0.695	66%	0.662	S	S	*	*			trans	53.7	112.5	148.2	-46.7	-24.9	0	0	0	117.3
1380	S	26.1	Very low	26.5	Very low	118 Å²	118	125.7 Å²	125.7	83%	0.825	64%	0.636	S	S	*	*				107.7	151.4	70.1	-158.9	0	0	0	0	108.3
1381	A	29.6	Very low	26.4	Very low	84 Å²	84	123.5 Å²	123.5	69%	0.694	62%	0.618	S	S	*	*			cis	-131.2	156.6	2.8	0	0	0	0	0	112.1
1382	R	23.5	Very low	26.7	Very low	220 Å²	220	119.6 Å²	119.6	83%	0.83	61%	0.609	S	S	*	*			trans	-93.6	147.6	153.9	-172.4	-164.6	-178.8	171.9	3.8	107.2
1383	N	24.9	Very low	26.9	Very low	114 Å²	114	121.2 Å²	121.2	61%	0.61	61%	0.613	S	S	*	*	S	Bend	trans	78.2	143	168.5	-58.8	-34.5	0	0	0	118.1
1384	R	27.1	Very low	27.1	Very low	179 Å²	179	122.7 Å²	122.7	68%	0.675	61%	0.611	S	S	*	*			trans	47	84.7	133.6	-62	174.9	-177.9	-165.1	-4	116.5	A898	A898-R1384 HydrophobicContact CB-CG 4.45Å
1385	S	23.8	Very low	27	Very low	77 Å²	77	119.6 Å²	119.6	54%	0.538	60%	0.599	S	S	.	*			cis	80.4	127.9	48.4	87.1	0	0	0	0	115.5
1386	K	25.5	Very low	27	Very low	119 Å²	119	115.4 Å²	115.4	52%	0.517	59%	0.586	S	S	.	*			trans	87.8	155.8	150.3	-58.4	140.6	105.9	-117.5	0	116.7	A898 Y899 P900	A898-K1386 PolarHBondContact O-NZ 2.64Å; Y899-K1386 VanDerWaalsContact C-NZ 3.31Å; Y899-K1386 WeakPolarHBondContact O-CB 3.34Å; Y899-K1386 WeakPolarHBondContact O-CD 3.44Å; Y899-K1386 WeakPolarHBondContact O-CE 3.29Å; Y899-K1386 PolarHBondContact O-NZ 3.47Å; P900-K1386 HydrophobicContact CB-CB 4.01Å; P900-K1386 VanDerWaalsContact CD-CG 3.47Å; P900-K1386 HydrophobicContact CG-CB 3.67Å; P900-K1386 HydrophobicContact CG-CG 3.97Å
1387	T	25.1	Very low	27.2	Very low	84 Å²	84	117.7 Å²	117.7	52%	0.515	60%	0.599	S	S	.	*			trans	76.5	142.5	-159.2	74.3	0	0	0	0	113.5	P900 D902	P900-T1387 HydrophobicContact CB-CG2 4.16Å; D902-T1387 VanDerWaalsContact OD1-CA 3.23Å; D902-T1387 WeakPolarHBondContact OD1-CA 3.4Å; D902-T1387 VanDerWaalsContact OD2-CA 3.3Å; D902-T1387 WeakPolarHBondContact OD2-CA 3.37Å; D902-T1387 PolarHBondContact OD2-N 3.44Å
1388	L	24.8	Very low	27.6	Very low	131 Å²	131	113.4 Å²	113.4	69%	0.686	60%	0.601	S	S	*	*			cis	-145.8	-175.8	14.4	-88.6	-174	0	0	0	108.7
1389	S	25.9	Very low	27.7	Very low	79 Å²	79	109.8 Å²	109.8	55%	0.552	59%	0.589	S	S	*	*			cis	169.2	154.6	-14	176.7	0	0	0	0	107.2	E903	E903-S1389 WeakPolarHBondContact OE2-CB 3.4Å; E903-S1389 PolarHBondContact OE2-OG 2.78Å
1390	S	30	Very low	27.8	Very low	42 Å²	42	110.7 Å²	110.7	29%	0.294	59%	0.593	S	S	.	*			cis	-156	-131.8	-22	-169.5	0	0	0	0	111.7	Y904 N905	Y904-S1390 CarbonylContact C-O 3.55Å; Y904-S1390 VanDerWaalsContact C-O 3.27Å; Y904-S1390 PolarHBondContact N-OG 3.29Å; Y904-S1390 CarbonylContact O-C 3.56Å; N905-S1390 WeakPolarHBondContact CA-O 3.08Å
1391	V	29.4	Very low	28	Very low	63 Å²	63	109.6 Å²	109.6	38%	0.382	58%	0.577	S	S	.	*			trans	-120.8	161.3	-144.8	71	0	0	0	0	118.1	Y904 N905	Y904-V1391 HydrophobicContact CD1-CB 4.14Å; Y904-V1391 HydrophobicContact CD1-CG2 4.13Å; Y904-V1391 HydrophobicContact CG-CG2 4.47Å; N905-V1391 WeakPolarHBondContact O-CG2 3.36Å
1392	E	34.3	Very low	28.1	Very low	138 Å²	138	110.7 Å²	110.7	65%	0.645	58%	0.575	S	S	*	*			trans	46.7	136.4	157.4	-85.8	165.8	-170.6	0	0	124.6	N905 F906	N905-E1392 PolarHBondContact O-N 3.3Å; F906-E1392 VanDerWaalsContact CD2-N 3.33Å; F906-E1392 VanDerWaalsContact CE2-O 3.22Å; F906-E1392 WeakPolarHBondContact CE2-O 3.22Å; F906-E1392 VanDerWaalsContact CZ-O 3.29Å; F906-E1392 WeakPolarHBondContact CZ-O 3.3Å
1393	H	34.3	Very low	28.4	Very low	158 Å²	158	103.6 Å²	103.6	73%	0.731	55%	0.554	S	S	*	*			trans	56.7	139.6	152.4	-87.6	-114.4	0	0	0	123.4	F906	F906-H1393 VanDerWaalsContact CE1-C 3.49Å; F906-H1393 VanDerWaalsContact CE1-N 3.26Å; F906-H1393 VanDerWaalsContact CZ-C 3.44Å; F906-H1393 VanDerWaalsContact CZ-O 3.31Å; F906-H1393 WeakPolarHBondContact CZ-O 3.38Å
1394	Q	29.3	Very low	28.4	Very low	159 Å²	159	103.5 Å²	103.5	74%	0.743	56%	0.561	S	S	*	*			trans	-77.7	161	161.9	-78.2	178.7	-59.9	0	0	110.3
1395	L	25.5	Very low	28.3	Very low	95 Å²	95	101.6 Å²	101.6	50%	0.497	56%	0.564	S	S	.	*			cis	-163.4	162.8	9.1	-126.5	167.9	0	0	0	110.2	F1444	L1395-F1444 HydrophobicContact CB-CE2 4.47Å
1396	L	26.2	Very low	28.3	Very low	56 Å²	56	104 Å²	104	29%	0.293	57%	0.571	S	S	.	*			trans	65.6	154.3	163.4	-83.1	135.2	0	0	0	115.9	N1442 L1443 F1444	L1396-N1442 HydrophobicContact CD2-CB 4.07Å; L1396-L1443 HydrophobicContact CD2-CD2 4.25Å; L1396-F1444 HydrophobicContact CB-CB 3.89Å; L1396-F1444 HydrophobicContact CB-CG 4.26Å; L1396-F1444 HydrophobicContact CD1-CB 3.7Å; L1396-F1444 HydrophobicContact CD1-CD2 3.56Å; L1396-F1444 HydrophobicContact CD1-CE2 4.47Å; L1396-F1444 HydrophobicContact CD1-CG 3.94Å; L1396-F1444 HydrophobicContact CD2-CB 4.41Å; L1396-F1444 HydrophobicContact CG-CB 4.17Å
1397	I	28.2	Very low	28.3	Very low	126 Å²	126	105.2 Å²	105.2	65%	0.646	58%	0.583	S	S	*	*			cis	-128.7	144.9	4.9	-55.1	168.3	0	0	0	108.7	L1443	I1397-L1443 HydrophobicContact CD1-CD2 3.84Å; I1397-L1443 HydrophobicContact CG1-CD2 4.01Å; I1397-L1443 HydrophobicContact CG2-CD2 4.02Å
1398	G	33.1	Very low	28.4	Very low	56 Å²	56	111 Å²	111	58%	0.577	60%	0.597	S	S	*	*			cis	163.3	163.4	-9.9	0	0	0	0	0	115
1399	N	27.6	Very low	28.4	Very low	77 Å²	77	109.7 Å²	109.7	41%	0.412	60%	0.598	S	S	.	*			trans	73.6	147.6	152.1	-56.3	0.2	0	0	0	117.2	N1442	N1399-N1442 PolarHBondContact ND2-O 2.65Å
1400	L	30.8	Very low	28.3	Very low	149 Å²	149	111.3 Å²	111.3	78%	0.78	61%	0.609	S	S	*	*			cis	-112.7	164.5	16.6	-73.5	61.2	0	0	0	113.5
1401	L	29.4	Very low	28.1	Very low	95 Å²	95	114.6 Å²	114.6	50%	0.497	63%	0.632	S	S	.	*			trans	75	165.4	173	-32.6	-177.1	0	0	0	113.9	M1440 S1441	L1401-M1440 HydrophobicContact CB-CG 4.27Å; L1401-M1440 HydrophobicContact CD2-CB 4.09Å; L1401-M1440 HydrophobicContact CD2-CG 3.72Å; L1401-S1441 PolarHBondContact N-OG 2.84Å; L1401-S1441 WeakPolarHBondContact O-CB 3.32Å
1402	T	30.9	Very low	27.9	Very low	107 Å²	107	116.4 Å²	116.4	66%	0.656	65%	0.647	S	S	*	*			cis	-145.2	158.9	9.7	-44.3	0	0	0	0	111.5	M1440	T1402-M1440 VanDerWaalsContact CA-SD 3.55Å; T1402-M1440 HydrophobicContact CG2-CE 3.95Å; T1402-M1440 HydrophobicContact CG2-SD 3.87Å
1403	D	29.8	Very low	27.6	Very low	71 Å²	71	116 Å²	116	38%	0.38	66%	0.655	S	S	.	*			trans	-87.8	133.6	-175.1	-76.7	-21.3	0	0	0	116.7	D1439 M1440 S1441	D1403-D1439 WeakPolarHBondContact OD2-CA 3.35Å; D1403-D1439 PolarHBondContact OD2-N 3.14Å; D1403-M1440 HydrophobicContact CB-SD 3.64Å; D1403-M1440 PolarHBondContact N-SD 2.84Å; D1403-M1440 WeakPolarHBondContact OD1-CA 3.38Å; D1403-S1441 PolarHBondContact OD1-N 3.31Å
1404	C	24.8	Very low	27.1	Very low	112 Å²	112	114.7 Å²	114.7	76%	0.757	66%	0.657	S	S	*	*				30.5	117.1	126.7	-59.2	0	0	0	0	123.4
1405	N	24.9	Very low	27	Very low	140 Å²	140	111.3 Å²	111.3	75%	0.749	66%	0.656	S	S	*	*			trans	76.9	126	130	-97.1	-18.3	0	0	0	123.7
1406	N	24.1	Very low	27.4	Very low	128 Å²	128	111.4 Å²	111.4	68%	0.684	67%	0.671	S	S	*	*			trans	51.4	106.9	142.5	-61.6	-27.6	0	0	0	120.3
1407	N	26.9	Very low	27.3	Very low	143 Å²	143	115.6 Å²	115.6	77%	0.765	70%	0.699	S	S	*	*				-172.6	134.8	108.1	-94.8	-27	0	0	0	115.5
1408	Y	25.9	Very low	27.2	Very low	205 Å²	205	113.7 Å²	113.7	80%	0.804	70%	0.702	S	S	*	*			trans	61.6	148.3	145.5	-78	-107.5	0	0	0	123.8
1409	C	25	Very low	27.4	Very low	105 Å²	105	116.5 Å²	116.5	71%	0.709	71%	0.709	S	S	*	*			trans	32.1	120.4	155.4	-62.3	0	0	0	0	120.4
1410	S	24.7	Very low	27.1	Very low	112 Å²	112	119.9 Å²	119.9	78%	0.783	73%	0.732	S	S	*	*				63.8	124.8	58	-58.1	0	0	0	0	116.1
1411	S	24.5	Very low	26.9	Very low	112 Å²	112	116.8 Å²	116.8	78%	0.783	72%	0.72	S	S	*	*			trans	81.3	87.2	157.1	-57.9	0	0	0	0	121.3
1412	S	26.5	Very low	26.7	Very low	100 Å²	100	118.5 Å²	118.5	70%	0.699	73%	0.729	S	S	*	*				70.5	112.2	113	71.5	0	0	0	0	123.3
1413	T	26.4	Very low	26.7	Very low	131 Å²	131	120.3 Å²	120.3	80%	0.804	74%	0.735	S	S	*	*			trans	82.8	158.3	130.5	-45.3	0	0	0	0	119.5
1414	V	25	Very low	26.8	Very low	129 Å²	129	122.2 Å²	122.2	78%	0.782	75%	0.754	S	S	*	*			trans	78.8	120.3	178.3	-167.9	0	0	0	0	113.1
1415	A	26.7	Very low	26.8	Very low	88 Å²	88	122.9 Å²	122.9	73%	0.727	75%	0.754	S	S	*	*			cis	102.6	95.2	15.1	0	0	0	0	0	116.5
1416	A	34	Very low	26.9	Very low	98 Å²	98	121.5 Å²	121.5	81%	0.81	75%	0.751	S	S	*	*			trans	44.4	122.4	144.9	0	0	0	0	0	122
1417	T	24.5	Very low	27	Very low	144 Å²	144	118.9 Å²	118.9	88%	0.883	74%	0.743	S	S	*	*			trans	-154.9	155.7	151.4	21.5	0	0	0	0	113.2
1418	A	25.6	Very low	27.2	Very low	85 Å²	85	113.6 Å²	113.6	70%	0.702	72%	0.716	S	S	*	*			trans	68.4	133.5	153.8	0	0	0	0	0	121
1419	T	38.3	Very low	27.5	Very low	116 Å²	116	108.9 Å²	108.9	71%	0.712	71%	0.713	S	S	*	*	S	Bend	trans	-67	-172.9	154.6	39.9	0	0	0	0	111.3	T1421	T1419-T1421 VanDerWaalsContact C-N 3.25Å; T1419-T1421 PolarHBondContact O-N 2.83Å; T1419-T1421 PolarHBondContact OG1-OG1 3.16Å
1420	T	20.8	Very low	27.8	Very low	148 Å²	148	109.5 Å²	109.5	91%	0.908	72%	0.719	S	S	*	*	S	Bend	trans	-58.3	88.2	162.6	44.6	0	0	0	0	110.8
1421	T	25.9	Very low	28	Very low	84 Å²	84	109.1 Å²	109.1	52%	0.515	71%	0.707	S	S	.	*			trans	-171.7	88.5	169.4	-2.1	0	0	0	0	107.3	T1419	T1419-T1421 VanDerWaalsContact C-N 3.25Å; T1419-T1421 PolarHBondContact O-N 2.83Å; T1419-T1421 PolarHBondContact OG1-OG1 3.16Å
1422	D	25.3	Very low	28.2	Very low	130 Å²	130	110.5 Å²	110.5	70%	0.695	71%	0.705	S	S	*	*			trans	41.8	96.4	133	-35.5	-40.2	0	0	0	116.9
1423	N	30.8	Very low	28.3	Very low	146 Å²	146	112.9 Å²	112.9	78%	0.781	71%	0.71	S	S	*	*				170.7	159.5	92	-88.1	-65	0	0	0	113.3	V1425	N1423-V1425 PolarHBondContact O-N 3.08Å
1424	S	33.3	Very low	28.3	Very low	111 Å²	111	110.6 Å²	110.6	78%	0.776	70%	0.699	S	S	*	*			trans	50.4	53.4	158	56.4	0	0	0	0	117
1425	V	24.4	Very low	28.5	Very low	126 Å²	126	111.3 Å²	111.3	76%	0.764	70%	0.699	S	S	*	*			trans	-69	146.9	139.4	162	0	0	0	0	107.9	N1423	N1423-V1425 PolarHBondContact O-N 3.08Å
1426	T	26.4	Very low	29.2	Very low	111 Å²	111	114.8 Å²	114.8	68%	0.681	71%	0.705	S	S	*	*			trans	64.2	157.2	-179.6	52.9	0	0	0	0	113.7
1427	S	27	Very low	29	Very low	73 Å²	73	118.9 Å²	118.9	51%	0.51	71%	0.705	S	S	.	*			cis	-150	-160.6	36	57.7	0	0	0	0	112.7	D2251 H2252	S1427-D2251 PolarHBondContact OG-O 2.92Å; S1427-D2251 VanDerWaalsContact OG-O 3.05Å; S1427-H2252 CarbonylContact C-O 3.4Å
1428	P	31.2	Very low	29.2	Very low	31 Å²	31	117.5 Å²	117.5	20%	0.201	69%	0.691	C	S	.	*				-134.8	-170.3	-104.4	42.6	-23.3	0	0	0	114.3	L1431 H2250 D2251 H2252	P1428-L1431 HydrophobicContact CB-CD1 4.09Å; P1428-L1431 HydrophobicContact CB-CG 4.12Å; P1428-L1431 HydrophobicContact CG-CD1 4.17Å; P1428-H2250 WeakPolarHBondContact CD-O 3.36Å; P1428-H2250 WeakPolarHBondContact CG-O 3.46Å; P1428-D2251 WeakPolarHBondContact CD-O 3.39Å; P1428-H2252 WeakPolarHBondContact CD-O 3.42Å; P1428-H2252 VanDerWaalsContact N-O 3.13Å; P1428-H2252 CarbonylContact O-C 3.49Å; P1428-H2252 VanDerWaalsContact O-C 3.31Å
1429	S	30.4	Very low	29.2	Very low	107 Å²	107	118.2 Å²	118.2	75%	0.748	68%	0.683	S	S	*	*	S	Bend		179.6	138.7	112.4	-77	0	0	0	0	110.8
1430	S	32.7	Very low	28.5	Very low	118 Å²	118	116 Å²	116	83%	0.825	67%	0.665	S	S	*	*	S	Bend	cis	-119.3	139.1	-4.4	50.7	0	0	0	0	110.8
1431	L	29.3	Very low	28.7	Very low	103 Å²	103	111.5 Å²	111.5	54%	0.539	64%	0.64	S	S	.	*			trans	-78.1	135.3	-169.7	-74.6	155.7	0	0	0	114.1	P1428	P1428-L1431 HydrophobicContact CB-CD1 4.09Å; P1428-L1431 HydrophobicContact CB-CG 4.12Å; P1428-L1431 HydrophobicContact CG-CD1 4.17Å
1432	L	28.8	Very low	28.9	Very low	142 Å²	142	112.1 Å²	112.1	74%	0.743	64%	0.64	S	S	*	*			trans	66.7	142.6	134.8	-67.4	170.9	0	0	0	123
1433	N	28.3	Very low	28.8	Very low	149 Å²	149	111.5 Å²	111.5	80%	0.797	64%	0.636	S	S	*	*			trans	69.4	141.6	154.3	-81.2	-5.1	0	0	0	119.4
1434	S	26.3	Very low	28.6	Very low	84 Å²	84	109.8 Å²	109.8	59%	0.587	62%	0.622	S	S	*	*			cis	-155	160.6	-10.2	47.4	0	0	0	0	111.5
1435	N	28.6	Very low	28.2	Very low	143 Å²	143	111.2 Å²	111.2	77%	0.765	62%	0.621	S	S	*	*			trans	68.9	137.2	-171.4	-39.4	-71.6	0	0	0	113.8
1436	N	40.7	Very low	28.3	Very low	161 Å²	161	112 Å²	112	86%	0.861	62%	0.619	S	S	*	*				174.8	115.6	128.3	-86.9	-26.3	0	0	0	112.1
1437	K	29.8	Very low	28.1	Very low	185 Å²	185	117.7 Å²	117.7	80%	0.804	63%	0.629	S	S	*	*			trans	-9.1	157.5	147	-77.5	-159.6	172.7	-169.9	0	119.1
1438	I	28.9	Very low	28.2	Very low	115 Å²	115	122.1 Å²	122.1	59%	0.59	64%	0.642	S	S	*	*			cis	172.2	143.4	-10.8	-111.2	178.1	0	0	0	103.8
1439	D	27	Very low	28.1	Very low	100 Å²	100	126.3 Å²	126.3	54%	0.535	66%	0.658	S	S	.	*				76.7	129.5	60.4	-64.5	85.6	0	0	0	116.1	D1403	D1403-D1439 WeakPolarHBondContact OD2-CA 3.35Å; D1403-D1439 PolarHBondContact OD2-N 3.14Å
1440	M	22.6	Very low	28	Very low	70 Å²	70	124.7 Å²	124.7	35%	0.345	64%	0.639	S	S	.	*			cis	-160	143.3	-25.8	-78	-53.8	169.1	0	0	112.1	L1401 T1402 D1403	L1401-M1440 HydrophobicContact CB-CG 4.27Å; L1401-M1440 HydrophobicContact CD2-CB 4.09Å; L1401-M1440 HydrophobicContact CD2-CG 3.72Å; T1402-M1440 VanDerWaalsContact CA-SD 3.55Å; T1402-M1440 HydrophobicContact CG2-CE 3.95Å; T1402-M1440 HydrophobicContact CG2-SD 3.87Å; D1403-M1440 HydrophobicContact CB-SD 3.64Å; D1403-M1440 PolarHBondContact N-SD 2.84Å; D1403-M1440 WeakPolarHBondContact OD1-CA 3.38Å
1441	S	24.9	Very low	27.7	Very low	53 Å²	53	125.2 Å²	125.2	37%	0.371	63%	0.628	S	S	.	*			trans	78	-177.5	141	76.1	0	0	0	0	124.3	L1401 D1403	L1401-S1441 PolarHBondContact N-OG 2.84Å; L1401-S1441 WeakPolarHBondContact O-CB 3.32Å; D1403-S1441 PolarHBondContact OD1-N 3.31Å
1442	N	29.8	Very low	27.6	Very low	96 Å²	96	127.2 Å²	127.2	51%	0.513	64%	0.635	S	S	.	*			trans	-82.8	163.2	-156.2	-53.6	-64.4	0	0	0	118.6	L1396 N1399	L1396-N1442 HydrophobicContact CD2-CB 4.07Å; N1399-N1442 PolarHBondContact ND2-O 2.65Å
1443	L	24.4	Very low	27.5	Very low	118 Å²	118	127.4 Å²	127.4	62%	0.618	64%	0.637	S	S	*	*			trans	-160.5	175.2	135.3	-112.9	160.9	0	0	0	113.7	L1396 I1397	L1396-L1443 HydrophobicContact CD2-CD2 4.25Å; I1397-L1443 HydrophobicContact CD1-CD2 3.84Å; I1397-L1443 HydrophobicContact CG1-CD2 4.01Å; I1397-L1443 HydrophobicContact CG2-CD2 4.02Å
1444	F	25.3	Very low	27.4	Very low	110 Å²	110	129.3 Å²	129.3	48%	0.482	64%	0.641	S	S	.	*			trans	-125.5	161.1	-175.1	-142.9	-121.6	0	0	0	112.2	L1395 L1396	L1395-F1444 HydrophobicContact CB-CE2 4.47Å; L1396-F1444 HydrophobicContact CB-CB 3.89Å; L1396-F1444 HydrophobicContact CB-CG 4.26Å; L1396-F1444 HydrophobicContact CD1-CB 3.7Å; L1396-F1444 HydrophobicContact CD1-CD2 3.56Å; L1396-F1444 HydrophobicContact CD1-CE2 4.47Å; L1396-F1444 HydrophobicContact CD1-CG 3.94Å; L1396-F1444 HydrophobicContact CD2-CB 4.41Å; L1396-F1444 HydrophobicContact CG-CB 4.17Å
1445	N	26.3	Very low	27.4	Very low	141 Å²	141	130.1 Å²	130.1	75%	0.754	65%	0.646	S	S	*	*			trans	70.6	145	163.3	-86.2	-7.6	0	0	0	121.7
1446	L	26.2	Very low	27.3	Very low	141 Å²	141	129.5 Å²	129.5	74%	0.738	64%	0.643	S	S	*	*			trans	60.5	124.3	161.2	-142.8	71.9	0	0	0	120.3	E1448	L1446-E1448 HydrophobicContact CD2-CB 3.81Å; L1446-E1448 HydrophobicContact CG-CB 4.14Å
1447	W	22.4	Very low	26.7	Very low	232 Å²	232	129.4 Å²	129.4	88%	0.879	64%	0.643	S	S	*	*			trans	-95.5	78.9	158.3	178.4	66.8	0	0	0	109.1
1448	E	28.6	Very low	26.5	Very low	166 Å²	166	124.4 Å²	124.4	78%	0.776	64%	0.644	S	S	*	*			trans	-144.8	143.5	161.2	-160.2	167.9	-129.9	0	0	107.9	L1446	L1446-E1448 HydrophobicContact CD2-CB 3.81Å; L1446-E1448 HydrophobicContact CG-CB 4.14Å
1449	Q	28.7	Very low	26.6	Very low	119 Å²	119	128 Å²	128	56%	0.556	66%	0.655	S	S	*	*			trans	-117	141.2	-152.2	-66.4	-170.6	-26.9	0	0	115.6	N1472	Q1449-N1472 PolarHBondContact OE1-ND2 3.1Å
1450	Q	28	Very low	26.5	Very low	72 Å²	72	130.3 Å²	130.3	34%	0.336	67%	0.667	S	S	.	*			trans	69.8	99.3	150	-72.1	178.3	-88.5	0	0	122.6	N1472	Q1450-N1472 PolarHBondContact NE2-O 2.78Å
1451	Q	26.7	Very low	26.8	Very low	129 Å²	129	133.9 Å²	133.9	60%	0.603	68%	0.68	S	S	*	*				73.6	141.3	112.4	-78.2	-153.7	80	0	0	124.2
1452	Q	26.8	Very low	27	Very low	146 Å²	146	137.3 Å²	137.3	68%	0.682	69%	0.69	S	S	*	*			trans	76.3	140.8	150.1	-74.3	174.4	30.5	0	0	118
1453	N	27.8	Very low	26.8	Very low	146 Å²	146	140.9 Å²	140.9	78%	0.781	70%	0.702	S	S	*	*			cis	-141.2	155.2	44.5	-87.4	-79.8	0	0	0	116.6
1454	Q	25.7	Very low	26.9	Very low	188 Å²	188	140.5 Å²	140.5	88%	0.879	71%	0.709	S	S	*	*			trans	-89	157.8	146.9	-75.4	-175	-15	0	0	109.4
1455	S	26.1	Very low	26.9	Very low	101 Å²	101	140 Å²	140	71%	0.706	72%	0.719	S	S	*	*			trans	-136.3	117.5	162.9	-172.7	0	0	0	0	110.8
1456	N	26.6	Very low	27	Very low	131 Å²	131	139.4 Å²	139.4	70%	0.701	72%	0.721	S	S	*	*				166.4	119.8	122.5	-80.6	-16.7	0	0	0	113.2
1457	N	27.3	Very low	27.2	Very low	159 Å²	159	137.8 Å²	137.8	85%	0.85	72%	0.721	S	S	*	*			trans	53.4	117.9	139.8	-54.7	-28.9	0	0	0	121.6
1458	G	27.4	Very low	27.4	Very low	80 Å²	80	135.3 Å²	135.3	83%	0.825	72%	0.724	S	S	*	*			trans	166.1	72.8	156.5	0	0	0	0	0	120.2
1459	K	29.2	Very low	27.5	Very low	190 Å²	190	130.2 Å²	130.2	83%	0.826	72%	0.716	S	S	*	*			trans	13	133.5	155.5	-70.6	179.7	174.9	178.4	0	121.6
1460	L	26.6	Very low	27.4	Very low	149 Å²	149	132.1 Å²	132.1	78%	0.78	73%	0.73	S	S	*	*				49.2	142	127.4	-55.5	166.1	0	0	0	119.4
1461	K	29.1	Very low	27.1	Very low	144 Å²	144	135.7 Å²	135.7	63%	0.626	75%	0.749	S	S	*	*			cis	-169.7	152.3	21.9	-143.3	173.6	178.9	-79.1	0	109
1462	E	28.5	Very low	27.1	Very low	125 Å²	125	134.6 Å²	134.6	58%	0.584	75%	0.747	S	S	*	*			trans	52.2	142.4	148.9	-81.9	153.6	-165.9	0	0	121.2
1463	F	26	Very low	27.1	Very low	172 Å²	172	135 Å²	135	75%	0.754	75%	0.749	S	S	*	*			cis	-149.2	156.9	10.9	-96.7	-71	0	0	0	111
1464	S	25.8	Very low	26.9	Very low	109 Å²	109	136.6 Å²	136.6	76%	0.762	75%	0.749	S	S	*	*			trans	43	140.3	150.2	59.5	0	0	0	0	122.1
1465	S	26.3	Very low	26.9	Very low	99 Å²	99	135.4 Å²	135.4	69%	0.692	74%	0.742	S	S	*	*			cis	-171.3	154.3	-0.8	46.2	0	0	0	0	111.4
1466	T	27.7	Very low	27	Very low	130 Å²	130	139.9 Å²	139.9	80%	0.798	75%	0.748	S	S	*	*			trans	55.9	131.7	161.3	52	0	0	0	0	119.3
1467	S	29.3	Very low	26.9	Very low	107 Å²	107	137.2 Å²	137.2	75%	0.748	75%	0.752	S	S	*	*			cis	-179.3	157.6	-13.4	39	0	0	0	0	108.3
1468	L	28	Very low	26.8	Very low	179 Å²	179	138.2 Å²	138.2	94%	0.937	76%	0.756	S	S	*	*			cis	-107.3	-87	-0.1	-177.5	66.1	0	0	0	111.9
1469	G	29.7	Very low	26.6	Very low	60 Å²	60	142.2 Å²	142.2	62%	0.619	75%	0.753	S	S	*	*			cis	160.3	121.9	-5.8	0	0	0	0	0	109.6
1470	N	26.8	Very low	26.4	Very low	159 Å²	159	139 Å²	139	85%	0.85	75%	0.745	S	S	*	*			trans	-161.5	-178.3	-163.7	-138.3	-19.7	0	0	0	117.8
1471	M	22.6	Very low	26.1	Very low	147 Å²	147	138.4 Å²	138.4	72%	0.724	74%	0.743	S	S	*	*			trans	-79	176.4	-171.1	-62.7	-171.2	-70.7	0	0	117.1
1472	N	25	Very low	26	Very low	105 Å²	105	141.1 Å²	141.1	56%	0.561	76%	0.755	S	S	*	*	S	Bend	trans	-53.5	174.7	-179	-84.8	8.9	0	0	0	117.7	Q1449 Q1450	Q1449-N1472 PolarHBondContact OE1-ND2 3.1Å; Q1450-N1472 PolarHBondContact NE2-O 2.78Å
1473	E	27.7	Very low	25.6	Very low	155 Å²	155	141.8 Å²	141.8	72%	0.724	76%	0.762	S	S	*	*			trans	68.6	81.8	173.4	-81.9	-63.2	121.6	0	0	116.3
1474	F	23.1	Very low	25.8	Very low	179 Å²	179	139 Å²	139	79%	0.785	76%	0.759	S	S	*	*			trans	-126.6	99.6	152.8	-170.7	-88.6	0	0	0	110.3
1475	F	26.4	Very low	25.8	Very low	164 Å²	164	141.3 Å²	141.3	72%	0.719	76%	0.758	S	S	*	*			trans	74.7	146.8	157.3	-84.9	-103	0	0	0	122
1476	K	26.9	Very low	25.9	Very low	194 Å²	194	141.3 Å²	141.3	84%	0.843	75%	0.754	S	S	*	*	S	Bend	trans	-53.3	160.4	161.7	-64	172.5	176.8	176.3	0	111.8
1477	G	25.7	Very low	25.9	Very low	75 Å²	75	140.4 Å²	140.4	77%	0.773	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-60.7	166.9	-174.8	0	0	0	0	0	116.7
1478	L	24.2	Very low	25.7	Very low	181 Å²	181	140.4 Å²	140.4	95%	0.948	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-49.9	140.3	-179.6	-65.7	164.1	0	0	0	113.8
1479	Q	23.2	Very low	25.6	Very low	164 Å²	164	138 Å²	138	77%	0.766	74%	0.737	S	S	*	*			trans	-149.5	109.8	158.2	-171.1	79.5	75.9	0	0	108.6
1480	N	25.3	Very low	25.7	Very low	123 Å²	123	140.8 Å²	140.8	66%	0.658	74%	0.741	S	S	*	*			trans	63.9	107.5	170.8	-47.4	-2	0	0	0	114.6
1481	D	20.8	Very low	25.6	Very low	136 Å²	136	140 Å²	140	73%	0.727	74%	0.737	S	S	*	*				67.9	94.4	68.2	-60.9	-39.9	0	0	0	113.9
1482	F	26.2	Very low	25.9	Very low	200 Å²	200	141.3 Å²	141.3	88%	0.877	74%	0.741	S	S	*	*				-168.8	114.2	129.5	-100.3	-74.8	0	0	0	105.3
1483	L	22	Very low	26.1	Very low	139 Å²	139	140.2 Å²	140.2	73%	0.728	75%	0.746	S	S	*	*				50.3	79.9	63.5	-66.6	176.4	0	0	0	113.2
1484	T	30.1	Very low	26.1	Very low	115 Å²	115	138.1 Å²	138.1	71%	0.706	75%	0.749	S	S	*	*				-147.1	132.5	113.1	33.9	0	0	0	0	106.4
1485	E	25.8	Very low	26.4	Very low	156 Å²	156	135.5 Å²	135.5	73%	0.729	75%	0.748	S	S	*	*				65	149.2	62.7	-60.2	-176.3	149.8	0	0	111.3
1486	T	27.4	Very low	26.5	Very low	100 Å²	100	133 Å²	133	61%	0.613	75%	0.746	S	S	*	*			cis	-155.1	130.8	30.1	-12.7	0	0	0	0	109.9
1487	T	27.2	Very low	26.6	Very low	110 Å²	110	129.7 Å²	129.7	68%	0.675	74%	0.742	S	S	*	*				58.9	151.6	125.2	63.8	0	0	0	0	121.6
1488	T	24.9	Very low	27.1	Very low	107 Å²	107	131.3 Å²	131.3	66%	0.656	74%	0.739	S	S	*	*			cis	-172.7	170.8	-4.5	26.3	0	0	0	0	110.2
1489	T	27.4	Very low	27.1	Very low	129 Å²	129	129 Å²	129	79%	0.791	73%	0.732	S	S	*	*			trans	68.1	157.5	161.4	71.7	0	0	0	0	115.3
1490	V	30.7	Very low	27.1	Very low	118 Å²	118	129.4 Å²	129.4	72%	0.715	74%	0.737	S	S	*	*			cis	-125.9	130.6	5.5	-175.6	0	0	0	0	106.1
1491	L	25.5	Very low	27.4	Very low	144 Å²	144	129.9 Å²	129.9	75%	0.754	74%	0.744	S	S	*	*				40.2	113.5	103.9	-112.2	79.8	0	0	0	112.9
1492	E	29.4	Very low	27.7	Very low	174 Å²	174	128 Å²	128	81%	0.813	75%	0.747	S	S	*	*				166.5	161.8	85.1	-94.8	169.5	-164.1	0	0	107.3
1493	A	28.7	Very low	27.5	Very low	81 Å²	81	123.2 Å²	123.2	67%	0.669	75%	0.745	S	S	*	*			cis	-161.8	169.6	-14.9	0	0	0	0	0	109.6
1494	S	26.6	Very low	27.6	Very low	111 Å²	111	120.7 Å²	120.7	78%	0.776	74%	0.744	S	S	*	*			trans	22.9	126.9	150	-50.7	0	0	0	0	119.4
1495	T	30.3	Very low	27.2	Very low	124 Å²	124	120.9 Å²	120.9	76%	0.761	75%	0.745	S	S	*	*			cis	-163.1	155.6	46.9	44.4	0	0	0	0	109.7
1496	T	29.1	Very low	27.2	Very low	112 Å²	112	119.3 Å²	119.3	69%	0.687	75%	0.747	S	S	*	*			cis	-160.8	117.4	16.8	1.9	0	0	0	0	109
1497	T	28.5	Very low	27.2	Very low	125 Å²	125	123.6 Å²	123.6	77%	0.767	76%	0.757	S	S	*	*				95.3	144.1	110.9	51.5	0	0	0	0	117.4
1498	P	36.6	Very low	27.3	Very low	108 Å²	108	123.3 Å²	123.3	70%	0.701	76%	0.759	S	S	*	*				-149.4	-158.4	-99	38.2	-12.8	0	0	0	117.3
1499	T	24.5	Very low	27.5	Very low	132 Å²	132	125.3 Å²	125.3	81%	0.81	77%	0.765	S	S	*	*			trans	104.2	149.2	136.2	20.1	0	0	0	0	122.9
1500	M	22.6	Very low	27.6	Very low	174 Å²	174	125.2 Å²	125.2	86%	0.857	76%	0.759	S	S	*	*			trans	-111.7	179.9	174.9	-70.3	179.1	64.3	0	0	111.5
1501	T	31.5	Very low	27.4	Very low	132 Å²	132	126.8 Å²	126.8	81%	0.81	76%	0.76	S	S	*	*			trans	-41.7	131.7	176	47.3	0	0	0	0	118.1
1502	A	26	Very low	27.6	Very low	96 Å²	96	126.8 Å²	126.8	79%	0.793	75%	0.754	S	S	*	*				-170.6	149.8	121.8	0	0	0	0	0	113.1
1503	A	22.6	Very low	27.4	Very low	100 Å²	100	126 Å²	126	83%	0.826	76%	0.755	S	S	*	*			trans	68.3	148.4	157.4	0	0	0	0	0	122.1
1504	A	23.8	Very low	27.4	Very low	87 Å²	87	127.7 Å²	127.7	72%	0.719	75%	0.753	S	S	*	*			trans	63.9	128.2	152.3	0	0	0	0	0	122.5
1505	T	23.2	Very low	27.5	Very low	119 Å²	119	127.3 Å²	127.3	73%	0.73	75%	0.75	S	S	*	*			trans	51.7	120.8	144.2	50.8	0	0	0	0	121.6
1506	T	25.9	Very low	27.4	Very low	123 Å²	123	128.6 Å²	128.6	76%	0.755	75%	0.748	S	S	*	*			trans	56.4	140.7	144.6	56	0	0	0	0	119.4
1507	K	26.1	Very low	27.4	Very low	189 Å²	189	130.4 Å²	130.4	82%	0.822	75%	0.746	S	S	*	*			cis	-175.8	165.4	-7.4	-114.6	177.4	178	-179.4	0	104.7
1508	S	28.7	Very low	27.3	Very low	105 Å²	105	131.8 Å²	131.8	73%	0.734	75%	0.748	S	S	*	*			trans	70.2	128.2	165.9	-169.6	0	0	0	0	116
1509	L	29.3	Very low	27	Very low	148 Å²	148	131.1 Å²	131.1	78%	0.775	75%	0.746	S	S	*	*			cis	-168.4	145.6	-7.8	-135.5	60.5	0	0	0	105.4
1510	I	30.3	Very low	27.1	Very low	128 Å²	128	130.7 Å²	130.7	66%	0.656	75%	0.745	S	S	*	*			cis	-150.2	129.9	-16.8	-121.5	178	0	0	0	104.8
1511	M	26.6	Very low	27.5	Very low	150 Å²	150	128.3 Å²	128.3	74%	0.739	74%	0.743	S	S	*	*				52.5	133	96.3	-54.4	179.8	71.8	0	0	115.1
1512	K	28.5	Very low	27.1	Very low	144 Å²	144	129.6 Å²	129.6	63%	0.626	74%	0.744	S	S	*	*			cis	-162.9	151.4	-1.2	-130.2	-164.8	173	-153.2	0	110.9	D1514	K1512-D1514 WeakPolarHBondContact CD-OD2 3.35Å; K1512-D1514 WeakPolarHBondContact CE-OD2 3.46Å; K1512-D1514 IonicContact NZ-OD1 3.35Å; K1512-D1514 PolarHBondContact NZ-OD1 2.71Å; K1512-D1514 VanDerWaalsContact NZ-OD1 3.17Å; K1512-D1514 IonicContact NZ-OD2 3.67Å; K1512-D1514 PolarHBondContact NZ-OD2 2.79Å
1513	D	26.1	Very low	27.6	Very low	158 Å²	158	130 Å²	130	85%	0.845	74%	0.738	S	S	*	*			trans	-87.4	154.3	147.5	-87	-49.2	0	0	0	109.5
1514	D	28.7	Very low	27.7	Very low	117 Å²	117	131.6 Å²	131.6	63%	0.626	74%	0.738	S	S	*	*			trans	-160.7	141.1	156.4	-93.9	-32.2	0	0	0	111.8	K1512	K1512-D1514 WeakPolarHBondContact CD-OD2 3.35Å; K1512-D1514 WeakPolarHBondContact CE-OD2 3.46Å; K1512-D1514 IonicContact NZ-OD1 3.35Å; K1512-D1514 PolarHBondContact NZ-OD1 2.71Å; K1512-D1514 VanDerWaalsContact NZ-OD1 3.17Å; K1512-D1514 IonicContact NZ-OD2 3.67Å; K1512-D1514 PolarHBondContact NZ-OD2 2.79Å
1515	S	28.2	Very low	27.7	Very low	103 Å²	103	138.7 Å²	138.7	72%	0.72	75%	0.746	S	S	*	*			trans	62.9	104.7	154	58.8	0	0	0	0	122.4
1516	E	28.8	Very low	27.7	Very low	150 Å²	150	137.3 Å²	137.3	70%	0.701	74%	0.741	S	S	*	*				76.1	124.2	114.9	-65.8	-155	134.3	0	0	124.5
1517	K	29.6	Very low	27.7	Very low	150 Å²	150	140.3 Å²	140.3	65%	0.652	74%	0.743	S	S	*	*				95.5	121.6	126.8	-82.2	168.4	-173.7	149.5	0	121.9
1518	L	26.2	Very low	27.5	Very low	154 Å²	154	143.3 Å²	143.3	81%	0.806	75%	0.75	S	S	*	*			trans	66.5	140.2	143.5	-58.9	164.7	0	0	0	117.7
1519	S	29.1	Very low	27.4	Very low	94 Å²	94	141.7 Å²	141.7	66%	0.657	75%	0.75	S	S	*	*			cis	164	129.6	-20.2	-100	0	0	0	0	105.1
1520	P	27.7	Very low	27.2	Very low	123 Å²	123	142.9 Å²	142.9	80%	0.799	76%	0.756	S	S	*	*			trans	-70.5	146.8	163.2	32.1	-33.4	0	0	0	109.4
1521	P	31	Very low	27	Very low	124 Å²	124	142 Å²	142	81%	0.805	76%	0.761	S	S	*	*				-154.2	-171.8	80.8	41.4	-20.9	0	0	0	116.6
1522	L	23.6	Very low	26.9	Very low	159 Å²	159	142.2 Å²	142.2	83%	0.832	77%	0.765	S	S	*	*			trans	-65.1	170.1	164.4	-69.3	169.9	0	0	0	113
1523	P	35.8	Very low	27.1	Very low	105 Å²	105	140.3 Å²	140.3	68%	0.682	77%	0.768	S	S	*	*			cis	-142	-178.5	-18.1	32.3	-9.1	0	0	0	116.4
1524	V	24.4	Very low	27	Very low	134 Å²	134	140 Å²	140	81%	0.812	77%	0.766	S	S	*	*			trans	65.3	128	159.3	-145.6	0	0	0	0	121.7
1525	R	23.1	Very low	26.9	Very low	236 Å²	236	138.3 Å²	138.3	89%	0.891	76%	0.763	S	S	*	*			trans	113.6	119.6	133.3	-136.1	-172.3	180	165	1.2	119.9
1526	S	23.2	Very low	26.8	Very low	89 Å²	89	142.3 Å²	142.3	62%	0.622	77%	0.768	S	S	*	*			trans	79.8	108.7	139.5	-179.6	0	0	0	0	123.3
1527	K	26.7	Very low	26.7	Very low	186 Å²	186	140 Å²	140	81%	0.809	76%	0.764	S	S	*	*			trans	71.7	121.3	134.7	-66.4	178.8	179	-178	0	122.1
1528	R	22.5	Very low	26.5	Very low	253 Å²	253	138.8 Å²	138.8	96%	0.955	77%	0.765	S	S	*	*			trans	36.5	128.2	134.9	-64.3	-174.8	176.8	-173.5	-1.8	120.2
1529	G	25.6	Very low	26.6	Very low	71 Å²	71	136.4 Å²	136.4	73%	0.732	76%	0.756	S	S	*	*			trans	173.9	62.6	157.2	0	0	0	0	0	121
1530	L	26.2	Very low	26.5	Very low	172 Å²	172	136.9 Å²	136.9	90%	0.901	76%	0.759	S	S	*	*			trans	63.2	154.5	148.1	-69.8	158.3	0	0	0	122.8
1531	S	26.6	Very low	26.5	Very low	111 Å²	111	140.5 Å²	140.5	78%	0.776	76%	0.757	S	S	*	*			trans	73.3	121.7	159.8	31.8	0	0	0	0	121.9
1532	D	24.1	Very low	26.3	Very low	154 Å²	154	141 Å²	141	82%	0.824	75%	0.753	S	S	*	*			trans	-73.2	-175.7	164.6	-48.8	-88.9	0	0	0	112.1
1533	P	31.4	Very low	26.5	Very low	104 Å²	104	140.1 Å²	140.1	68%	0.675	75%	0.749	S	S	*	*			cis	-141.4	174.5	5.5	44.5	-26.5	0	0	0	117.9
1534	N	25.6	Very low	26.1	Very low	151 Å²	151	143.1 Å²	143.1	81%	0.807	76%	0.758	S	S	*	*			trans	41.5	137.6	140.1	-67.8	-18	0	0	0	121.3
1535	S	26	Very low	26.1	Very low	81 Å²	81	143.2 Å²	143.2	57%	0.566	75%	0.754	S	S	*	*			cis	172.2	172.7	6.5	45.4	0	0	0	0	111.8
1536	F	25.4	Very low	26.3	Very low	187 Å²	187	139.1 Å²	139.1	82%	0.82	75%	0.749	S	S	*	*			trans	70.7	143.6	160.8	-64.3	-71.2	0	0	0	120.7
1537	V	26.7	Very low	26.5	Very low	101 Å²	101	144.8 Å²	144.8	61%	0.612	76%	0.759	S	S	*	*			cis	-170.5	147.4	-26.8	93	0	0	0	0	115.6
1538	N	26.5	Very low	26.5	Very low	126 Å²	126	143.8 Å²	143.8	67%	0.674	75%	0.754	S	S	*	*			trans	49.2	178.2	151.5	-60.3	-27.8	0	0	0	119.3
1539	V	27.6	Very low	26.8	Very low	104 Å²	104	138 Å²	138	63%	0.63	74%	0.742	S	S	*	*			cis	-144.5	153.9	14	-137.1	0	0	0	0	106.8
1540	S	27.7	Very low	26.7	Very low	103 Å²	103	137 Å²	137	72%	0.72	72%	0.718	S	S	*	*			cis	-149.3	141.7	32.4	-69	0	0	0	0	111.4
1541	R	25.9	Very low	26.5	Very low	200 Å²	200	130.6 Å²	130.6	76%	0.755	69%	0.688	S	S	*	*				59.8	122	69.7	-77.9	-177.2	179.3	166.8	-1.5	111.8
1542	N	26.8	Very low	26.3	Very low	133 Å²	133	128.2 Å²	128.2	71%	0.711	66%	0.663	S	S	*	*				-156.8	155.2	54	-93.8	-38	0	0	0	116.3
1543	N	28.1	Very low	26.4	Very low	142 Å²	142	123.9 Å²	123.9	76%	0.759	64%	0.639	S	S	*	*			trans	81.2	133.8	149.1	-62.9	-9.8	0	0	0	122.8
1544	L	27	Very low	26	Very low	167 Å²	167	122.5 Å²	122.5	87%	0.874	63%	0.626	S	S	*	*			trans	72	108.6	166.7	-97.5	73	0	0	0	120.3
1545	L	25.4	Very low	25.9	Very low	137 Å²	137	122.2 Å²	122.2	72%	0.717	62%	0.618	S	S	*	*			trans	-58	157.1	134.1	-62.9	85.6	0	0	0	108.6
1546	D	27	Very low	25.7	Very low	149 Å²	149	120.9 Å²	120.9	80%	0.797	61%	0.606	S	S	*	*			cis	-127.9	158.8	35.3	-62.6	-51.8	0	0	0	116
1547	Y	27.7	Very low	25.7	Very low	209 Å²	209	115.6 Å²	115.6	82%	0.82	59%	0.587	S	S	*	*			trans	-84	136.7	161.2	-76.2	-112.9	0	0	0	108.2
1548	K	27.1	Very low	25.6	Very low	165 Å²	165	116.1 Å²	116.1	72%	0.717	59%	0.586	S	S	*	*				53.1	131.4	79.5	-82.2	-173.1	174.5	179.4	0	113
1549	L	27.4	Very low	25.5	Very low	132 Å²	132	115 Å²	115	69%	0.691	58%	0.579	S	S	*	*			cis	-156.4	143.5	19.2	-100.3	138.4	0	0	0	113.2
1550	H	23.4	Very low	25.6	Very low	50 Å²	50	114.9 Å²	114.9	23%	0.231	58%	0.583	C	S	.	*			trans	34.9	119.1	135.3	-73.1	-135.7	0	0	0	123.7	N2123 H2124 D2125	H1550-N2123 PolarHBondContact ND1-OD1 2.84Å; H1550-N2123 VanDerWaalsContact ND1-OD1 3.16Å; H1550-H2124 AromaticContact CD2-CG 3.94Å; H1550-H2124 PolarHBondContact CE1-N 3.06Å; H1550-H2124 VanDerWaalsContact CE1-N 3.25Å; H1550-H2124 PolarHBondContact CE1-O 2.93Å; H1550-H2124 PolarHBondContact ND1-N 3.13Å; H1550-H2124 PolarHBondContact NE2-O 2.86Å; H1550-D2125 IonicContact CD2-OD2 3.75Å; H1550-D2125 PolarHBondContact CD2-OD2 2.78Å; H1550-D2125 VanDerWaalsContact CD2-OD2 3.25Å; H1550-D2125 PolarHBondContact NE2-N 3.45Å; H1550-D2125 IonicContact NE2-OD2 3.65Å
1551	S	22.5	Very low	25.6	Very low	37 Å²	37	115.5 Å²	115.5	26%	0.259	59%	0.585	S	S	.	*				34.1	143.2	127.9	68.5	0	0	0	0	121.9	Y870 H2124	Y870-S1551 PolarHBondContact OH-OG 3Å; S1551-H2124 PolarHBondContact N-NE2 3.2Å
1552	F	22.7	Very low	25.6	Very low	61 Å²	61	116.5 Å²	116.5	27%	0.268	59%	0.59	S	S	.	*				171.4	175.2	57.2	-160	-33	0	0	0	109.2	Y870 D1554 T2121 N2122	Y870-F1552 AromaticContact CD1-CD2 3.99Å; Y870-F1552 HydrophobicContact CD1-CD2 3.99Å; Y870-F1552 AromaticContact CD1-CE2 3.81Å; Y870-F1552 HydrophobicContact CD1-CE2 3.81Å; Y870-F1552 HydrophobicContact CD2-CD2 4.25Å; Y870-F1552 AromaticContact CE1-CD2 3.49Å; Y870-F1552 HydrophobicContact CE1-CD2 3.49Å; Y870-F1552 VanDerWaalsContact CE1-CD2 3.49Å; Y870-F1552 AromaticContact CE1-CE2 3.41Å; Y870-F1552 HydrophobicContact CE1-CE2 3.41Å; Y870-F1552 VanDerWaalsContact CE1-CE2 3.41Å; Y870-F1552 HydrophobicContact CE2-CB 4.31Å; Y870-F1552 AromaticContact CE2-CD2 3.74Å; Y870-F1552 HydrophobicContact CE2-CD2 3.74Å; Y870-F1552 HydrophobicContact CE2-CE2 4.49Å; Y870-F1552 HydrophobicContact CG-CD2 4.39Å; Y870-F1552 AromaticContact CZ-CD2 3.35Å; Y870-F1552 AromaticContact CZ-CE2 3.8Å; F1552-D1554 WeakPolarHBondContact CD1-OD2 3.44Å; F1552-D1554 WeakPolarHBondContact CE1-OD2 3.44Å; F1552-T2121 HydrophobicContact CZ-CG2 4.37Å; F1552-N2122 HydrophobicContact CD1-CB 4.13Å; F1552-N2122 WeakPolarHBondContact CD1-ND2 3.46Å; F1552-N2122 HydrophobicContact CD2-CB 3.46Å; F1552-N2122 VanDerWaalsContact CD2-CB 3.46Å; F1552-N2122 HydrophobicContact CE1-CB 4.19Å; F1552-N2122 HydrophobicContact CE2-CB 3.54Å; F1552-N2122 HydrophobicContact CG-CB 3.85Å; F1552-N2122 HydrophobicContact CZ-CB 3.96Å
1553	I	26.5	Very low	25.5	Very low	62 Å²	62	114.4 Å²	114.4	32%	0.318	59%	0.591	S	S	.	*			trans	100.3	135	151.5	-56.8	140.7	0	0	0	115.6	I867 G868	I867-I1553 HydrophobicContact CB-CG2 4.02Å; I867-I1553 HydrophobicContact CG1-CG2 4.39Å; I867-I1553 HydrophobicContact CG2-CG2 3.72Å; G868-I1553 VanDerWaalsContact O-CD1 3.28Å; G868-I1553 WeakPolarHBondContact O-CD1 3.46Å; G868-I1553 WeakPolarHBondContact O-CG1 3.06Å; G868-I1553 WeakPolarHBondContact O-CG2 3.39Å
1554	D	23.3	Very low	25.4	Very low	76 Å²	76	114.2 Å²	114.2	41%	0.406	60%	0.595	S	S	.	*			cis	96.5	111.1	3.1	-52.9	-70.6	0	0	0	117.6	E866 I867 G868 F1552	E866-D1554 CarbonylContact O-C 3.36Å; I867-D1554 CarbonylContact C-O 3.08Å; I867-D1554 WeakPolarHBondContact CA-O 3.4Å; G868-D1554 PolarHBondContact N-O 3.3Å; F1552-D1554 WeakPolarHBondContact CD1-OD2 3.44Å; F1552-D1554 WeakPolarHBondContact CE1-OD2 3.44Å
1555	F	23.1	Very low	25.5	Very low	145 Å²	145	112.4 Å²	112.4	64%	0.636	59%	0.591	S	S	*	*			cis	-149	-63.6	19.7	-111	-68.5	0	0	0	121	Q865 E866	Q865-F1555 WeakPolarHBondContact CA-O 3.44Å; Q865-F1555 PolarHBondContact N-O 2.77Å; E866-F1555 PolarHBondContact O-N 2.84Å; E866-F1555 VanDerWaalsContact OE1-C 3.28Å; E866-F1555 WeakPolarHBondContact OE1-CA 3.44Å; E866-F1555 WeakPolarHBondContact OE1-CB 3.37Å; E866-F1555 PolarHBondContact OE1-N 3.25Å
1556	T	22.2	Very low	25.5	Very low	52 Å²	52	109.8 Å²	109.8	32%	0.319	59%	0.589	S	S	.	*			trans	-137.4	104.2	-160.1	59.8	0	0	0	0	125.1	I863 Q865 E866	I863-T1556 HydrophobicContact CG2-CG2 4.35Å; Q865-T1556 CarbonylContact O-C 3.56Å; E866-T1556 PolarHBondContact OE1-N 3.42Å
1557	D	24.7	Very low	25.4	Very low	77 Å²	77	108.8 Å²	108.8	41%	0.412	59%	0.592	S	S	.	*			trans	-177.5	144.8	156.3	-93.9	-28.6	0	0	0	116.5	I863 D864 Q865	I863-D1557 WeakPolarHBondContact CA-OD1 3.42Å; D864-D1557 VanDerWaalsContact C-C 3.47Å; D864-D1557 CarbonylContact C-O 3.4Å; D864-D1557 VanDerWaalsContact N-CA 3.27Å; D864-D1557 VanDerWaalsContact N-N 3.18Å; D864-D1557 CarbonylContact O-C 3.57Å; D864-D1557 PolarHBondContact O-N 2.97Å; Q865-D1557 VanDerWaalsContact CA-N 3.3Å; Q865-D1557 WeakPolarHBondContact CB-O 3.48Å; Q865-D1557 CarbonylContact O-C 3.46Å; Q865-D1557 WeakPolarHBondContact O-CA 3.5Å; Q865-D1557 PolarHBondContact O-N 3.49Å
1558	D	24.5	Very low	25.3	Very low	112 Å²	112	107.7 Å²	107.7	60%	0.599	59%	0.594	S	S	*	*			trans	-118.4	-155.1	-164.6	-163.5	-8.6	0	0	0	116.4	L862	L862-D1558 HydrophobicContact CD2-CB 4.01Å; L862-D1558 WeakPolarHBondContact CD2-O 2.93Å
1559	I	24.6	Very low	25.4	Very low	102 Å²	102	105.1 Å²	105.1	52%	0.523	59%	0.594	S	S	.	*			trans	47.9	135.1	159.2	-65.4	164.8	0	0	0	122.3	A861 L862	A861-I1559 HydrophobicContact CB-CB 4.25Å; A861-I1559 HydrophobicContact CB-CD1 3.77Å; A861-I1559 HydrophobicContact CB-CG2 4.07Å; L862-I1559 HydrophobicContact CD2-CB 3.74Å
1560	S	30.1	Very low	25.2	Very low	101 Å²	101	106.3 Å²	106.3	71%	0.706	60%	0.601	S	S	*	*			trans	-103.2	164.9	-176.2	59.5	0	0	0	0	116.6
1561	P	28.1	Very low	25.2	Very low	117 Å²	117	110.3 Å²	110.3	76%	0.76	62%	0.624	S	S	*	*			trans	-109.7	121	157	35.1	-26.2	0	0	0	113.9
1562	Y	25.7	Very low	25.2	Very low	221 Å²	221	113.5 Å²	113.5	87%	0.867	65%	0.645	S	S	*	*			trans	39.1	99.3	145.6	-68.3	-85.3	0	0	0	122.1
1563	A	24.4	Very low	25.4	Very low	89 Å²	89	116.7 Å²	116.7	74%	0.736	67%	0.665	S	S	*	*				43.6	116.3	109.2	0	0	0	0	0	120.4
1564	V	26.9	Very low	25.3	Very low	137 Å²	137	119.7 Å²	119.7	83%	0.83	68%	0.681	S	S	*	*			trans	-112.6	132.4	134.3	173.2	0	0	0	0	107.5
1565	T	27.3	Very low	25.4	Very low	129 Å²	129	121.3 Å²	121.3	79%	0.791	69%	0.69	S	S	*	*			trans	-14.3	149.8	171.3	46.5	0	0	0	0	120.1
1566	A	25.6	Very low	25.5	Very low	83 Å²	83	120.3 Å²	120.3	69%	0.686	69%	0.692	S	S	*	*			cis	-168.9	172.3	-5.9	0	0	0	0	0	112.4
1567	C	26	Very low	25.6	Very low	128 Å²	128	123.5 Å²	123.5	87%	0.865	71%	0.706	S	S	*	*			trans	58.4	106	155.1	-66.5	0	0	0	0	121.2
1568	H	24.8	Very low	25.6	Very low	185 Å²	185	126 Å²	126	86%	0.856	72%	0.72	S	S	*	*			trans	-55.5	165.3	138.2	-81.9	-45.2	0	0	0	111.8
1569	P	30.4	Very low	25.6	Very low	111 Å²	111	125.9 Å²	125.9	72%	0.721	72%	0.719	S	S	*	*			cis	-140.5	170.2	23.7	43	-25	0	0	0	118.5
1570	L	22.9	Very low	26	Very low	157 Å²	157	124.5 Å²	124.5	82%	0.822	72%	0.723	S	S	*	*			trans	28.3	105.3	143.8	-64	171.7	0	0	0	120.8
1571	N	22	Very low	25.8	Very low	134 Å²	134	123 Å²	123	72%	0.717	71%	0.712	S	S	*	*				86.2	103.9	109.6	-164.5	87.2	0	0	0	120.1
1572	C	23.3	Very low	25.7	Very low	104 Å²	104	120.5 Å²	120.5	70%	0.703	70%	0.695	S	S	*	*			trans	73.4	141.5	145.1	-70.7	0	0	0	0	118.8
1573	N	26.4	Very low	25.8	Very low	129 Å²	129	116.1 Å²	116.1	69%	0.69	69%	0.687	S	S	*	*			cis	-168.9	-153.9	-8.6	-169.4	62.4	0	0	0	106.8
1574	D	25.8	Very low	26	Very low	124 Å²	124	119 Å²	119	66%	0.663	69%	0.689	S	S	*	*			trans	80.8	136.7	153.2	-78.4	37.7	0	0	0	118.2
1575	N	25	Very low	25.9	Very low	111 Å²	111	119.3 Å²	119.3	59%	0.594	69%	0.685	S	S	*	*			cis	-167.7	-179.7	-16.7	-130.3	-30.6	0	0	0	111.9
1576	N	24.2	Very low	25.9	Very low	124 Å²	124	121.9 Å²	121.9	66%	0.663	69%	0.688	S	S	*	*			trans	76.4	147.3	158.8	-54.8	-43.3	0	0	0	118.8
1577	N	24.8	Very low	25.9	Very low	118 Å²	118	121.5 Å²	121.5	63%	0.631	69%	0.685	S	S	*	*			cis	-158.1	130.8	-18.9	-113	-29.6	0	0	0	113.7
1578	N	25.4	Very low	26.2	Very low	130 Å²	130	119.7 Å²	119.7	70%	0.695	68%	0.68	S	S	*	*			trans	38.5	134	133	-68.3	-31.4	0	0	0	124.4
1579	N	24.7	Very low	26.5	Very low	109 Å²	109	121 Å²	121	58%	0.583	68%	0.677	S	S	*	*			trans	97.4	137.8	146.5	-60.4	-28.2	0	0	0	119.8	S89	S89-N1579 WeakPolarHBondContact O-CB 2.13Å; S89-N1579 PolarHBondContact O-ND2 2.86Å
1580	A	31.4	Very low	26.4	Very low	74 Å²	74	121.8 Å²	121.8	61%	0.612	68%	0.675	S	S	*	*			trans	-134.3	159.3	-171.5	0	0	0	0	0	111.6	I91 S92	I91-A1580 CarbonylContact C-O 3.53Å; S92-A1580 PolarHBondContact N-O 2.9Å
1581	S	25.6	Very low	26.4	Very low	68 Å²	68	119 Å²	119	48%	0.476	67%	0.668	S	S	.	*	B	Isolated β-bridge	trans	-147.9	160.2	167.3	-41.7	0	0	0	0	110.7	S90 I91 S92	S90-S1581 PolarHBondContact O-OG 3.37Å; I91-S1581 VanDerWaalsContact C-OG 3.25Å; I91-S1581 PolarHBondContact N-OG 3.2Å; S92-S1581 VanDerWaalsContact O-CA 3.31Å; S92-S1581 WeakPolarHBondContact O-CA 3.37Å
1582	T	27.6	Very low	26.7	Very low	65 Å²	65	119.3 Å²	119.3	40%	0.399	67%	0.669	S	S	.	*			trans	-91.3	-178.4	172.5	59.7	0	0	0	0	110.8	S92 P93 T94	S92-T1582 PolarHBondContact O-N 2.94Å; P93-T1582 WeakPolarHBondContact O-CG2 3.27Å; T94-T1582 WeakPolarHBondContact O-CG2 3.27Å
1583	D	27.8	Very low	27.1	Very low	130 Å²	130	120.9 Å²	120.9	70%	0.695	67%	0.671	S	S	*	*			cis	-163.5	-175.8	25.7	-135.2	-53.7	0	0	0	113.1
1584	L	27.7	Very low	27.3	Very low	148 Å²	148	119.5 Å²	119.5	78%	0.775	67%	0.671	S	S	*	*			trans	75.3	126.7	179.2	-53.6	173.5	0	0	0	115.5
1585	L	24.8	Very low	27.2	Very low	145 Å²	145	117.6 Å²	117.6	76%	0.759	67%	0.673	S	S	*	*			cis	72.9	99.3	39.4	-63.4	171.1	0	0	0	115.5
1586	Q	27.5	Very low	27.3	Very low	183 Å²	183	120.6 Å²	120.6	86%	0.855	68%	0.683	S	S	*	*				-169.8	161.3	128.3	-156.7	62.2	6.1	0	0	110.2
1587	A	26.4	Very low	27.4	Very low	75 Å²	75	120.7 Å²	120.7	62%	0.62	68%	0.684	S	S	*	*				-167.1	140	-75.7	0	0	0	0	0	109.1
1588	A	31.5	Very low	27.3	Very low	90 Å²	90	120.3 Å²	120.3	74%	0.744	69%	0.689	S	S	*	*			trans	-178	131.6	161.1	0	0	0	0	0	110.2
1589	R	31.5	Very low	27.2	Very low	211 Å²	211	118.6 Å²	118.6	80%	0.796	69%	0.687	S	S	*	*			cis	-141.9	136.5	-20.3	-80.7	-157.9	178.5	98.5	3	106.2
1590	D	27.3	Very low	27.1	Very low	128 Å²	128	118 Å²	118	68%	0.684	69%	0.691	S	S	*	*				54.3	135.9	92.1	-38	-43.4	0	0	0	113.9
1591	C	23.6	Very low	26.7	Very low	100 Å²	100	122.1 Å²	122.1	68%	0.676	70%	0.699	S	S	*	*			cis	-173.4	-169.8	-14.4	-115.6	0	0	0	0	108.2
1592	N	29.5	Very low	26.6	Very low	139 Å²	139	124 Å²	124	74%	0.743	71%	0.708	S	S	*	*			trans	76.5	141.1	161.6	-51.6	-32.9	0	0	0	115.9
1593	N	30.8	Very low	26.6	Very low	137 Å²	137	128 Å²	128	73%	0.733	73%	0.727	S	S	*	*			cis	-155.5	170.3	-3.4	-119	-14.6	0	0	0	111.6
1594	S	29.8	Very low	26.6	Very low	100 Å²	100	126.6 Å²	126.6	70%	0.699	73%	0.726	S	S	*	*			trans	35.6	112.1	154.8	56.9	0	0	0	0	118.3
1595	A	25.1	Very low	26.6	Very low	85 Å²	85	125.9 Å²	125.9	70%	0.702	72%	0.719	S	S	*	*			cis	58.3	132	36.9	0	0	0	0	0	114.9
1596	Q	27.1	Very low	26.8	Very low	173 Å²	173	125.4 Å²	125.4	81%	0.808	72%	0.717	S	S	*	*			trans	71.3	145.7	166.5	-55.1	-168.2	-96.8	0	0	117.2
1597	D	24.9	Very low	26.7	Very low	126 Å²	126	124 Å²	124	67%	0.674	71%	0.71	S	S	*	*			cis	-157.6	172.3	-19.6	-114.9	-28.9	0	0	0	112.9
1598	C	23	Very low	26.8	Very low	110 Å²	110	126 Å²	126	74%	0.743	72%	0.715	S	S	*	*			trans	-31	156.7	145.7	-66	0	0	0	0	115.1
1599	S	23.4	Very low	26.7	Very low	94 Å²	94	126.9 Å²	126.9	66%	0.657	72%	0.716	S	S	*	*			cis	177	169.5	-4.2	47.7	0	0	0	0	109.1
1600	C	23.1	Very low	26.6	Very low	98 Å²	98	121.8 Å²	121.8	66%	0.662	71%	0.713	S	S	*	*			trans	57.8	143.6	154.8	65.1	0	0	0	0	118.4
1601	M	22.7	Very low	26.7	Very low	159 Å²	159	120.3 Å²	120.3	78%	0.783	71%	0.712	S	S	*	*				163.1	162.9	90.4	-84.1	-142.4	178.2	0	0	106.9
1602	T	23.8	Very low	27	Very low	109 Å²	109	123.1 Å²	123.1	67%	0.669	72%	0.715	S	S	*	*			cis	-166.1	-167.5	-10.5	26.1	0	0	0	0	107.9
1603	L	27.3	Very low	26.9	Very low	149 Å²	149	123 Å²	123	78%	0.78	71%	0.713	S	S	*	*			trans	98.2	117.4	171.5	-54.7	168.3	0	0	0	112.3	E1605	L1603-E1605 WeakPolarHBondContact CD2-OE1 3.36Å
1604	S	27.4	Very low	26.7	Very low	99 Å²	99	122.1 Å²	122.1	69%	0.692	71%	0.713	S	S	*	*	S	Bend	cis	-161	157.9	-2.6	-79.9	0	0	0	0	108.9
1605	E	28.4	Very low	26.4	Very low	134 Å²	134	128.5 Å²	128.5	63%	0.626	72%	0.721	S	S	*	*			cis	179.8	-178.9	-27.1	-111.9	158.9	-77.5	0	0	106.7	L1603	L1603-E1605 WeakPolarHBondContact CD2-OE1 3.36Å
1606	L	28	Very low	26.9	Very low	134 Å²	134	129.3 Å²	129.3	70%	0.702	72%	0.719	S	S	*	*			cis	-116.3	-156.7	2.1	-60.9	73.8	0	0	0	108.1
1607	Q	27.2	Very low	26.7	Very low	153 Å²	153	128.6 Å²	128.6	72%	0.715	72%	0.72	S	S	*	*			cis	-157.5	163.8	-0.4	-145.9	161	-0.5	0	0	110.9
1608	T	28.5	Very low	26.7	Very low	117 Å²	117	129 Å²	129	72%	0.718	72%	0.723	S	S	*	*			trans	11.5	142.1	154.4	51	0	0	0	0	122
1609	S	29.1	Very low	26.8	Very low	110 Å²	110	129.9 Å²	129.9	77%	0.769	72%	0.719	S	S	*	*			cis	169	160.9	-9.5	47.1	0	0	0	0	108.4
1610	S	28.2	Very low	26.9	Very low	104 Å²	104	134.8 Å²	134.8	73%	0.727	72%	0.723	S	S	*	*			cis	-175.5	-175.5	-22.5	-171.1	0	0	0	0	108
1611	S	29.5	Very low	27.2	Very low	96 Å²	96	137.9 Å²	137.9	67%	0.671	73%	0.727	S	S	*	*			trans	67.6	151.6	163.3	70	0	0	0	0	120
1612	H	29.7	Very low	27.5	Very low	159 Å²	159	135.8 Å²	135.8	74%	0.736	72%	0.719	S	S	*	*			cis	-162.9	134.4	-22.8	-101.3	-41.8	0	0	0	112.9
1613	I	28.6	Very low	27.5	Very low	136 Å²	136	136.7 Å²	136.7	70%	0.697	72%	0.72	S	S	*	*				52.4	120	123.6	-64	-179.6	0	0	0	123.3
1614	T	26.4	Very low	27.5	Very low	119 Å²	119	135.7 Å²	135.7	73%	0.73	72%	0.72	S	S	*	*			trans	36.4	131.7	147.6	66.3	0	0	0	0	126.7
1615	R	23.6	Very low	27.5	Very low	234 Å²	234	137.4 Å²	137.4	88%	0.883	72%	0.721	S	S	*	*				19.5	161.3	118.9	-71.9	-177.1	175.4	-177.1	-1	121
1616	P	35.1	Very low	27.3	Very low	102 Å²	102	141 Å²	141	66%	0.662	73%	0.731	S	S	*	*			cis	-146	176.2	-32.2	42	-24	0	0	0	116.7
1617	L	22.9	Very low	27.1	Very low	158 Å²	158	140.8 Å²	140.8	83%	0.827	73%	0.73	S	S	*	*			trans	68.5	161.6	149.6	-81.2	167.1	0	0	0	122.3
1618	N	24.9	Very low	27	Very low	135 Å²	135	139.6 Å²	139.6	72%	0.722	73%	0.727	S	S	*	*			trans	75.4	145.1	165.3	-70.5	-6.8	0	0	0	119.8
1619	I	25.9	Very low	26.9	Very low	129 Å²	129	142 Å²	142	66%	0.662	73%	0.73	S	S	*	*			cis	-167	158.1	-27.6	-136.7	170.7	0	0	0	110.4
1620	R	25.2	Very low	26.8	Very low	197 Å²	197	140.4 Å²	140.4	74%	0.743	72%	0.719	S	S	*	*			trans	66.3	165.9	167.4	-77.9	167.6	-169.2	-171.6	3.2	116.8
1621	H	29.5	Very low	26.6	Very low	162 Å²	162	144.2 Å²	144.2	75%	0.75	72%	0.722	S	S	*	*			cis	-127.3	-162.9	11.8	-116	-57.5	0	0	0	114.1
1622	N	27.9	Very low	26.6	Very low	115 Å²	115	146.2 Å²	146.2	62%	0.615	73%	0.725	S	S	*	*			trans	-113.8	149.6	-148	-86.9	62	0	0	0	117.4
1623	D	25.2	Very low	26.3	Very low	129 Å²	129	148 Å²	148	69%	0.69	73%	0.725	S	S	*	*			trans	66.4	140.8	135.5	-57.4	-27.7	0	0	0	125.3
1624	T	26.3	Very low	26.2	Very low	128 Å²	128	146.5 Å²	146.5	79%	0.785	72%	0.719	S	S	*	*			trans	78.9	138.8	154.9	53.1	0	0	0	0	123.3
1625	N	26.7	Very low	26.2	Very low	134 Å²	134	147.3 Å²	147.3	72%	0.717	72%	0.719	S	S	*	*			trans	67.9	105.7	148.8	-65.9	-18.7	0	0	0	122.4
1626	Y	24.7	Very low	26.6	Very low	210 Å²	210	142.5 Å²	142.5	82%	0.824	71%	0.71	S	S	*	*				43.1	125.1	127.3	-73.2	-78	0	0	0	122.6
1627	N	23.8	Very low	26.3	Very low	130 Å²	130	143.2 Å²	143.2	70%	0.695	71%	0.709	S	S	*	*			trans	70.4	117.3	140.5	-76.7	-7	0	0	0	121.7
1628	I	25.4	Very low	26.6	Very low	127 Å²	127	143.1 Å²	143.1	65%	0.651	71%	0.709	S	S	*	*				58.3	99.4	127.6	-51	165.6	0	0	0	116.6
1629	H	26.6	Very low	26.8	Very low	169 Å²	169	140.4 Å²	140.4	78%	0.782	71%	0.713	S	S	*	*				-150.5	116.5	101.8	-102.5	-83.9	0	0	0	107.1
1630	S	25.9	Very low	26.9	Very low	76 Å²	76	141.3 Å²	141.3	53%	0.531	72%	0.719	S	S	.	*				68.7	130.1	88.7	93.5	0	0	0	0	112.8
1631	K	25.7	Very low	27.1	Very low	183 Å²	183	139.7 Å²	139.7	80%	0.796	72%	0.717	S	S	*	*				44.4	129.9	89.8	-48	174.8	-177.9	178.2	0	111.3
1632	L	28.6	Very low	27	Very low	139 Å²	139	137.6 Å²	137.6	73%	0.728	71%	0.712	S	S	*	*			cis	-141.5	153.7	43.8	-72.3	157.7	0	0	0	110.1
1633	R	24.6	Very low	27	Very low	196 Å²	196	139.8 Å²	139.8	74%	0.74	72%	0.718	S	S	*	*			cis	81.3	144.8	40.5	-151.3	-161.2	-171.6	-113.8	11.1	112.4
1634	D	26.1	Very low	27.3	Very low	105 Å²	105	140.3 Å²	140.3	56%	0.561	72%	0.721	S	S	*	*			trans	69.6	138.9	173.2	-45.1	-43.8	0	0	0	113.1
1635	D	26.6	Very low	27.4	Very low	136 Å²	136	139 Å²	139	73%	0.727	71%	0.709	S	S	*	*			cis	-158.1	174.5	15.3	-134.9	-26.3	0	0	0	112.9
1636	N	30.7	Very low	27.5	Very low	133 Å²	133	142.2 Å²	142.2	71%	0.711	71%	0.711	S	S	*	*			trans	78.5	137.9	169.9	-58.5	-74	0	0	0	119.8
1637	N	29.5	Very low	27.7	Very low	117 Å²	117	135.1 Å²	135.1	63%	0.626	69%	0.692	S	S	*	*			cis	-163	155.5	-24.9	-133.8	-45.5	0	0	0	112.2
1638	N	29	Very low	28	Very low	156 Å²	156	131 Å²	131	83%	0.834	67%	0.67	S	S	*	*			trans	32.7	125.3	160	-66.7	-40	0	0	0	121.8
1639	G	28.8	Very low	28.3	Very low	78 Å²	78	130.6 Å²	130.6	80%	0.804	67%	0.667	S	S	*	*			trans	-139.7	-60.2	178.3	0	0	0	0	0	117.4
1640	N	27.9	Very low	28.3	Very low	147 Å²	147	126.6 Å²	126.6	79%	0.786	65%	0.652	S	S	*	*			trans	75.7	133	169.4	-137.6	-6.2	0	0	0	119.2
1641	K	29.8	Very low	28.5	Very low	164 Å²	164	128.7 Å²	128.7	71%	0.713	66%	0.655	S	S	*	*			trans	88.9	115.2	153.9	-60	-173.8	-179.8	178.8	0	123.8
1642	N	27.7	Very low	28.5	Very low	117 Å²	117	127.4 Å²	127.4	63%	0.626	66%	0.657	S	S	*	*				79	128.8	128.8	-69.6	46.8	0	0	0	122.7
1643	E	27.6	Very low	28.4	Very low	161 Å²	161	124.9 Å²	124.9	75%	0.752	66%	0.657	S	S	*	*			trans	56.8	139.2	135.2	-65.3	150.6	168.6	0	0	119.2
1644	D	30.7	Very low	28.3	Very low	141 Å²	141	121.5 Å²	121.5	75%	0.754	66%	0.658	S	S	*	*			cis	-160.7	161	14.8	-134.5	-14	0	0	0	115.1
1645	D	30	Very low	28.2	Very low	100 Å²	100	121.7 Å²	121.7	54%	0.535	66%	0.663	S	S	.	*			trans	50.1	123.5	152.4	-106.7	-26	0	0	0	126.2
1646	R	27.6	Very low	28.1	Very low	201 Å²	201	121.6 Å²	121.6	76%	0.758	66%	0.663	S	S	*	*			trans	69.4	137	145	-63.4	156.8	-155.6	177.7	13.1	121.4
1647	S	30.2	Very low	27.8	Very low	61 Å²	61	121.1 Å²	121.1	43%	0.427	67%	0.665	S	S	.	*			cis	-165.2	-96.7	-7.9	52.1	0	0	0	0	118.3	L173 N174	L173-S1647 VanDerWaalsContact CB-OG 3.27Å; L173-S1647 WeakPolarHBondContact CB-OG 3.28Å; L173-S1647 VanDerWaalsContact CD2-OG 3.27Å; L173-S1647 WeakPolarHBondContact CD2-OG 3.37Å; N174-S1647 VanDerWaalsContact OD1-CB 3.24Å; N174-S1647 WeakPolarHBondContact OD1-CB 3.23Å
1648	N	29.3	Very low	27.6	Very low	44 Å²	44	121.3 Å²	121.3	24%	0.235	67%	0.67	C	S	.	*			trans	-137.2	-178.7	-136.3	-171.3	63	0	0	0	121.1	L173 N174 T175	L173-N1648 WeakPolarHBondContact O-CB 3.47Å; L173-N1648 PolarHBondContact O-ND2 3.38Å; N174-N1648 HydrophobicContact CB-CB 4.01Å; T175-N1648 WeakPolarHBondContact CB-OD1 3.36Å; T175-N1648 VanDerWaalsContact CG2-CG 3.43Å; T175-N1648 WeakPolarHBondContact CG2-ND2 3.44Å; T175-N1648 WeakPolarHBondContact CG2-OD1 3.36Å; T175-N1648 WeakPolarHBondContact OG1-CB 3.45Å; T175-N1648 PolarHBondContact OG1-ND2 3.13Å; T175-N1648 PolarHBondContact OG1-OD1 3.2Å
1649	M	31.1	Very low	27.5	Very low	119 Å²	119	118.7 Å²	118.7	59%	0.586	66%	0.664	S	S	*	*			trans	-97.3	147.8	-170	-44.7	180	-68.7	0	0	119.4	I172	I172-M1649 WeakPolarHBondContact CG2-O 3.38Å
1650	N	27.3	Very low	27.4	Very low	85 Å²	85	122.7 Å²	122.7	46%	0.455	67%	0.667	S	S	.	*				-147.3	168.9	121.1	-108.9	-24	0	0	0	105.8	F171 I172	F171-N1650 HydrophobicContact CD1-CB 3.45Å; F171-N1650 VanDerWaalsContact CD1-CB 3.45Å; F171-N1650 WeakPolarHBondContact CD2-O 3.28Å; F171-N1650 HydrophobicContact CE1-CB 3.54Å; F171-N1650 WeakPolarHBondContact CE2-O 3.38Å; F171-N1650 HydrophobicContact CG-CB 4.01Å; F171-N1650 WeakPolarHBondContact CG-O 3.26Å; F171-N1650 HydrophobicContact CZ-CB 4.16Å; I172-N1650 HydrophobicContact CD1-CB 4.15Å; I172-N1650 HydrophobicContact CG2-CB 4.46Å
1651	I	29.9	Very low	27.6	Very low	119 Å²	119	119.4 Å²	119.4	61%	0.61	67%	0.668	S	S	*	*			cis	-139.3	161.6	-4.2	-134.7	154.9	0	0	0	108	F171	F171-I1651 HydrophobicContact CE1-CB 4.21Å; F171-I1651 HydrophobicContact CE1-CD1 4.43Å; F171-I1651 HydrophobicContact CE2-CB 4.32Å; F171-I1651 HydrophobicContact CZ-CB 3.71Å; F171-I1651 HydrophobicContact CZ-CG2 4.02Å
1652	N	25.9	Very low	27.8	Very low	156 Å²	156	116.1 Å²	116.1	83%	0.834	67%	0.672	S	S	*	*			trans	-70.5	152	-172.2	-51	-60.4	0	0	0	115.6
1653	A	25.2	Very low	28.3	Very low	87 Å²	87	117.7 Å²	117.7	72%	0.719	69%	0.685	S	S	*	*			trans	-155.9	138.8	131	0	0	0	0	0	111.6
1654	T	24.4	Very low	29.1	Very low	125 Å²	125	118.1 Å²	118.1	77%	0.767	69%	0.691	S	S	*	*			trans	20.3	136.6	147.2	51.2	0	0	0	0	120.4
1655	T	24	Very low	28.9	Very low	109 Å²	109	119.1 Å²	119.1	67%	0.669	70%	0.697	S	S	*	*			cis	-167.9	156.6	21.4	0.1	0	0	0	0	113
1656	N	23.3	Very low	28.6	Very low	133 Å²	133	119.2 Å²	119.2	71%	0.711	70%	0.697	S	S	*	*			trans	61.2	131.8	145.7	-62.3	-6.4	0	0	0	123.1
1657	T	24.2	Very low	28.4	Very low	123 Å²	123	115.2 Å²	115.2	76%	0.755	69%	0.687	S	S	*	*			trans	58.2	135.2	136.8	53.9	0	0	0	0	121.5
1658	T	25.2	Very low	28.6	Very low	122 Å²	122	118.7 Å²	118.7	75%	0.748	70%	0.7	S	S	*	*			cis	-171.4	171	-19.8	-1	0	0	0	0	108.3
1659	S	26.5	Very low	28.6	Very low	101 Å²	101	121.1 Å²	121.1	71%	0.706	72%	0.717	S	S	*	*			trans	73.1	155.5	160.5	83	0	0	0	0	118
1660	N	28.1	Very low	28.6	Very low	162 Å²	162	120 Å²	120	87%	0.866	71%	0.713	S	S	*	*			cis	-163.6	141.3	-22.8	-105.5	-6.4	0	0	0	110.6
1661	G	32.2	Very low	28.6	Very low	78 Å²	78	122.1 Å²	122.1	80%	0.804	72%	0.72	S	S	*	*			trans	70.5	170.8	163.3	0	0	0	0	0	117.7
1662	A	32.5	Very low	28.5	Very low	95 Å²	95	121.7 Å²	121.7	79%	0.785	73%	0.728	S	S	*	*			cis	-167	139.5	-20.1	0	0	0	0	0	110.2
1663	T	39	Very low	28.8	Very low	149 Å²	149	118.8 Å²	118.8	91%	0.914	72%	0.716	S	S	*	*			trans	-155.7	158.2	162.6	16.4	0	0	0	0	109.5
1664	I	44.6	Very low	29.2	Very low	171 Å²	171	116.2 Å²	116.2	88%	0.877	69%	0.691	S	S	*	*			trans	-118.6	123.9	-155.4	-59	167.6	0	0	0	111
1665	D	25.8	Very low	29.5	Very low	162 Å²	162	114 Å²	114	87%	0.866	67%	0.674	S	S	*	*			trans	-151	150.2	156	-147.3	-19.5	0	0	0	108.3
1666	N	23.4	Very low	30	Very low	102 Å²	102	112.5 Å²	112.5	55%	0.545	66%	0.662	S	S	.	*			trans	-101.5	88.3	-167.9	-170.1	0.5	0	0	0	111.8	I1682	N1666-I1682 HydrophobicContact CB-CD1 4.23Å; N1666-I1682 WeakPolarHBondContact ND2-CG2 3.47Å; N1666-I1682 VanDerWaalsContact O-CD1 3.26Å; N1666-I1682 WeakPolarHBondContact O-CD1 3.49Å
1667	H	25.2	Very low	30.4	Very low	117 Å²	117	108.3 Å²	108.3	54%	0.542	65%	0.646	S	S	.	*			trans	-160.9	143.7	152.5	-119.8	-71.3	0	0	0	116.5	I1682	H1667-I1682 WeakPolarHBondContact CD2-CD1 3.26Å; H1667-I1682 VanDerWaalsContact NE2-CD1 3.33Å; H1667-I1682 WeakPolarHBondContact NE2-CD1 3.33Å
1668	N	33.1	Very low	30.7	Very low	133 Å²	133	107.2 Å²	107.2	71%	0.711	64%	0.636	S	S	*	*			trans	-76.4	164.6	159.8	-176.4	13.1	0	0	0	110.8
1669	T	29.2	Very low	30.8	Very low	96 Å²	96	105.9 Å²	105.9	59%	0.589	63%	0.631	S	S	*	*	S	Bend	trans	71	163	171.8	72.3	0	0	0	0	117.6
1670	N	30.4	Very low	30.8	Very low	94 Å²	94	106.1 Å²	106.1	50%	0.503	63%	0.628	S	S	.	*			trans	25.9	129.1	150.9	-49	-32.8	0	0	0	117.9
1671	H	29	Very low	30.9	Very low	131 Å²	131	103.3 Å²	103.3	61%	0.606	62%	0.617	S	S	*	*				-153.4	166.2	50.1	-74	-84	0	0	0	109.4	T1674	H1671-T1674 PolarHBondContact CE1-OG1 3.1Å; H1671-T1674 PolarHBondContact ND1-OG1 3.45Å
1672	S	28.1	Very low	30.7	Very low	109 Å²	109	103.1 Å²	103.1	76%	0.762	60%	0.597	S	S	*	*	S	Bend	cis	-155.7	156.3	32.7	84.4	0	0	0	0	112.7
1673	V	32.3	Very low	30.4	Very low	96 Å²	96	107.7 Å²	107.7	58%	0.582	60%	0.602	S	S	*	*	S	Bend	cis	-124.3	113.5	-4.3	-176.9	0	0	0	0	108.7
1674	T	32.6	Very low	29.8	Very low	33 Å²	33	108.6 Å²	108.6	20%	0.202	60%	0.596	C	S	.	*			trans	-60.6	-152.9	161.2	35.9	0	0	0	0	111.6	K258 H1671	K258-T1674 PolarHBondContact NZ-O 2.82Å; H1671-T1674 PolarHBondContact CE1-OG1 3.1Å; H1671-T1674 PolarHBondContact ND1-OG1 3.45Å
1675	N	31.6	Very low	28.7	Very low	77 Å²	77	106.8 Å²	106.8	41%	0.412	59%	0.588	S	S	.	*				145.9	119.1	119.6	-79.6	31.7	0	0	0	108.3
1676	N	33.4	Very low	28.8	Very low	79 Å²	79	106.3 Å²	106.3	42%	0.422	58%	0.583	S	S	.	*	S	Bend	cis	-139.4	178.6	-1	-96.7	29	0	0	0	107.4	C261 D1678	C261-N1676 PolarHBondContact N-O 3.23Å; N1676-D1678 PolarHBondContact ND2-OD1 3.47Å; N1676-D1678 PolarHBondContact ND2-OD2 3.14Å
1677	A	32.4	Very low	29.2	Very low	44 Å²	44	105.9 Å²	105.9	36%	0.364	59%	0.586	S	S	.	*			cis	-148.8	141.3	23.3	0	0	0	0	0	110.2	Y262	Y262-A1677 WeakPolarHBondContact CE2-O 3Å
1678	D	30.7	Very low	29.1	Very low	101 Å²	101	110.2 Å²	110.2	54%	0.54	60%	0.599	S	S	.	*				84.8	141.6	73.5	-51.4	-16.9	0	0	0	111.2	N1676	N1676-D1678 PolarHBondContact ND2-OD1 3.47Å; N1676-D1678 PolarHBondContact ND2-OD2 3.14Å
1679	S	27.5	Very low	28.6	Very low	93 Å²	93	110 Å²	110	65%	0.65	60%	0.598	S	S	*	*			cis	-170	161	-1.5	-111.2	0	0	0	0	113.7
1680	T	26.7	Very low	28.3	Very low	106 Å²	106	115.1 Å²	115.1	65%	0.65	61%	0.608	S	S	*	*			trans	57.6	156	146.7	55.3	0	0	0	0	121.2
1681	T	28.4	Very low	28.1	Very low	103 Å²	103	113.9 Å²	113.9	63%	0.632	61%	0.607	S	S	*	*			cis	-169.1	135.6	-9.4	26.6	0	0	0	0	106.5
1682	I	28	Very low	27.9	Very low	75 Å²	75	115.1 Å²	115.1	39%	0.385	62%	0.617	S	S	.	*				75.3	118.4	75.5	-68.3	173.6	0	0	0	115.6	N1666 H1667	N1666-I1682 HydrophobicContact CB-CD1 4.23Å; N1666-I1682 WeakPolarHBondContact ND2-CG2 3.47Å; N1666-I1682 VanDerWaalsContact O-CD1 3.26Å; N1666-I1682 WeakPolarHBondContact O-CD1 3.49Å; H1667-I1682 WeakPolarHBondContact CD2-CD1 3.26Å; H1667-I1682 VanDerWaalsContact NE2-CD1 3.33Å; H1667-I1682 WeakPolarHBondContact NE2-CD1 3.33Å
1683	E	27.3	Very low	27.8	Very low	190 Å²	190	114.3 Å²	114.3	89%	0.888	61%	0.611	S	S	*	*			trans	158.1	-176.3	138.5	-75.9	-137.7	151.5	0	0	113.3
1684	E	25.3	Very low	27.5	Very low	169 Å²	169	117 Å²	117	79%	0.79	62%	0.623	S	S	*	*			trans	-123.2	173	-131.4	-145.2	178.8	-159.3	0	0	117.3
1685	L	23.1	Very low	27	Very low	133 Å²	133	124.9 Å²	124.9	70%	0.696	65%	0.654	S	S	*	*			trans	74	105.5	159.4	-62.8	167.5	0	0	0	122.6
1686	I	26.5	Very low	26.5	Very low	152 Å²	152	126 Å²	126	78%	0.779	67%	0.668	S	S	*	*			trans	60.4	135.1	135.9	-61.3	175.4	0	0	0	118.8
1687	P	32.8	Very low	26.4	Very low	93 Å²	93	128.9 Å²	128.9	60%	0.604	69%	0.688	S	S	*	*			cis	-134.6	-177.5	21.3	26.4	-0.9	0	0	0	117.3
1688	Y	23.6	Very low	26.2	Very low	208 Å²	208	131.8 Å²	131.8	82%	0.816	70%	0.703	S	S	*	*			trans	68	154.4	167.8	-57.9	-75.5	0	0	0	118.4
1689	D	22	Very low	25.9	Very low	129 Å²	129	134 Å²	134	69%	0.69	72%	0.715	S	S	*	*			cis	-177.7	153.7	-44.9	-101.8	-1.1	0	0	0	108.9
1690	Y	23.4	Very low	25.7	Very low	202 Å²	202	134.8 Å²	134.8	79%	0.792	71%	0.711	S	S	*	*			cis	-146.7	167.9	-14.2	-168.4	-98.8	0	0	0	111.6
1691	S	25.6	Very low	25.6	Very low	69 Å²	69	137.9 Å²	137.9	48%	0.483	72%	0.716	S	S	.	*			trans	-73.6	156.9	-170.3	-46	0	0	0	0	120.7
1692	L	24.5	Very low	25.5	Very low	156 Å²	156	137.7 Å²	137.7	82%	0.817	72%	0.719	S	S	*	*			trans	62.1	123	131.1	-71.7	167.4	0	0	0	124.1
1693	S	25.6	Very low	25.8	Very low	92 Å²	92	142.8 Å²	142.8	64%	0.643	74%	0.741	S	S	*	*			trans	51.8	133.8	130.8	80	0	0	0	0	124.2
1694	N	26.1	Very low	25.8	Very low	153 Å²	153	140.3 Å²	140.3	82%	0.818	73%	0.734	S	S	*	*			trans	69.8	147.2	150.5	-73.9	-27.6	0	0	0	120.4
1695	K	22.8	Very low	26	Very low	198 Å²	198	136.9 Å²	136.9	86%	0.861	73%	0.726	S	S	*	*			trans	78.7	147.3	178.1	-56.9	-179.2	178.7	176.6	0	116.5
1696	S	21.3	Very low	26	Very low	102 Å²	102	139 Å²	139	71%	0.713	73%	0.73	S	S	*	*			trans	-3.6	128.2	161.2	51.5	0	0	0	0	119.6	P1698	S1696-P1698 WeakPolarHBondContact O-CD 3.37Å
1697	V	31.9	Very low	25.8	Very low	139 Å²	139	134.9 Å²	134.9	84%	0.842	71%	0.71	S	S	*	*			trans	-34.4	127.4	153.3	172.6	0	0	0	0	112.1
1698	P	27.3	Very low	25.4	Very low	104 Å²	104	134.2 Å²	134.2	68%	0.675	71%	0.707	S	S	*	*				-144.3	143.6	106.4	36.6	-20.9	0	0	0	116.5	S1696	S1696-P1698 WeakPolarHBondContact O-CD 3.37Å
1699	L	23.3	Very low	25.8	Very low	149 Å²	149	129.5 Å²	129.5	78%	0.78	71%	0.705	S	S	*	*				28.4	140.1	125.3	-71.1	166.3	0	0	0	119.9
1700	D	25	Very low	26	Very low	108 Å²	108	131.1 Å²	131.1	58%	0.578	71%	0.712	S	S	*	*			cis	-167.7	-172.4	1.9	-158.6	-4.1	0	0	0	111.2
1701	F	24.4	Very low	26.2	Very low	172 Å²	172	127.1 Å²	127.1	75%	0.754	71%	0.705	S	S	*	*			trans	78.4	132.9	168.4	-48.8	-70.2	0	0	0	116.2
1702	S	26.3	Very low	26.4	Very low	99 Å²	99	127.4 Å²	127.4	69%	0.692	70%	0.701	S	S	*	*	S	Bend	cis	-151.3	160.8	-3.3	64.4	0	0	0	0	109.1
1703	Q	33.8	Very low	26.4	Very low	181 Å²	181	124.5 Å²	124.5	85%	0.846	69%	0.694	S	S	*	*	S	Bend	cis	-123.3	113.5	15.2	-67.6	177.3	-13.6	0	0	113.7
1704	N	26.3	Very low	26.6	Very low	138 Å²	138	124.4 Å²	124.4	74%	0.738	69%	0.69	S	S	*	*			trans	61.3	148.1	141.8	-68.3	10.2	0	0	0	123.4
1705	P	30	Very low	26.5	Very low	97 Å²	97	121.9 Å²	121.9	63%	0.63	68%	0.684	S	S	*	*			trans	-133	173.1	-156.5	40.4	-21.4	0	0	0	114.9
1706	F	22.7	Very low	26.6	Very low	177 Å²	177	121.4 Å²	121.4	78%	0.776	68%	0.684	S	S	*	*			trans	-158.1	141.3	154.5	-89.2	-57.7	0	0	0	113
1707	N	23	Very low	27	Very low	67 Å²	67	119.7 Å²	119.7	36%	0.358	68%	0.682	S	S	.	*			trans	58.8	108	140.4	-55.9	-15.1	0	0	0	118.4	N1712	N1707-N1712 WeakPolarHBondContact ND2-CA 3.26Å; N1707-N1712 PolarHBondContact ND2-OD1 2.74Å
1708	S	23.9	Very low	27.2	Very low	78 Å²	78	121.5 Å²	121.5	55%	0.545	68%	0.679	S	S	.	*				79.3	139.7	76.2	77.9	0	0	0	0	113.3	N1712	S1708-N1712 WeakPolarHBondContact OG-CA 3.37Å; S1708-N1712 PolarHBondContact OG-N 3.24Å; S1708-N1712 VanDerWaalsContact OG-N 3.12Å; S1708-N1712 PolarHBondContact OG-O 2.96Å
1709	S	31.8	Very low	27.5	Very low	110 Å²	110	122.8 Å²	122.8	77%	0.769	68%	0.679	S	S	*	*	S	Bend		29.7	129.4	97	-164.5	0	0	0	0	113.9	D1711	S1709-D1711 PolarHBondContact O-N 3.37Å
1710	L	25.9	Very low	28.1	Very low	162 Å²	162	127.2 Å²	127.2	85%	0.848	69%	0.685	S	S	*	*	S	Bend	trans	-35.7	112.6	-169.6	176.8	68	0	0	0	112.1
1711	D	28.7	Very low	28.5	Very low	119 Å²	119	126.8 Å²	126.8	64%	0.636	69%	0.689	S	S	*	*	S	Bend	trans	41.8	93.2	178.5	-84.6	-62.7	0	0	0	116.7	S1709	S1709-D1711 PolarHBondContact O-N 3.37Å
1712	N	29.2	Very low	28.8	Very low	74 Å²	74	125 Å²	125	40%	0.396	69%	0.687	S	S	.	*			trans	73.5	-173.9	149.2	-43.6	-63	0	0	0	112.3	N1707 S1708	N1707-N1712 WeakPolarHBondContact ND2-CA 3.26Å; N1707-N1712 PolarHBondContact ND2-OD1 2.74Å; S1708-N1712 WeakPolarHBondContact OG-CA 3.37Å; S1708-N1712 PolarHBondContact OG-N 3.24Å; S1708-N1712 VanDerWaalsContact OG-N 3.12Å; S1708-N1712 PolarHBondContact OG-O 2.96Å
1713	S	25.2	Very low	28.9	Very low	95 Å²	95	125.1 Å²	125.1	66%	0.664	68%	0.68	S	S	*	*			cis	-157	130.3	32.9	42.7	0	0	0	0	110.9
1714	T	29	Very low	28.8	Very low	91 Å²	91	125 Å²	125	56%	0.558	67%	0.672	S	S	*	*				73.3	104	96.1	-50.7	0	0	0	0	113.9
1715	S	25.5	Very low	28.7	Very low	100 Å²	100	122.7 Å²	122.7	70%	0.699	66%	0.663	S	S	*	*			trans	-165.6	148.8	146	50.6	0	0	0	0	108.9
1716	H	24.4	Very low	28.4	Very low	188 Å²	188	122.7 Å²	122.7	87%	0.87	65%	0.651	S	S	*	*	S	Bend	cis	-117.9	147.2	8.6	-89.5	-93	0	0	0	114
1717	G	28.6	Very low	28.5	Very low	65 Å²	65	117.4 Å²	117.4	67%	0.67	64%	0.641	S	S	*	*	S	Bend	trans	87.7	95.3	177.7	0	0	0	0	0	112
1718	K	35.9	Very low	28.5	Very low	178 Å²	178	121.2 Å²	121.2	77%	0.774	66%	0.656	S	S	*	*			cis	-143.1	145.5	9.8	-81.9	-178.3	-176.6	175.9	0	107.6
1719	I	34.9	Very low	28.5	Very low	131 Å²	131	123.6 Å²	123.6	67%	0.672	67%	0.668	S	S	*	*				50.6	110	80.4	-66.8	166.8	0	0	0	108.1
1720	W	36.3	Very low	28	Very low	241 Å²	241	125.8 Å²	125.8	91%	0.913	67%	0.67	S	S	*	*			cis	-164.1	-170.2	30.9	-110.2	-5.4	0	0	0	113.5
1721	P	32.4	Very low	28.6	Very low	100 Å²	100	123.1 Å²	123.1	65%	0.649	66%	0.662	S	S	*	*			trans	-110.2	-155.5	-157.7	44.8	-38.7	0	0	0	117.6
1722	D	31.6	Very low	28.4	Very low	135 Å²	135	127.4 Å²	127.4	72%	0.722	68%	0.675	S	S	*	*			trans	95.2	145.8	168	-63.1	-14.2	0	0	0	118.3
1723	N	28.5	Very low	28.1	Very low	100 Å²	100	132 Å²	132	54%	0.535	69%	0.694	S	S	.	*			cis	-166.8	140.6	-18.9	-107.3	-34.3	0	0	0	114.1
1724	Y	30.1	Very low	28.1	Very low	178 Å²	178	134.9 Å²	134.9	70%	0.698	70%	0.701	S	S	*	*			trans	59.5	169.4	158.6	-53.1	117.1	0	0	0	123.7	N44 L45	N44-Y1724 PolarHBondContact ND2-O 3.13Å; N44-Y1724 VanDerWaalsContact ND2-O 3.11Å; L45-Y1724 VanDerWaalsContact CD1-CB 3.44Å; L45-Y1724 HydrophobicContact CD1-CG 4.04Å
1725	V	25.2	Very low	28.1	Very low	90 Å²	90	141.4 Å²	141.4	55%	0.545	72%	0.715	S	S	.	*			trans	-157.5	160	-164.9	63.4	0	0	0	0	114	N44 N46	N44-V1725 WeakPolarHBondContact OD1-CA 3.18Å; N46-V1725 PolarHBondContact N-O 2.92Å; N46-V1725 VanDerWaalsContact N-O 3.13Å
1726	Y	24.2	Very low	28.2	Very low	97 Å²	97	141.4 Å²	141.4	38%	0.38	71%	0.707	S	S	.	*	B	Isolated β-bridge	trans	-156.3	-159.4	152.1	-139.7	-1.2	0	0	0	122.7	N44 L45 N46 Q47 Q1728	N44-Y1726 PolarHBondContact OD1-N 3.15Å; L45-Y1726 VanDerWaalsContact CA-CB 3.45Å; L45-Y1726 WeakPolarHBondContact O-CD2 2.11Å; N46-Y1726 HydrophobicContact CB-CD2 3.39Å; N46-Y1726 HydrophobicContact CB-CE2 3.51Å; N46-Y1726 HydrophobicContact CB-CG 4.11Å; N46-Y1726 WeakPolarHBondContact O-CD1 3.28Å; N46-Y1726 WeakPolarHBondContact O-CD2 3.45Å; N46-Y1726 WeakPolarHBondContact O-CE1 3.36Å; N46-Y1726 WeakPolarHBondContact O-CE2 3.42Å; N46-Y1726 PolarHBondContact O-OH 2.72Å; Q47-Y1726 VanDerWaalsContact CA-OH 3.3Å; Q47-Y1726 WeakPolarHBondContact CA-OH 3.23Å; Q47-Y1726 HydrophobicContact CB-CD1 3.92Å; Q47-Y1726 HydrophobicContact CB-CE1 3.35Å; Q47-Y1726 HydrophobicContact CG-CE1 3.88Å; Q47-Y1726 PolarHBondContact N-OH 3Å; Y1726-Q1728 PolarHBondContact OH-NE2 3.04Å
1727	A	23.6	Very low	28.1	Very low	67 Å²	67	140.5 Å²	140.5	55%	0.554	70%	0.703	S	S	*	*			trans	-160.4	-163.2	-158.4	0	0	0	0	0	114	N46	N46-A1727 PolarHBondContact O-N 3.33Å
1728	Q	23	Very low	28	Very low	146 Å²	146	141.4 Å²	141.4	68%	0.682	71%	0.705	S	S	*	*			trans	71.8	149.2	172.3	-61	-160.2	-12.6	0	0	116.3	Y1726	Y1726-Q1728 PolarHBondContact OH-NE2 3.04Å
1729	V	23.7	Very low	27.5	Very low	129 Å²	129	139.9 Å²	139.9	78%	0.782	70%	0.701	S	S	*	*			cis	-153.7	172.5	-7.1	112.7	0	0	0	0	110.9
1730	L	21.7	Very low	27	Very low	156 Å²	156	141.7 Å²	141.7	82%	0.817	70%	0.704	S	S	*	*			trans	-67.5	171.4	175.5	-112.9	78.8	0	0	0	114.5
1731	P	38.3	Very low	26.5	Very low	105 Å²	105	135 Å²	135	68%	0.682	69%	0.69	S	S	*	*			trans	-91.2	178.3	-153.6	38.3	-41.7	0	0	0	116.3
1732	K	25.1	Very low	26.2	Very low	209 Å²	209	136.6 Å²	136.6	91%	0.909	69%	0.693	S	S	*	*			trans	-129.6	149.2	153.5	-80.4	-171.6	175.1	179.1	0	112
1733	H	23.6	Very low	26.1	Very low	171 Å²	171	136 Å²	136	79%	0.792	69%	0.688	S	S	*	*			trans	-82.7	169.3	179.5	-74.2	-110.4	0	0	0	112.9
1734	L	24	Very low	26.1	Very low	155 Å²	155	137.9 Å²	137.9	81%	0.812	70%	0.699	S	S	*	*			trans	61	101.3	154.6	-69.4	156.7	0	0	0	116.7
1735	R	28.6	Very low	26.1	Very low	229 Å²	229	134.1 Å²	134.1	86%	0.864	70%	0.698	S	S	*	*				-159.9	152.7	100.2	-108.1	174.1	-151.4	-83.3	-0.4	115.2
1736	D	27.7	Very low	26.4	Very low	100 Å²	100	137.3 Å²	137.3	54%	0.535	71%	0.705	S	S	.	*			trans	-30.7	137.4	162.6	-60.4	-81.2	0	0	0	117.9
1737	Q	23.7	Very low	26.7	Very low	168 Å²	168	137.8 Å²	137.8	79%	0.785	71%	0.714	S	S	*	*				57.9	155.8	119.1	-54.3	175	51	0	0	120.9
1738	A	25.4	Very low	27	Very low	85 Å²	85	141.8 Å²	141.8	70%	0.702	72%	0.721	S	S	*	*			trans	74	138	158.9	0	0	0	0	0	116.1
1739	Q	25.8	Very low	27	Very low	146 Å²	146	140.4 Å²	140.4	68%	0.682	72%	0.723	S	S	*	*			cis	-165.2	153.9	-4.9	-123.3	167.6	11.6	0	0	110
1740	F	24.6	Very low	27.4	Very low	168 Å²	168	141.4 Å²	141.4	74%	0.737	72%	0.722	S	S	*	*			trans	62.7	153.5	148.9	-64.4	-41.7	0	0	0	117.8
1741	T	24.8	Very low	27.4	Very low	102 Å²	102	138.3 Å²	138.3	63%	0.626	71%	0.71	S	S	*	*			cis	-152.9	171.3	-2.4	-2.9	0	0	0	0	109.4
1742	D	27.4	Very low	26.9	Very low	132 Å²	132	140.5 Å²	140.5	71%	0.706	71%	0.709	S	S	*	*			trans	67.1	146.8	141.6	-66.5	-12.8	0	0	0	119.2
1743	I	28.4	Very low	26.9	Very low	122 Å²	122	138 Å²	138	63%	0.626	70%	0.7	S	S	*	*			cis	-160.2	149	-0.5	-123.8	164.7	0	0	0	109.2
1744	N	28.4	Very low	27.1	Very low	141 Å²	141	133.2 Å²	133.2	75%	0.754	69%	0.686	S	S	*	*			trans	62.7	157.6	168	-65.3	-11.3	0	0	0	116.2
1745	S	31.7	Very low	28	Very low	99 Å²	99	133.9 Å²	133.9	69%	0.692	69%	0.691	S	S	*	*			cis	-162	156.6	-2.9	136.9	0	0	0	0	106.5
1746	F	31.8	Very low	28.4	Very low	156 Å²	156	126.1 Å²	126.1	68%	0.684	67%	0.67	S	S	*	*			cis	-156.9	172.4	-4.2	-121.3	-143.9	0	0	0	106
1747	D	30.4	Very low	28.4	Very low	108 Å²	108	129 Å²	129	58%	0.578	68%	0.678	S	S	*	*			trans	43.1	148	141.1	-64.7	1.1	0	0	0	123.1
1748	H	29.2	Very low	29	Very low	150 Å²	150	126.7 Å²	126.7	69%	0.694	67%	0.671	S	S	*	*			cis	-159.1	170.4	-9	-121.3	3.4	0	0	0	111.4	I1750	H1748-I1750 PolarHBondContact O-N 2.81Å; H1748-I1750 VanDerWaalsContact O-N 3.09Å
1749	T	22.6	Very low	29.4	Very low	117 Å²	117	127.7 Å²	127.7	72%	0.718	66%	0.664	S	S	*	*			trans	-58	99.6	171.2	47.2	0	0	0	0	114.3	T1751	T1749-T1751 PolarHBondContact O-OG1 2.86Å
1750	I	31.3	Very low	29.6	Very low	150 Å²	150	127.4 Å²	127.4	77%	0.769	67%	0.665	S	S	*	*			trans	-127.7	100.3	160.2	-63.5	179.2	0	0	0	104	H1748	H1748-I1750 PolarHBondContact O-N 2.81Å; H1748-I1750 VanDerWaalsContact O-N 3.09Å
1751	T	23.4	Very low	29.9	Very low	91 Å²	91	125.6 Å²	125.6	56%	0.558	66%	0.659	S	S	*	*				62.9	139.5	56.7	-42.9	0	0	0	0	111.4	T1749	T1749-T1751 PolarHBondContact O-OG1 2.86Å
1752	F	27.4	Very low	30.2	Very low	152 Å²	152	127.9 Å²	127.9	67%	0.667	66%	0.662	S	S	*	*			trans	75.3	131.6	-174.3	-51	-64.8	0	0	0	112
1753	Q	24	Very low	30.3	Very low	156 Å²	156	127.6 Å²	127.6	73%	0.729	66%	0.66	S	S	*	*				64.9	166.1	53.5	-168.3	-178.1	43	0	0	109.7
1754	S	29.2	Very low	30.2	Very low	71 Å²	71	128.7 Å²	128.7	50%	0.497	66%	0.663	S	S	.	*			trans	67.5	56	174.5	37.6	0	0	0	0	115.3	P1756	S1754-P1756 VanDerWaalsContact CB-CG 3.48Å; S1754-P1756 WeakPolarHBondContact O-CD 3.29Å
1755	D	41.4	Very low	30.1	Very low	168 Å²	168	129.3 Å²	129.3	90%	0.898	66%	0.659	S	S	*	*	S	Bend		-72.7	112.2	103.1	167.1	51.2	0	0	0	108.2
1756	P	37.8	Very low	29.8	Very low	67 Å²	67	130.2 Å²	130.2	44%	0.435	66%	0.656	S	S	.	*			trans	-153.3	-171.5	-179.3	50.5	-33.4	0	0	0	114.4	S1754	S1754-P1756 VanDerWaalsContact CB-CG 3.48Å; S1754-P1756 WeakPolarHBondContact O-CD 3.29Å
1757	F	28.1	Very low	29.7	Very low	161 Å²	161	128.9 Å²	128.9	71%	0.706	66%	0.656	S	S	*	*	S	Bend	cis	-104.4	141	-35	-73.5	-86.6	0	0	0	102.7
1758	N	35.1	Very low	29.4	Very low	118 Å²	118	130.5 Å²	130.5	63%	0.631	66%	0.664	S	S	*	*			cis	-176.4	178.8	13.1	-125	15.1	0	0	0	107
1759	D	34	Very low	29.4	Very low	106 Å²	106	132.1 Å²	132.1	57%	0.567	67%	0.669	S	S	*	*			cis	-165.8	156.9	-15.9	-133.7	-27.6	0	0	0	102.2
1760	M	29.8	Very low	29.5	Very low	140 Å²	140	131.6 Å²	131.6	69%	0.69	67%	0.666	S	S	*	*			cis	-153.1	142	24.1	-86.1	-152.5	-57.8	0	0	110.8
1761	Q	32.2	Very low	29.2	Very low	130 Å²	130	133.7 Å²	133.7	61%	0.607	67%	0.67	S	S	*	*				44.8	144	118	-50.7	170.2	35.6	0	0	120
1762	Q	30.6	Very low	29.2	Very low	150 Å²	150	136.5 Å²	136.5	70%	0.701	68%	0.676	S	S	*	*			cis	-162	170	1.6	-107.1	167.3	77	0	0	104.9
1763	L	29.2	Very low	29.3	Very low	126 Å²	126	136 Å²	136	66%	0.66	68%	0.676	S	S	*	*			cis	-152.2	146.8	10.6	-151.9	62.8	0	0	0	104.1
1764	E	27.4	Very low	29.5	Very low	145 Å²	145	137 Å²	137	68%	0.678	68%	0.678	S	S	*	*			cis	64.4	136.6	49.6	-63	-158	153	0	0	114.7
1765	F	25.5	Very low	29.5	Very low	155 Å²	155	139.6 Å²	139.6	68%	0.68	70%	0.696	S	S	*	*			cis	-169.7	166	-14.6	-123.9	-41.9	0	0	0	111.3
1766	N	26.5	Very low	28.7	Very low	118 Å²	118	138.5 Å²	138.5	63%	0.631	69%	0.689	S	S	*	*			trans	66.3	150.7	150.5	-62.5	-20.1	0	0	0	119.3
1767	N	28	Very low	28.1	Very low	128 Å²	128	141.7 Å²	141.7	68%	0.684	70%	0.702	S	S	*	*			cis	-152	145.8	-14.9	-96.2	-24.6	0	0	0	106.5
1768	L	24.2	Very low	28.1	Very low	141 Å²	141	143 Å²	143	74%	0.738	71%	0.708	S	S	*	*			cis	85.2	87.5	44.3	-150.8	179.8	0	0	0	114
1769	K	29	Very low	27.8	Very low	185 Å²	185	144.9 Å²	144.9	80%	0.804	71%	0.71	S	S	*	*			trans	164.7	108.1	147.6	-94.7	-169.2	176.7	-174.6	0	109.3
1770	T	26	Very low	27.6	Very low	106 Å²	106	145.3 Å²	145.3	65%	0.65	71%	0.713	S	S	*	*				83.1	112.5	75	57.9	0	0	0	0	116.2
1771	F	23.6	Very low	27.5	Very low	194 Å²	194	146.4 Å²	146.4	85%	0.851	72%	0.716	S	S	*	*			trans	79.9	142.1	146	-85	-77.4	0	0	0	123
1772	E	24.8	Very low	27.4	Very low	149 Å²	149	146.4 Å²	146.4	70%	0.696	72%	0.72	S	S	*	*			trans	77.6	131.5	155.8	-76.5	178.4	-152.2	0	0	122.2
1773	H	28.2	Very low	27.4	Very low	142 Å²	142	144.7 Å²	144.7	66%	0.657	72%	0.719	S	S	*	*			trans	50	139	137.3	-63.6	-27.5	0	0	0	121.3
1774	K	29.5	Very low	27.5	Very low	178 Å²	178	144.8 Å²	144.8	77%	0.774	72%	0.721	S	S	*	*			cis	-175.2	139.4	-15.9	-132.9	178	-180	178.9	0	106.2
1775	S	27.6	Very low	27.7	Very low	125 Å²	125	145.7 Å²	145.7	87%	0.874	72%	0.723	S	S	*	*			trans	64.2	167.8	162.5	-158.2	0	0	0	0	118.5
1776	L	26.3	Very low	27.9	Very low	144 Å²	144	144.8 Å²	144.8	75%	0.754	73%	0.725	S	S	*	*	S	Bend	trans	-74.2	143	174.8	-77.4	149.3	0	0	0	112.6
1777	N	24.4	Very low	28.1	Very low	134 Å²	134	144.6 Å²	144.6	72%	0.717	73%	0.732	S	S	*	*			trans	55.7	103	140.9	-69.8	-27.3	0	0	0	119.6
1778	K	29	Very low	28	Very low	190 Å²	190	145.7 Å²	145.7	83%	0.826	74%	0.737	S	S	*	*				-177.2	139.7	89.3	-101	164.2	-175.8	171.2	0	115.6
1779	K	27.9	Very low	28.3	Very low	156 Å²	156	144.2 Å²	144.2	68%	0.678	74%	0.735	S	S	*	*			trans	76.7	134.2	140.6	-79.1	-175	118.5	-64.5	0	121.5
1780	D	30	Very low	28.3	Very low	115 Å²	115	142.9 Å²	142.9	62%	0.615	73%	0.731	S	S	*	*			trans	63.5	140.8	148.6	-40.5	-19.7	0	0	0	118.7
1781	E	28.1	Very low	28.3	Very low	163 Å²	163	145.8 Å²	145.8	76%	0.762	74%	0.737	S	S	*	*			cis	-160.8	151.7	-15.4	-111.1	-170.6	128.7	0	0	111.5
1782	L	30	Very low	28.3	Very low	131 Å²	131	141.4 Å²	141.4	69%	0.686	73%	0.73	S	S	*	*			trans	45.1	130.8	150.4	-88.2	74.6	0	0	0	126.3
1783	T	30.7	Very low	28.6	Very low	113 Å²	113	142.8 Å²	142.8	69%	0.693	74%	0.74	S	S	*	*			trans	66.4	156.3	135.8	60	0	0	0	0	122
1784	D	31.9	Very low	28.3	Very low	128 Å²	128	140.3 Å²	140.3	68%	0.684	74%	0.744	S	S	*	*			cis	-159.6	149.2	-17.1	-119.4	-34.7	0	0	0	113.7
1785	K	31.3	Very low	28.6	Very low	165 Å²	165	137.2 Å²	137.2	72%	0.717	74%	0.742	S	S	*	*			trans	35.5	133	141.1	-75.2	175.9	179.2	-177	0	129.4
1786	D	29.3	Very low	28.5	Very low	136 Å²	136	138.8 Å²	138.8	73%	0.727	74%	0.74	S	S	*	*				77	154.4	122.9	-61.2	-24.2	0	0	0	126.6
1787	S	30.5	Very low	28.4	Very low	113 Å²	113	136 Å²	136	79%	0.79	73%	0.733	S	S	*	*			trans	91.9	151	159.7	78	0	0	0	0	121
1788	L	26.7	Very low	28.5	Very low	151 Å²	151	137.5 Å²	137.5	79%	0.791	74%	0.739	S	S	*	*			cis	-169	162.4	-39.9	-143.8	74.9	0	0	0	112.8
1789	T	29.4	Very low	28.2	Very low	111 Å²	111	132.2 Å²	132.2	68%	0.681	73%	0.731	S	S	*	*			trans	63.9	161.8	153.1	42	0	0	0	0	122.5
1790	Q	29.6	Very low	28	Very low	157 Å²	157	133.2 Å²	133.2	73%	0.734	74%	0.738	S	S	*	*			cis	-171.9	148.3	-37.7	-112.1	179.4	-2.6	0	0	112.6
1791	Q	26.1	Very low	27.6	Very low	166 Å²	166	132.2 Å²	132.2	78%	0.776	74%	0.74	S	S	*	*			trans	38.6	160.4	139.9	-64.9	-170.5	-29	0	0	123.9
1792	C	23.9	Very low	27.6	Very low	103 Å²	103	130.6 Å²	130.6	70%	0.696	74%	0.736	S	S	*	*			cis	-174.5	177	-18.6	-99.6	0	0	0	0	111.3
1793	I	29.9	Very low	27.3	Very low	178 Å²	178	132.5 Å²	132.5	91%	0.913	74%	0.741	S	S	*	*			trans	125	129.9	152.2	-64.1	161	0	0	0	116.6
1794	A	22.9	Very low	27	Very low	90 Å²	90	131.4 Å²	131.4	74%	0.744	74%	0.738	S	S	*	*			trans	-172.2	-174	171.2	0	0	0	0	0	109.2
1795	P	35.8	Very low	26.7	Very low	113 Å²	113	130.7 Å²	130.7	73%	0.734	74%	0.743	S	S	*	*			cis	-133.9	-139.2	-10	41.7	-19.9	0	0	0	112.7
1796	L	24.1	Very low	26.6	Very low	158 Å²	158	127.7 Å²	127.7	83%	0.827	74%	0.743	S	S	*	*			trans	89.6	150.5	169.8	-59.2	168.7	0	0	0	117.4
1797	S	25.7	Very low	26.6	Very low	85 Å²	85	126 Å²	126	59%	0.594	74%	0.741	S	S	*	*			cis	-177.8	175.1	-19.4	56.1	0	0	0	0	111.1
1798	I	25.3	Very low	26.3	Very low	165 Å²	165	125.8 Å²	125.8	85%	0.846	74%	0.736	S	S	*	*			trans	76.3	148	165.7	-59.1	162.7	0	0	0	114.6
1799	A	23.2	Very low	26.4	Very low	79 Å²	79	125 Å²	125	65%	0.653	73%	0.732	S	S	*	*			cis	-171.4	-169.6	-32.7	0	0	0	0	0	108.8
1800	E	23	Very low	26.3	Very low	178 Å²	178	123.8 Å²	123.8	83%	0.832	73%	0.729	S	S	*	*			trans	67.3	107.2	151.4	-77.2	-171	151.7	0	0	121.3
1801	S	23.4	Very low	26	Very low	94 Å²	94	123.8 Å²	123.8	66%	0.657	73%	0.733	S	S	*	*				105.7	164.5	107.7	77.1	0	0	0	0	119.7
1802	L	26.5	Very low	26.2	Very low	129 Å²	129	119.9 Å²	119.9	68%	0.675	73%	0.729	S	S	*	*			trans	71.9	112.1	170.2	-55.9	174.8	0	0	0	113.6
1803	Q	24.9	Very low	26.6	Very low	170 Å²	170	120.4 Å²	120.4	79%	0.794	73%	0.733	S	S	*	*				74.2	144.1	89.9	-74.9	178.2	5.1	0	0	113.1
1804	S	24.3	Very low	26.4	Very low	91 Å²	91	115.9 Å²	115.9	64%	0.636	72%	0.718	S	S	*	*			cis	-170.6	166.8	-10	51.6	0	0	0	0	109.2
1805	S	25.7	Very low	26.9	Very low	113 Å²	113	120 Å²	120	79%	0.79	72%	0.719	S	S	*	*			trans	63.3	161.7	170.7	74.2	0	0	0	0	114.3
1806	S	28.7	Very low	26.4	Very low	102 Å²	102	121.1 Å²	121.1	71%	0.713	72%	0.719	S	S	*	*			cis	-157.9	156.8	-3.4	8.8	0	0	0	0	107.4
1807	S	28.5	Very low	26.6	Very low	99 Å²	99	118 Å²	118	69%	0.692	71%	0.711	S	S	*	*			cis	-171.8	156.9	-10.5	46.6	0	0	0	0	109.8
1808	T	23.8	Very low	26.8	Very low	109 Å²	109	122.3 Å²	122.3	67%	0.669	72%	0.719	S	S	*	*			trans	13.3	123.8	145.5	62.3	0	0	0	0	118.8
1809	N	30.2	Very low	27	Very low	134 Å²	134	119.7 Å²	119.7	72%	0.717	71%	0.711	S	S	*	*				-170.3	145.5	90.7	-88.6	-52.3	0	0	0	108.8
1810	S	26.2	Very low	27.1	Very low	87 Å²	87	120.8 Å²	120.8	61%	0.608	71%	0.713	S	S	*	*			cis	69.6	140.4	49.9	113.3	0	0	0	0	111.7
1811	L	25.1	Very low	27.3	Very low	157 Å²	157	119.3 Å²	119.3	82%	0.822	71%	0.711	S	S	*	*			cis	-160.9	172.6	5.9	-126.4	160.2	0	0	0	110.3
1812	A	29.3	Very low	27.3	Very low	84 Å²	84	118.9 Å²	118.9	69%	0.694	71%	0.708	S	S	*	*			trans	30.4	108.6	150.8	0	0	0	0	0	121.9
1813	S	32.6	Very low	27.1	Very low	113 Å²	113	117.1 Å²	117.1	79%	0.79	71%	0.706	S	S	*	*				-173.7	138.1	116.6	52	0	0	0	0	108.5
1814	S	26	Very low	26.8	Very low	84 Å²	84	120.1 Å²	120.1	59%	0.587	71%	0.71	S	S	*	*			cis	66.9	128	46.6	-137.1	0	0	0	0	111.5
1815	F	31.7	Very low	26.7	Very low	177 Å²	177	121.4 Å²	121.4	78%	0.776	71%	0.71	S	S	*	*			cis	-139.5	165.6	26.6	-90.5	-87.3	0	0	0	115
1816	D	26.4	Very low	26.4	Very low	135 Å²	135	119.5 Å²	119.5	72%	0.722	70%	0.697	S	S	*	*			trans	3.9	155.8	147	-60.7	-28.6	0	0	0	122
1817	S	29.2	Very low	26	Very low	94 Å²	94	118.5 Å²	118.5	66%	0.657	69%	0.689	S	S	*	*			trans	87.1	140.3	158.9	-58.2	0	0	0	0	116.9
1818	K	28.6	Very low	25.7	Very low	175 Å²	175	120.4 Å²	120.4	76%	0.761	69%	0.687	S	S	*	*			cis	-157.5	151.6	-10.7	-120.8	161.2	-165.9	160.4	0	111.6
1819	T	30	Very low	25.7	Very low	110 Å²	110	120.1 Å²	120.1	68%	0.675	69%	0.69	S	S	*	*			trans	15.8	139.8	144.5	56.8	0	0	0	0	121.2
1820	S	25.9	Very low	25.3	Very low	102 Å²	102	121.1 Å²	121.1	71%	0.713	69%	0.685	S	S	*	*			trans	71.9	167.2	135.3	78.3	0	0	0	0	118.2
1821	L	26.8	Very low	25.2	Very low	147 Å²	147	122 Å²	122	77%	0.77	69%	0.691	S	S	*	*			cis	-145	-168.9	-9	-151.2	61.9	0	0	0	109.8
1822	S	23.5	Very low	25.4	Very low	85 Å²	85	122.2 Å²	122.2	59%	0.594	69%	0.688	S	S	*	*			trans	-19.7	138.5	155.9	54.2	0	0	0	0	116.6
1823	S	21.5	Very low	25.1	Very low	92 Å²	92	125.1 Å²	125.1	64%	0.643	69%	0.69	S	S	*	*				62.2	119.6	65.7	166.2	0	0	0	0	114
1824	W	19.9	Very low	24.9	Very low	232 Å²	232	124.7 Å²	124.7	88%	0.879	69%	0.685	S	S	*	*			trans	80.9	152.5	161.8	-70.5	27.9	0	0	0	119.3
1825	N	20.4	Very low	24.8	Very low	119 Å²	119	125.5 Å²	125.5	64%	0.636	69%	0.69	S	S	*	*			trans	67.6	87.4	164.7	-62.8	-8.2	0	0	0	118.4
1826	S	20	Very low	24.5	Very low	73 Å²	73	126 Å²	126	51%	0.51	69%	0.692	S	S	.	*				58.5	141.1	107.9	-58	0	0	0	0	120.8
1827	S	20.7	Very low	24.3	Very low	80 Å²	80	123.4 Å²	123.4	56%	0.559	69%	0.685	S	S	*	*			trans	72.3	121.7	164.4	10.4	0	0	0	0	113.8
1828	E	22.2	Very low	24	Very low	139 Å²	139	124.7 Å²	124.7	65%	0.65	68%	0.68	S	S	*	*				63.5	111.6	62.3	-179.4	-161.7	-99.6	0	0	110.8
1829	S	22.4	Very low	23.7	Very low	103 Å²	103	121.5 Å²	121.5	72%	0.72	67%	0.668	S	S	*	*			trans	-173.2	109.7	136.8	-87.2	0	0	0	0	115.5
1830	Y	22.4	Very low	23.2	Very low	155 Å²	155	120.1 Å²	120.1	61%	0.608	66%	0.662	S	S	*	*			trans	52.9	105.1	132.7	-68.6	-83.3	0	0	0	121.8	F2399	Y1830-F2399 HydrophobicContact CD1-CE1 4.12Å; Y1830-F2399 HydrophobicContact CD2-CE1 4.06Å; Y1830-F2399 AromaticContact CE1-CE1 3.72Å; Y1830-F2399 HydrophobicContact CE1-CE1 3.72Å; Y1830-F2399 HydrophobicContact CE1-CZ 4.11Å; Y1830-F2399 HydrophobicContact CE2-CD1 4.13Å; Y1830-F2399 AromaticContact CE2-CE1 3.7Å; Y1830-F2399 HydrophobicContact CE2-CE1 3.7Å; Y1830-F2399 HydrophobicContact CG-CE1 4.28Å; Y1830-F2399 AromaticContact CZ-CE1 3.52Å
1831	S	25.2	Very low	23.2	Very low	107 Å²	107	121.4 Å²	121.4	75%	0.748	66%	0.656	S	S	*	*				-155.3	139.3	113	10.9	0	0	0	0	109.5
1832	Q	28.1	Very low	23.2	Very low	161 Å²	161	117.5 Å²	117.5	75%	0.752	64%	0.639	S	S	*	*			cis	-163.1	136.4	-4.5	-111.4	161.5	-22.8	0	0	110.1
1833	I	24.1	Very low	23.2	Very low	145 Å²	145	118.2 Å²	118.2	74%	0.744	64%	0.641	S	S	*	*			trans	57.4	134.9	133.3	-62.5	174.5	0	0	0	119.8
1834	P	28.2	Very low	23.3	Very low	103 Å²	103	118.1 Å²	118.1	67%	0.669	63%	0.633	S	S	*	*			cis	-149.3	175.9	-24.2	42.5	-22.2	0	0	0	117.9
1835	S	23.1	Very low	23.5	Very low	101 Å²	101	111 Å²	111	71%	0.706	61%	0.612	S	S	*	*			trans	78.5	136.7	139.5	73	0	0	0	0	125
1836	K	25.8	Very low	23.7	Very low	189 Å²	189	110.1 Å²	110.1	82%	0.822	62%	0.615	S	S	*	*			trans	87	125.2	139.4	-91.9	-175.4	178.2	-173.4	0	122.9
1837	S	22.1	Very low	23.9	Very low	80 Å²	80	113.5 Å²	113.5	56%	0.559	63%	0.628	S	S	*	*				31.2	138	129.7	63	0	0	0	0	121
1838	E	23.1	Very low	24.1	Very low	121 Å²	121	116 Å²	116	57%	0.565	63%	0.632	S	S	*	*			cis	-152.7	-99.7	7.5	-149.8	117.9	-139.3	0	0	116	I271	I271-E1838 CarbonylContact O-C 3Å; I271-E1838 WeakPolarHBondContact O-CA 3.4Å; I271-E1838 PolarHBondContact O-N 3.4Å
1839	Q	22.2	Very low	24.1	Very low	107 Å²	107	114.6 Å²	114.6	50%	0.5	63%	0.629	S	S	.	*			trans	-129.6	118.9	-143.2	178.9	-179.5	17	0	0	116.4	I271 E272	I271-Q1839 CarbonylContact C-O 3.59Å; I271-Q1839 VanDerWaalsContact CA-O 3.26Å; I271-Q1839 WeakPolarHBondContact CA-O 3.41Å; I271-Q1839 PolarHBondContact O-N 3.29Å; E272-Q1839 PolarHBondContact N-O 2.95Å
1840	C	20.3	Very low	24.2	Very low	81 Å²	81	114.3 Å²	114.3	55%	0.547	62%	0.619	S	S	.	*			trans	59	135.8	152.2	-62.6	0	0	0	0	120.4	E272 N273	E272-C1840 VanDerWaalsContact C-C 3.45Å; E272-C1840 CarbonylContact C-O 3.56Å; E272-C1840 PolarHBondContact O-N 3.3Å; N273-C1840 VanDerWaalsContact N-C 3.25Å; N273-C1840 PolarHBondContact N-O 3.17Å
1841	H	25.6	Very low	24.5	Very low	129 Å²	129	116.4 Å²	116.4	60%	0.597	63%	0.632	S	S	*	*				-176.2	127.6	120.5	-111.3	-78.3	0	0	0	111.8	N273 N274	N273-H1841 CarbonylContact C-O 3.46Å; N273-H1841 WeakPolarHBondContact CA-O 3.34Å; N274-H1841 PolarHBondContact N-O 3.16Å
1842	V	26.2	Very low	24.5	Very low	66 Å²	66	116.7 Å²	116.7	40%	0.4	62%	0.624	S	S	.	*			trans	-136.6	120.4	170.1	-158.3	0	0	0	0	108.1
1843	P	24.4	Very low	24.2	Very low	100 Å²	100	115.7 Å²	115.7	65%	0.649	62%	0.623	S	S	*	*				-134.2	151.3	112.7	34.4	-20	0	0	0	110.4
1844	L	22.5	Very low	24.3	Very low	90 Å²	90	115.6 Å²	115.6	47%	0.471	62%	0.619	S	S	.	*				53	129.8	67.5	-71.7	165.6	0	0	0	111.9
1845	N	24.3	Very low	24.1	Very low	81 Å²	81	116.9 Å²	116.9	43%	0.433	63%	0.63	S	S	.	*			cis	-154.5	152.5	7	-159.7	-10.5	0	0	0	110.4	L1880 D1881	N1845-L1880 PolarHBondContact ND2-O 3.43Å; N1845-D1881 VanDerWaalsContact ND2-CG 3.27Å; N1845-D1881 PolarHBondContact ND2-OD1 3.04Å; N1845-D1881 VanDerWaalsContact ND2-OD1 3.07Å; N1845-D1881 PolarHBondContact ND2-OD2 3.41Å
1846	S	24	Very low	24.1	Very low	102 Å²	102	116.8 Å²	116.8	71%	0.713	62%	0.621	S	S	*	*			trans	-142.1	104.9	178.7	62.4	0	0	0	0	112.3
1847	N	25.7	Very low	24.1	Very low	143 Å²	143	113.8 Å²	113.8	77%	0.765	61%	0.606	S	S	*	*			trans	59	131.5	174.5	-68.2	-31.8	0	0	0	115.8
1848	M	24.2	Very low	24.4	Very low	134 Å²	134	117.3 Å²	117.3	66%	0.66	62%	0.617	S	S	*	*			cis	-139	162.7	35.8	-78.6	-72.7	-163.3	0	0	113.6	L1880	M1848-L1880 WeakPolarHBondContact O-CD2 3.23Å
1849	N	23.3	Very low	24.4	Very low	108 Å²	108	118.9 Å²	118.9	58%	0.578	63%	0.629	S	S	*	*			trans	70.5	92.6	166.1	-51.6	-43	0	0	0	116.6
1850	N	24	Very low	24.5	Very low	97 Å²	97	117.2 Å²	117.2	52%	0.519	62%	0.621	S	S	.	*				177.4	111	94.9	-91.4	-69.4	0	0	0	113.3
1851	K	28.8	Very low	24.7	Very low	199 Å²	199	116.8 Å²	116.8	87%	0.865	62%	0.619	S	S	*	*				-127	121	127.9	-78.8	-169.9	175.9	-177.8	0	105.8
1852	L	23.7	Very low	24.8	Very low	114 Å²	114	120.1 Å²	120.1	60%	0.597	63%	0.632	S	S	*	*				68.7	107.6	63.9	-70	168.8	0	0	0	112.9
1853	I	23.1	Very low	24.7	Very low	139 Å²	139	122.9 Å²	122.9	71%	0.713	64%	0.639	S	S	*	*				66.6	124.8	128.2	-67.2	-178	0	0	0	118.1
1854	H	25	Very low	24.8	Very low	144 Å²	144	123.7 Å²	123.7	67%	0.667	63%	0.634	S	S	*	*			trans	66.3	94.9	161.4	-76	-144.4	0	0	0	118.4
1855	S	23.9	Very low	25.2	Very low	130 Å²	130	129 Å²	129	91%	0.909	65%	0.653	S	S	*	*				-110.2	80	102.4	64.6	0	0	0	0	109.8
1856	L	24.3	Very low	25.4	Very low	98 Å²	98	128.9 Å²	128.9	51%	0.513	66%	0.663	S	S	.	*			trans	-96.8	126.6	157.5	-127.2	-174.8	0	0	0	106.1
1857	Y	25	Very low	25.6	Very low	127 Å²	127	127.5 Å²	127.5	50%	0.498	65%	0.654	S	S	.	*			trans	68.8	150.4	-177.3	-48	-58.8	0	0	0	114.2	Q1860	Y1857-Q1860 VanDerWaalsContact CD1-CA 3.48Å; Y1857-Q1860 HydrophobicContact CD1-CB 3.33Å; Y1857-Q1860 HydrophobicContact CD1-CG 3.69Å; Y1857-Q1860 HydrophobicContact CD2-CB 4.04Å; Y1857-Q1860 VanDerWaalsContact CD2-CD 3.46Å; Y1857-Q1860 HydrophobicContact CD2-CG 3.98Å; Y1857-Q1860 HydrophobicContact CE1-CB 3.74Å; Y1857-Q1860 HydrophobicContact CE1-CG 3.55Å; Y1857-Q1860 HydrophobicContact CE2-CB 4.41Å; Y1857-Q1860 HydrophobicContact CE2-CG 3.88Å; Y1857-Q1860 VanDerWaalsContact CE2-NE2 3.29Å; Y1857-Q1860 HydrophobicContact CG-CB 3.46Å; Y1857-Q1860 VanDerWaalsContact CG-CB 3.46Å; Y1857-Q1860 HydrophobicContact CG-CG 3.87Å
1858	I	28.1	Very low	25.7	Very low	154 Å²	154	128 Å²	128	79%	0.79	66%	0.655	S	S	*	*	S	Bend	cis	-109.1	147.5	18	-64.3	156.7	0	0	0	109.6
1859	N	24.4	Very low	25.8	Very low	153 Å²	153	128.9 Å²	128.9	82%	0.818	66%	0.662	S	S	*	*	S	Bend	cis	-85.6	102.4	12.9	-69.3	-48.1	0	0	0	114.4
1860	Q	24.7	Very low	26	Very low	73 Å²	73	128.2 Å²	128.2	34%	0.341	67%	0.666	S	S	.	*			trans	-75.4	171.2	133.9	-151.5	167.6	14.1	0	0	107.8	Y1857 F1863	Y1857-Q1860 VanDerWaalsContact CD1-CA 3.48Å; Y1857-Q1860 HydrophobicContact CD1-CB 3.33Å; Y1857-Q1860 HydrophobicContact CD1-CG 3.69Å; Y1857-Q1860 HydrophobicContact CD2-CB 4.04Å; Y1857-Q1860 VanDerWaalsContact CD2-CD 3.46Å; Y1857-Q1860 HydrophobicContact CD2-CG 3.98Å; Y1857-Q1860 HydrophobicContact CE1-CB 3.74Å; Y1857-Q1860 HydrophobicContact CE1-CG 3.55Å; Y1857-Q1860 HydrophobicContact CE2-CB 4.41Å; Y1857-Q1860 HydrophobicContact CE2-CG 3.88Å; Y1857-Q1860 VanDerWaalsContact CE2-NE2 3.29Å; Y1857-Q1860 HydrophobicContact CG-CB 3.46Å; Y1857-Q1860 VanDerWaalsContact CG-CB 3.46Å; Y1857-Q1860 HydrophobicContact CG-CG 3.87Å; Q1860-F1863 HydrophobicContact CG-CE2 4.21Å
1861	S	24.2	Very low	26.1	Very low	72 Å²	72	131 Å²	131	50%	0.503	68%	0.676	S	S	.	*			trans	72.2	140.7	146.9	80.5	0	0	0	0	115.7	F1863	S1861-F1863 VanDerWaalsContact CB-CD2 3.46Å
1862	K	27.4	Very low	26	Very low	198 Å²	198	127.6 Å²	127.6	86%	0.861	66%	0.663	S	S	*	*			cis	-93.7	138.5	23.3	-64.1	-174.3	177.4	175.2	0	112.9
1863	F	23.9	Very low	26.1	Very low	125 Å²	125	130.4 Å²	130.4	55%	0.548	67%	0.673	S	S	.	*			cis	60.8	145.1	49.9	-75.7	-154.6	0	0	0	110.4	Q1860 S1861	Q1860-F1863 HydrophobicContact CG-CE2 4.21Å; S1861-F1863 VanDerWaalsContact CB-CD2 3.46Å
1864	E	26.6	Very low	26.1	Very low	117 Å²	117	129.2 Å²	129.2	55%	0.547	67%	0.668	S	S	.	*			cis	-157.3	163.9	-4.1	-120.4	178.2	136.5	0	0	105.5	S1867	E1864-S1867 WeakPolarHBondContact OE1-CB 3.24Å; E1864-S1867 PolarHBondContact OE1-OG 3.44Å
1865	K	30.9	Very low	26.1	Very low	200 Å²	200	128.7 Å²	128.7	87%	0.87	67%	0.665	S	S	*	*	S	Bend		-162.8	156.7	59.7	-79.6	-179.8	-179.2	176.9	0	108.6
1866	A	28.9	Very low	26	Very low	79 Å²	79	133.3 Å²	133.3	65%	0.653	67%	0.665	S	S	*	*			cis	-149.8	139.3	-9.6	0	0	0	0	0	105.5
1867	S	26.9	Very low	26	Very low	74 Å²	74	132 Å²	132	52%	0.517	66%	0.664	S	S	.	*				62.5	112.2	61.3	-52.8	0	0	0	0	111.8	E1864	E1864-S1867 WeakPolarHBondContact OE1-CB 3.24Å; E1864-S1867 PolarHBondContact OE1-OG 3.44Å
1868	L	28.7	Very low	26	Very low	152 Å²	152	133.5 Å²	133.5	80%	0.796	68%	0.681	S	S	*	*				179.4	115.3	120	-89.9	178.6	0	0	0	111
1869	L	26.8	Very low	25.9	Very low	153 Å²	153	132.3 Å²	132.3	80%	0.801	68%	0.676	S	S	*	*			trans	51.1	148.3	143.3	-82.7	46	0	0	0	121.7
1870	S	27.8	Very low	25.9	Very low	95 Å²	95	127.5 Å²	127.5	66%	0.664	65%	0.65	S	S	*	*			cis	-175.1	153.6	-22.9	56.9	0	0	0	0	106.3
1871	Q	24.4	Very low	26	Very low	154 Å²	154	128.7 Å²	128.7	72%	0.72	66%	0.658	S	S	*	*				40	141.2	64.8	-85.5	-178.5	-66.3	0	0	114.4
1872	E	26.4	Very low	26	Very low	128 Å²	128	131.2 Å²	131.2	60%	0.598	66%	0.66	S	S	*	*			cis	-144	-172.2	-8.8	-156.5	125.8	-111.4	0	0	105.3	L1874	E1872-L1874 HydrophobicContact CG-CB 4.39Å; E1872-L1874 HydrophobicContact CG-CD1 3.74Å; E1872-L1874 HydrophobicContact CG-CG 4.05Å
1873	Q	26.3	Very low	25.9	Very low	174 Å²	174	128.2 Å²	128.2	81%	0.813	66%	0.659	S	S	*	*			cis	-144.3	164.8	23.7	-58.2	178.5	-12.3	0	0	108.5
1874	L	23	Very low	25.9	Very low	114 Å²	114	127.2 Å²	127.2	60%	0.597	66%	0.659	S	S	*	*			cis	70.1	139	31	-60.4	-175.9	0	0	0	112.9	E1872	E1872-L1874 HydrophobicContact CG-CB 4.39Å; E1872-L1874 HydrophobicContact CG-CD1 3.74Å; E1872-L1874 HydrophobicContact CG-CG 4.05Å
1875	Q	24.7	Very low	25.9	Very low	132 Å²	132	134 Å²	134	62%	0.617	68%	0.68	S	S	*	*			cis	-163.2	145.2	-11.6	-153.1	173.6	40.3	0	0	110.1
1876	Y	22.7	Very low	25.5	Very low	227 Å²	227	129 Å²	129	89%	0.89	67%	0.671	S	S	*	*			trans	-149	109.5	146.2	-90.9	-84.6	0	0	0	105.9
1877	S	23.5	Very low	25.3	Very low	72 Å²	72	133 Å²	133	50%	0.503	68%	0.681	S	S	.	*				65.8	115.4	76.1	-57.3	0	0	0	0	110.6
1878	N	26	Very low	25.1	Very low	158 Å²	158	137.3 Å²	137.3	85%	0.845	70%	0.698	S	S	*	*			cis	-134	162.8	42.5	-66.8	-38.7	0	0	0	116.1
1879	N	25.5	Very low	25	Very low	129 Å²	129	137.8 Å²	137.8	69%	0.69	70%	0.7	S	S	*	*			trans	-91	-175.6	166.2	-54.4	-82.3	0	0	0	109.7
1880	L	24.5	Very low	25	Very low	52 Å²	52	135 Å²	135	27%	0.272	69%	0.692	S	S	.	*			cis	-157	148.1	1.7	-154.7	66.4	0	0	0	103.7	N1845 M1848 K1882	N1845-L1880 PolarHBondContact ND2-O 3.43Å; M1848-L1880 WeakPolarHBondContact O-CD2 3.23Å; L1880-K1882 HydrophobicContact CD1-CB 4.45Å; L1880-K1882 HydrophobicContact CD1-CD 4.05Å
1881	D	27	Very low	25	Very low	97 Å²	97	139.6 Å²	139.6	52%	0.519	70%	0.702	S	S	.	*			cis	-149.1	157.2	48.1	-50.2	-53.6	0	0	0	110.9	N1845	N1845-D1881 VanDerWaalsContact ND2-CG 3.27Å; N1845-D1881 PolarHBondContact ND2-OD1 3.04Å; N1845-D1881 VanDerWaalsContact ND2-OD1 3.07Å; N1845-D1881 PolarHBondContact ND2-OD2 3.41Å
1882	K	25	Very low	25.3	Very low	125 Å²	125	141 Å²	141	54%	0.543	71%	0.706	S	S	.	*			cis	77.9	59.8	10.6	-66.1	-167.5	176.3	175.8	0	119.7	L1880	L1880-K1882 HydrophobicContact CD1-CB 4.45Å; L1880-K1882 HydrophobicContact CD1-CD 4.05Å
1883	T	25.4	Very low	25.9	Very low	135 Å²	135	140 Å²	140	83%	0.828	71%	0.713	S	S	*	*				-88.4	100.5	123.9	46.3	0	0	0	0	107.3
1884	N	23.7	Very low	27.2	Very low	104 Å²	104	137.8 Å²	137.8	56%	0.556	70%	0.701	S	S	*	*				56	54.7	61.6	-64.9	-9.9	0	0	0	114	S1886	N1884-S1886 PolarHBondContact O-N 3.14Å
1885	W	25.5	Very low	29.3	Very low	259 Å²	259	135.2 Å²	135.2	98%	0.981	68%	0.683	S	S	*	*			trans	-87.1	81.4	146.2	-85.8	14.8	0	0	0	109.4
1886	S	22.1	Very low	31.8	Very low	97 Å²	97	131.4 Å²	131.4	68%	0.678	67%	0.669	S	S	*	*			trans	-156.3	139.9	167.4	-72.2	0	0	0	0	108	N1884	N1884-S1886 PolarHBondContact O-N 3.14Å
1887	N	24.5	Very low	34.8	Very low	161 Å²	161	120.6 Å²	120.6	86%	0.861	63%	0.627	S	S	*	*	S	Bend	trans	68	36.2	176.5	-54.3	-12.6	0	0	0	117.2
1888	D	24.5	Very low	37.9	Very low	166 Å²	166	120.1 Å²	120.1	89%	0.888	61%	0.614	S	S	*	*			trans	-109.4	84.9	136.4	-107.1	-40.9	0	0	0	108.1	P1890	D1888-P1890 VanDerWaalsContact O-CD 3.29Å; D1888-P1890 WeakPolarHBondContact O-CD 3.43Å
1889	L	24.8	Very low	40.9	Very low	161 Å²	161	114.2 Å²	114.2	84%	0.843	58%	0.581	S	S	*	*			trans	-90	104.7	169.2	-154.9	85.4	0	0	0	106.8	Q1891	L1889-Q1891 PolarHBondContact O-N 3.01Å
1890	P	27.3	Very low	44	Very low	95 Å²	95	108.1 Å²	108.1	62%	0.617	55%	0.548	S	S	*	.			trans	-59.9	134.8	175	25.1	-33.3	0	0	0	109.2	D1888 K1892	D1888-P1890 VanDerWaalsContact O-CD 3.29Å; D1888-P1890 WeakPolarHBondContact O-CD 3.43Å; P1890-K1892 PolarHBondContact O-N 3.46Å
1891	Q	27.5	Very low	47.1	Very low	191 Å²	191	108 Å²	108	89%	0.893	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.9	129.5	-178.2	-62.2	170.8	-47.5	0	0	111.3	L1889 S1893	L1889-Q1891 PolarHBondContact O-N 3.01Å; Q1891-S1893 PolarHBondContact O-N 2.95Å
1892	K	32.3	Very low	50	Low	184 Å²	184	107.3 Å²	107.3	80%	0.8	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	21.5	80.4	173.8	-73.8	-174.4	176.4	-178.5	0	113	P1890 K1894	P1890-K1892 PolarHBondContact O-N 3.46Å; K1892-K1894 PolarHBondContact O-N 3.46Å
1893	S	37.3	Very low	53.1	Low	106 Å²	106	102.4 Å²	102.4	74%	0.741	52%	0.517	S	S	*	.			trans	-46.2	104.6	177.8	-176.6	0	0	0	0	110.7	Q1891 R1895	Q1891-S1893 PolarHBondContact O-N 2.95Å; S1893-R1895 PolarHBondContact O-N 3.01Å; S1893-R1895 VanDerWaalsContact O-N 3.13Å
1894	K	54.5	Low	56.2	Low	129 Å²	129	96 Å²	96	56%	0.561	48%	0.478	S	S	*	.			trans	-65.8	117.4	-172.7	-73.8	-170.6	170.1	-175.2	0	107.5	K1892 V1896 E1970	K1892-K1894 PolarHBondContact O-N 3.46Å; K1894-V1896 PolarHBondContact O-N 3.19Å; K1894-E1970 VanDerWaalsContact CD-CD 3.49Å; K1894-E1970 HydrophobicContact CD-CG 4.4Å; K1894-E1970 WeakPolarHBondContact CD-OE1 3.38Å; K1894-E1970 WeakPolarHBondContact CD-OE2 3.33Å; K1894-E1970 IonicContact NZ-OE1 2.74Å; K1894-E1970 PolarHBondContact NZ-OE1 3.23Å
1895	R	66.2	Low	59.3	Low	59 Å²	59	95 Å²	95	22%	0.223	47%	0.469	C	S	.	.			trans	-49.6	104.3	-176.1	-86.3	178.1	138.4	163	-0.1	110.1	E141 E144 L145 S1893 G1897 R1898	E141-R1895 PolarHBondContact O-NH1 3.4Å; E141-R1895 VanDerWaalsContact O-NH1 3.13Å; E141-R1895 PolarHBondContact O-NH2 2.91Å; E141-R1895 IonicContact OE2-CZ 2.62Å; E141-R1895 IonicContact OE2-NH1 3.91Å; E141-R1895 PolarHBondContact OE2-NH1 3.36Å; E144-R1895 PolarHBondContact O-NH2 3.18Å; L145-R1895 VanDerWaalsContact CG-NH2 3.28Å; S1893-R1895 PolarHBondContact O-N 3.01Å; S1893-R1895 VanDerWaalsContact O-N 3.13Å; R1895-G1897 PolarHBondContact O-N 3.41Å; R1895-R1898 VanDerWaalsContact O-CB 3.3Å; R1895-R1898 WeakPolarHBondContact O-CB 3.33Å; R1895-R1898 PolarHBondContact O-N 3.06Å
1896	V	78.9	Confident	62.3	Low	53 Å²	53	90.6 Å²	90.6	32%	0.321	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	129.5	-179.4	178.6	0	0	0	0	110	K1894 L1971 V1977 H1982	K1894-V1896 PolarHBondContact O-N 3.19Å; V1896-L1971 HydrophobicContact CG1-CD2 4.1Å; V1896-L1971 HydrophobicContact CG2-CD2 4.02Å; V1896-V1977 HydrophobicContact CG1-CB 3.92Å; V1896-V1977 HydrophobicContact CG1-CG2 3.8Å; V1896-H1982 PolarHBondContact O-CE1 2.94Å
1897	G	83.8	Confident	65.4	Low	0 Å²	0	87 Å²	87	0%	0	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.5	9.8	-170	0	0	0	0	0	115	R1895 I1900 K1901 E1967	R1895-G1897 PolarHBondContact O-N 3.41Å; G1897-I1900 PolarHBondContact O-N 2.9Å; G1897-K1901 WeakPolarHBondContact O-CB 3.24Å; G1897-K1901 PolarHBondContact O-N 3.47Å; G1897-E1967 VanDerWaalsContact CA-OE1 3.3Å; G1897-E1967 WeakPolarHBondContact CA-OE1 3.48Å; G1897-E1967 PolarHBondContact N-OE1 2.79Å
1898	R	89.3	Confident	68.4	Low	61 Å²	61	80.7 Å²	80.7	23%	0.23	39%	0.392	C	S	.	.	H	α-helix	trans	-61.4	-47.6	-176.6	-168.9	178.1	-161.1	-145.7	1.3	111.7	D134 R1895 I1900 K1901 K1902 E1967	D134-R1898 IonicContact OD1-CZ 3.3Å; D134-R1898 IonicContact OD1-NH1 2.74Å; D134-R1898 PolarHBondContact OD1-NH1 3.25Å; D134-R1898 IonicContact OD1-NH2 3.11Å; D134-R1898 PolarHBondContact OD1-NH2 3.23Å; D134-R1898 IonicContact OD2-NH1 3.36Å; R1895-R1898 VanDerWaalsContact O-CB 3.3Å; R1895-R1898 WeakPolarHBondContact O-CB 3.33Å; R1895-R1898 PolarHBondContact O-N 3.06Å; R1898-I1900 VanDerWaalsContact C-N 3.3Å; R1898-I1900 PolarHBondContact O-N 3.27Å; R1898-K1901 PolarHBondContact O-N 3.49Å; R1898-K1902 WeakPolarHBondContact O-CB 3.16Å; R1898-K1902 PolarHBondContact O-N 3.36Å; R1898-E1967 PolarHBondContact N-OE1 2.91Å
1899	H	88.8	Confident	71.4	Confident	34 Å²	34	77 Å²	77	16%	0.157	38%	0.375	C	S	.	.	H	α-helix	trans	-70.1	-29.9	179.5	-65.2	89.5	0	0	0	112.1	F1903 A1963 R1966 E1967 E1970	H1899-F1903 WeakPolarHBondContact O-CB 3.25Å; H1899-F1903 PolarHBondContact O-N 3.37Å; H1899-A1963 HydrophobicContact CB-CB 4.26Å; H1899-R1966 HydrophobicContact CB-CB 4.36Å; H1899-E1967 WeakPolarHBondContact CB-OE2 3.22Å; H1899-E1967 IonicContact CG-OE2 2.94Å; H1899-E1967 PolarHBondContact N-OE2 2.84Å; H1899-E1967 IonicContact ND1-OE2 3.42Å; H1899-E1967 PolarHBondContact ND1-OE2 2.97Å; H1899-E1970 IonicContact CE1-OE1 3.13Å; H1899-E1970 IonicContact CE1-OE2 3.04Å; H1899-E1970 PolarHBondContact CE1-OE2 3.25Å; H1899-E1970 VanDerWaalsContact CE1-OE2 3.25Å; H1899-E1970 IonicContact ND1-OE2 3.74Å
1900	I	90.4	Very high	74.1	Confident	1 Å²	1	73.2 Å²	73.2	1%	0.005	36%	0.355	C	S	.	.	H	α-helix	trans	-70.2	-42.8	176.6	-54.8	170.4	0	0	0	110.4	G1897 R1898 F1903 F1904 L1960 V1964 V1977 V1979 H1982 L1983	G1897-I1900 PolarHBondContact O-N 2.9Å; R1898-I1900 VanDerWaalsContact C-N 3.3Å; R1898-I1900 PolarHBondContact O-N 3.27Å; I1900-F1903 PolarHBondContact O-N 2.81Å; I1900-F1904 PolarHBondContact O-N 3.19Å; I1900-L1960 HydrophobicContact CG2-CD1 4.41Å; I1900-V1964 HydrophobicContact CD1-CG2 4.41Å; I1900-V1964 HydrophobicContact CG1-CG2 4.49Å; I1900-V1977 HydrophobicContact CD1-CG2 3.77Å; I1900-V1979 HydrophobicContact CD1-CB 4.38Å; I1900-V1979 HydrophobicContact CD1-CG1 4.2Å; I1900-V1979 HydrophobicContact CD1-CG2 4.15Å; I1900-H1982 HydrophobicContact CB-CB 4.22Å; I1900-H1982 HydrophobicContact CD1-CB 4.46Å; I1900-H1982 HydrophobicContact CG2-CB 3.89Å; I1900-L1983 HydrophobicContact CG2-CD2 3.79Å; I1900-L1983 HydrophobicContact CG2-CG 3.95Å
1901	K	89.6	Confident	76.3	Confident	51 Å²	51	74.2 Å²	74.2	22%	0.222	36%	0.362	C	S	.	.	H	α-helix	trans	-62	-49.6	170.6	-83.2	-177.5	158.4	-167.2	0	111.7	E141 E144 G1897 R1898 F1903 F1904 H1905	E141-K1901 IonicContact OE1-NZ 3.16Å; E141-K1901 PolarHBondContact OE1-NZ 3.33Å; E144-K1901 IonicContact OE2-NZ 2.66Å; E144-K1901 PolarHBondContact OE2-NZ 2.72Å; G1897-K1901 WeakPolarHBondContact O-CB 3.24Å; G1897-K1901 PolarHBondContact O-N 3.47Å; R1898-K1901 PolarHBondContact O-N 3.49Å; K1901-F1903 VanDerWaalsContact C-N 3.3Å; K1901-F1903 PolarHBondContact O-N 3.1Å; K1901-F1904 PolarHBondContact O-N 3.28Å; K1901-H1905 PolarHBondContact O-N 3.07Å
1902	K	89	Confident	78.6	Confident	81 Å²	81	71.7 Å²	71.7	35%	0.352	35%	0.348	S	S	.	.	H	α-helix	trans	-60	-38.1	176.6	-78.5	-166.2	174.9	-168.8	0	111.6	R1898 H1905 R1906	R1898-K1902 WeakPolarHBondContact O-CB 3.16Å; R1898-K1902 PolarHBondContact O-N 3.36Å; K1902-H1905 PolarHBondContact O-N 3.22Å; K1902-R1906 WeakPolarHBondContact O-CG 3.35Å; K1902-R1906 PolarHBondContact O-N 2.62Å
1903	F	90.6	Very high	81.1	Confident	23 Å²	23	63.6 Å²	63.6	10%	0.101	32%	0.315	C	S	.	.	H	α-helix	trans	-61.7	-51	174.4	162.7	-106.1	0	0	0	112.4	H1899 I1900 K1901 H1905 R1906 L1907 L1958 L1960 A1963 L1983	H1899-F1903 WeakPolarHBondContact O-CB 3.25Å; H1899-F1903 PolarHBondContact O-N 3.37Å; I1900-F1903 PolarHBondContact O-N 2.81Å; K1901-F1903 VanDerWaalsContact C-N 3.3Å; K1901-F1903 PolarHBondContact O-N 3.1Å; F1903-H1905 VanDerWaalsContact C-N 3.32Å; F1903-H1905 PolarHBondContact O-N 2.53Å; F1903-R1906 PolarHBondContact O-N 2.81Å; F1903-L1907 HydrophobicContact CD1-CD1 4.44Å; F1903-L1907 HydrophobicContact CE1-CD1 3.71Å; F1903-L1907 HydrophobicContact CE2-CD1 3.78Å; F1903-L1907 HydrophobicContact CE2-CG 4.07Å; F1903-L1907 HydrophobicContact CZ-CD1 3.34Å; F1903-L1907 HydrophobicContact CZ-CG 4.15Å; F1903-L1907 PolarHBondContact O-N 3.02Å; F1903-L1907 VanDerWaalsContact O-N 3.11Å; F1903-L1958 WeakPolarHBondContact CE2-O 3.37Å; F1903-L1958 HydrophobicContact CZ-CB 4.15Å; F1903-L1960 HydrophobicContact CD1-CB 4.48Å; F1903-L1960 HydrophobicContact CD1-CD1 3.79Å; F1903-L1960 HydrophobicContact CE1-CB 3.74Å; F1903-L1960 HydrophobicContact CE1-CD1 3.67Å; F1903-L1960 HydrophobicContact CE1-CG 4.24Å; F1903-L1960 HydrophobicContact CZ-CB 3.74Å; F1903-A1963 HydrophobicContact CB-CB 3.8Å; F1903-A1963 HydrophobicContact CG-CB 4.19Å; F1903-L1983 HydrophobicContact CD1-CD2 4.43Å; F1903-L1983 HydrophobicContact CE1-CD2 4.44Å
1904	F	89.9	Confident	83.3	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-65.1	-36.8	178.9	-170.9	-98.2	0	0	0	112.1	I1900 K1901 R1906 L1907 M1908 I1915 I1919 L1952 A1986 L1987 Y1990	I1900-F1904 PolarHBondContact O-N 3.19Å; K1901-F1904 PolarHBondContact O-N 3.28Å; F1904-R1906 PolarHBondContact O-N 3.21Å; F1904-L1907 WeakPolarHBondContact O-CB 3.32Å; F1904-L1907 PolarHBondContact O-N 3.12Å; F1904-L1907 VanDerWaalsContact O-N 3.16Å; F1904-M1908 HydrophobicContact CD1-CG 3.96Å; F1904-M1908 HydrophobicContact CE1-CG 3.43Å; F1904-M1908 VanDerWaalsContact CE1-CG 3.43Å; F1904-M1908 HydrophobicContact CE1-SD 3.9Å; F1904-M1908 HydrophobicContact CZ-CG 3.8Å; F1904-M1908 HydrophobicContact CZ-SD 3.69Å; F1904-M1908 WeakPolarHBondContact O-CG 3.43Å; F1904-M1908 PolarHBondContact O-N 3.43Å; F1904-M1908 VanDerWaalsContact O-N 3.11Å; F1904-I1915 HydrophobicContact CE2-CG2 4.27Å; F1904-I1919 HydrophobicContact CE2-CD1 4.46Å; F1904-I1919 HydrophobicContact CZ-CD1 3.79Å; F1904-L1952 HydrophobicContact CD2-CD1 3.85Å; F1904-L1952 HydrophobicContact CE2-CD1 3.7Å; F1904-A1986 HydrophobicContact CB-CB 4.06Å; F1904-A1986 HydrophobicContact CD1-CB 3.62Å; F1904-A1986 HydrophobicContact CE1-CB 4.39Å; F1904-A1986 HydrophobicContact CG-CB 3.95Å; F1904-L1987 HydrophobicContact CE1-CD2 4.3Å; F1904-L1987 HydrophobicContact CE1-CG 4.5Å; F1904-L1987 HydrophobicContact CE2-CD2 3.81Å; F1904-L1987 HydrophobicContact CE2-CG 4.1Å; F1904-L1987 HydrophobicContact CZ-CD2 3.43Å; F1904-L1987 VanDerWaalsContact CZ-CD2 3.43Å; F1904-L1987 HydrophobicContact CZ-CG 3.91Å; F1904-Y1990 AromaticContact CD1-CD2 3.91Å; F1904-Y1990 HydrophobicContact CD1-CD2 3.91Å; F1904-Y1990 AromaticContact CD1-CE2 3.96Å; F1904-Y1990 HydrophobicContact CD1-CE2 3.96Å; F1904-Y1990 AromaticContact CE1-CD2 3.55Å; F1904-Y1990 HydrophobicContact CE1-CD2 3.55Å; F1904-Y1990 HydrophobicContact CE1-CE2 4.04Å; F1904-Y1990 HydrophobicContact CE1-CG 4.18Å
1905	H	88.8	Confident	84.9	Confident	82 Å²	82	57.3 Å²	57.3	38%	0.38	28%	0.276	S	S	.	.	H	α-helix	trans	-58.9	-46	172.7	-179.2	52.1	0	0	0	112	K1901 K1902 F1903 L1907 M1908 T1909 Y1990	K1901-H1905 PolarHBondContact O-N 3.07Å; K1902-H1905 PolarHBondContact O-N 3.22Å; F1903-H1905 VanDerWaalsContact C-N 3.32Å; F1903-H1905 PolarHBondContact O-N 2.53Å; H1905-L1907 VanDerWaalsContact C-N 3.26Å; H1905-L1907 PolarHBondContact O-N 3.5Å; H1905-M1908 WeakPolarHBondContact O-CA 3.2Å; H1905-M1908 PolarHBondContact O-N 2.99Å; H1905-T1909 WeakPolarHBondContact CE1-CG2 3.18Å; H1905-T1909 PolarHBondContact O-N 3.41Å; H1905-T1909 PolarHBondContact O-OG1 2.91Å; H1905-Y1990 PolarHBondContact ND1-OH 2.95Å
1906	R	87.4	Confident	86	Confident	167 Å²	167	54.6 Å²	54.6	63%	0.63	27%	0.266	S	S	*	.	H	α-helix	trans	-61.7	-28.5	174.8	-71.9	175.4	178.3	-162.7	-2.4	113.8	K1902 F1903 F1904	K1902-R1906 WeakPolarHBondContact O-CG 3.35Å; K1902-R1906 PolarHBondContact O-N 2.62Å; F1903-R1906 PolarHBondContact O-N 2.81Å; F1904-R1906 PolarHBondContact O-N 3.21Å
1907	L	89	Confident	86.4	Confident	23 Å²	23	58.3 Å²	58.3	12%	0.12	28%	0.28	C	S	.	.	H	α-helix	trans	-76.4	-20.9	172.1	-73.3	177.9	0	0	0	113.6	F1903 F1904 H1905 S1913 I1915 L1952	F1903-L1907 HydrophobicContact CD1-CD1 4.44Å; F1903-L1907 HydrophobicContact CE1-CD1 3.71Å; F1903-L1907 HydrophobicContact CE2-CD1 3.78Å; F1903-L1907 HydrophobicContact CE2-CG 4.07Å; F1903-L1907 HydrophobicContact CZ-CD1 3.34Å; F1903-L1907 HydrophobicContact CZ-CG 4.15Å; F1903-L1907 PolarHBondContact O-N 3.02Å; F1903-L1907 VanDerWaalsContact O-N 3.11Å; F1904-L1907 WeakPolarHBondContact O-CB 3.32Å; F1904-L1907 PolarHBondContact O-N 3.12Å; F1904-L1907 VanDerWaalsContact O-N 3.16Å; H1905-L1907 VanDerWaalsContact C-N 3.26Å; H1905-L1907 PolarHBondContact O-N 3.5Å; L1907-S1913 WeakPolarHBondContact O-CB 3.27Å; L1907-S1913 PolarHBondContact O-OG 3.25Å; L1907-I1915 HydrophobicContact CD1-CD1 3.96Å; L1907-I1915 HydrophobicContact CD2-CD1 4.23Å; L1907-L1952 HydrophobicContact CD1-CD2 3.96Å
1908	M	87.4	Confident	86.7	Confident	28 Å²	28	60.6 Å²	60.6	14%	0.138	29%	0.291	C	S	.	.	H	α-helix	trans	-92.7	-33.6	177.4	-69.7	-56.5	-55.5	0	0	113	F1904 H1905 A1916 I1919 Y1990	F1904-M1908 HydrophobicContact CD1-CG 3.96Å; F1904-M1908 HydrophobicContact CE1-CG 3.43Å; F1904-M1908 VanDerWaalsContact CE1-CG 3.43Å; F1904-M1908 HydrophobicContact CE1-SD 3.9Å; F1904-M1908 HydrophobicContact CZ-CG 3.8Å; F1904-M1908 HydrophobicContact CZ-SD 3.69Å; F1904-M1908 WeakPolarHBondContact O-CG 3.43Å; F1904-M1908 PolarHBondContact O-N 3.43Å; F1904-M1908 VanDerWaalsContact O-N 3.11Å; H1905-M1908 WeakPolarHBondContact O-CA 3.2Å; H1905-M1908 PolarHBondContact O-N 2.99Å; M1908-A1916 HydrophobicContact CE-CB 4.45Å; M1908-I1919 HydrophobicContact CE-CB 4.22Å; M1908-I1919 HydrophobicContact CE-CD1 4.24Å; M1908-I1919 HydrophobicContact CE-CG2 3.9Å; M1908-I1919 HydrophobicContact SD-CD1 3.51Å; M1908-I1919 VanDerWaalsContact SD-CD1 3.51Å; M1908-Y1990 HydrophobicContact CB-CD1 4.37Å; M1908-Y1990 HydrophobicContact CB-CE1 4.04Å; M1908-Y1990 HydrophobicContact CE-CD1 4.16Å; M1908-Y1990 HydrophobicContact CE-CG 4.47Å; M1908-Y1990 HydrophobicContact CG-CD1 4.11Å; M1908-Y1990 HydrophobicContact CG-CD2 4.3Å; M1908-Y1990 HydrophobicContact CG-CE1 4.15Å; M1908-Y1990 HydrophobicContact CG-CE2 4.35Å; M1908-Y1990 HydrophobicContact CG-CG 4.2Å
1909	T	85.9	Confident	86.9	Confident	87 Å²	87	57.7 Å²	57.7	53%	0.534	28%	0.28	S	S	.	.	H	α-helix	trans	-77.4	-20.3	179.4	54.3	0	0	0	0	113.7	H1905 P1911	H1905-T1909 WeakPolarHBondContact CE1-CG2 3.18Å; H1905-T1909 PolarHBondContact O-N 3.41Å; H1905-T1909 PolarHBondContact O-OG1 2.91Å; T1909-P1911 VanDerWaalsContact O-CD 3.23Å; T1909-P1911 WeakPolarHBondContact O-CD 3.41Å
1910	N	83.1	Confident	87	Confident	82 Å²	82	60.1 Å²	60.1	44%	0.439	29%	0.294	S	S	.	.			trans	-82.9	109	174.1	-177.2	-17.3	0	0	0	110.3	K1912 S1913	N1910-K1912 PolarHBondContact O-N 3.24Å; N1910-K1912 VanDerWaalsContact O-N 3.15Å; N1910-K1912 WeakPolarHBondContact OD1-CB 3.46Å; N1910-K1912 PolarHBondContact OD1-N 2.96Å; N1910-S1913 WeakPolarHBondContact O-CB 3.46Å; N1910-S1913 PolarHBondContact O-N 3.3Å
1911	P	73.1	Confident	87	Confident	117 Å²	117	64.8 Å²	64.8	76%	0.76	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-12.3	-176.5	30.1	-36.9	0	0	0	113.7	T1909 S1913	T1909-P1911 VanDerWaalsContact O-CD 3.23Å; T1909-P1911 WeakPolarHBondContact O-CD 3.41Å; P1911-S1913 VanDerWaalsContact C-N 3.31Å
1912	K	76.3	Confident	87.2	Confident	138 Å²	138	63.7 Å²	63.7	60%	0.6	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	2	172.8	-59	-175.9	179.4	-174.8	0	112.8	H1275 N1910 Q1914	H1275-K1912 PolarHBondContact NE2-NZ 2.93Å; H1275-K1912 VanDerWaalsContact NE2-NZ 3.18Å; N1910-K1912 PolarHBondContact O-N 3.24Å; N1910-K1912 VanDerWaalsContact O-N 3.15Å; N1910-K1912 WeakPolarHBondContact OD1-CB 3.46Å; N1910-K1912 PolarHBondContact OD1-N 2.96Å; K1912-Q1914 PolarHBondContact O-N 3.04Å
1913	S	84.1	Confident	87.3	Confident	14 Å²	14	60.8 Å²	60.8	10%	0.098	30%	0.302	C	S	.	.			trans	-72.8	118.4	174.8	178.2	0	0	0	0	110.6	L1907 N1910 P1911 I1915 A1916 E1917	L1907-S1913 WeakPolarHBondContact O-CB 3.27Å; L1907-S1913 PolarHBondContact O-OG 3.25Å; N1910-S1913 WeakPolarHBondContact O-CB 3.46Å; N1910-S1913 PolarHBondContact O-N 3.3Å; P1911-S1913 VanDerWaalsContact C-N 3.31Å; S1913-I1915 PolarHBondContact O-N 3.27Å; S1913-I1915 PolarHBondContact OG-N 2.91Å; S1913-A1916 PolarHBondContact O-N 2.87Å; S1913-E1917 PolarHBondContact O-N 3.05Å
1914	Q	82.6	Confident	87.3	Confident	101 Å²	101	66 Å²	66	47%	0.472	33%	0.326	S	S	.	.	H	α-helix	trans	-56.5	-22.1	173.9	-66.8	-179	-4.1	0	0	112.8	K1912 Q1918	K1912-Q1914 PolarHBondContact O-N 3.04Å; Q1914-Q1918 WeakPolarHBondContact O-CB 3.41Å; Q1914-Q1918 WeakPolarHBondContact O-CG 3.22Å; Q1914-Q1918 PolarHBondContact O-N 3.25Å
1915	I	88	Confident	87.2	Confident	2 Å²	2	69.3 Å²	69.3	1%	0.01	35%	0.348	C	S	.	.	H	α-helix	trans	-78.5	-41.6	177.5	-65.8	151.3	0	0	0	110.6	F1904 L1907 S1913 Q1918 I1919 M1948 Y1951 L1952 L1958	F1904-I1915 HydrophobicContact CE2-CG2 4.27Å; L1907-I1915 HydrophobicContact CD1-CD1 3.96Å; L1907-I1915 HydrophobicContact CD2-CD1 4.23Å; S1913-I1915 PolarHBondContact O-N 3.27Å; S1913-I1915 PolarHBondContact OG-N 2.91Å; I1915-Q1918 PolarHBondContact O-N 3.39Å; I1915-I1919 HydrophobicContact CG2-CD1 3.88Å; I1915-I1919 WeakPolarHBondContact O-CB 3.24Å; I1915-I1919 WeakPolarHBondContact O-CD1 3.43Å; I1915-I1919 VanDerWaalsContact O-CG1 3.27Å; I1915-I1919 WeakPolarHBondContact O-CG1 3.16Å; I1915-I1919 PolarHBondContact O-N 3.3Å; I1915-M1948 HydrophobicContact CG2-SD 4.07Å; I1915-Y1951 HydrophobicContact CD1-CE1 3.98Å; I1915-Y1951 HydrophobicContact CG1-CE1 3.7Å; I1915-L1952 HydrophobicContact CD1-CD2 3.84Å; I1915-L1958 HydrophobicContact CD1-CD1 3.66Å; I1915-L1958 HydrophobicContact CD1-CD2 3.81Å; I1915-L1958 HydrophobicContact CD1-CG 4.36Å
1916	A	89.5	Confident	87.3	Confident	2 Å²	2	65.8 Å²	65.8	2%	0.017	33%	0.333	C	S	.	.	H	α-helix	trans	-64	-44.2	172.5	0	0	0	0	0	110.8	M1908 S1913 I1919 N1920	M1908-A1916 HydrophobicContact CE-CB 4.45Å; S1913-A1916 PolarHBondContact O-N 2.87Å; A1916-I1919 PolarHBondContact O-N 3.16Å; A1916-N1920 WeakPolarHBondContact O-CB 3.34Å; A1916-N1920 VanDerWaalsContact O-CG 3.24Å; A1916-N1920 PolarHBondContact O-N 3.22Å
1917	E	88.8	Confident	87.3	Confident	130 Å²	130	63 Å²	63	61%	0.607	33%	0.325	S	S	*	.	H	α-helix	trans	-58.1	-49.1	175	-172.3	-176	-171.6	0	0	111.8	S1913 I1919 N1920 L1921	S1913-E1917 PolarHBondContact O-N 3.05Å; E1917-I1919 VanDerWaalsContact C-N 3.35Å; E1917-I1919 PolarHBondContact O-N 3.39Å; E1917-N1920 PolarHBondContact O-N 2.88Å; E1917-L1921 VanDerWaalsContact O-CB 3.29Å; E1917-L1921 WeakPolarHBondContact O-CB 3.2Å; E1917-L1921 PolarHBondContact O-N 2.92Å
1918	Q	89.7	Confident	87	Confident	49 Å²	49	65.9 Å²	65.9	23%	0.229	35%	0.352	C	S	.	.	H	α-helix	trans	-63.8	-36.3	177.8	-77.6	175.6	44.2	0	0	113.2	Q1914 I1915 F1922 M1948	Q1914-Q1918 WeakPolarHBondContact O-CB 3.41Å; Q1914-Q1918 WeakPolarHBondContact O-CG 3.22Å; Q1914-Q1918 PolarHBondContact O-N 3.25Å; I1915-Q1918 PolarHBondContact O-N 3.39Å; Q1918-F1922 VanDerWaalsContact O-CB 3.3Å; Q1918-F1922 WeakPolarHBondContact O-CB 3.49Å; Q1918-F1922 PolarHBondContact O-N 2.91Å; Q1918-M1948 HydrophobicContact CB-CE 4.07Å
1919	I	92.3	Very high	86.4	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-71.2	-43.9	177.2	-71.5	166	0	0	0	110.5	F1904 M1908 I1915 A1916 E1917 F1922 L1923 F1944 M1948 L1987 I1991	F1904-I1919 HydrophobicContact CE2-CD1 4.46Å; F1904-I1919 HydrophobicContact CZ-CD1 3.79Å; M1908-I1919 HydrophobicContact CE-CB 4.22Å; M1908-I1919 HydrophobicContact CE-CD1 4.24Å; M1908-I1919 HydrophobicContact CE-CG2 3.9Å; M1908-I1919 HydrophobicContact SD-CD1 3.51Å; M1908-I1919 VanDerWaalsContact SD-CD1 3.51Å; I1915-I1919 HydrophobicContact CG2-CD1 3.88Å; I1915-I1919 WeakPolarHBondContact O-CB 3.24Å; I1915-I1919 WeakPolarHBondContact O-CD1 3.43Å; I1915-I1919 VanDerWaalsContact O-CG1 3.27Å; I1915-I1919 WeakPolarHBondContact O-CG1 3.16Å; I1915-I1919 PolarHBondContact O-N 3.3Å; A1916-I1919 PolarHBondContact O-N 3.16Å; E1917-I1919 VanDerWaalsContact C-N 3.35Å; E1917-I1919 PolarHBondContact O-N 3.39Å; I1919-F1922 WeakPolarHBondContact O-CB 3.41Å; I1919-F1922 PolarHBondContact O-N 3.11Å; I1919-L1923 HydrophobicContact CG2-CD1 4.25Å; I1919-L1923 HydrophobicContact CG2-CG 4.49Å; I1919-L1923 VanDerWaalsContact O-CG 3.3Å; I1919-L1923 WeakPolarHBondContact O-CG 3.4Å; I1919-L1923 PolarHBondContact O-N 2.99Å; I1919-F1944 HydrophobicContact CG1-CE1 3.92Å; I1919-F1944 HydrophobicContact CG1-CZ 3.89Å; I1919-M1948 HydrophobicContact CG1-CE 4.3Å; I1919-L1987 HydrophobicContact CD1-CD2 3.84Å; I1919-I1991 HydrophobicContact CG2-CG1 4.16Å
1920	N	91.4	Very high	85.4	Confident	85 Å²	85	64.5 Å²	64.5	46%	0.455	35%	0.349	S	S	.	.	H	α-helix	trans	-63.4	-46	176.9	-70	-12	0	0	0	111.4	A1916 E1917 F1922 L1923 E1924	A1916-N1920 WeakPolarHBondContact O-CB 3.34Å; A1916-N1920 VanDerWaalsContact O-CG 3.24Å; A1916-N1920 PolarHBondContact O-N 3.22Å; E1917-N1920 PolarHBondContact O-N 2.88Å; N1920-F1922 VanDerWaalsContact C-N 3.29Å; N1920-F1922 PolarHBondContact O-N 2.95Å; N1920-L1923 WeakPolarHBondContact O-CB 3.28Å; N1920-L1923 PolarHBondContact O-N 3.42Å; N1920-L1923 VanDerWaalsContact O-N 3.1Å; N1920-E1924 PolarHBondContact O-N 3.08Å
1921	L	90.9	Very high	84.4	Confident	98 Å²	98	67.9 Å²	67.9	51%	0.513	37%	0.367	S	S	.	.	H	α-helix	trans	-60.2	-38.1	174.3	-178.3	63.4	0	0	0	112	E1917 C1925	E1917-L1921 VanDerWaalsContact O-CB 3.29Å; E1917-L1921 WeakPolarHBondContact O-CB 3.2Å; E1917-L1921 PolarHBondContact O-N 2.92Å; L1921-C1925 WeakPolarHBondContact O-CB 3.24Å; L1921-C1925 PolarHBondContact O-N 2.9Å; L1921-C1925 PolarHBondContact O-SG 3.13Å
1922	F	93.3	Very high	84.2	Confident	29 Å²	29	68.7 Å²	68.7	13%	0.127	36%	0.355	C	S	.	.	H	α-helix	trans	-65.5	-41.8	173.5	177.1	-94.8	0	0	0	112.2	Q1918 I1919 N1920 T1926 I1941 F1944 I1991 L1995	Q1918-F1922 VanDerWaalsContact O-CB 3.3Å; Q1918-F1922 WeakPolarHBondContact O-CB 3.49Å; Q1918-F1922 PolarHBondContact O-N 2.91Å; I1919-F1922 WeakPolarHBondContact O-CB 3.41Å; I1919-F1922 PolarHBondContact O-N 3.11Å; N1920-F1922 VanDerWaalsContact C-N 3.29Å; N1920-F1922 PolarHBondContact O-N 2.95Å; F1922-T1926 WeakPolarHBondContact CZ-OG1 3.43Å; F1922-T1926 WeakPolarHBondContact O-CB 3.48Å; F1922-T1926 PolarHBondContact O-N 3.4Å; F1922-T1926 PolarHBondContact O-OG1 2.96Å; F1922-I1941 HydrophobicContact CE1-CG1 4.08Å; F1922-I1941 HydrophobicContact CZ-CB 4.42Å; F1922-I1941 HydrophobicContact CZ-CG1 3.91Å; F1922-F1944 HydrophobicContact CB-CD1 4.13Å; F1922-F1944 HydrophobicContact CB-CD2 4.34Å; F1922-F1944 HydrophobicContact CB-CE1 3.67Å; F1922-F1944 HydrophobicContact CB-CE2 3.91Å; F1922-F1944 HydrophobicContact CB-CG 4.45Å; F1922-F1944 HydrophobicContact CB-CZ 3.55Å; F1922-F1944 AromaticContact CD1-CD1 3.39Å; F1922-F1944 HydrophobicContact CD1-CD1 3.39Å; F1922-F1944 AromaticContact CD1-CE1 3.59Å; F1922-F1944 HydrophobicContact CD1-CE1 3.59Å; F1922-F1944 AromaticContact CD1-CG 4Å; F1922-F1944 HydrophobicContact CD1-CG 4Å; F1922-F1944 HydrophobicContact CD1-CZ 4.35Å; F1922-F1944 HydrophobicContact CD2-CB 3.98Å; F1922-F1944 AromaticContact CD2-CD1 3.86Å; F1922-F1944 HydrophobicContact CD2-CD1 3.86Å; F1922-F1944 AromaticContact CD2-CD2 3.74Å; F1922-F1944 HydrophobicContact CD2-CD2 3.74Å; F1922-F1944 HydrophobicContact CD2-CE1 4.27Å; F1922-F1944 HydrophobicContact CD2-CE2 4.17Å; F1922-F1944 AromaticContact CD2-CG 3.58Å; F1922-F1944 HydrophobicContact CD2-CG 3.58Å; F1922-F1944 HydrophobicContact CD2-CZ 4.42Å; F1922-F1944 HydrophobicContact CE1-CB 4.29Å; F1922-F1944 AromaticContact CE1-CD1 3.72Å; F1922-F1944 HydrophobicContact CE1-CD1 3.72Å; F1922-F1944 HydrophobicContact CE1-CE1 4.37Å; F1922-F1944 HydrophobicContact CE1-CG 4.17Å; F1922-F1944 HydrophobicContact CE2-CB 3.63Å; F1922-F1944 HydrophobicContact CE2-CD1 4.16Å; F1922-F1944 HydrophobicContact CE2-CD2 4.28Å; F1922-F1944 AromaticContact CE2-CG 3.78Å; F1922-F1944 HydrophobicContact CE2-CG 3.78Å; F1922-F1944 HydrophobicContact CG-CB 4.46Å; F1922-F1944 AromaticContact CG-CD1 3.48Å; F1922-F1944 HydrophobicContact CG-CD1 3.48Å; F1922-F1944 VanDerWaalsContact CG-CD1 3.48Å; F1922-F1944 AromaticContact CG-CD2 3.99Å; F1922-F1944 HydrophobicContact CG-CD2 3.99Å; F1922-F1944 AromaticContact CG-CE1 3.55Å; F1922-F1944 HydrophobicContact CG-CE1 3.55Å; F1922-F1944 HydrophobicContact CG-CE2 4.05Å; F1922-F1944 AromaticContact CG-CG 3.71Å; F1922-F1944 HydrophobicContact CG-CG 3.71Å; F1922-F1944 AromaticContact CG-CZ 3.85Å; F1922-F1944 HydrophobicContact CG-CZ 3.85Å; F1922-F1944 HydrophobicContact CZ-CB 3.82Å; F1922-F1944 HydrophobicContact CZ-CD1 4.11Å; F1922-F1944 HydrophobicContact CZ-CG 4.09Å; F1922-I1991 HydrophobicContact CD1-CG2 4.42Å; F1922-I1991 HydrophobicContact CE1-CG2 4.03Å; F1922-L1995 HydrophobicContact CE1-CD1 4.06Å
1923	L	92.2	Very high	84.2	Confident	20 Å²	20	63.1 Å²	63.1	11%	0.105	34%	0.337	C	S	.	.	H	α-helix	trans	-62.2	-47.8	176.7	-71.1	174.6	0	0	0	111.4	I1919 N1920 T1926 K1927 P1994 L1995	I1919-L1923 HydrophobicContact CG2-CD1 4.25Å; I1919-L1923 HydrophobicContact CG2-CG 4.49Å; I1919-L1923 VanDerWaalsContact O-CG 3.3Å; I1919-L1923 WeakPolarHBondContact O-CG 3.4Å; I1919-L1923 PolarHBondContact O-N 2.99Å; N1920-L1923 WeakPolarHBondContact O-CB 3.28Å; N1920-L1923 PolarHBondContact O-N 3.42Å; N1920-L1923 VanDerWaalsContact O-N 3.1Å; L1923-T1926 PolarHBondContact O-N 3.32Å; L1923-K1927 WeakPolarHBondContact O-CB 3.36Å; L1923-K1927 WeakPolarHBondContact O-CG 3.32Å; L1923-K1927 PolarHBondContact O-N 2.87Å; L1923-P1994 HydrophobicContact CD1-CG 3.93Å; L1923-P1994 HydrophobicContact CD2-CB 4.45Å; L1923-P1994 HydrophobicContact CD2-CG 3.67Å; L1923-P1994 HydrophobicContact CG-CG 4.47Å; L1923-L1995 HydrophobicContact CD2-CD1 3.79Å; L1923-L1995 HydrophobicContact CD2-CD2 3.96Å; L1923-L1995 HydrophobicContact CD2-CG 3.57Å
1924	E	89.2	Confident	84.2	Confident	133 Å²	133	62.6 Å²	62.6	62%	0.621	33%	0.333	S	S	*	.	H	α-helix	trans	-61.3	-53.5	175.9	-71.5	-178.6	173.7	0	0	111.9	N1920 T1926 K1927 A1928	N1920-E1924 PolarHBondContact O-N 3.08Å; E1924-T1926 PolarHBondContact O-N 3.17Å; E1924-K1927 PolarHBondContact O-N 3.43Å; E1924-A1928 WeakPolarHBondContact O-CB 3.46Å; E1924-A1928 PolarHBondContact O-N 3.02Å
1925	C	88.7	Confident	84.3	Confident	68 Å²	68	62.3 Å²	62.3	46%	0.459	33%	0.328	S	S	.	.	H	α-helix	trans	-59.3	-31.8	179.1	-72.4	0	0	0	0	112.4	L1921 S1929	L1921-C1925 WeakPolarHBondContact O-CB 3.24Å; L1921-C1925 PolarHBondContact O-N 2.9Å; L1921-C1925 PolarHBondContact O-SG 3.13Å; C1925-S1929 VanDerWaalsContact O-CB 3.26Å; C1925-S1929 WeakPolarHBondContact O-CB 3.31Å; C1925-S1929 PolarHBondContact O-OG 3.09Å
1926	T	90.5	Very high	84.1	Confident	8 Å²	8	69.1 Å²	69.1	5%	0.049	35%	0.354	C	S	.	.	H	α-helix	trans	-74.1	-52.4	176.4	-59.1	0	0	0	0	110.7	F1922 L1923 E1924 A1928 S1929 T1937 L1995	F1922-T1926 WeakPolarHBondContact CZ-OG1 3.43Å; F1922-T1926 WeakPolarHBondContact O-CB 3.48Å; F1922-T1926 PolarHBondContact O-N 3.4Å; F1922-T1926 PolarHBondContact O-OG1 2.96Å; L1923-T1926 PolarHBondContact O-N 3.32Å; E1924-T1926 PolarHBondContact O-N 3.17Å; T1926-A1928 VanDerWaalsContact C-N 3.28Å; T1926-A1928 PolarHBondContact O-N 2.88Å; T1926-S1929 PolarHBondContact O-N 3.08Å; T1926-S1929 PolarHBondContact O-OG 2.91Å; T1926-T1937 HydrophobicContact CG2-CG2 3.69Å; T1926-L1995 HydrophobicContact CG2-CD1 4Å; T1926-L1995 HydrophobicContact CG2-CD2 3.95Å
1927	K	87.4	Confident	84.1	Confident	109 Å²	109	69.1 Å²	69.1	47%	0.474	35%	0.354	S	S	.	.	H	α-helix	trans	-57.5	-38.3	178.6	-75.3	178.2	178.5	-177.3	0	112.6	L1923 E1924 S1929 P1994 L1995 H1998	L1923-K1927 WeakPolarHBondContact O-CB 3.36Å; L1923-K1927 WeakPolarHBondContact O-CG 3.32Å; L1923-K1927 PolarHBondContact O-N 2.87Å; E1924-K1927 PolarHBondContact O-N 3.43Å; K1927-S1929 VanDerWaalsContact C-N 3.26Å; K1927-S1929 PolarHBondContact O-N 3.24Å; K1927-P1994 VanDerWaalsContact CE-O 3.27Å; K1927-P1994 WeakPolarHBondContact CE-O 3.27Å; K1927-L1995 HydrophobicContact CG-CD2 3.86Å; K1927-H1998 PolarHBondContact O-CE1 2.83Å
1928	A	82.8	Confident	84	Confident	84 Å²	84	63 Å²	63	69%	0.694	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-10.7	176.8	0	0	0	0	0	114	E1924 T1926 S1930	E1924-A1928 WeakPolarHBondContact O-CB 3.46Å; E1924-A1928 PolarHBondContact O-N 3.02Å; T1926-A1928 VanDerWaalsContact C-N 3.28Å; T1926-A1928 PolarHBondContact O-N 2.88Å; A1928-S1930 PolarHBondContact O-N 3.19Å
1929	S	74.2	Confident	83.8	Confident	18 Å²	18	65.7 Å²	65.7	13%	0.126	34%	0.338	C	S	.	.			trans	-101.4	57.5	-172.6	72.7	0	0	0	0	114.2	C1925 T1926 K1927 D1931	C1925-S1929 VanDerWaalsContact O-CB 3.26Å; C1925-S1929 WeakPolarHBondContact O-CB 3.31Å; C1925-S1929 PolarHBondContact O-OG 3.09Å; T1926-S1929 PolarHBondContact O-N 3.08Å; T1926-S1929 PolarHBondContact O-OG 2.91Å; K1927-S1929 VanDerWaalsContact C-N 3.26Å; K1927-S1929 PolarHBondContact O-N 3.24Å; S1929-D1931 PolarHBondContact O-N 3.07Å; S1929-D1931 VanDerWaalsContact O-N 3.16Å
1930	S	64.3	Low	83.6	Confident	68 Å²	68	67.3 Å²	67.3	48%	0.476	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-48.7	-38.8	174.7	45.1	0	0	0	0	114	A1928 R1932	A1928-S1930 PolarHBondContact O-N 3.19Å; S1930-R1932 VanDerWaalsContact C-N 3.29Å; S1930-R1932 PolarHBondContact O-N 2.74Å
1931	D	63.1	Low	83.6	Confident	152 Å²	152	63.2 Å²	63.2	81%	0.813	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-84.8	0.2	-160.9	-51.4	-14.1	0	0	0	114	S1929	S1929-D1931 PolarHBondContact O-N 3.07Å; S1929-D1931 VanDerWaalsContact O-N 3.16Å
1932	R	68.7	Low	83.4	Confident	135 Å²	135	60.7 Å²	60.7	51%	0.509	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-87.6	-17.2	-171.7	-67.2	-176.8	176.3	-176.6	2	114.4	S1930 R1936	S1930-R1932 VanDerWaalsContact C-N 3.29Å; S1930-R1932 PolarHBondContact O-N 2.74Å; R1932-R1936 VanDerWaalsContact O-CB 3.27Å; R1932-R1936 WeakPolarHBondContact O-CB 3.08Å
1933	G	77.3	Confident	83.2	Confident	21 Å²	21	64.9 Å²	64.9	22%	0.216	33%	0.331	C	S	.	.			trans	79.6	139.9	-177.5	0	0	0	0	0	113.7	Y1935 R1936 T1937	G1933-Y1935 PolarHBondContact O-N 3.33Å; G1933-R1936 WeakPolarHBondContact O-CB 3.24Å; G1933-R1936 PolarHBondContact O-N 2.79Å; G1933-T1937 PolarHBondContact O-N 2.9Å; G1933-T1937 PolarHBondContact O-OG1 3.1Å; G1933-T1937 VanDerWaalsContact O-OG1 3.12Å
1934	P	83.2	Confident	83.2	Confident	2 Å²	2	65.9 Å²	65.9	1%	0.013	33%	0.334	C	S	.	.	H	α-helix	trans	-57.5	-41.1	-167.2	20.6	-33.2	0	0	0	113.9	R1936 T1937 M1938 Q2002 L2003 E2006	P1934-R1936 VanDerWaalsContact C-N 3.25Å; P1934-R1936 PolarHBondContact O-N 3.18Å; P1934-T1937 WeakPolarHBondContact O-CB 3.11Å; P1934-T1937 PolarHBondContact O-N 3.47Å; P1934-M1938 HydrophobicContact CB-CE 4.41Å; P1934-M1938 WeakPolarHBondContact O-CB 3.47Å; P1934-M1938 WeakPolarHBondContact O-CG 3.32Å; P1934-M1938 PolarHBondContact O-N 3.26Å; P1934-Q2002 HydrophobicContact CB-CB 3.79Å; P1934-Q2002 HydrophobicContact CG-CB 4.3Å; P1934-L2003 HydrophobicContact CB-CD2 3.65Å; P1934-L2003 HydrophobicContact CB-CG 3.75Å; P1934-L2003 HydrophobicContact CG-CD2 3.81Å; P1934-L2003 HydrophobicContact CG-CG 4.26Å; P1934-E2006 HydrophobicContact CG-CB 3.98Å; P1934-E2006 HydrophobicContact CG-CG 3.41Å; P1934-E2006 VanDerWaalsContact CG-CG 3.41Å
1935	Y	84.7	Confident	83.2	Confident	95 Å²	95	59.7 Å²	59.7	37%	0.373	31%	0.305	S	S	.	.	H	α-helix	trans	-60.3	-36.1	177.7	-58.7	-79.1	0	0	0	112.3	G1933 M1938 Q1939	G1933-Y1935 PolarHBondContact O-N 3.33Å; Y1935-M1938 HydrophobicContact CD1-CE 4.17Å; Y1935-Q1939 VanDerWaalsContact O-CB 3.24Å; Y1935-Q1939 WeakPolarHBondContact O-CB 3.36Å; Y1935-Q1939 PolarHBondContact O-N 3.5Å
1936	R	84.7	Confident	83	Confident	145 Å²	145	58.4 Å²	58.4	55%	0.547	30%	0.297	S	S	.	.	H	α-helix	trans	-77.2	-35.6	176.7	-161.1	173.4	-171.8	-86.6	-3.3	111.5	R1932 G1933 P1934 S1940	R1932-R1936 VanDerWaalsContact O-CB 3.27Å; R1932-R1936 WeakPolarHBondContact O-CB 3.08Å; G1933-R1936 WeakPolarHBondContact O-CB 3.24Å; G1933-R1936 PolarHBondContact O-N 2.79Å; P1934-R1936 VanDerWaalsContact C-N 3.25Å; P1934-R1936 PolarHBondContact O-N 3.18Å; R1936-S1940 WeakPolarHBondContact O-CB 3.47Å; R1936-S1940 PolarHBondContact O-N 2.94Å; R1936-S1940 PolarHBondContact O-OG 3.1Å
1937	T	88.2	Confident	83	Confident	3 Å²	3	60 Å²	60	2%	0.018	31%	0.314	C	S	.	.	H	α-helix	trans	-60.3	-53.9	171.8	-51.1	0	0	0	0	110.6	T1926 G1933 P1934 Q1939 S1940 I1941 V1999 Q2002	T1926-T1937 HydrophobicContact CG2-CG2 3.69Å; G1933-T1937 PolarHBondContact O-N 2.9Å; G1933-T1937 PolarHBondContact O-OG1 3.1Å; G1933-T1937 VanDerWaalsContact O-OG1 3.12Å; P1934-T1937 WeakPolarHBondContact O-CB 3.11Å; P1934-T1937 PolarHBondContact O-N 3.47Å; T1937-Q1939 PolarHBondContact O-N 3.32Å; T1937-S1940 WeakPolarHBondContact O-CB 3.38Å; T1937-S1940 PolarHBondContact O-N 2.85Å; T1937-S1940 VanDerWaalsContact O-N 3.1Å; T1937-I1941 HydrophobicContact CG2-CD1 4.25Å; T1937-I1941 WeakPolarHBondContact O-CG1 3.33Å; T1937-I1941 PolarHBondContact O-N 3.12Å; T1937-V1999 HydrophobicContact CG2-CG2 4.37Å; T1937-Q2002 PolarHBondContact OG1-OE1 2.91Å
1938	M	88	Confident	83.1	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-63.2	-38.8	177.1	-65.8	-174.4	-65.9	0	0	112.5	P1934 Y1935 S1940 I1941 R1942 V1999 L2003 V2158	P1934-M1938 HydrophobicContact CB-CE 4.41Å; P1934-M1938 WeakPolarHBondContact O-CB 3.47Å; P1934-M1938 WeakPolarHBondContact O-CG 3.32Å; P1934-M1938 PolarHBondContact O-N 3.26Å; Y1935-M1938 HydrophobicContact CD1-CE 4.17Å; M1938-S1940 VanDerWaalsContact C-N 3.31Å; M1938-S1940 PolarHBondContact O-N 3.16Å; M1938-I1941 PolarHBondContact O-N 3.37Å; M1938-R1942 PolarHBondContact O-N 3.25Å; M1938-V1999 HydrophobicContact CG-CG1 3.47Å; M1938-V1999 VanDerWaalsContact CG-CG1 3.47Å; M1938-V1999 HydrophobicContact CG-CG2 4.45Å; M1938-V1999 HydrophobicContact SD-CG1 3.48Å; M1938-V1999 WeakPolarHBondContact SD-CG1 3.47Å; M1938-L2003 HydrophobicContact CE-CD1 4.21Å; M1938-L2003 HydrophobicContact CE-CD2 3.92Å; M1938-L2003 HydrophobicContact CE-CG 4.37Å; M1938-L2003 HydrophobicContact SD-CD1 4.17Å; M1938-V2158 HydrophobicContact CG-CG2 4.23Å; M1938-V2158 HydrophobicContact SD-CG2 4.18Å
1939	Q	84.9	Confident	83.5	Confident	107 Å²	107	51.5 Å²	51.5	50%	0.5	26%	0.263	S	S	.	.	H	α-helix	trans	-62.4	-38.4	172.9	-172.7	168.4	1.5	0	0	112.1	Y1935 T1937 R1942 Q1943	Y1935-Q1939 VanDerWaalsContact O-CB 3.24Å; Y1935-Q1939 WeakPolarHBondContact O-CB 3.36Å; Y1935-Q1939 PolarHBondContact O-N 3.5Å; T1937-Q1939 PolarHBondContact O-N 3.32Å; Q1939-R1942 VanDerWaalsContact O-CG 3.26Å; Q1939-R1942 WeakPolarHBondContact O-CG 3.47Å; Q1939-Q1943 WeakPolarHBondContact O-CB 3.49Å; Q1939-Q1943 VanDerWaalsContact O-CG 3.28Å; Q1939-Q1943 WeakPolarHBondContact O-CG 3.45Å; Q1939-Q1943 PolarHBondContact O-N 3.45Å; Q1939-Q1943 VanDerWaalsContact O-N 3.09Å
1940	S	88.3	Confident	84.1	Confident	33 Å²	33	55.1 Å²	55.1	23%	0.231	28%	0.281	C	S	.	.	H	α-helix	trans	-67.3	-42.6	176.1	-54	0	0	0	0	111.5	R1936 T1937 M1938 Q1943 F1944	R1936-S1940 WeakPolarHBondContact O-CB 3.47Å; R1936-S1940 PolarHBondContact O-N 2.94Å; R1936-S1940 PolarHBondContact O-OG 3.1Å; T1937-S1940 WeakPolarHBondContact O-CB 3.38Å; T1937-S1940 PolarHBondContact O-N 2.85Å; T1937-S1940 VanDerWaalsContact O-N 3.1Å; M1938-S1940 VanDerWaalsContact C-N 3.31Å; M1938-S1940 PolarHBondContact O-N 3.16Å; S1940-Q1943 PolarHBondContact O-N 2.77Å; S1940-F1944 WeakPolarHBondContact O-CB 3.48Å; S1940-F1944 PolarHBondContact O-N 3.38Å
1941	I	90.5	Very high	85.3	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-57.8	-51.4	174.8	-68.4	165.5	0	0	0	110.8	F1922 T1937 M1938 Q1943 F1944 I1945 I1991 L1992 L1995 V1999	F1922-I1941 HydrophobicContact CE1-CG1 4.08Å; F1922-I1941 HydrophobicContact CZ-CB 4.42Å; F1922-I1941 HydrophobicContact CZ-CG1 3.91Å; T1937-I1941 HydrophobicContact CG2-CD1 4.25Å; T1937-I1941 WeakPolarHBondContact O-CG1 3.33Å; T1937-I1941 PolarHBondContact O-N 3.12Å; M1938-I1941 PolarHBondContact O-N 3.37Å; I1941-Q1943 VanDerWaalsContact C-N 3.32Å; I1941-Q1943 PolarHBondContact O-N 2.96Å; I1941-F1944 PolarHBondContact O-N 3.02Å; I1941-I1945 HydrophobicContact CG2-CD1 3.72Å; I1941-I1945 WeakPolarHBondContact O-CG1 3.44Å; I1941-I1945 PolarHBondContact O-N 3.47Å; I1941-I1991 HydrophobicContact CG2-CG2 4.03Å; I1941-L1992 HydrophobicContact CG2-CD2 3.7Å; I1941-L1995 HydrophobicContact CD1-CB 4.45Å; I1941-L1995 HydrophobicContact CD1-CD1 3.72Å; I1941-L1995 HydrophobicContact CG1-CD1 3.85Å; I1941-V1999 HydrophobicContact CD1-CG2 3.76Å
1942	R	87.9	Confident	86.5	Confident	44 Å²	44	45.7 Å²	45.7	17%	0.166	22%	0.224	C	C	.	.	H	α-helix	trans	-65.2	-35.8	-178.7	76.1	159.5	58.4	-145.4	5	112.6	M1938 Q1939 S1946 D2156 G2157 L2159 N2160	M1938-R1942 PolarHBondContact O-N 3.25Å; Q1939-R1942 VanDerWaalsContact O-CG 3.26Å; Q1939-R1942 WeakPolarHBondContact O-CG 3.47Å; R1942-S1946 PolarHBondContact O-N 3.49Å; R1942-S1946 PolarHBondContact O-OG 2.89Å; R1942-D2156 PolarHBondContact NH2-O 2.87Å; R1942-G2157 PolarHBondContact NE-O 2.91Å; R1942-G2157 PolarHBondContact NH2-O 3.48Å; R1942-L2159 VanDerWaalsContact NH1-C 3.32Å; R1942-L2159 PolarHBondContact NH1-O 3.1Å; R1942-L2159 PolarHBondContact NH2-O 3.45Å; R1942-N2160 WeakPolarHBondContact CB-OD1 3.3Å; R1942-N2160 PolarHBondContact O-ND2 2.7Å
1943	Q	87.6	Confident	87.3	Confident	118 Å²	118	40.8 Å²	40.8	55%	0.551	21%	0.208	S	C	*	.	H	α-helix	trans	-67.1	-41.8	176	-78.3	177.5	-26.3	0	0	111.5	Q1939 S1940 I1941 G1947	Q1939-Q1943 WeakPolarHBondContact O-CB 3.49Å; Q1939-Q1943 VanDerWaalsContact O-CG 3.28Å; Q1939-Q1943 WeakPolarHBondContact O-CG 3.45Å; Q1939-Q1943 PolarHBondContact O-N 3.45Å; Q1939-Q1943 VanDerWaalsContact O-N 3.09Å; S1940-Q1943 PolarHBondContact O-N 2.77Å; I1941-Q1943 VanDerWaalsContact C-N 3.32Å; I1941-Q1943 PolarHBondContact O-N 2.96Å; Q1943-G1947 PolarHBondContact O-N 3.09Å
1944	F	92.5	Very high	87.6	Confident	41 Å²	41	45.6 Å²	45.6	18%	0.18	22%	0.222	C	C	.	.	H	α-helix	trans	-65.1	-43.4	175.6	-177.5	-109.2	0	0	0	112	I1919 F1922 S1940 I1941 G1947 M1948 I1991	I1919-F1944 HydrophobicContact CG1-CE1 3.92Å; I1919-F1944 HydrophobicContact CG1-CZ 3.89Å; F1922-F1944 HydrophobicContact CB-CD1 4.13Å; F1922-F1944 HydrophobicContact CB-CD2 4.34Å; F1922-F1944 HydrophobicContact CB-CE1 3.67Å; F1922-F1944 HydrophobicContact CB-CE2 3.91Å; F1922-F1944 HydrophobicContact CB-CG 4.45Å; F1922-F1944 HydrophobicContact CB-CZ 3.55Å; F1922-F1944 AromaticContact CD1-CD1 3.39Å; F1922-F1944 HydrophobicContact CD1-CD1 3.39Å; F1922-F1944 AromaticContact CD1-CE1 3.59Å; F1922-F1944 HydrophobicContact CD1-CE1 3.59Å; F1922-F1944 AromaticContact CD1-CG 4Å; F1922-F1944 HydrophobicContact CD1-CG 4Å; F1922-F1944 HydrophobicContact CD1-CZ 4.35Å; F1922-F1944 HydrophobicContact CD2-CB 3.98Å; F1922-F1944 AromaticContact CD2-CD1 3.86Å; F1922-F1944 HydrophobicContact CD2-CD1 3.86Å; F1922-F1944 AromaticContact CD2-CD2 3.74Å; F1922-F1944 HydrophobicContact CD2-CD2 3.74Å; F1922-F1944 HydrophobicContact CD2-CE1 4.27Å; F1922-F1944 HydrophobicContact CD2-CE2 4.17Å; F1922-F1944 AromaticContact CD2-CG 3.58Å; F1922-F1944 HydrophobicContact CD2-CG 3.58Å; F1922-F1944 HydrophobicContact CD2-CZ 4.42Å; F1922-F1944 HydrophobicContact CE1-CB 4.29Å; F1922-F1944 AromaticContact CE1-CD1 3.72Å; F1922-F1944 HydrophobicContact CE1-CD1 3.72Å; F1922-F1944 HydrophobicContact CE1-CE1 4.37Å; F1922-F1944 HydrophobicContact CE1-CG 4.17Å; F1922-F1944 HydrophobicContact CE2-CB 3.63Å; F1922-F1944 HydrophobicContact CE2-CD1 4.16Å; F1922-F1944 HydrophobicContact CE2-CD2 4.28Å; F1922-F1944 AromaticContact CE2-CG 3.78Å; F1922-F1944 HydrophobicContact CE2-CG 3.78Å; F1922-F1944 HydrophobicContact CG-CB 4.46Å; F1922-F1944 AromaticContact CG-CD1 3.48Å; F1922-F1944 HydrophobicContact CG-CD1 3.48Å; F1922-F1944 VanDerWaalsContact CG-CD1 3.48Å; F1922-F1944 AromaticContact CG-CD2 3.99Å; F1922-F1944 HydrophobicContact CG-CD2 3.99Å; F1922-F1944 AromaticContact CG-CE1 3.55Å; F1922-F1944 HydrophobicContact CG-CE1 3.55Å; F1922-F1944 HydrophobicContact CG-CE2 4.05Å; F1922-F1944 AromaticContact CG-CG 3.71Å; F1922-F1944 HydrophobicContact CG-CG 3.71Å; F1922-F1944 AromaticContact CG-CZ 3.85Å; F1922-F1944 HydrophobicContact CG-CZ 3.85Å; F1922-F1944 HydrophobicContact CZ-CB 3.82Å; F1922-F1944 HydrophobicContact CZ-CD1 4.11Å; F1922-F1944 HydrophobicContact CZ-CG 4.09Å; S1940-F1944 WeakPolarHBondContact O-CB 3.48Å; S1940-F1944 PolarHBondContact O-N 3.38Å; I1941-F1944 PolarHBondContact O-N 3.02Å; F1944-G1947 PolarHBondContact O-N 2.81Å; F1944-M1948 HydrophobicContact CE2-CE 4.06Å; F1944-M1948 HydrophobicContact CZ-CE 3.86Å; F1944-M1948 VanDerWaalsContact O-CB 3.32Å; F1944-M1948 WeakPolarHBondContact O-CB 3.33Å; F1944-M1948 PolarHBondContact O-N 2.87Å; F1944-I1991 HydrophobicContact CD1-CD1 3.79Å; F1944-I1991 HydrophobicContact CE1-CD1 3.74Å; F1944-I1991 HydrophobicContact CE1-CG1 4.38Å
1945	I	89.9	Confident	87.6	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-60.8	-47.8	176	-69.4	167.7	0	0	0	111.3	I1941 T1949 E1984 L1987 Q1988 I1991 L1992	I1941-I1945 HydrophobicContact CG2-CD1 3.72Å; I1941-I1945 WeakPolarHBondContact O-CG1 3.44Å; I1941-I1945 PolarHBondContact O-N 3.47Å; I1945-T1949 WeakPolarHBondContact O-CB 3.25Å; I1945-T1949 PolarHBondContact O-N 2.99Å; I1945-T1949 PolarHBondContact O-OG1 2.91Å; I1945-E1984 HydrophobicContact CG2-CG 3.75Å; I1945-E1984 WeakPolarHBondContact CG2-OE1 3.28Å; I1945-L1987 HydrophobicContact CG2-CB 4.33Å; I1945-Q1988 HydrophobicContact CD1-CG 4.08Å; I1945-Q1988 HydrophobicContact CG2-CG 4.38Å; I1945-I1991 HydrophobicContact CD1-CB 4.48Å; I1945-I1991 HydrophobicContact CD1-CG2 4.28Å; I1945-I1991 HydrophobicContact CG1-CB 4.5Å; I1945-I1991 HydrophobicContact CG1-CD1 3.73Å; I1945-I1991 HydrophobicContact CG1-CG2 4.37Å; I1945-L1992 HydrophobicContact CD1-CD2 4.41Å
1946	S	85.2	Confident	87	Confident	42 Å²	42	44.8 Å²	44.8	29%	0.294	23%	0.228	S	C	.	.	H	α-helix	trans	-65.5	-39.4	176.3	-60.2	0	0	0	0	112.6	R1942 T1949 N1950 N2160	R1942-S1946 PolarHBondContact O-N 3.49Å; R1942-S1946 PolarHBondContact O-OG 2.89Å; S1946-T1949 PolarHBondContact O-N 2.83Å; S1946-N1950 WeakPolarHBondContact O-CB 3.4Å; S1946-N1950 PolarHBondContact O-N 3.31Å; S1946-N1950 PolarHBondContact O-ND2 2.88Å; S1946-N1950 VanDerWaalsContact O-ND2 3.12Å; S1946-N2160 PolarHBondContact OG-ND2 3.29Å
1947	G	89.2	Confident	86.7	Confident	40 Å²	40	45.1 Å²	45.1	41%	0.412	23%	0.23	S	C	.	.	H	α-helix	trans	-60.8	-49.8	176.2	0	0	0	0	0	111.9	Q1943 F1944 N1950 Y1951	Q1943-G1947 PolarHBondContact O-N 3.09Å; F1944-G1947 PolarHBondContact O-N 2.81Å; G1947-N1950 PolarHBondContact O-N 3.48Å; G1947-Y1951 WeakPolarHBondContact O-CB 3.39Å; G1947-Y1951 PolarHBondContact O-N 3.31Å
1948	M	90.9	Very high	86.3	Confident	7 Å²	7	47.1 Å²	47.1	3%	0.034	24%	0.241	C	C	.	.	H	α-helix	trans	-67.2	-36	178.7	-169.1	58.6	71.6	0	0	112.2	I1915 Q1918 I1919 F1944 Y1951 L1952 L1987	I1915-M1948 HydrophobicContact CG2-SD 4.07Å; Q1918-M1948 HydrophobicContact CB-CE 4.07Å; I1919-M1948 HydrophobicContact CG1-CE 4.3Å; F1944-M1948 HydrophobicContact CE2-CE 4.06Å; F1944-M1948 HydrophobicContact CZ-CE 3.86Å; F1944-M1948 VanDerWaalsContact O-CB 3.32Å; F1944-M1948 WeakPolarHBondContact O-CB 3.33Å; F1944-M1948 PolarHBondContact O-N 2.87Å; M1948-Y1951 WeakPolarHBondContact O-CB 3.26Å; M1948-Y1951 PolarHBondContact O-N 3.33Å; M1948-Y1951 HydrophobicContact SD-CD1 3.95Å; M1948-Y1951 HydrophobicContact SD-CE1 4.44Å; M1948-Y1951 HydrophobicContact SD-CG 4.17Å; M1948-L1952 HydrophobicContact CG-CD1 4.24Å; M1948-L1952 WeakPolarHBondContact O-CD1 3.24Å; M1948-L1952 VanDerWaalsContact O-CG 3.22Å; M1948-L1952 WeakPolarHBondContact O-CG 3.2Å; M1948-L1952 PolarHBondContact O-N 3.48Å; M1948-L1987 HydrophobicContact CB-CD1 3.96Å; M1948-L1987 HydrophobicContact CB-CD2 4.06Å; M1948-L1987 HydrophobicContact CG-CD1 3.95Å; M1948-L1987 HydrophobicContact CG-CD2 3.51Å; M1948-L1987 HydrophobicContact CG-CG 4.4Å
1949	T	89.3	Confident	86.1	Confident	9 Å²	9	48.2 Å²	48.2	6%	0.055	25%	0.252	C	S	.	.	H	α-helix	trans	-62.2	-46.1	173.3	-54.4	0	0	0	0	111	I1945 S1946 L1952 L1953 L1983 E1984 L1987	I1945-T1949 WeakPolarHBondContact O-CB 3.25Å; I1945-T1949 PolarHBondContact O-N 2.99Å; I1945-T1949 PolarHBondContact O-OG1 2.91Å; S1946-T1949 PolarHBondContact O-N 2.83Å; T1949-L1952 PolarHBondContact O-N 2.98Å; T1949-L1953 HydrophobicContact CG2-CD1 4.26Å; T1949-L1953 WeakPolarHBondContact O-CG 3.42Å; T1949-L1953 PolarHBondContact O-N 3.47Å; T1949-L1953 VanDerWaalsContact O-N 3.09Å; T1949-L1983 HydrophobicContact CG2-CB 4.24Å; T1949-E1984 HydrophobicContact CG2-CB 4.36Å; T1949-L1987 VanDerWaalsContact OG1-CD1 3.29Å; T1949-L1987 WeakPolarHBondContact OG1-CD1 3.25Å
1950	N	87.1	Confident	86.1	Confident	94 Å²	94	43.6 Å²	43.6	50%	0.503	23%	0.231	S	C	.	.	H	α-helix	trans	-67	-36.2	176.4	-71.8	-34.2	0	0	0	112.7	S1946 G1947 K1954	S1946-N1950 WeakPolarHBondContact O-CB 3.4Å; S1946-N1950 PolarHBondContact O-N 3.31Å; S1946-N1950 PolarHBondContact O-ND2 2.88Å; S1946-N1950 VanDerWaalsContact O-ND2 3.12Å; G1947-N1950 PolarHBondContact O-N 3.48Å; N1950-K1954 WeakPolarHBondContact O-CB 3.39Å; N1950-K1954 WeakPolarHBondContact O-CG 3.41Å; N1950-K1954 PolarHBondContact O-N 3.31Å
1951	Y	89.6	Confident	86	Confident	20 Å²	20	44.3 Å²	44.3	8%	0.078	23%	0.234	C	C	.	.	H	α-helix	trans	-58.3	-51.5	172.4	175.6	-72.7	0	0	0	110.6	L597 W1313 I1915 G1947 M1948 L1953 K1954 N1955 L1958	L597-Y1951 HydrophobicContact CD1-CD2 3.98Å; L597-Y1951 HydrophobicContact CD1-CE2 3.64Å; W1313-Y1951 HydrophobicContact CE3-CE2 4.31Å; W1313-Y1951 AromaticContact CH2-CD2 3.78Å; W1313-Y1951 HydrophobicContact CH2-CD2 3.78Å; W1313-Y1951 HydrophobicContact CH2-CE1 4.09Å; W1313-Y1951 AromaticContact CH2-CE2 3.15Å; W1313-Y1951 HydrophobicContact CH2-CE2 3.15Å; W1313-Y1951 HydrophobicContact CH2-CG 4.47Å; W1313-Y1951 AromaticContact CH2-CZ 3.32Å; W1313-Y1951 WeakPolarHBondContact CH2-OH 3.3Å; W1313-Y1951 HydrophobicContact CZ2-CE2 4.08Å; W1313-Y1951 AromaticContact CZ3-CD2 3.47Å; W1313-Y1951 HydrophobicContact CZ3-CD2 3.47Å; W1313-Y1951 VanDerWaalsContact CZ3-CD2 3.47Å; W1313-Y1951 AromaticContact CZ3-CE2 3.28Å; W1313-Y1951 HydrophobicContact CZ3-CE2 3.28Å; W1313-Y1951 HydrophobicContact CZ3-CG 4.29Å; W1313-Y1951 AromaticContact CZ3-CZ 3.95Å; I1915-Y1951 HydrophobicContact CD1-CE1 3.98Å; I1915-Y1951 HydrophobicContact CG1-CE1 3.7Å; G1947-Y1951 WeakPolarHBondContact O-CB 3.39Å; G1947-Y1951 PolarHBondContact O-N 3.31Å; M1948-Y1951 WeakPolarHBondContact O-CB 3.26Å; M1948-Y1951 PolarHBondContact O-N 3.33Å; M1948-Y1951 HydrophobicContact SD-CD1 3.95Å; M1948-Y1951 HydrophobicContact SD-CE1 4.44Å; M1948-Y1951 HydrophobicContact SD-CG 4.17Å; Y1951-L1953 VanDerWaalsContact C-N 3.34Å; Y1951-L1953 PolarHBondContact O-N 2.86Å; Y1951-K1954 PolarHBondContact O-N 3.26Å; Y1951-K1954 VanDerWaalsContact O-N 3.17Å; Y1951-N1955 WeakPolarHBondContact O-CB 3.37Å; Y1951-N1955 PolarHBondContact O-N 3.19Å; Y1951-N1955 VanDerWaalsContact O-N 3.15Å; Y1951-N1955 PolarHBondContact O-ND2 2.98Å; Y1951-L1958 HydrophobicContact CE1-CD1 4.19Å
1952	L	88.9	Confident	85.8	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-63.5	-39.3	-178.7	-67.8	165.1	0	0	0	111.9	F1904 L1907 I1915 M1948 T1949 L1958 L1960 L1983 L1987	F1904-L1952 HydrophobicContact CD2-CD1 3.85Å; F1904-L1952 HydrophobicContact CE2-CD1 3.7Å; L1907-L1952 HydrophobicContact CD1-CD2 3.96Å; I1915-L1952 HydrophobicContact CD1-CD2 3.84Å; M1948-L1952 HydrophobicContact CG-CD1 4.24Å; M1948-L1952 WeakPolarHBondContact O-CD1 3.24Å; M1948-L1952 VanDerWaalsContact O-CG 3.22Å; M1948-L1952 WeakPolarHBondContact O-CG 3.2Å; M1948-L1952 PolarHBondContact O-N 3.48Å; T1949-L1952 PolarHBondContact O-N 2.98Å; L1952-L1958 HydrophobicContact CD2-CD1 4.01Å; L1952-L1960 WeakPolarHBondContact O-CD2 3.43Å; L1952-L1983 HydrophobicContact CB-CD1 4.02Å; L1952-L1983 HydrophobicContact CD1-CD2 4.27Å; L1952-L1987 HydrophobicContact CD1-CD1 3.99Å; L1952-L1987 HydrophobicContact CD1-CG 4.49Å
1953	L	85.2	Confident	85.8	Confident	33 Å²	33	49.5 Å²	49.5	17%	0.173	26%	0.259	C	S	.	.	H	α-helix	trans	-67.2	-33.6	175.1	-70.3	171.3	0	0	0	113.2	T1949 Y1951 L1960 V1979 L1983 Y2608	T1949-L1953 HydrophobicContact CG2-CD1 4.26Å; T1949-L1953 WeakPolarHBondContact O-CG 3.42Å; T1949-L1953 PolarHBondContact O-N 3.47Å; T1949-L1953 VanDerWaalsContact O-N 3.09Å; Y1951-L1953 VanDerWaalsContact C-N 3.34Å; Y1951-L1953 PolarHBondContact O-N 2.86Å; L1953-L1960 HydrophobicContact CD2-CD2 4.19Å; L1953-V1979 HydrophobicContact CD2-CB 4.35Å; L1953-V1979 HydrophobicContact CD2-CG1 3.94Å; L1953-L1983 HydrophobicContact CD2-CD1 3.94Å; L1953-L1983 HydrophobicContact CG-CD1 4.13Å; L1953-Y2608 HydrophobicContact CD2-CG 4.07Å
1954	K	84.5	Confident	85.8	Confident	121 Å²	121	44.7 Å²	44.7	53%	0.526	24%	0.238	S	C	.	.	H	α-helix	trans	-79.2	-16.8	178.5	-80.9	-171.8	171.7	-164.3	0	114.6	N1950 Y1951 P1956	N1950-K1954 WeakPolarHBondContact O-CB 3.39Å; N1950-K1954 WeakPolarHBondContact O-CG 3.41Å; N1950-K1954 PolarHBondContact O-N 3.31Å; Y1951-K1954 PolarHBondContact O-N 3.26Å; Y1951-K1954 VanDerWaalsContact O-N 3.17Å; K1954-P1956 VanDerWaalsContact C-CD 3.41Å; K1954-P1956 WeakPolarHBondContact O-CD 3.36Å
1955	N	83.4	Confident	85.4	Confident	17 Å²	17	47.6 Å²	47.6	9%	0.091	25%	0.252	C	S	.	.			trans	-114.1	72.4	-170.8	-72.4	-80.7	0	0	0	112.1	W1313 Y1951 Y1957 L1958	W1313-N1955 VanDerWaalsContact CH2-CG 3.48Å; W1313-N1955 VanDerWaalsContact CH2-ND2 3.29Å; W1313-N1955 WeakPolarHBondContact CH2-ND2 3.07Å; W1313-N1955 VanDerWaalsContact CH2-OD1 3.23Å; W1313-N1955 WeakPolarHBondContact CH2-OD1 3.45Å; W1313-N1955 VanDerWaalsContact CZ3-ND2 3.27Å; W1313-N1955 WeakPolarHBondContact CZ3-ND2 3.22Å; Y1951-N1955 WeakPolarHBondContact O-CB 3.37Å; Y1951-N1955 PolarHBondContact O-N 3.19Å; Y1951-N1955 VanDerWaalsContact O-N 3.15Å; Y1951-N1955 PolarHBondContact O-ND2 2.98Å; N1955-Y1957 HydrophobicContact CB-CD1 4.4Å; N1955-Y1957 HydrophobicContact CB-CE1 3.74Å; N1955-Y1957 PolarHBondContact O-N 3.01Å; N1955-Y1957 WeakPolarHBondContact OD1-CE1 3.18Å; N1955-Y1957 PolarHBondContact OD1-OH 3.13Å; N1955-L1958 HydrophobicContact CB-CD1 3.64Å; N1955-L1958 HydrophobicContact CB-CG 4.04Å; N1955-L1958 WeakPolarHBondContact O-CB 3.28Å; N1955-L1958 WeakPolarHBondContact O-CG 3.21Å; N1955-L1958 PolarHBondContact O-N 3.01Å
1956	P	72.3	Confident	85.2	Confident	64 Å²	64	52.9 Å²	52.9	42%	0.416	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-63.6	-25.2	-173.9	25.6	-35.3	0	0	0	113.9	K1954 L1958 G1959 P1961	K1954-P1956 VanDerWaalsContact C-CD 3.41Å; K1954-P1956 WeakPolarHBondContact O-CD 3.36Å; P1956-L1958 PolarHBondContact O-N 3.03Å; P1956-L1958 VanDerWaalsContact O-N 3.14Å; P1956-G1959 PolarHBondContact O-N 3.11Å; P1956-G1959 VanDerWaalsContact O-N 3.1Å; P1956-P1961 HydrophobicContact CB-CG 3.56Å; P1956-P1961 WeakPolarHBondContact O-CD 3.43Å
1957	Y	77.1	Confident	85.2	Confident	151 Å²	151	51.1 Å²	51.1	59%	0.592	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-62.5	-18.7	178.7	61.1	-98.8	0	0	0	113.6	W1313 N1955 G1959	W1313-Y1957 VanDerWaalsContact CZ2-OH 3.25Å; W1313-Y1957 WeakPolarHBondContact CZ2-OH 2.85Å; N1955-Y1957 HydrophobicContact CB-CD1 4.4Å; N1955-Y1957 HydrophobicContact CB-CE1 3.74Å; N1955-Y1957 PolarHBondContact O-N 3.01Å; N1955-Y1957 WeakPolarHBondContact OD1-CE1 3.18Å; N1955-Y1957 PolarHBondContact OD1-OH 3.13Å; Y1957-G1959 PolarHBondContact O-N 2.94Å
1958	L	80.9	Confident	85	Confident	45 Å²	45	51.3 Å²	51.3	24%	0.236	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-63	-19.9	174.4	-64.3	170.1	0	0	0	112.9	F1903 I1915 Y1951 L1952 N1955 P1956	F1903-L1958 WeakPolarHBondContact CE2-O 3.37Å; F1903-L1958 HydrophobicContact CZ-CB 4.15Å; I1915-L1958 HydrophobicContact CD1-CD1 3.66Å; I1915-L1958 HydrophobicContact CD1-CD2 3.81Å; I1915-L1958 HydrophobicContact CD1-CG 4.36Å; Y1951-L1958 HydrophobicContact CE1-CD1 4.19Å; L1952-L1958 HydrophobicContact CD2-CD1 4.01Å; N1955-L1958 HydrophobicContact CB-CD1 3.64Å; N1955-L1958 HydrophobicContact CB-CG 4.04Å; N1955-L1958 WeakPolarHBondContact O-CB 3.28Å; N1955-L1958 WeakPolarHBondContact O-CG 3.21Å; N1955-L1958 PolarHBondContact O-N 3.01Å; P1956-L1958 PolarHBondContact O-N 3.03Å; P1956-L1958 VanDerWaalsContact O-N 3.14Å
1959	G	82	Confident	84.7	Confident	23 Å²	23	57.1 Å²	57.1	24%	0.237	27%	0.273	C	S	.	.	S	Bend	trans	112.4	-1.4	-179.7	0	0	0	0	0	114.9	P1956 Y1957 P1961 K1962 A1963	P1956-G1959 PolarHBondContact O-N 3.11Å; P1956-G1959 VanDerWaalsContact O-N 3.1Å; Y1957-G1959 PolarHBondContact O-N 2.94Å; G1959-P1961 VanDerWaalsContact C-CD 3.44Å; G1959-K1962 PolarHBondContact O-N 3.3Å; G1959-K1962 VanDerWaalsContact O-N 3.09Å; G1959-A1963 PolarHBondContact O-N 3.48Å
1960	L	86.4	Confident	84.5	Confident	10 Å²	10	59.4 Å²	59.4	5%	0.052	28%	0.284	C	S	.	.	H	α-helix	trans	-52.5	-41.8	178.9	-179.6	62.3	0	0	0	113.8	I1900 F1903 L1952 L1953 K1962 A1963 V1964 V1979 L1983	I1900-L1960 HydrophobicContact CG2-CD1 4.41Å; F1903-L1960 HydrophobicContact CD1-CB 4.48Å; F1903-L1960 HydrophobicContact CD1-CD1 3.79Å; F1903-L1960 HydrophobicContact CE1-CB 3.74Å; F1903-L1960 HydrophobicContact CE1-CD1 3.67Å; F1903-L1960 HydrophobicContact CE1-CG 4.24Å; F1903-L1960 HydrophobicContact CZ-CB 3.74Å; L1952-L1960 WeakPolarHBondContact O-CD2 3.43Å; L1953-L1960 HydrophobicContact CD2-CD2 4.19Å; L1960-K1962 VanDerWaalsContact C-N 3.33Å; L1960-K1962 PolarHBondContact O-N 3.48Å; L1960-A1963 WeakPolarHBondContact O-CB 2.97Å; L1960-A1963 PolarHBondContact O-N 2.83Å; L1960-V1964 HydrophobicContact CD1-CG2 4.09Å; L1960-V1964 HydrophobicContact CG-CG2 4.25Å; L1960-V1964 WeakPolarHBondContact O-CG2 3.4Å; L1960-V1964 PolarHBondContact O-N 3.43Å; L1960-V1979 HydrophobicContact CD1-CG1 3.98Å; L1960-V1979 HydrophobicContact CD2-CG1 4.24Å; L1960-V1979 HydrophobicContact CG-CG1 4.44Å; L1960-L1983 HydrophobicContact CD1-CD1 4.19Å; L1960-L1983 HydrophobicContact CD1-CD2 4.3Å; L1960-L1983 HydrophobicContact CD2-CD1 3.87Å
1961	P	85	Confident	84.3	Confident	48 Å²	48	55.5 Å²	55.5	31%	0.312	26%	0.262	S	S	.	.	H	α-helix	trans	-58.3	-41.4	176.8	-24.8	35.1	0	0	0	113	P1956 G1959 A1963 V1964 E1965	P1956-P1961 HydrophobicContact CB-CG 3.56Å; P1956-P1961 WeakPolarHBondContact O-CD 3.43Å; G1959-P1961 VanDerWaalsContact C-CD 3.44Å; P1961-A1963 PolarHBondContact O-N 2.98Å; P1961-V1964 PolarHBondContact O-N 3.04Å; P1961-V1964 VanDerWaalsContact O-N 3.12Å; P1961-E1965 WeakPolarHBondContact O-CB 3.36Å; P1961-E1965 WeakPolarHBondContact O-CG 3.2Å; P1961-E1965 PolarHBondContact O-N 2.98Å
1962	K	86.4	Confident	83.9	Confident	149 Å²	149	59.2 Å²	59.2	65%	0.648	28%	0.284	S	S	*	.	H	α-helix	trans	-66.2	-17.9	177.3	-62.5	-172	176.6	-172.5	0	113.7	G1959 L1960 R1966	G1959-K1962 PolarHBondContact O-N 3.3Å; G1959-K1962 VanDerWaalsContact O-N 3.09Å; L1960-K1962 VanDerWaalsContact C-N 3.33Å; L1960-K1962 PolarHBondContact O-N 3.48Å; K1962-R1966 PolarHBondContact O-NE 3.28Å
1963	A	88	Confident	83.3	Confident	4 Å²	4	62.3 Å²	62.3	3%	0.033	30%	0.298	C	S	.	.	H	α-helix	trans	-85.9	-43.6	170.9	0	0	0	0	0	111.1	H1899 F1903 G1959 L1960 P1961 R1966 E1967	H1899-A1963 HydrophobicContact CB-CB 4.26Å; F1903-A1963 HydrophobicContact CB-CB 3.8Å; F1903-A1963 HydrophobicContact CG-CB 4.19Å; G1959-A1963 PolarHBondContact O-N 3.48Å; L1960-A1963 WeakPolarHBondContact O-CB 2.97Å; L1960-A1963 PolarHBondContact O-N 2.83Å; P1961-A1963 PolarHBondContact O-N 2.98Å; A1963-R1966 PolarHBondContact O-N 3.27Å; A1963-E1967 PolarHBondContact O-N 2.79Å; A1963-E1967 VanDerWaalsContact O-N 3.14Å
1964	V	88.2	Confident	82.9	Confident	18 Å²	18	63.5 Å²	63.5	11%	0.109	30%	0.302	C	S	.	.	H	α-helix	trans	-65.5	-40.7	178	176.9	0	0	0	0	111.8	I1900 L1960 P1961 R1966 E1967 K1968 V1979 A2610	I1900-V1964 HydrophobicContact CD1-CG2 4.41Å; I1900-V1964 HydrophobicContact CG1-CG2 4.49Å; L1960-V1964 HydrophobicContact CD1-CG2 4.09Å; L1960-V1964 HydrophobicContact CG-CG2 4.25Å; L1960-V1964 WeakPolarHBondContact O-CG2 3.4Å; L1960-V1964 PolarHBondContact O-N 3.43Å; P1961-V1964 PolarHBondContact O-N 3.04Å; P1961-V1964 VanDerWaalsContact O-N 3.12Å; V1964-R1966 PolarHBondContact O-N 2.91Å; V1964-E1967 PolarHBondContact O-N 3.46Å; V1964-K1968 HydrophobicContact CG1-CD 4.32Å; V1964-K1968 HydrophobicContact CG1-CG 4.45Å; V1964-K1968 WeakPolarHBondContact O-CG 3.42Å; V1964-K1968 PolarHBondContact O-N 3.38Å; V1964-V1979 HydrophobicContact CG1-CG2 4.08Å; V1964-V1979 HydrophobicContact CG2-CB 4.43Å; V1964-V1979 HydrophobicContact CG2-CG1 3.78Å; V1964-V1979 HydrophobicContact CG2-CG2 3.7Å; V1964-A2610 HydrophobicContact CG1-CB 3.54Å
1965	E	84.6	Confident	82.7	Confident	102 Å²	102	57.9 Å²	57.9	48%	0.477	28%	0.279	S	S	.	.	H	α-helix	trans	-64.4	-34.5	175.9	-74.8	169.5	-159.7	0	0	113.2	P1961 K1969	P1961-E1965 WeakPolarHBondContact O-CB 3.36Å; P1961-E1965 WeakPolarHBondContact O-CG 3.2Å; P1961-E1965 PolarHBondContact O-N 2.98Å; E1965-K1969 WeakPolarHBondContact O-CG 3.33Å; E1965-K1969 PolarHBondContact O-N 3.42Å
1966	R	85.8	Confident	82.8	Confident	113 Å²	113	57.2 Å²	57.2	43%	0.426	28%	0.275	S	S	.	.	H	α-helix	trans	-66.6	-45.8	171.8	-88	-172	-84.1	-160.7	-8.7	110.9	H1899 K1962 A1963 V1964 K1968 K1969 E1970	H1899-R1966 HydrophobicContact CB-CB 4.36Å; K1962-R1966 PolarHBondContact O-NE 3.28Å; A1963-R1966 PolarHBondContact O-N 3.27Å; V1964-R1966 PolarHBondContact O-N 2.91Å; R1966-K1968 VanDerWaalsContact C-N 3.34Å; R1966-K1968 PolarHBondContact O-N 2.93Å; R1966-K1969 PolarHBondContact O-N 3.33Å; R1966-K1969 VanDerWaalsContact O-N 3.17Å; R1966-E1970 PolarHBondContact O-N 3.2Å; R1966-E1970 VanDerWaalsContact O-N 3.15Å
1967	E	84.8	Confident	83.3	Confident	5 Å²	5	54.1 Å²	54.1	2%	0.023	26%	0.255	C	S	.	.	H	α-helix	trans	-61	-41.3	176.8	-139.1	70.9	-174.4	0	0	112.1	G1897 R1898 H1899 A1963 V1964 K1969 E1970 L1971 V1977	G1897-E1967 VanDerWaalsContact CA-OE1 3.3Å; G1897-E1967 WeakPolarHBondContact CA-OE1 3.48Å; G1897-E1967 PolarHBondContact N-OE1 2.79Å; R1898-E1967 PolarHBondContact N-OE1 2.91Å; H1899-E1967 WeakPolarHBondContact CB-OE2 3.22Å; H1899-E1967 IonicContact CG-OE2 2.94Å; H1899-E1967 PolarHBondContact N-OE2 2.84Å; H1899-E1967 IonicContact ND1-OE2 3.42Å; H1899-E1967 PolarHBondContact ND1-OE2 2.97Å; A1963-E1967 PolarHBondContact O-N 2.79Å; A1963-E1967 VanDerWaalsContact O-N 3.14Å; V1964-E1967 PolarHBondContact O-N 3.46Å; E1967-K1969 VanDerWaalsContact C-N 3.26Å; E1967-K1969 PolarHBondContact O-N 3.42Å; E1967-E1970 PolarHBondContact O-N 3.39Å; E1967-L1971 VanDerWaalsContact O-CG 3.28Å; E1967-L1971 WeakPolarHBondContact O-CG 3.29Å; E1967-L1971 PolarHBondContact O-N 2.87Å; E1967-V1977 HydrophobicContact CB-CG1 4.43Å; E1967-V1977 HydrophobicContact CG-CG1 4.4Å; E1967-V1977 HydrophobicContact CG-CG2 4.41Å
1968	K	85.4	Confident	83.8	Confident	43 Å²	43	48.3 Å²	48.3	19%	0.187	23%	0.234	C	C	.	.	H	α-helix	trans	-58.4	-32.1	175.4	-75	172.8	124.5	-70.6	0	114.1	V1964 R1966 A2610 L2611 S2612 D2613	V1964-K1968 HydrophobicContact CG1-CD 4.32Å; V1964-K1968 HydrophobicContact CG1-CG 4.45Å; V1964-K1968 WeakPolarHBondContact O-CG 3.42Å; V1964-K1968 PolarHBondContact O-N 3.38Å; R1966-K1968 VanDerWaalsContact C-N 3.34Å; R1966-K1968 PolarHBondContact O-N 2.93Å; K1968-A2610 HydrophobicContact CD-CB 4.12Å; K1968-A2610 HydrophobicContact CG-CB 3.85Å; K1968-L2611 PolarHBondContact NZ-O 2.82Å; K1968-S2612 PolarHBondContact O-OG 3.43Å; K1968-D2613 WeakPolarHBondContact CB-OD2 3.22Å; K1968-D2613 IonicContact NZ-OD1 2.79Å; K1968-D2613 PolarHBondContact NZ-OD1 2.22Å; K1968-D2613 PolarHBondContact O-N 2.2Å
1969	K	84.2	Confident	84	Confident	129 Å²	129	46.2 Å²	46.2	56%	0.561	22%	0.223	S	C	*	.	H	α-helix	trans	-79.8	-33.6	177.7	-68.9	169.8	-175.9	179.5	0	112.2	E1965 R1966 E1967 R2614	E1965-K1969 WeakPolarHBondContact O-CG 3.33Å; E1965-K1969 PolarHBondContact O-N 3.42Å; R1966-K1969 PolarHBondContact O-N 3.33Å; R1966-K1969 VanDerWaalsContact O-N 3.17Å; E1967-K1969 VanDerWaalsContact C-N 3.26Å; E1967-K1969 PolarHBondContact O-N 3.42Å; K1969-R2614 PolarHBondContact O-NE 3.3Å; K1969-R2614 PolarHBondContact O-NH2 3.34Å
1970	E	85.6	Confident	84.2	Confident	58 Å²	58	45.7 Å²	45.7	27%	0.271	22%	0.217	S	C	.	.	H	α-helix	trans	-80.9	-25.8	177.8	-65	-160.9	142.2	0	0	113.9	K1894 H1899 R1966 E1967	K1894-E1970 VanDerWaalsContact CD-CD 3.49Å; K1894-E1970 HydrophobicContact CD-CG 4.4Å; K1894-E1970 WeakPolarHBondContact CD-OE1 3.38Å; K1894-E1970 WeakPolarHBondContact CD-OE2 3.33Å; K1894-E1970 IonicContact NZ-OE1 2.74Å; K1894-E1970 PolarHBondContact NZ-OE1 3.23Å; H1899-E1970 IonicContact CE1-OE1 3.13Å; H1899-E1970 IonicContact CE1-OE2 3.04Å; H1899-E1970 PolarHBondContact CE1-OE2 3.25Å; H1899-E1970 VanDerWaalsContact CE1-OE2 3.25Å; H1899-E1970 IonicContact ND1-OE2 3.74Å; R1966-E1970 PolarHBondContact O-N 3.2Å; R1966-E1970 VanDerWaalsContact O-N 3.15Å; E1967-E1970 PolarHBondContact O-N 3.39Å
1971	L	82.8	Confident	84	Confident	11 Å²	11	50.5 Å²	50.5	6%	0.058	24%	0.238	C	C	.	.	S	Bend	trans	-60	136.3	177.4	-80.9	168.6	0	0	0	112.9	V1896 E1967 V1977 S2612 R2614	V1896-L1971 HydrophobicContact CG1-CD2 4.1Å; V1896-L1971 HydrophobicContact CG2-CD2 4.02Å; E1967-L1971 VanDerWaalsContact O-CG 3.28Å; E1967-L1971 WeakPolarHBondContact O-CG 3.29Å; E1967-L1971 PolarHBondContact O-N 2.87Å; L1971-V1977 HydrophobicContact CD1-CB 4.13Å; L1971-V1977 HydrophobicContact CD1-CG1 4Å; L1971-S2612 PolarHBondContact O-OG 3.11Å; L1971-R2614 PolarHBondContact O-NE 3.12Å
1972	N	80.1	Confident	84.1	Confident	98 Å²	98	49 Å²	49	52%	0.524	23%	0.227	S	C	.	.			trans	-50.9	159.7	167.9	-65.6	2	0	0	0	111.6	F1974 G1975 S2612	N1972-F1974 VanDerWaalsContact C-N 3.33Å; N1972-F1974 PolarHBondContact O-N 2.69Å; N1972-G1975 WeakPolarHBondContact O-CA 3.46Å; N1972-G1975 PolarHBondContact O-N 3.35Å; N1972-S2612 WeakPolarHBondContact O-CB 3.05Å; N1972-S2612 PolarHBondContact O-OG 3.21Å
1973	E	76.5	Confident	84.2	Confident	66 Å²	66	41.9 Å²	41.9	31%	0.308	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-45.5	-174	-171.5	174	-172.5	0	0	114.2	R2614 L2615 S2618	E1973-R2614 HydrophobicContact CB-CB 4.45Å; E1973-R2614 HydrophobicContact CG-CB 4.37Å; E1973-L2615 WeakPolarHBondContact O-CB 3.39Å; E1973-L2615 VanDerWaalsContact O-CD1 3.31Å; E1973-L2615 WeakPolarHBondContact O-CD1 3.19Å; E1973-S2618 WeakPolarHBondContact OE1-CB 3.4Å; E1973-S2618 PolarHBondContact OE1-OG 3.01Å
1974	F	76.4	Confident	84.1	Confident	59 Å²	59	42.9 Å²	42.9	26%	0.259	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	11.5	175.1	-62.7	-77.4	0	0	0	113.7	N1972 Q2423 L2424 L2615 I2623	N1972-F1974 VanDerWaalsContact C-N 3.33Å; N1972-F1974 PolarHBondContact O-N 2.69Å; F1974-Q2423 CarbonylContact O-C 3.2Å; F1974-Q2423 WeakPolarHBondContact O-CA 3.43Å; F1974-L2424 HydrophobicContact CB-CB 4.24Å; F1974-L2424 HydrophobicContact CD1-CB 4.45Å; F1974-L2424 WeakPolarHBondContact O-CB 3.25Å; F1974-L2424 PolarHBondContact O-N 2.97Å; F1974-L2615 HydrophobicContact CD1-CD1 3.55Å; F1974-L2615 HydrophobicContact CE1-CD1 3.82Å; F1974-L2615 HydrophobicContact CG-CD1 4.38Å; F1974-I2623 HydrophobicContact CE1-CD1 3.97Å; F1974-I2623 HydrophobicContact CZ-CD1 4.03Å; F1974-I2623 HydrophobicContact CZ-CG1 4.47Å
1975	G	80.7	Confident	83.9	Confident	3 Å²	3	43.7 Å²	43.7	3%	0.031	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-79.9	149.6	-179	0	0	0	0	0	113.3	N1972 S2612	N1972-G1975 WeakPolarHBondContact O-CA 3.46Å; N1972-G1975 PolarHBondContact O-N 3.35Å; G1975-S2612 PolarHBondContact O-N 2.97Å
1976	Y	85	Confident	84.1	Confident	2 Å²	2	39.3 Å²	39.3	1%	0.008	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	165.3	169.7	73.6	-91.8	0	0	0	111.5	M2417 N2418 E2419 N2422 L2424 F2609 A2610	Y1976-M2417 HydrophobicContact CD1-CB 4.49Å; Y1976-M2417 HydrophobicContact CD1-CE 4.42Å; Y1976-M2417 HydrophobicContact CD1-CG 3.95Å; Y1976-M2417 HydrophobicContact CD2-CE 3.53Å; Y1976-M2417 HydrophobicContact CD2-SD 4.37Å; Y1976-M2417 HydrophobicContact CE1-CB 3.89Å; Y1976-M2417 HydrophobicContact CE1-CE 4.26Å; Y1976-M2417 HydrophobicContact CE1-CG 3.86Å; Y1976-M2417 HydrophobicContact CE2-CE 3.36Å; Y1976-M2417 HydrophobicContact CG-CE 4.08Å; Y1976-M2417 HydrophobicContact CG-CG 4.37Å; Y1976-M2417 HydrophobicContact CG-SD 4.36Å; Y1976-N2418 PolarHBondContact OH-O 3.34Å; Y1976-E2419 VanDerWaalsContact OH-CA 3.22Å; Y1976-E2419 WeakPolarHBondContact OH-CA 3.27Å; Y1976-E2419 PolarHBondContact OH-N 2.87Å; Y1976-N2422 WeakPolarHBondContact CD1-O 3.22Å; Y1976-N2422 PolarHBondContact N-O 3.43Å; Y1976-N2422 VanDerWaalsContact N-O 3.13Å; Y1976-L2424 HydrophobicContact CD1-CG 4.37Å; Y1976-F2609 HydrophobicContact CD2-CD1 4.39Å; Y1976-F2609 HydrophobicContact CE2-CD1 4.4Å; Y1976-A2610 CarbonylContact C-O 3.58Å; Y1976-A2610 WeakPolarHBondContact CA-O 3.31Å
1977	V	84.2	Confident	84.3	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	135	175.3	63.2	0	0	0	0	111.3	V1896 I1900 E1967 L1971 V1979 H1982 F2609 A2610	V1896-V1977 HydrophobicContact CG1-CB 3.92Å; V1896-V1977 HydrophobicContact CG1-CG2 3.8Å; I1900-V1977 HydrophobicContact CD1-CG2 3.77Å; E1967-V1977 HydrophobicContact CB-CG1 4.43Å; E1967-V1977 HydrophobicContact CG-CG1 4.4Å; E1967-V1977 HydrophobicContact CG-CG2 4.41Å; L1971-V1977 HydrophobicContact CD1-CB 4.13Å; L1971-V1977 HydrophobicContact CD1-CG1 4Å; V1977-V1979 HydrophobicContact CG1-CG2 4.46Å; V1977-H1982 WeakPolarHBondContact CG2-CD2 3.04Å; V1977-H1982 WeakPolarHBondContact CG2-NE2 3.43Å; V1977-F2609 WeakPolarHBondContact O-CA 3.48Å; V1977-A2610 HydrophobicContact CG1-CB 3.81Å; V1977-A2610 PolarHBondContact N-O 2.93Å; V1977-A2610 PolarHBondContact O-N 3.48Å
1978	N	86.2	Confident	84.4	Confident	29 Å²	29	35.6 Å²	35.6	16%	0.155	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	96.5	172.4	-178.6	-14.9	0	0	0	109.3	G1980 F1981 H1982 F2609	N1978-G1980 VanDerWaalsContact C-N 3.3Å; N1978-G1980 PolarHBondContact O-N 3.02Å; N1978-G1980 PolarHBondContact OD1-N 3.37Å; N1978-F1981 HydrophobicContact CB-CB 3.93Å; N1978-F1981 VanDerWaalsContact CG-CB 3.49Å; N1978-F1981 PolarHBondContact O-N 3.31Å; N1978-F1981 PolarHBondContact OD1-N 3.04Å; N1978-F1981 VanDerWaalsContact OD1-N 3.07Å; N1978-H1982 PolarHBondContact O-CD2 2.91Å; N1978-H1982 PolarHBondContact O-N 3.19Å; N1978-F2609 HydrophobicContact CB-CD1 3.86Å; N1978-F2609 HydrophobicContact CB-CE1 3.81Å; N1978-F2609 WeakPolarHBondContact ND2-CE1 3.18Å
1979	V	86.4	Confident	84.5	Confident	1 Å²	1	36 Å²	36	1%	0.006	18%	0.175	C	C	.	.	H	α-helix	trans	-62	-40.2	-174	-175.3	0	0	0	0	111.2	I1900 L1953 L1960 V1964 V1977 F1981 H1982 L1983 Y2608 A2610	I1900-V1979 HydrophobicContact CD1-CB 4.38Å; I1900-V1979 HydrophobicContact CD1-CG1 4.2Å; I1900-V1979 HydrophobicContact CD1-CG2 4.15Å; L1953-V1979 HydrophobicContact CD2-CB 4.35Å; L1953-V1979 HydrophobicContact CD2-CG1 3.94Å; L1960-V1979 HydrophobicContact CD1-CG1 3.98Å; L1960-V1979 HydrophobicContact CD2-CG1 4.24Å; L1960-V1979 HydrophobicContact CG-CG1 4.44Å; V1964-V1979 HydrophobicContact CG1-CG2 4.08Å; V1964-V1979 HydrophobicContact CG2-CB 4.43Å; V1964-V1979 HydrophobicContact CG2-CG1 3.78Å; V1964-V1979 HydrophobicContact CG2-CG2 3.7Å; V1977-V1979 HydrophobicContact CG1-CG2 4.46Å; V1979-F1981 PolarHBondContact O-N 3.29Å; V1979-H1982 PolarHBondContact O-N 3.02Å; V1979-L1983 HydrophobicContact CG1-CD1 4.07Å; V1979-L1983 WeakPolarHBondContact O-CG 3.42Å; V1979-L1983 PolarHBondContact O-N 2.75Å; V1979-L1983 VanDerWaalsContact O-N 3.08Å; V1979-Y2608 WeakPolarHBondContact CB-O 3.03Å; V1979-Y2608 PolarHBondContact N-O 3.35Å; V1979-A2610 HydrophobicContact CG2-CB 4.48Å
1980	G	85.2	Confident	84.8	Confident	11 Å²	11	33.3 Å²	33.3	11%	0.113	16%	0.162	C	C	.	.	H	α-helix	trans	-62.2	-41.8	177.4	0	0	0	0	0	112.8	N1978 L1983 E1984	N1978-G1980 VanDerWaalsContact C-N 3.3Å; N1978-G1980 PolarHBondContact O-N 3.02Å; N1978-G1980 PolarHBondContact OD1-N 3.37Å; G1980-L1983 PolarHBondContact O-N 2.81Å; G1980-E1984 WeakPolarHBondContact O-CB 3.29Å; G1980-E1984 PolarHBondContact O-N 3.4Å
1981	F	82.9	Confident	85.1	Confident	111 Å²	111	30.5 Å²	30.5	49%	0.487	15%	0.149	S	C	.	.	H	α-helix	trans	-63.5	-43.9	177.1	172.9	-102.1	0	0	0	112.7	N1978 V1979 E1984 S1985	N1978-F1981 HydrophobicContact CB-CB 3.93Å; N1978-F1981 VanDerWaalsContact CG-CB 3.49Å; N1978-F1981 PolarHBondContact O-N 3.31Å; N1978-F1981 PolarHBondContact OD1-N 3.04Å; N1978-F1981 VanDerWaalsContact OD1-N 3.07Å; V1979-F1981 PolarHBondContact O-N 3.29Å; F1981-E1984 PolarHBondContact O-N 3.04Å; F1981-S1985 WeakPolarHBondContact O-CB 3.43Å; F1981-S1985 PolarHBondContact O-N 3.02Å
1982	H	86.7	Confident	85.4	Confident	17 Å²	17	30.1 Å²	30.1	8%	0.079	15%	0.147	C	C	.	.	H	α-helix	trans	-69.4	-33.8	178.8	-66	-67.7	0	0	0	112.7	V1896 I1900 V1977 N1978 V1979 A1986	V1896-H1982 PolarHBondContact O-CE1 2.94Å; I1900-H1982 HydrophobicContact CB-CB 4.22Å; I1900-H1982 HydrophobicContact CD1-CB 4.46Å; I1900-H1982 HydrophobicContact CG2-CB 3.89Å; V1977-H1982 WeakPolarHBondContact CG2-CD2 3.04Å; V1977-H1982 WeakPolarHBondContact CG2-NE2 3.43Å; N1978-H1982 PolarHBondContact O-CD2 2.91Å; N1978-H1982 PolarHBondContact O-N 3.19Å; V1979-H1982 PolarHBondContact O-N 3.02Å; H1982-A1986 WeakPolarHBondContact O-CB 3.35Å; H1982-A1986 PolarHBondContact O-N 2.98Å
1983	L	89.3	Confident	85.8	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-68.8	-45.6	172.5	-69.4	174.2	0	0	0	112.1	I1900 F1903 T1949 L1952 L1953 L1960 V1979 G1980 S1985 A1986 L1987	I1900-L1983 HydrophobicContact CG2-CD2 3.79Å; I1900-L1983 HydrophobicContact CG2-CG 3.95Å; F1903-L1983 HydrophobicContact CD1-CD2 4.43Å; F1903-L1983 HydrophobicContact CE1-CD2 4.44Å; T1949-L1983 HydrophobicContact CG2-CB 4.24Å; L1952-L1983 HydrophobicContact CB-CD1 4.02Å; L1952-L1983 HydrophobicContact CD1-CD2 4.27Å; L1953-L1983 HydrophobicContact CD2-CD1 3.94Å; L1953-L1983 HydrophobicContact CG-CD1 4.13Å; L1960-L1983 HydrophobicContact CD1-CD1 4.19Å; L1960-L1983 HydrophobicContact CD1-CD2 4.3Å; L1960-L1983 HydrophobicContact CD2-CD1 3.87Å; V1979-L1983 HydrophobicContact CG1-CD1 4.07Å; V1979-L1983 WeakPolarHBondContact O-CG 3.42Å; V1979-L1983 PolarHBondContact O-N 2.75Å; V1979-L1983 VanDerWaalsContact O-N 3.08Å; G1980-L1983 PolarHBondContact O-N 2.81Å; L1983-S1985 VanDerWaalsContact C-N 3.35Å; L1983-S1985 PolarHBondContact O-N 3.3Å; L1983-A1986 PolarHBondContact O-N 2.95Å; L1983-L1987 WeakPolarHBondContact O-CB 3.29Å; L1983-L1987 WeakPolarHBondContact O-CG 3.26Å; L1983-L1987 PolarHBondContact O-N 3.09Å
1984	E	85.8	Confident	86.3	Confident	24 Å²	24	29.7 Å²	29.7	11%	0.112	15%	0.145	C	C	.	.	H	α-helix	trans	-63.8	-40	175.3	175	159.6	-151.7	0	0	111.3	I1945 T1949 G1980 F1981 A1986 L1987 Q1988 N2160	I1945-E1984 HydrophobicContact CG2-CG 3.75Å; I1945-E1984 WeakPolarHBondContact CG2-OE1 3.28Å; T1949-E1984 HydrophobicContact CG2-CB 4.36Å; G1980-E1984 WeakPolarHBondContact O-CB 3.29Å; G1980-E1984 PolarHBondContact O-N 3.4Å; F1981-E1984 PolarHBondContact O-N 3.04Å; E1984-A1986 PolarHBondContact O-N 3.44Å; E1984-L1987 PolarHBondContact O-N 3.37Å; E1984-Q1988 HydrophobicContact CG-CG 4.22Å; E1984-Q1988 VanDerWaalsContact CG-NE2 3.35Å; E1984-Q1988 VanDerWaalsContact O-CB 3.31Å; E1984-Q1988 WeakPolarHBondContact O-CB 3.43Å; E1984-Q1988 VanDerWaalsContact O-CG 3.25Å; E1984-Q1988 WeakPolarHBondContact O-CG 3.21Å; E1984-Q1988 PolarHBondContact O-N 2.99Å; E1984-Q1988 PolarHBondContact OE1-NE2 3.3Å; E1984-N2160 VanDerWaalsContact OE1-CB 3.27Å; E1984-N2160 WeakPolarHBondContact OE1-CB 2.95Å; E1984-N2160 PolarHBondContact OE1-ND2 2.96Å
1985	S	83.4	Confident	86.9	Confident	36 Å²	36	27 Å²	27	25%	0.252	13%	0.133	S	C	.	.	H	α-helix	trans	-60.5	-43.6	174.4	174.7	0	0	0	0	112.2	F1981 L1983 R1989	F1981-S1985 WeakPolarHBondContact O-CB 3.43Å; F1981-S1985 PolarHBondContact O-N 3.02Å; L1983-S1985 VanDerWaalsContact C-N 3.35Å; L1983-S1985 PolarHBondContact O-N 3.3Å; S1985-R1989 PolarHBondContact O-N 2.69Å
1986	A	88.9	Confident	87.3	Confident	9 Å²	9	27.8 Å²	27.8	7%	0.074	14%	0.136	C	C	.	.	H	α-helix	trans	-65.1	-49.3	175	0	0	0	0	0	111.4	F1904 H1982 L1983 E1984 Q1988 R1989 Y1990	F1904-A1986 HydrophobicContact CB-CB 4.06Å; F1904-A1986 HydrophobicContact CD1-CB 3.62Å; F1904-A1986 HydrophobicContact CE1-CB 4.39Å; F1904-A1986 HydrophobicContact CG-CB 3.95Å; H1982-A1986 WeakPolarHBondContact O-CB 3.35Å; H1982-A1986 PolarHBondContact O-N 2.98Å; L1983-A1986 PolarHBondContact O-N 2.95Å; E1984-A1986 PolarHBondContact O-N 3.44Å; A1986-Q1988 VanDerWaalsContact C-N 3.33Å; A1986-Q1988 PolarHBondContact O-N 3.44Å; A1986-R1989 WeakPolarHBondContact O-CB 3.47Å; A1986-R1989 PolarHBondContact O-N 3.12Å; A1986-Y1990 WeakPolarHBondContact O-CD2 3.48Å; A1986-Y1990 PolarHBondContact O-N 3.32Å
1987	L	89.5	Confident	87.4	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-56.7	-43.9	176.2	-79.8	164	0	0	0	112.3	F1904 I1919 I1945 M1948 T1949 L1952 L1983 E1984 R1989 Y1990 I1991	F1904-L1987 HydrophobicContact CE1-CD2 4.3Å; F1904-L1987 HydrophobicContact CE1-CG 4.5Å; F1904-L1987 HydrophobicContact CE2-CD2 3.81Å; F1904-L1987 HydrophobicContact CE2-CG 4.1Å; F1904-L1987 HydrophobicContact CZ-CD2 3.43Å; F1904-L1987 VanDerWaalsContact CZ-CD2 3.43Å; F1904-L1987 HydrophobicContact CZ-CG 3.91Å; I1919-L1987 HydrophobicContact CD1-CD2 3.84Å; I1945-L1987 HydrophobicContact CG2-CB 4.33Å; M1948-L1987 HydrophobicContact CB-CD1 3.96Å; M1948-L1987 HydrophobicContact CB-CD2 4.06Å; M1948-L1987 HydrophobicContact CG-CD1 3.95Å; M1948-L1987 HydrophobicContact CG-CD2 3.51Å; M1948-L1987 HydrophobicContact CG-CG 4.4Å; T1949-L1987 VanDerWaalsContact OG1-CD1 3.29Å; T1949-L1987 WeakPolarHBondContact OG1-CD1 3.25Å; L1952-L1987 HydrophobicContact CD1-CD1 3.99Å; L1952-L1987 HydrophobicContact CD1-CG 4.49Å; L1983-L1987 WeakPolarHBondContact O-CB 3.29Å; L1983-L1987 WeakPolarHBondContact O-CG 3.26Å; L1983-L1987 PolarHBondContact O-N 3.09Å; E1984-L1987 PolarHBondContact O-N 3.37Å; L1987-R1989 VanDerWaalsContact C-N 3.28Å; L1987-R1989 PolarHBondContact O-N 3.3Å; L1987-Y1990 PolarHBondContact O-N 3.17Å; L1987-I1991 HydrophobicContact CB-CD1 4.21Å; L1987-I1991 HydrophobicContact CD2-CD1 3.86Å; L1987-I1991 VanDerWaalsContact O-CB 3.29Å; L1987-I1991 WeakPolarHBondContact O-CB 3.44Å; L1987-I1991 WeakPolarHBondContact O-CG1 3.43Å; L1987-I1991 PolarHBondContact O-N 2.69Å
1988	Q	88.1	Confident	87.6	Confident	41 Å²	41	34.8 Å²	34.8	19%	0.192	17%	0.171	C	C	.	.	H	α-helix	trans	-58.4	-37.6	174.5	-78.3	179	19.1	0	0	111.9	I1945 E1984 A1986 L1992	I1945-Q1988 HydrophobicContact CD1-CG 4.08Å; I1945-Q1988 HydrophobicContact CG2-CG 4.38Å; E1984-Q1988 HydrophobicContact CG-CG 4.22Å; E1984-Q1988 VanDerWaalsContact CG-NE2 3.35Å; E1984-Q1988 VanDerWaalsContact O-CB 3.31Å; E1984-Q1988 WeakPolarHBondContact O-CB 3.43Å; E1984-Q1988 VanDerWaalsContact O-CG 3.25Å; E1984-Q1988 WeakPolarHBondContact O-CG 3.21Å; E1984-Q1988 PolarHBondContact O-N 2.99Å; E1984-Q1988 PolarHBondContact OE1-NE2 3.3Å; A1986-Q1988 VanDerWaalsContact C-N 3.33Å; A1986-Q1988 PolarHBondContact O-N 3.44Å; Q1988-L1992 HydrophobicContact CB-CD1 3.92Å; Q1988-L1992 HydrophobicContact CB-CG 4.42Å; Q1988-L1992 HydrophobicContact CG-CD1 4.02Å; Q1988-L1992 WeakPolarHBondContact O-CA 3.1Å; Q1988-L1992 WeakPolarHBondContact O-CB 3.37Å; Q1988-L1992 VanDerWaalsContact O-CG 3.29Å; Q1988-L1992 WeakPolarHBondContact O-CG 3.42Å; Q1988-L1992 PolarHBondContact O-N 2.93Å
1989	R	87.1	Confident	87.7	Confident	51 Å²	51	33.5 Å²	33.5	19%	0.192	16%	0.164	C	C	.	.	H	α-helix	trans	-65.2	-48.3	175.9	-177.6	162.2	-179.1	-157.8	-9.8	112.5	D140 S1985 A1986 L1987 K1993 Y2061	D140-R1989 IonicContact OD2-CZ 3.44Å; D140-R1989 IonicContact OD2-NE 3.16Å; D140-R1989 IonicContact OD2-NH2 3.96Å; D140-R1989 PolarHBondContact OD2-NH2 2.85Å; S1985-R1989 PolarHBondContact O-N 2.69Å; A1986-R1989 WeakPolarHBondContact O-CB 3.47Å; A1986-R1989 PolarHBondContact O-N 3.12Å; L1987-R1989 VanDerWaalsContact C-N 3.28Å; L1987-R1989 PolarHBondContact O-N 3.3Å; R1989-K1993 VanDerWaalsContact O-CB 3.27Å; R1989-K1993 WeakPolarHBondContact O-CB 3.48Å; R1989-K1993 PolarHBondContact O-N 2.79Å; R1989-Y2061 HydrophobicContact CG-CE2 4.49Å
1990	Y	89.8	Confident	87.8	Confident	72 Å²	72	34.1 Å²	34.1	28%	0.282	17%	0.167	S	C	.	.	H	α-helix	trans	-74.2	-27.4	-178.9	-72.6	-88.1	0	0	0	113.8	F1904 H1905 M1908 A1986 L1987 P1994	F1904-Y1990 AromaticContact CD1-CD2 3.91Å; F1904-Y1990 HydrophobicContact CD1-CD2 3.91Å; F1904-Y1990 AromaticContact CD1-CE2 3.96Å; F1904-Y1990 HydrophobicContact CD1-CE2 3.96Å; F1904-Y1990 AromaticContact CE1-CD2 3.55Å; F1904-Y1990 HydrophobicContact CE1-CD2 3.55Å; F1904-Y1990 HydrophobicContact CE1-CE2 4.04Å; F1904-Y1990 HydrophobicContact CE1-CG 4.18Å; H1905-Y1990 PolarHBondContact ND1-OH 2.95Å; M1908-Y1990 HydrophobicContact CB-CD1 4.37Å; M1908-Y1990 HydrophobicContact CB-CE1 4.04Å; M1908-Y1990 HydrophobicContact CE-CD1 4.16Å; M1908-Y1990 HydrophobicContact CE-CG 4.47Å; M1908-Y1990 HydrophobicContact CG-CD1 4.11Å; M1908-Y1990 HydrophobicContact CG-CD2 4.3Å; M1908-Y1990 HydrophobicContact CG-CE1 4.15Å; M1908-Y1990 HydrophobicContact CG-CE2 4.35Å; M1908-Y1990 HydrophobicContact CG-CG 4.2Å; A1986-Y1990 WeakPolarHBondContact O-CD2 3.48Å; A1986-Y1990 PolarHBondContact O-N 3.32Å; L1987-Y1990 PolarHBondContact O-N 3.17Å; Y1990-P1994 WeakPolarHBondContact O-CD 3.42Å; Y1990-P1994 WeakPolarHBondContact O-CG 3.27Å
1991	I	91.2	Very high	87.8	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-94.3	-40.2	-177.1	-64.5	160.2	0	0	0	111.9	I1919 F1922 I1941 F1944 I1945 L1987 L1995	I1919-I1991 HydrophobicContact CG2-CG1 4.16Å; F1922-I1991 HydrophobicContact CD1-CG2 4.42Å; F1922-I1991 HydrophobicContact CE1-CG2 4.03Å; I1941-I1991 HydrophobicContact CG2-CG2 4.03Å; F1944-I1991 HydrophobicContact CD1-CD1 3.79Å; F1944-I1991 HydrophobicContact CE1-CD1 3.74Å; F1944-I1991 HydrophobicContact CE1-CG1 4.38Å; I1945-I1991 HydrophobicContact CD1-CB 4.48Å; I1945-I1991 HydrophobicContact CD1-CG2 4.28Å; I1945-I1991 HydrophobicContact CG1-CB 4.5Å; I1945-I1991 HydrophobicContact CG1-CD1 3.73Å; I1945-I1991 HydrophobicContact CG1-CG2 4.37Å; L1987-I1991 HydrophobicContact CB-CD1 4.21Å; L1987-I1991 HydrophobicContact CD2-CD1 3.86Å; L1987-I1991 VanDerWaalsContact O-CB 3.29Å; L1987-I1991 WeakPolarHBondContact O-CB 3.44Å; L1987-I1991 WeakPolarHBondContact O-CG1 3.43Å; L1987-I1991 PolarHBondContact O-N 2.69Å; I1991-L1995 HydrophobicContact CG2-CD1 3.98Å; I1991-L1995 WeakPolarHBondContact O-CB 3.31Å; I1991-L1995 WeakPolarHBondContact O-CD1 3.37Å; I1991-L1995 VanDerWaalsContact O-CG 3.3Å; I1991-L1995 WeakPolarHBondContact O-CG 3.25Å
1992	L	89	Confident	87.9	Confident	3 Å²	3	33.7 Å²	33.7	2%	0.016	16%	0.162	C	C	.	.	H	α-helix	trans	-82.5	-35.4	-176.1	-57.1	176.4	0	0	0	113.4	I1941 I1945 Q1988 L1995 H1996 Y2061 V2063 V2158	I1941-L1992 HydrophobicContact CG2-CD2 3.7Å; I1945-L1992 HydrophobicContact CD1-CD2 4.41Å; Q1988-L1992 HydrophobicContact CB-CD1 3.92Å; Q1988-L1992 HydrophobicContact CB-CG 4.42Å; Q1988-L1992 HydrophobicContact CG-CD1 4.02Å; Q1988-L1992 WeakPolarHBondContact O-CA 3.1Å; Q1988-L1992 WeakPolarHBondContact O-CB 3.37Å; Q1988-L1992 VanDerWaalsContact O-CG 3.29Å; Q1988-L1992 WeakPolarHBondContact O-CG 3.42Å; Q1988-L1992 PolarHBondContact O-N 2.93Å; L1992-L1995 PolarHBondContact O-N 3.1Å; L1992-H1996 WeakPolarHBondContact O-CB 3.38Å; L1992-H1996 PolarHBondContact O-N 3.16Å; L1992-Y2061 HydrophobicContact CB-CD2 4.01Å; L1992-V2063 HydrophobicContact CD1-CG2 4.23Å; L1992-V2158 HydrophobicContact CD1-CG1 3.69Å; L1992-V2158 HydrophobicContact CD2-CG1 3.76Å; L1992-V2158 HydrophobicContact CD2-CG2 4.46Å; L1992-V2158 HydrophobicContact CG-CG1 4.4Å
1993	K	89.1	Confident	87.8	Confident	105 Å²	105	32.9 Å²	32.9	46%	0.457	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-51.3	177.8	-168.3	174.3	-173.9	178.7	0	111.8	D140 R1989 L1995 Y2061	D140-K1993 VanDerWaalsContact CG-NZ 3.34Å; D140-K1993 IonicContact OD1-NZ 2.74Å; D140-K1993 PolarHBondContact OD1-NZ 3.03Å; D140-K1993 VanDerWaalsContact OD1-NZ 3.09Å; D140-K1993 IonicContact OD2-NZ 3.95Å; D140-K1993 PolarHBondContact OD2-NZ 3.24Å; R1989-K1993 VanDerWaalsContact O-CB 3.27Å; R1989-K1993 WeakPolarHBondContact O-CB 3.48Å; R1989-K1993 PolarHBondContact O-N 2.79Å; K1993-L1995 PolarHBondContact O-N 2.94Å; K1993-Y2061 HydrophobicContact CB-CD1 3.84Å; K1993-Y2061 HydrophobicContact CB-CD2 4.28Å; K1993-Y2061 HydrophobicContact CB-CE1 3.91Å; K1993-Y2061 HydrophobicContact CB-CE2 4.37Å; K1993-Y2061 HydrophobicContact CB-CG 4.05Å; K1993-Y2061 HydrophobicContact CD-CD1 4.36Å; K1993-Y2061 HydrophobicContact CD-CE1 3.87Å; K1993-Y2061 HydrophobicContact CG-CD1 3.77Å; K1993-Y2061 HydrophobicContact CG-CE1 3.78Å; K1993-Y2061 HydrophobicContact CG-CG 4.45Å
1994	P	87.3	Confident	87.6	Confident	50 Å²	50	35.7 Å²	35.7	33%	0.325	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-7.9	178.7	32.4	-38.4	0	0	0	115.8	L1923 K1927 Y1990	L1923-P1994 HydrophobicContact CD1-CG 3.93Å; L1923-P1994 HydrophobicContact CD2-CB 4.45Å; L1923-P1994 HydrophobicContact CD2-CG 3.67Å; L1923-P1994 HydrophobicContact CG-CG 4.47Å; K1927-P1994 VanDerWaalsContact CE-O 3.27Å; K1927-P1994 WeakPolarHBondContact CE-O 3.27Å; Y1990-P1994 WeakPolarHBondContact O-CD 3.42Å; Y1990-P1994 WeakPolarHBondContact O-CG 3.27Å
1995	L	89.5	Confident	87.3	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.005	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-16.3	178.1	-67.3	-179.4	0	0	0	114.1	F1922 L1923 T1926 K1927 I1941 I1991 L1992 K1993 L1997 H1998 V1999	F1922-L1995 HydrophobicContact CE1-CD1 4.06Å; L1923-L1995 HydrophobicContact CD2-CD1 3.79Å; L1923-L1995 HydrophobicContact CD2-CD2 3.96Å; L1923-L1995 HydrophobicContact CD2-CG 3.57Å; T1926-L1995 HydrophobicContact CG2-CD1 4Å; T1926-L1995 HydrophobicContact CG2-CD2 3.95Å; K1927-L1995 HydrophobicContact CG-CD2 3.86Å; I1941-L1995 HydrophobicContact CD1-CB 4.45Å; I1941-L1995 HydrophobicContact CD1-CD1 3.72Å; I1941-L1995 HydrophobicContact CG1-CD1 3.85Å; I1991-L1995 HydrophobicContact CG2-CD1 3.98Å; I1991-L1995 WeakPolarHBondContact O-CB 3.31Å; I1991-L1995 WeakPolarHBondContact O-CD1 3.37Å; I1991-L1995 VanDerWaalsContact O-CG 3.3Å; I1991-L1995 WeakPolarHBondContact O-CG 3.25Å; L1992-L1995 PolarHBondContact O-N 3.1Å; K1993-L1995 PolarHBondContact O-N 2.94Å; L1995-L1997 PolarHBondContact O-N 3.15Å; L1995-H1998 WeakPolarHBondContact O-CB 3.33Å; L1995-H1998 PolarHBondContact O-N 2.88Å; L1995-H1998 VanDerWaalsContact O-N 3.08Å; L1995-V1999 WeakPolarHBondContact O-CG2 3.49Å; L1995-V1999 PolarHBondContact O-N 3.02Å
1996	H	88.9	Confident	87	Confident	21 Å²	21	39.7 Å²	39.7	10%	0.097	19%	0.186	C	C	.	.	H	α-helix	trans	-56	-52	-173.5	163.8	-106.5	0	0	0	112.5	L1992 H1998 V1999 I2000 A2058 N2059 K2066 Y2154	L1992-H1996 WeakPolarHBondContact O-CB 3.38Å; L1992-H1996 PolarHBondContact O-N 3.16Å; H1996-H1998 VanDerWaalsContact C-N 3.28Å; H1996-H1998 PolarHBondContact O-N 2.9Å; H1996-V1999 PolarHBondContact O-N 3.14Å; H1996-I2000 VanDerWaalsContact NE2-CG1 3.27Å; H1996-I2000 WeakPolarHBondContact NE2-CG1 3.4Å; H1996-I2000 WeakPolarHBondContact O-CG1 3.49Å; H1996-I2000 PolarHBondContact O-N 3.19Å; H1996-A2058 VanDerWaalsContact CE1-C 3.48Å; H1996-A2058 PolarHBondContact CE1-O 3.47Å; H1996-A2058 PolarHBondContact NE2-O 2.79Å; H1996-N2059 WeakPolarHBondContact CE1-CA 3.27Å; H1996-N2059 PolarHBondContact CE1-O 2.83Å; H1996-K2066 PolarHBondContact NE2-NZ 3.2Å; H1996-Y2154 AromaticContact CD2-CE2 3.78Å; H1996-Y2154 AromaticContact CD2-CZ 3.81Å
1997	L	86.7	Confident	86	Confident	103 Å²	103	40.2 Å²	40.2	54%	0.539	19%	0.188	S	C	.	.	H	α-helix	trans	-61	-35.2	177.3	-171	67.9	0	0	0	112.7	L1995 K2001	L1995-L1997 PolarHBondContact O-N 3.15Å; L1997-K2001 HydrophobicContact CG-CD 4.27Å; L1997-K2001 WeakPolarHBondContact O-CB 3.48Å; L1997-K2001 VanDerWaalsContact O-CG 3.28Å; L1997-K2001 WeakPolarHBondContact O-CG 3.38Å; L1997-K2001 PolarHBondContact O-N 3.03Å
1998	H	88.5	Confident	85	Confident	46 Å²	46	44 Å²	44	21%	0.213	21%	0.206	C	C	.	.	H	α-helix	trans	-69.5	-43.6	177.4	-179.2	90.8	0	0	0	111.7	K1927 L1995 H1996 K2001 Q2002	K1927-H1998 PolarHBondContact O-CE1 2.83Å; L1995-H1998 WeakPolarHBondContact O-CB 3.33Å; L1995-H1998 PolarHBondContact O-N 2.88Å; L1995-H1998 VanDerWaalsContact O-N 3.08Å; H1996-H1998 VanDerWaalsContact C-N 3.28Å; H1996-H1998 PolarHBondContact O-N 2.9Å; H1998-K2001 PolarHBondContact O-N 3.27Å; H1998-Q2002 PolarHBondContact NE2-NE2 3.36Å; H1998-Q2002 WeakPolarHBondContact O-CG 3.44Å; H1998-Q2002 PolarHBondContact O-N 3.06Å
1999	V	88.7	Confident	84.1	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.012	22%	0.221	C	C	.	.	H	α-helix	trans	-66.5	-41.9	176.9	174.4	0	0	0	0	111.3	T1937 M1938 I1941 L1995 H1996 Q2002 L2003 Y2154	T1937-V1999 HydrophobicContact CG2-CG2 4.37Å; M1938-V1999 HydrophobicContact CG-CG1 3.47Å; M1938-V1999 VanDerWaalsContact CG-CG1 3.47Å; M1938-V1999 HydrophobicContact CG-CG2 4.45Å; M1938-V1999 HydrophobicContact SD-CG1 3.48Å; M1938-V1999 WeakPolarHBondContact SD-CG1 3.47Å; I1941-V1999 HydrophobicContact CD1-CG2 3.76Å; L1995-V1999 WeakPolarHBondContact O-CG2 3.49Å; L1995-V1999 PolarHBondContact O-N 3.02Å; H1996-V1999 PolarHBondContact O-N 3.14Å; V1999-Q2002 PolarHBondContact O-N 3.29Å; V1999-L2003 HydrophobicContact CG1-CD1 4.15Å; V1999-L2003 WeakPolarHBondContact O-CG 3.5Å; V1999-L2003 PolarHBondContact O-N 3.32Å; V1999-Y2154 HydrophobicContact CB-CD2 4.39Å; V1999-Y2154 HydrophobicContact CB-CE2 4.21Å; V1999-Y2154 HydrophobicContact CG1-CD2 3.72Å; V1999-Y2154 HydrophobicContact CG1-CE2 3.93Å
2000	I	87.4	Confident	83	Confident	13 Å²	13	46.9 Å²	46.9	7%	0.067	22%	0.221	C	C	.	.	H	α-helix	trans	-61.3	-48.4	174.3	-65.8	-63	0	0	0	110.3	H1996 Q2002 L2003 E2004 Y2154	H1996-I2000 VanDerWaalsContact NE2-CG1 3.27Å; H1996-I2000 WeakPolarHBondContact NE2-CG1 3.4Å; H1996-I2000 WeakPolarHBondContact O-CG1 3.49Å; H1996-I2000 PolarHBondContact O-N 3.19Å; I2000-Q2002 VanDerWaalsContact C-N 3.31Å; I2000-Q2002 PolarHBondContact O-N 3.06Å; I2000-L2003 CarbonylContact O-C 3.55Å; I2000-L2003 WeakPolarHBondContact O-CA 3.41Å; I2000-L2003 WeakPolarHBondContact O-CB 3.02Å; I2000-L2003 PolarHBondContact O-N 2.96Å; I2000-E2004 HydrophobicContact CG2-CG 4.21Å; I2000-E2004 WeakPolarHBondContact O-CG 3.24Å; I2000-E2004 PolarHBondContact O-N 2.84Å; I2000-Y2154 HydrophobicContact CD1-CD2 3.92Å; I2000-Y2154 HydrophobicContact CD1-CG 4.22Å; I2000-Y2154 HydrophobicContact CG1-CD2 4.48Å
2001	K	86.5	Confident	81.3	Confident	105 Å²	105	44.4 Å²	44.4	46%	0.457	21%	0.213	S	C	.	.	H	α-helix	trans	-58.6	-37.5	175.5	-75.2	174.5	178.3	179.9	0	113	L1997 H1998 Q2005	L1997-K2001 HydrophobicContact CG-CD 4.27Å; L1997-K2001 WeakPolarHBondContact O-CB 3.48Å; L1997-K2001 VanDerWaalsContact O-CG 3.28Å; L1997-K2001 WeakPolarHBondContact O-CG 3.38Å; L1997-K2001 PolarHBondContact O-N 3.03Å; H1998-K2001 PolarHBondContact O-N 3.27Å; K2001-Q2005 WeakPolarHBondContact O-CB 3.38Å; K2001-Q2005 VanDerWaalsContact O-CG 3.25Å; K2001-Q2005 WeakPolarHBondContact O-CG 3.33Å; K2001-Q2005 PolarHBondContact O-N 2.92Å
2002	Q	85.1	Confident	79.5	Confident	8 Å²	8	46 Å²	46	4%	0.037	22%	0.222	C	C	.	.	H	α-helix	trans	-67.3	-37.9	172.8	-73.1	-165.4	3.2	0	0	112.7	P1934 T1937 H1998 V1999 I2000 E2006	P1934-Q2002 HydrophobicContact CB-CB 3.79Å; P1934-Q2002 HydrophobicContact CG-CB 4.3Å; T1937-Q2002 PolarHBondContact OG1-OE1 2.91Å; H1998-Q2002 PolarHBondContact NE2-NE2 3.36Å; H1998-Q2002 WeakPolarHBondContact O-CG 3.44Å; H1998-Q2002 PolarHBondContact O-N 3.06Å; V1999-Q2002 PolarHBondContact O-N 3.29Å; I2000-Q2002 VanDerWaalsContact C-N 3.31Å; I2000-Q2002 PolarHBondContact O-N 3.06Å; Q2002-E2006 PolarHBondContact O-N 3.38Å
2003	L	84.7	Confident	77.9	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-68.4	-40.2	175.2	-75.6	168.5	0	0	0	112.1	P1934 M1938 V1999 I2000 E2006 Q2007 L2150 D2153	P1934-L2003 HydrophobicContact CB-CD2 3.65Å; P1934-L2003 HydrophobicContact CB-CG 3.75Å; P1934-L2003 HydrophobicContact CG-CD2 3.81Å; P1934-L2003 HydrophobicContact CG-CG 4.26Å; M1938-L2003 HydrophobicContact CE-CD1 4.21Å; M1938-L2003 HydrophobicContact CE-CD2 3.92Å; M1938-L2003 HydrophobicContact CE-CG 4.37Å; M1938-L2003 HydrophobicContact SD-CD1 4.17Å; V1999-L2003 HydrophobicContact CG1-CD1 4.15Å; V1999-L2003 WeakPolarHBondContact O-CG 3.5Å; V1999-L2003 PolarHBondContact O-N 3.32Å; I2000-L2003 CarbonylContact O-C 3.55Å; I2000-L2003 WeakPolarHBondContact O-CA 3.41Å; I2000-L2003 WeakPolarHBondContact O-CB 3.02Å; I2000-L2003 PolarHBondContact O-N 2.96Å; L2003-E2006 PolarHBondContact O-N 2.94Å; L2003-Q2007 PolarHBondContact O-N 2.86Å; L2003-L2150 VanDerWaalsContact C-CD2 3.48Å; L2003-L2150 HydrophobicContact CB-CD2 3.72Å; L2003-L2150 WeakPolarHBondContact O-CD2 3.4Å; L2003-D2153 HydrophobicContact CD1-CB 4.24Å; L2003-D2153 HydrophobicContact CD2-CB 3.76Å
2004	E	83.6	Confident	76.2	Confident	59 Å²	59	43.3 Å²	43.3	28%	0.276	22%	0.222	S	C	.	.	H	α-helix	trans	-60.7	-47.6	173	-71.3	174.1	160.8	0	0	111.3	I2000 Q2007 M2008 I2145 L2150	I2000-E2004 HydrophobicContact CG2-CG 4.21Å; I2000-E2004 WeakPolarHBondContact O-CG 3.24Å; I2000-E2004 PolarHBondContact O-N 2.84Å; E2004-Q2007 PolarHBondContact O-N 3.05Å; E2004-M2008 HydrophobicContact CB-CE 4.45Å; E2004-M2008 WeakPolarHBondContact O-CB 3.39Å; E2004-M2008 WeakPolarHBondContact O-CG 3.44Å; E2004-M2008 PolarHBondContact O-N 3.36Å; E2004-I2145 HydrophobicContact CB-CD1 4.12Å; E2004-I2145 HydrophobicContact CG-CD1 3.87Å; E2004-L2150 HydrophobicContact CG-CD1 3.58Å; E2004-L2150 HydrophobicContact CG-CD2 4.32Å
2005	Q	81	Confident	74.5	Confident	101 Å²	101	45.2 Å²	45.2	47%	0.472	23%	0.23	S	C	.	.	H	α-helix	trans	-62.6	-41.3	175.7	-75.2	175.8	10.4	0	0	112.1	K2001 M2008 K2009	K2001-Q2005 WeakPolarHBondContact O-CB 3.38Å; K2001-Q2005 VanDerWaalsContact O-CG 3.25Å; K2001-Q2005 WeakPolarHBondContact O-CG 3.33Å; K2001-Q2005 PolarHBondContact O-N 2.92Å; Q2005-M2008 PolarHBondContact O-N 3.42Å; Q2005-K2009 VanDerWaalsContact O-CG 3.3Å; Q2005-K2009 WeakPolarHBondContact O-CG 3.24Å; Q2005-K2009 PolarHBondContact O-N 3.13Å
2006	E	75.6	Confident	72.8	Confident	42 Å²	42	45.6 Å²	45.6	20%	0.196	23%	0.231	C	C	.	.	H	α-helix	trans	-61.7	-53.5	172.4	-85.4	-53	118.1	0	0	110.8	P1934 Q2002 L2003 M2008 K2009 N2010	P1934-E2006 HydrophobicContact CG-CB 3.98Å; P1934-E2006 HydrophobicContact CG-CG 3.41Å; P1934-E2006 VanDerWaalsContact CG-CG 3.41Å; Q2002-E2006 PolarHBondContact O-N 3.38Å; L2003-E2006 PolarHBondContact O-N 2.94Å; E2006-M2008 VanDerWaalsContact C-N 3.27Å; E2006-M2008 PolarHBondContact O-N 2.98Å; E2006-K2009 WeakPolarHBondContact O-CB 3.35Å; E2006-K2009 PolarHBondContact O-N 2.96Å; E2006-K2009 VanDerWaalsContact O-N 3.13Å; E2006-K2009 WeakPolarHBondContact OE1-CD 3.43Å; E2006-K2009 IonicContact OE1-NZ 2.77Å; E2006-K2009 PolarHBondContact OE1-NZ 2.99Å; E2006-N2010 WeakPolarHBondContact O-CB 3.27Å; E2006-N2010 PolarHBondContact O-N 3.28Å; E2006-N2010 PolarHBondContact O-ND2 2.99Å; E2006-N2010 PolarHBondContact OE2-ND2 3.16Å
2007	Q	68.8	Low	71.2	Confident	21 Å²	21	46.8 Å²	46.8	10%	0.098	24%	0.237	C	C	.	.	H	α-helix	trans	-58.2	-36.9	178.7	-71.8	-159.8	11.3	0	0	111.9	L2003 E2004 N2010 T2011 L2150 D2153	L2003-Q2007 PolarHBondContact O-N 2.86Å; E2004-Q2007 PolarHBondContact O-N 3.05Å; Q2007-N2010 CarbonylContact O-C 3.28Å; Q2007-N2010 WeakPolarHBondContact O-CA 3.38Å; Q2007-N2010 PolarHBondContact O-N 3.15Å; Q2007-T2011 WeakPolarHBondContact O-CB 3.26Å; Q2007-T2011 PolarHBondContact O-N 3.21Å; Q2007-T2011 PolarHBondContact O-OG1 3Å; Q2007-L2150 HydrophobicContact CB-CD2 4.26Å; Q2007-L2150 VanDerWaalsContact CD-CD2 3.49Å; Q2007-L2150 HydrophobicContact CG-CD2 3.8Å; Q2007-D2153 PolarHBondContact NE2-OD2 2.93Å
2008	M	68.6	Low	69.6	Low	78 Å²	78	48 Å²	48	38%	0.384	24%	0.242	S	C	.	.	H	α-helix	trans	-64.2	-44.1	174	-77.4	-163.1	-106.2	0	0	113.5	E2004 Q2005 E2006 N2010 L2118 S2143	E2004-M2008 HydrophobicContact CB-CE 4.45Å; E2004-M2008 WeakPolarHBondContact O-CB 3.39Å; E2004-M2008 WeakPolarHBondContact O-CG 3.44Å; E2004-M2008 PolarHBondContact O-N 3.36Å; Q2005-M2008 PolarHBondContact O-N 3.42Å; E2006-M2008 VanDerWaalsContact C-N 3.27Å; E2006-M2008 PolarHBondContact O-N 2.98Å; M2008-N2010 PolarHBondContact O-N 2.9Å; M2008-L2118 HydrophobicContact CE-CD1 3.69Å; M2008-L2118 HydrophobicContact CG-CD1 4.04Å; M2008-L2118 HydrophobicContact SD-CD1 3.38Å; M2008-L2118 WeakPolarHBondContact SD-CD1 3.42Å; M2008-S2143 PolarHBondContact SD-OG 2.8Å
2009	K	69.7	Low	68.1	Low	117 Å²	117	48.2 Å²	48.2	51%	0.509	24%	0.242	S	C	.	.	H	α-helix	trans	-60.2	-34.7	169.6	-63.5	165.7	-155.7	170.7	0	111	S920 Q2005 E2006	S920-K2009 WeakPolarHBondContact CB-O 3.3Å; S920-K2009 PolarHBondContact OG-O 2.76Å; Q2005-K2009 VanDerWaalsContact O-CG 3.3Å; Q2005-K2009 WeakPolarHBondContact O-CG 3.24Å; Q2005-K2009 PolarHBondContact O-N 3.13Å; E2006-K2009 WeakPolarHBondContact O-CB 3.35Å; E2006-K2009 PolarHBondContact O-N 2.96Å; E2006-K2009 VanDerWaalsContact O-N 3.13Å; E2006-K2009 WeakPolarHBondContact OE1-CD 3.43Å; E2006-K2009 IonicContact OE1-NZ 2.77Å; E2006-K2009 PolarHBondContact OE1-NZ 2.99Å
2010	N	62.5	Low	66.8	Low	36 Å²	36	48.5 Å²	48.5	19%	0.193	24%	0.243	C	C	.	.	H	α-helix	trans	-84.9	-29	-165.8	-94.4	-70.2	0	0	0	115.2	S920 L921 E2006 Q2007 M2008 D2012	S920-N2010 CarbonylContact C-O 3.58Å; S920-N2010 WeakPolarHBondContact CB-O 3.23Å; L921-N2010 WeakPolarHBondContact CB-O 3.48Å; L921-N2010 HydrophobicContact CD1-CB 4.1Å; L921-N2010 WeakPolarHBondContact CD1-O 3.29Å; L921-N2010 HydrophobicContact CD2-CB 3.92Å; L921-N2010 HydrophobicContact CG-CB 3.59Å; L921-N2010 WeakPolarHBondContact CG-O 3.3Å; L921-N2010 PolarHBondContact N-O 3.02Å; L921-N2010 PolarHBondContact N-OD1 3Å; E2006-N2010 WeakPolarHBondContact O-CB 3.27Å; E2006-N2010 PolarHBondContact O-N 3.28Å; E2006-N2010 PolarHBondContact O-ND2 2.99Å; E2006-N2010 PolarHBondContact OE2-ND2 3.16Å; Q2007-N2010 CarbonylContact O-C 3.28Å; Q2007-N2010 WeakPolarHBondContact O-CA 3.38Å; Q2007-N2010 PolarHBondContact O-N 3.15Å; M2008-N2010 PolarHBondContact O-N 2.9Å; N2010-D2012 PolarHBondContact O-N 3.26Å
2011	T	56	Low	65.5	Low	20 Å²	20	55.4 Å²	55.4	12%	0.123	27%	0.269	C	S	.	.			trans	-106	96.4	-150.9	-52.2	0	0	0	0	114.8	L921 Q2007 L2013	L921-T2011 HydrophobicContact CD1-CG2 4.13Å; Q2007-T2011 WeakPolarHBondContact O-CB 3.26Å; Q2007-T2011 PolarHBondContact O-N 3.21Å; Q2007-T2011 PolarHBondContact O-OG1 3Å; T2011-L2013 HydrophobicContact CG2-CB 3.88Å; T2011-L2013 HydrophobicContact CG2-CD1 3.21Å; T2011-L2013 HydrophobicContact CG2-CD2 3.32Å; T2011-L2013 HydrophobicContact CG2-CG 3.58Å; T2011-L2013 PolarHBondContact O-N 2.73Å; T2011-L2013 VanDerWaalsContact O-N 3.12Å
2012	D	53	Low	64.3	Low	35 Å²	35	55.2 Å²	55.2	19%	0.187	27%	0.268	C	S	.	.			trans	-74.9	98.8	165.6	-163.9	-64.9	0	0	0	110.8	N918 F919 N2010	N918-D2012 WeakPolarHBondContact CA-OD2 3.31Å; N918-D2012 HydrophobicContact CB-CB 3.61Å; N918-D2012 VanDerWaalsContact CB-OD2 3.3Å; N918-D2012 WeakPolarHBondContact CB-OD2 3.01Å; N918-D2012 VanDerWaalsContact ND2-CB 3.26Å; N918-D2012 WeakPolarHBondContact ND2-CB 3.35Å; N918-D2012 PolarHBondContact ND2-OD1 3.08Å; N918-D2012 PolarHBondContact ND2-OD2 3.33Å; N918-D2012 PolarHBondContact OD1-OD2 3.44Å; N918-D2012 VanDerWaalsContact OD1-OD2 3.06Å; F919-D2012 HydrophobicContact CB-CB 3.98Å; F919-D2012 HydrophobicContact CD1-CB 3.45Å; F919-D2012 VanDerWaalsContact CD1-CB 3.45Å; F919-D2012 HydrophobicContact CD2-CB 4.33Å; F919-D2012 WeakPolarHBondContact CD2-OD2 3.44Å; F919-D2012 HydrophobicContact CE1-CB 3.82Å; F919-D2012 VanDerWaalsContact CE2-OD2 3.3Å; F919-D2012 WeakPolarHBondContact CE2-OD2 2.96Å; F919-D2012 HydrophobicContact CG-CB 3.71Å; F919-D2012 HydrophobicContact CZ-CB 4.37Å; N2010-D2012 PolarHBondContact O-N 3.26Å
2013	L	55.5	Low	63	Low	11 Å²	11	55.6 Å²	55.6	6%	0.058	27%	0.27	C	S	.	.			trans	-118.6	5.1	-165.6	-126.9	44.6	0	0	0	115	T2011 N2015 L2016 Q2017 L2115 I2144	T2011-L2013 HydrophobicContact CG2-CB 3.88Å; T2011-L2013 HydrophobicContact CG2-CD1 3.21Å; T2011-L2013 HydrophobicContact CG2-CD2 3.32Å; T2011-L2013 HydrophobicContact CG2-CG 3.58Å; T2011-L2013 PolarHBondContact O-N 2.73Å; T2011-L2013 VanDerWaalsContact O-N 3.12Å; L2013-N2015 VanDerWaalsContact C-N 3.31Å; L2013-N2015 PolarHBondContact O-N 2.84Å; L2013-L2016 HydrophobicContact CD1-CB 3.63Å; L2013-L2016 HydrophobicContact CD1-CD2 3.37Å; L2013-L2016 HydrophobicContact CD1-CG 4.11Å; L2013-L2016 HydrophobicContact CD2-CD2 4.32Å; L2013-L2016 HydrophobicContact CG-CB 3.85Å; L2013-L2016 HydrophobicContact CG-CD2 3.87Å; L2013-L2016 HydrophobicContact CG-CG 4.38Å; L2013-L2016 CarbonylContact O-C 3.09Å; L2013-L2016 PolarHBondContact O-N 3.2Å; L2013-Q2017 WeakPolarHBondContact O-CB 3.2Å; L2013-Q2017 PolarHBondContact O-N 3.44Å; L2013-L2115 HydrophobicContact CD2-CD2 3.33Å; L2013-L2115 HydrophobicContact CG-CD2 3.93Å; L2013-I2144 HydrophobicContact CB-CB 4.42Å; L2013-I2144 HydrophobicContact CB-CD1 4.29Å; L2013-I2144 HydrophobicContact CD2-CB 3.7Å; L2013-I2144 HydrophobicContact CD2-CG2 3.88Å; L2013-I2144 WeakPolarHBondContact CD2-O 3.14Å
2014	G	53.3	Low	61.9	Low	40 Å²	40	58 Å²	58	41%	0.412	29%	0.287	S	S	.	.	H	α-helix	trans	-56.3	-45.3	177.6	0	0	0	0	0	112.4	L2016 Q2017 M2018	G2014-L2016 VanDerWaalsContact C-N 3.3Å; G2014-L2016 PolarHBondContact O-N 3.15Å; G2014-Q2017 PolarHBondContact O-N 3.38Å; G2014-M2018 WeakPolarHBondContact O-CB 3.33Å; G2014-M2018 VanDerWaalsContact O-CG 3.31Å; G2014-M2018 WeakPolarHBondContact O-CG 3.41Å; G2014-M2018 PolarHBondContact O-N 3.22Å; G2014-M2018 VanDerWaalsContact O-N 3.07Å
2015	N	50.8	Low	60.9	Low	90 Å²	90	59.2 Å²	59.2	48%	0.481	30%	0.295	S	S	.	.	H	α-helix	trans	-65.5	-27.8	176	-79.7	-78.8	0	0	0	113.9	L2013	L2013-N2015 VanDerWaalsContact C-N 3.31Å; L2013-N2015 PolarHBondContact O-N 2.84Å
2016	L	54.1	Low	59.8	Low	8 Å²	8	59.3 Å²	59.3	4%	0.042	30%	0.304	C	S	.	.	H	α-helix	trans	-86.9	-39.4	178.9	-170.2	69.7	0	0	0	111.2	L2013 G2014 M2018 K2019 V2020 L2115 Y2179 W2182	L2013-L2016 HydrophobicContact CD1-CB 3.63Å; L2013-L2016 HydrophobicContact CD1-CD2 3.37Å; L2013-L2016 HydrophobicContact CD1-CG 4.11Å; L2013-L2016 HydrophobicContact CD2-CD2 4.32Å; L2013-L2016 HydrophobicContact CG-CB 3.85Å; L2013-L2016 HydrophobicContact CG-CD2 3.87Å; L2013-L2016 HydrophobicContact CG-CG 4.38Å; L2013-L2016 CarbonylContact O-C 3.09Å; L2013-L2016 PolarHBondContact O-N 3.2Å; G2014-L2016 VanDerWaalsContact C-N 3.3Å; G2014-L2016 PolarHBondContact O-N 3.15Å; L2016-M2018 VanDerWaalsContact C-N 3.3Å; L2016-M2018 PolarHBondContact O-N 2.72Å; L2016-K2019 PolarHBondContact O-N 3.35Å; L2016-K2019 VanDerWaalsContact O-N 3.08Å; L2016-V2020 HydrophobicContact CD1-CG2 4.46Å; L2016-V2020 HydrophobicContact CG-CG2 4.23Å; L2016-V2020 WeakPolarHBondContact O-CB 3.46Å; L2016-V2020 WeakPolarHBondContact O-CG2 3.35Å; L2016-V2020 PolarHBondContact O-N 3.24Å; L2016-L2115 HydrophobicContact CD2-CD2 3.66Å; L2016-L2115 HydrophobicContact CD2-CG 4.49Å; L2016-L2115 HydrophobicContact CG-CD1 4.41Å; L2016-L2115 HydrophobicContact CG-CD2 4.19Å; L2016-Y2179 HydrophobicContact CD2-CD2 4.24Å; L2016-Y2179 HydrophobicContact CD2-CE2 3.52Å; L2016-W2182 HydrophobicContact CD1-CG 3.99Å
2017	Q	56.2	Low	59	Low	47 Å²	47	65.5 Å²	65.5	22%	0.22	33%	0.333	C	S	.	.	H	α-helix	trans	-57	-43.7	172.8	-168.2	-173.3	49.5	0	0	111.1	L2013 G2014 K2019 V2020 R2021 L2115 I2144	L2013-Q2017 WeakPolarHBondContact O-CB 3.2Å; L2013-Q2017 PolarHBondContact O-N 3.44Å; G2014-Q2017 PolarHBondContact O-N 3.38Å; Q2017-K2019 VanDerWaalsContact C-N 3.33Å; Q2017-K2019 PolarHBondContact O-N 3.32Å; Q2017-V2020 PolarHBondContact O-N 2.65Å; Q2017-R2021 HydrophobicContact CG-CG 4.47Å; Q2017-R2021 WeakPolarHBondContact O-CB 3.37Å; Q2017-R2021 WeakPolarHBondContact O-CG 3.09Å; Q2017-R2021 PolarHBondContact O-N 2.97Å; Q2017-L2115 HydrophobicContact CB-CD1 4.28Å; Q2017-I2144 HydrophobicContact CB-CD1 3.58Å; Q2017-I2144 VanDerWaalsContact CD-CD1 3.43Å; Q2017-I2144 HydrophobicContact CG-CD1 3.58Å; Q2017-I2144 VanDerWaalsContact NE2-CD1 3.29Å
2018	M	52.8	Low	58.7	Low	129 Å²	129	66.3 Å²	66.3	64%	0.635	34%	0.338	S	S	*	.	H	α-helix	trans	-56.9	-44	173.4	-78.3	-78.8	-81.3	0	0	112.5	G2014 L2016 K2022	G2014-M2018 WeakPolarHBondContact O-CB 3.33Å; G2014-M2018 VanDerWaalsContact O-CG 3.31Å; G2014-M2018 WeakPolarHBondContact O-CG 3.41Å; G2014-M2018 PolarHBondContact O-N 3.22Å; G2014-M2018 VanDerWaalsContact O-N 3.07Å; L2016-M2018 VanDerWaalsContact C-N 3.3Å; L2016-M2018 PolarHBondContact O-N 2.72Å; M2018-K2022 PolarHBondContact O-N 2.8Å
2019	K	56.5	Low	58.1	Low	49 Å²	49	71.5 Å²	71.5	21%	0.213	35%	0.353	C	S	.	.	H	α-helix	trans	-73.5	-38.2	178.9	-72.8	177.7	159	-172.5	0	113.2	L2016 Q2017 L2023 W2182 D2184	L2016-K2019 PolarHBondContact O-N 3.35Å; L2016-K2019 VanDerWaalsContact O-N 3.08Å; Q2017-K2019 VanDerWaalsContact C-N 3.33Å; Q2017-K2019 PolarHBondContact O-N 3.32Å; K2019-L2023 PolarHBondContact O-N 2.95Å; K2019-W2182 PolarHBondContact NZ-O 3.34Å; K2019-D2184 PolarHBondContact NZ-O 2.97Å
2020	V	61.5	Low	57.7	Low	8 Å²	8	66.2 Å²	66.2	5%	0.048	33%	0.332	C	S	.	.	H	α-helix	trans	-75.7	-35.8	-179.3	174.5	0	0	0	0	111.8	L2016 Q2017 L2023 C2024 A2109 L2115 W2182	L2016-V2020 HydrophobicContact CD1-CG2 4.46Å; L2016-V2020 HydrophobicContact CG-CG2 4.23Å; L2016-V2020 WeakPolarHBondContact O-CB 3.46Å; L2016-V2020 WeakPolarHBondContact O-CG2 3.35Å; L2016-V2020 PolarHBondContact O-N 3.24Å; Q2017-V2020 PolarHBondContact O-N 2.65Å; V2020-L2023 CarbonylContact O-C 3.52Å; V2020-L2023 PolarHBondContact O-N 2.91Å; V2020-L2023 VanDerWaalsContact O-N 3.17Å; V2020-C2024 PolarHBondContact O-N 2.81Å; V2020-C2024 PolarHBondContact O-SG 3.11Å; V2020-A2109 HydrophobicContact CG1-CB 4.45Å; V2020-L2115 HydrophobicContact CB-CD1 3.48Å; V2020-L2115 VanDerWaalsContact CB-CD1 3.48Å; V2020-L2115 HydrophobicContact CB-CG 4.07Å; V2020-L2115 HydrophobicContact CG1-CB 4.13Å; V2020-L2115 HydrophobicContact CG1-CD1 3.79Å; V2020-L2115 HydrophobicContact CG1-CG 3.99Å; V2020-L2115 HydrophobicContact CG2-CD1 3.68Å; V2020-L2115 HydrophobicContact CG2-CG 3.91Å; V2020-W2182 HydrophobicContact CB-CZ2 4.17Å; V2020-W2182 HydrophobicContact CG2-CD2 4.48Å; V2020-W2182 HydrophobicContact CG2-CH2 4.41Å; V2020-W2182 HydrophobicContact CG2-CZ2 3.5Å; V2020-W2182 VanDerWaalsContact CG2-CZ2 3.5Å
2021	R	60.4	Low	57.6	Low	158 Å²	158	68.3 Å²	68.3	60%	0.596	35%	0.349	S	S	*	.	H	α-helix	trans	-55.2	-54.4	168.5	-82.1	-178.4	168.1	165	-3.5	111.1	Q2017 L2023 C2024 D2025	Q2017-R2021 HydrophobicContact CG-CG 4.47Å; Q2017-R2021 WeakPolarHBondContact O-CB 3.37Å; Q2017-R2021 WeakPolarHBondContact O-CG 3.09Å; Q2017-R2021 PolarHBondContact O-N 2.97Å; R2021-L2023 PolarHBondContact O-N 3.26Å; R2021-L2023 VanDerWaalsContact O-N 3.11Å; R2021-C2024 PolarHBondContact O-N 2.76Å; R2021-D2025 PolarHBondContact O-N 3.45Å; R2021-D2025 VanDerWaalsContact O-N 3.14Å
2022	K	60.6	Low	57.9	Low	101 Å²	101	70.8 Å²	70.8	44%	0.439	36%	0.362	S	S	.	.	H	α-helix	trans	-48.4	-43.2	175.1	-75.7	-167.6	177.3	-158.2	0	112.5	M2018 D2025 I2028 Y2189	M2018-K2022 PolarHBondContact O-N 2.8Å; K2022-D2025 VanDerWaalsContact CA-OD2 3.31Å; K2022-D2025 WeakPolarHBondContact CA-OD2 3.33Å; K2022-D2025 WeakPolarHBondContact O-CB 3.4Å; K2022-D2025 PolarHBondContact O-N 2.94Å; K2022-I2028 HydrophobicContact CB-CD1 4.19Å; K2022-I2028 WeakPolarHBondContact O-CD1 3.21Å; K2022-I2028 WeakPolarHBondContact O-CG1 3.45Å; K2022-Y2189 PolarHBondContact NZ-OH 2.79Å
2023	L	58	Low	58.3	Low	16 Å²	16	69.3 Å²	69.3	8%	0.084	35%	0.354	C	S	.	.	H	α-helix	trans	-90.9	-1.9	-175.4	-71.7	165.3	0	0	0	115.3	K2019 V2020 R2021 I2028 L2033 W2182	K2019-L2023 PolarHBondContact O-N 2.95Å; V2020-L2023 CarbonylContact O-C 3.52Å; V2020-L2023 PolarHBondContact O-N 2.91Å; V2020-L2023 VanDerWaalsContact O-N 3.17Å; R2021-L2023 PolarHBondContact O-N 3.26Å; R2021-L2023 VanDerWaalsContact O-N 3.11Å; L2023-I2028 HydrophobicContact CD2-CD1 3.93Å; L2023-I2028 HydrophobicContact CD2-CG2 3.79Å; L2023-I2028 HydrophobicContact CG-CD1 4.39Å; L2023-L2033 HydrophobicContact CD1-CD2 3.95Å; L2023-L2033 HydrophobicContact CD2-CD1 3.86Å; L2023-L2033 HydrophobicContact CD2-CD2 3.6Å; L2023-L2033 HydrophobicContact CD2-CG 3.45Å; L2023-L2033 VanDerWaalsContact CD2-CG 3.45Å; L2023-L2033 HydrophobicContact CG-CD2 4.45Å; L2023-W2182 HydrophobicContact CB-CH2 3.48Å; L2023-W2182 VanDerWaalsContact CB-CH2 3.48Å; L2023-W2182 HydrophobicContact CB-CZ2 3.69Å; L2023-W2182 HydrophobicContact CD1-CH2 3.33Å; L2023-W2182 HydrophobicContact CD1-CZ2 3.3Å; L2023-W2182 HydrophobicContact CD1-CZ3 4.08Å; L2023-W2182 HydrophobicContact CG-CH2 3.98Å; L2023-W2182 HydrophobicContact CG-CZ2 4.05Å
2024	C	60.5	Low	58.6	Low	52 Å²	52	70.6 Å²	70.6	35%	0.351	37%	0.37	S	S	.	.	H	α-helix	trans	-86.3	-22.5	160.3	-68.9	0	0	0	0	112.1	V2020 R2021 A2109 R2110	V2020-C2024 PolarHBondContact O-N 2.81Å; V2020-C2024 PolarHBondContact O-SG 3.11Å; R2021-C2024 PolarHBondContact O-N 2.76Å; C2024-A2109 PolarHBondContact SG-O 3.4Å; C2024-R2110 PolarHBondContact O-NH1 3.34Å
2025	D	63.8	Low	59.2	Low	84 Å²	84	68.9 Å²	68.9	45%	0.449	35%	0.351	S	S	.	.	S	Bend	trans	-58.9	132.3	177.8	-61.1	-35.8	0	0	0	110.2	R2021 K2022 E2027	R2021-D2025 PolarHBondContact O-N 3.45Å; R2021-D2025 VanDerWaalsContact O-N 3.14Å; K2022-D2025 VanDerWaalsContact CA-OD2 3.31Å; K2022-D2025 WeakPolarHBondContact CA-OD2 3.33Å; K2022-D2025 WeakPolarHBondContact O-CB 3.4Å; K2022-D2025 PolarHBondContact O-N 2.94Å; D2025-E2027 PolarHBondContact O-N 3.29Å
2026	P	57.6	Low	59.4	Low	104 Å²	104	72.9 Å²	72.9	68%	0.675	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-11.1	-173.8	30.5	-36	0	0	0	113.8
2027	E	58	Low	59.7	Low	172 Å²	172	73.1 Å²	73.1	80%	0.804	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-15.2	-176.4	-60.9	-174.5	170.3	0	0	113.6	D2025 R2029	D2025-E2027 PolarHBondContact O-N 3.29Å; E2027-R2029 PolarHBondContact O-N 3.35Å
2028	I	62.7	Low	59.8	Low	38 Å²	38	74.5 Å²	74.5	20%	0.195	38%	0.383	C	S	.	.			trans	-67.1	127.5	179.5	-69.6	-152.8	0	0	0	111.1	K2022 L2023 D2032 W2106	K2022-I2028 HydrophobicContact CB-CD1 4.19Å; K2022-I2028 WeakPolarHBondContact O-CD1 3.21Å; K2022-I2028 WeakPolarHBondContact O-CG1 3.45Å; L2023-I2028 HydrophobicContact CD2-CD1 3.93Å; L2023-I2028 HydrophobicContact CD2-CG2 3.79Å; L2023-I2028 HydrophobicContact CG-CD1 4.39Å; I2028-D2032 HydrophobicContact CG2-CB 4.08Å; I2028-W2106 WeakPolarHBondContact O-CZ2 3.12Å
2029	R	57.3	Low	60.4	Low	186 Å²	186	69.4 Å²	69.4	70%	0.702	36%	0.358	S	S	*	.			trans	-89.6	154.8	177.2	-59.3	178.7	174.1	-169.9	-3.6	109.7	E2027 S2031 D2032 L2033	E2027-R2029 PolarHBondContact O-N 3.35Å; R2029-S2031 PolarHBondContact O-N 3.28Å; R2029-S2031 VanDerWaalsContact O-N 3.1Å; R2029-D2032 WeakPolarHBondContact CB-OD2 3.06Å; R2029-D2032 PolarHBondContact N-OD2 3Å; R2029-D2032 PolarHBondContact O-N 3.4Å; R2029-L2033 PolarHBondContact O-N 3.41Å
2030	A	61	Low	61	Low	7 Å²	7	69.1 Å²	69.1	6%	0.058	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-54.6	-32.5	176.7	0	0	0	0	0	112.6	D2032 L2033 I2035 I2039 W2106	A2030-D2032 VanDerWaalsContact C-N 3.35Å; A2030-D2032 PolarHBondContact O-N 3.01Å; A2030-L2033 WeakPolarHBondContact O-CA 3.26Å; A2030-L2033 VanDerWaalsContact O-CB 3.24Å; A2030-L2033 WeakPolarHBondContact O-CB 3.47Å; A2030-L2033 PolarHBondContact O-N 3.5Å; A2030-L2033 VanDerWaalsContact O-N 3.14Å; A2030-I2035 HydrophobicContact CB-CB 4.09Å; A2030-I2035 HydrophobicContact CB-CD1 4.12Å; A2030-I2035 HydrophobicContact CB-CG2 4.36Å; A2030-I2035 VanDerWaalsContact O-CB 3.3Å; A2030-I2035 WeakPolarHBondContact O-CB 3.39Å; A2030-I2035 PolarHBondContact O-N 2.82Å; A2030-I2035 VanDerWaalsContact O-N 3.08Å; A2030-I2039 WeakPolarHBondContact CB-O 3.44Å; A2030-W2106 HydrophobicContact CB-CH2 4.38Å; A2030-W2106 HydrophobicContact CB-CZ3 4.17Å
2031	S	59.8	Low	61.4	Low	79 Å²	79	72.7 Å²	72.7	55%	0.552	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-58	-40	174.6	-48.1	0	0	0	0	113.8	R2029 L2033 G2034	R2029-S2031 PolarHBondContact O-N 3.28Å; R2029-S2031 VanDerWaalsContact O-N 3.1Å; S2031-L2033 PolarHBondContact O-N 2.75Å; S2031-G2034 PolarHBondContact O-N 3.41Å; S2031-G2034 VanDerWaalsContact O-N 3.12Å
2032	D	62.4	Low	62.2	Low	73 Å²	73	65.6 Å²	65.6	39%	0.39	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-75.7	-19.4	-179	-36.2	-48.9	0	0	0	111.3	I2028 R2029 A2030 G2034	I2028-D2032 HydrophobicContact CG2-CB 4.08Å; R2029-D2032 WeakPolarHBondContact CB-OD2 3.06Å; R2029-D2032 PolarHBondContact N-OD2 3Å; R2029-D2032 PolarHBondContact O-N 3.4Å; A2030-D2032 VanDerWaalsContact C-N 3.35Å; A2030-D2032 PolarHBondContact O-N 3.01Å; D2032-G2034 PolarHBondContact O-N 3.18Å
2033	L	61.4	Low	63.1	Low	4 Å²	4	66.8 Å²	66.8	2%	0.021	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-80.6	2.7	170.1	-101.9	166.1	0	0	0	113.8	L2023 R2029 A2030 S2031 I2035 W2106 L2188	L2023-L2033 HydrophobicContact CD1-CD2 3.95Å; L2023-L2033 HydrophobicContact CD2-CD1 3.86Å; L2023-L2033 HydrophobicContact CD2-CD2 3.6Å; L2023-L2033 HydrophobicContact CD2-CG 3.45Å; L2023-L2033 VanDerWaalsContact CD2-CG 3.45Å; L2023-L2033 HydrophobicContact CG-CD2 4.45Å; R2029-L2033 PolarHBondContact O-N 3.41Å; A2030-L2033 WeakPolarHBondContact O-CA 3.26Å; A2030-L2033 VanDerWaalsContact O-CB 3.24Å; A2030-L2033 WeakPolarHBondContact O-CB 3.47Å; A2030-L2033 PolarHBondContact O-N 3.5Å; A2030-L2033 VanDerWaalsContact O-N 3.14Å; S2031-L2033 PolarHBondContact O-N 2.75Å; L2033-I2035 HydrophobicContact CB-CD1 3.94Å; L2033-I2035 HydrophobicContact CB-CG1 4.01Å; L2033-I2035 HydrophobicContact CD1-CD1 4.18Å; L2033-I2035 PolarHBondContact O-N 3.07Å; L2033-W2106 HydrophobicContact CD1-CB 3.7Å; L2033-W2106 HydrophobicContact CD1-CD2 3.31Å; L2033-W2106 HydrophobicContact CD1-CE3 3.73Å; L2033-W2106 HydrophobicContact CD1-CG 3.34Å; L2033-W2106 HydrophobicContact CD1-CZ2 4.3Å; L2033-W2106 HydrophobicContact CD1-CZ3 4.35Å; L2033-L2188 WeakPolarHBondContact O-CD2 3.47Å
2034	G	62.7	Low	64.1	Low	38 Å²	38	70.6 Å²	70.6	39%	0.392	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.1	9.9	-174.8	0	0	0	0	0	114.1	S2031 D2032 Q2036	S2031-G2034 PolarHBondContact O-N 3.41Å; S2031-G2034 VanDerWaalsContact O-N 3.12Å; D2032-G2034 PolarHBondContact O-N 3.18Å; G2034-Q2036 PolarHBondContact O-N 3.46Å
2035	I	65.6	Low	65.1	Low	4 Å²	4	72 Å²	72	2%	0.021	40%	0.395	C	S	.	.			trans	-74.3	115.8	174.3	-58.4	167.5	0	0	0	107.1	A2030 L2033 A2037 I2039 D2099 A2102 W2106	A2030-I2035 HydrophobicContact CB-CB 4.09Å; A2030-I2035 HydrophobicContact CB-CD1 4.12Å; A2030-I2035 HydrophobicContact CB-CG2 4.36Å; A2030-I2035 VanDerWaalsContact O-CB 3.3Å; A2030-I2035 WeakPolarHBondContact O-CB 3.39Å; A2030-I2035 PolarHBondContact O-N 2.82Å; A2030-I2035 VanDerWaalsContact O-N 3.08Å; L2033-I2035 HydrophobicContact CB-CD1 3.94Å; L2033-I2035 HydrophobicContact CB-CG1 4.01Å; L2033-I2035 HydrophobicContact CD1-CD1 4.18Å; L2033-I2035 PolarHBondContact O-N 3.07Å; I2035-A2037 HydrophobicContact CG2-CB 4.44Å; I2035-A2037 WeakPolarHBondContact CG2-O 3.38Å; I2035-I2039 HydrophobicContact CG2-CD1 3.6Å; I2035-I2039 HydrophobicContact CG2-CG1 3.89Å; I2035-D2099 WeakPolarHBondContact CA-OD1 3.22Å; I2035-D2099 HydrophobicContact CG2-CB 4.13Å; I2035-A2102 HydrophobicContact CD1-CB 4.15Å; I2035-A2102 HydrophobicContact CG1-CB 3.65Å; I2035-W2106 HydrophobicContact CD1-CE3 4.3Å
2036	Q	55.2	Low	66.1	Low	173 Å²	173	68.3 Å²	68.3	81%	0.808	38%	0.376	S	S	*	.			trans	-81.2	-20.2	-174.7	-58.8	-175	11.4	0	0	112.3	G2034 D2099	G2034-Q2036 PolarHBondContact O-N 3.46Å; Q2036-D2099 PolarHBondContact N-OD1 3.29Å
2037	A	60.1	Low	67.4	Low	13 Å²	13	63.6 Å²	63.6	11%	0.107	34%	0.344	C	S	.	.	S	Bend	trans	-82	141.1	168.2	0	0	0	0	0	110.8	I2035 I2039 L2095	I2035-A2037 HydrophobicContact CG2-CB 4.44Å; I2035-A2037 WeakPolarHBondContact CG2-O 3.38Å; A2037-I2039 HydrophobicContact CB-CD1 4.35Å; A2037-I2039 HydrophobicContact CB-CG1 3.83Å; A2037-I2039 PolarHBondContact O-N 3.27Å; A2037-L2095 HydrophobicContact CB-CD1 4.05Å
2038	P	57.5	Low	68.7	Low	76 Å²	76	59.9 Å²	59.9	49%	0.494	33%	0.327	S	S	.	.			trans	-77.3	54.5	179.3	34.6	-38.7	0	0	0	112.5	A2040 Q2088 L2090	P2038-A2040 PolarHBondContact O-N 3.24Å; P2038-Q2088 PolarHBondContact O-OE1 3.48Å; P2038-L2090 HydrophobicContact CG-CD1 3.68Å
2039	I	66.3	Low	69.9	Low	23 Å²	23	61.6 Å²	61.6	12%	0.118	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-68.9	129.1	-177.5	-42.1	178.1	0	0	0	109.7	A2030 I2035 A2037 L2084 L2095 Y2103	A2030-I2039 WeakPolarHBondContact CB-O 3.44Å; I2035-I2039 HydrophobicContact CG2-CD1 3.6Å; I2035-I2039 HydrophobicContact CG2-CG1 3.89Å; A2037-I2039 HydrophobicContact CB-CD1 4.35Å; A2037-I2039 HydrophobicContact CB-CG1 3.83Å; A2037-I2039 PolarHBondContact O-N 3.27Å; I2039-L2084 HydrophobicContact CG2-CD1 4.23Å; I2039-L2095 HydrophobicContact CD1-CD1 3.65Å; I2039-Y2103 HydrophobicContact CD1-CD2 4.17Å; I2039-Y2103 HydrophobicContact CG2-CD2 3.98Å; I2039-Y2103 HydrophobicContact CG2-CE2 3.69Å
2040	A	68.1	Low	71.3	Confident	42 Å²	42	52.8 Å²	52.8	35%	0.347	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-60.6	151.5	171.8	0	0	0	0	0	111.7	P2038 L2084	P2038-A2040 PolarHBondContact O-N 3.24Å; A2040-L2084 HydrophobicContact CB-CD2 4.24Å
2041	P	70	Confident	72.5	Confident	84 Å²	84	54.5 Å²	54.5	55%	0.545	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-60.7	153.5	179	24.3	-34	0	0	0	112.7	K2043 W2106	P2041-K2043 PolarHBondContact O-N 2.83Å; P2041-W2106 VanDerWaalsContact CA-CH2 3.48Å; P2041-W2106 HydrophobicContact CB-CH2 3.7Å; P2041-W2106 HydrophobicContact CB-CZ2 3.95Å
2042	P	77.1	Confident	73.8	Confident	8 Å²	8	55.1 Å²	55.1	5%	0.052	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-64.9	122.9	-175.5	-16.5	30.2	0	0	0	110.6	E2044 L2046 I2047 Y2103 W2106 V2107	P2042-E2044 PolarHBondContact O-N 2.73Å; P2042-L2046 HydrophobicContact CB-CD2 4.07Å; P2042-I2047 HydrophobicContact CB-CD1 4.41Å; P2042-I2047 HydrophobicContact CB-CG1 4.42Å; P2042-Y2103 HydrophobicContact CG-CE2 4.17Å; P2042-W2106 HydrophobicContact CG-CD2 3.98Å; P2042-W2106 HydrophobicContact CG-CE3 3.91Å; P2042-W2106 HydrophobicContact CG-CG 4.42Å; P2042-W2106 HydrophobicContact CG-CZ3 4.4Å; P2042-V2107 HydrophobicContact CB-CG2 3.94Å; P2042-V2107 HydrophobicContact CG-CG2 3.85Å
2043	K	79.6	Confident	74.9	Confident	126 Å²	126	52.6 Å²	52.6	55%	0.548	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-56.3	137.5	179	-61.9	-177.1	-178.6	179.7	0	109.7	P2041 S2045 L2046 I2047	P2041-K2043 PolarHBondContact O-N 2.83Å; K2043-S2045 PolarHBondContact O-N 3.31Å; K2043-S2045 VanDerWaalsContact O-N 3.11Å; K2043-L2046 WeakPolarHBondContact O-CA 3.48Å; K2043-L2046 WeakPolarHBondContact O-CB 3.37Å; K2043-L2046 PolarHBondContact O-N 3.41Å; K2043-I2047 PolarHBondContact O-N 3.22Å
2044	E	79	Confident	76	Confident	96 Å²	96	53.4 Å²	53.4	45%	0.449	30%	0.295	S	S	.	.	H	α-helix	trans	-57.2	-33.3	-174.3	-171.6	56.2	-144.4	0	0	113	P2042 L2046 I2047 Q2048	P2042-E2044 PolarHBondContact O-N 2.73Å; E2044-L2046 VanDerWaalsContact C-N 3.27Å; E2044-L2046 PolarHBondContact O-N 3.39Å; E2044-I2047 WeakPolarHBondContact O-CB 3.47Å; E2044-I2047 PolarHBondContact O-N 2.9Å; E2044-Q2048 HydrophobicContact CG-CG 4.37Å; E2044-Q2048 WeakPolarHBondContact O-CG 3.42Å; E2044-Q2048 PolarHBondContact O-N 2.93Å; E2044-Q2048 PolarHBondContact OE1-NE2 3.31Å
2045	S	82.9	Confident	77	Confident	81 Å²	81	54.2 Å²	54.2	57%	0.566	30%	0.295	S	S	*	.	H	α-helix	trans	-62.6	-27.4	173.2	52.8	0	0	0	0	114.5	K2043 Y2049	K2043-S2045 PolarHBondContact O-N 3.31Å; K2043-S2045 VanDerWaalsContact O-N 3.11Å; S2045-Y2049 WeakPolarHBondContact O-CB 3.47Å; S2045-Y2049 PolarHBondContact O-N 3.08Å; S2045-Y2049 VanDerWaalsContact O-N 3.14Å
2046	L	84.9	Confident	77.9	Confident	8 Å²	8	59.3 Å²	59.3	4%	0.042	32%	0.318	C	S	.	.	H	α-helix	trans	-67.1	-45.2	169.8	-176.3	72	0	0	0	110.5	P2042 K2043 E2044 Y2049 V2050 Y2076 I2077 S2080 V2107	P2042-L2046 HydrophobicContact CB-CD2 4.07Å; K2043-L2046 WeakPolarHBondContact O-CA 3.48Å; K2043-L2046 WeakPolarHBondContact O-CB 3.37Å; K2043-L2046 PolarHBondContact O-N 3.41Å; E2044-L2046 VanDerWaalsContact C-N 3.27Å; E2044-L2046 PolarHBondContact O-N 3.39Å; L2046-Y2049 PolarHBondContact O-N 3.27Å; L2046-V2050 WeakPolarHBondContact O-CB 3.39Å; L2046-V2050 VanDerWaalsContact O-CG2 3.27Å; L2046-V2050 WeakPolarHBondContact O-CG2 3.26Å; L2046-V2050 PolarHBondContact O-N 3.04Å; L2046-Y2076 HydrophobicContact CD1-CD1 3.45Å; L2046-Y2076 VanDerWaalsContact CD1-CD1 3.45Å; L2046-Y2076 HydrophobicContact CD1-CE1 3.58Å; L2046-I2077 HydrophobicContact CD1-CG1 4.25Å; L2046-S2080 WeakPolarHBondContact CD2-OG 3.49Å; L2046-V2107 HydrophobicContact CD2-CG1 4.3Å; L2046-V2107 HydrophobicContact CD2-CG2 3.89Å
2047	I	84.3	Confident	79.3	Confident	4 Å²	4	51 Å²	51	2%	0.021	28%	0.28	C	S	.	.	H	α-helix	trans	-63.7	-50	-177.5	-62.8	167.5	0	0	0	109.2	P2042 K2043 E2044 Y2049 V2050 V2051 R2110	P2042-I2047 HydrophobicContact CB-CD1 4.41Å; P2042-I2047 HydrophobicContact CB-CG1 4.42Å; K2043-I2047 PolarHBondContact O-N 3.22Å; E2044-I2047 WeakPolarHBondContact O-CB 3.47Å; E2044-I2047 PolarHBondContact O-N 2.9Å; I2047-Y2049 PolarHBondContact O-N 2.88Å; I2047-V2050 PolarHBondContact O-N 3.37Å; I2047-V2051 WeakPolarHBondContact O-CG2 3.41Å; I2047-V2051 PolarHBondContact O-N 3.11Å; I2047-R2110 HydrophobicContact CD1-CB 3.79Å; I2047-R2110 HydrophobicContact CG1-CB 4.32Å
2048	Q	85.1	Confident	80.4	Confident	95 Å²	95	51.2 Å²	51.2	44%	0.444	28%	0.281	S	S	.	.	H	α-helix	trans	-62.4	-39.6	178.1	-62	-59.1	-35.2	0	0	112.9	E2044 V2051 N2052	E2044-Q2048 HydrophobicContact CG-CG 4.37Å; E2044-Q2048 WeakPolarHBondContact O-CG 3.42Å; E2044-Q2048 PolarHBondContact O-N 2.93Å; E2044-Q2048 PolarHBondContact OE1-NE2 3.31Å; Q2048-V2051 PolarHBondContact O-N 3.43Å; Q2048-N2052 WeakPolarHBondContact O-CB 3.01Å; Q2048-N2052 PolarHBondContact O-N 3.19Å
2049	Y	87.6	Confident	81.5	Confident	74 Å²	74	53.6 Å²	53.6	29%	0.29	29%	0.29	S	S	.	.	H	α-helix	trans	-62.4	-43.9	173	179	-88.5	0	0	0	112.1	S2045 L2046 I2047 N2052 V2053 Y2076	S2045-Y2049 WeakPolarHBondContact O-CB 3.47Å; S2045-Y2049 PolarHBondContact O-N 3.08Å; S2045-Y2049 VanDerWaalsContact O-N 3.14Å; L2046-Y2049 PolarHBondContact O-N 3.27Å; I2047-Y2049 PolarHBondContact O-N 2.88Å; Y2049-N2052 PolarHBondContact O-N 3.3Å; Y2049-V2053 HydrophobicContact CD1-CG2 4.09Å; Y2049-V2053 HydrophobicContact CD2-CG2 4.42Å; Y2049-V2053 HydrophobicContact CE1-CG2 3.65Å; Y2049-V2053 HydrophobicContact CE2-CG2 4Å; Y2049-V2053 HydrophobicContact CG-CG2 4.46Å; Y2049-V2053 WeakPolarHBondContact O-CG2 3.26Å; Y2049-V2053 PolarHBondContact O-N 3Å; Y2049-Y2076 AromaticContact CD1-CD1 3.16Å; Y2049-Y2076 HydrophobicContact CD1-CD1 3.16Å; Y2049-Y2076 HydrophobicContact CD1-CD2 4.47Å; Y2049-Y2076 AromaticContact CD1-CE1 3.44Å; Y2049-Y2076 HydrophobicContact CD1-CE1 3.44Å; Y2049-Y2076 VanDerWaalsContact CD1-CE1 3.44Å; Y2049-Y2076 AromaticContact CD1-CG 3.74Å; Y2049-Y2076 HydrophobicContact CD1-CG 3.74Å; Y2049-Y2076 HydrophobicContact CD2-CE1 4.24Å; Y2049-Y2076 AromaticContact CE1-CD1 3.47Å; Y2049-Y2076 HydrophobicContact CE1-CD1 3.47Å; Y2049-Y2076 VanDerWaalsContact CE1-CD1 3.47Å; Y2049-Y2076 HydrophobicContact CE1-CD2 4.1Å; Y2049-Y2076 HydrophobicContact CE1-CE1 4.04Å; Y2049-Y2076 AromaticContact CE1-CG 3.51Å; Y2049-Y2076 HydrophobicContact CE1-CG 3.51Å; Y2049-Y2076 AromaticContact CG-CD1 3.81Å; Y2049-Y2076 HydrophobicContact CG-CD1 3.81Å; Y2049-Y2076 AromaticContact CG-CE1 3.54Å; Y2049-Y2076 HydrophobicContact CG-CE1 3.54Å
2050	V	86.6	Confident	82.5	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-65.2	-38.9	178.7	169	0	0	0	0	111.5	L2046 I2047 Y2054 I2073 I2077 V2107 F2108 L2113	L2046-V2050 WeakPolarHBondContact O-CB 3.39Å; L2046-V2050 VanDerWaalsContact O-CG2 3.27Å; L2046-V2050 WeakPolarHBondContact O-CG2 3.26Å; L2046-V2050 PolarHBondContact O-N 3.04Å; I2047-V2050 PolarHBondContact O-N 3.37Å; V2050-Y2054 WeakPolarHBondContact O-CB 3.27Å; V2050-Y2054 PolarHBondContact O-N 3.2Å; V2050-I2073 HydrophobicContact CG1-CG2 4.27Å; V2050-I2073 HydrophobicContact CG2-CG2 4.36Å; V2050-I2077 HydrophobicContact CG2-CD1 4.04Å; V2050-I2077 HydrophobicContact CG2-CG1 4Å; V2050-V2107 HydrophobicContact CG1-CG1 4.49Å; V2050-V2107 HydrophobicContact CG2-CG1 4.2Å; V2050-F2108 HydrophobicContact CG1-CD1 4.18Å; V2050-F2108 HydrophobicContact CG1-CE1 4.13Å; V2050-L2113 HydrophobicContact CG1-CD1 3.69Å
2051	V	86.8	Confident	83.3	Confident	43 Å²	43	52.8 Å²	52.8	26%	0.261	28%	0.279	S	S	.	.	H	α-helix	trans	-60.1	-52.5	170.7	173.9	0	0	0	0	110.7	I2047 Q2048 V2053 Y2054 S2055	I2047-V2051 WeakPolarHBondContact O-CG2 3.41Å; I2047-V2051 PolarHBondContact O-N 3.11Å; Q2048-V2051 PolarHBondContact O-N 3.43Å; V2051-V2053 PolarHBondContact O-N 3.5Å; V2051-Y2054 WeakPolarHBondContact O-CB 3.42Å; V2051-Y2054 PolarHBondContact O-N 2.94Å; V2051-Y2054 VanDerWaalsContact O-N 3.14Å; V2051-S2055 PolarHBondContact O-N 3.03Å; V2051-S2055 PolarHBondContact O-OG 2.98Å
2052	N	86.3	Confident	83.8	Confident	93 Å²	93	49.8 Å²	49.8	50%	0.497	26%	0.26	S	S	.	.	H	α-helix	trans	-61.1	-48	-176.1	-75.6	-6	0	0	0	112.6	Q2048 Y2049 Y2054 S2055 H2056	Q2048-N2052 WeakPolarHBondContact O-CB 3.01Å; Q2048-N2052 PolarHBondContact O-N 3.19Å; Y2049-N2052 PolarHBondContact O-N 3.3Å; N2052-Y2054 VanDerWaalsContact C-N 3.27Å; N2052-Y2054 PolarHBondContact O-N 2.92Å; N2052-S2055 PolarHBondContact O-N 3.39Å; N2052-H2056 PolarHBondContact O-N 3.02Å; N2052-H2056 PolarHBondContact O-ND1 3.49Å
2053	V	85.6	Confident	83.9	Confident	19 Å²	19	49.6 Å²	49.6	12%	0.115	26%	0.258	C	S	.	.	H	α-helix	trans	-65.7	-33.2	177.3	179.4	0	0	0	0	111.2	Y2049 V2051 H2056 L2057 Y2069 I2073	Y2049-V2053 HydrophobicContact CD1-CG2 4.09Å; Y2049-V2053 HydrophobicContact CD2-CG2 4.42Å; Y2049-V2053 HydrophobicContact CE1-CG2 3.65Å; Y2049-V2053 HydrophobicContact CE2-CG2 4Å; Y2049-V2053 HydrophobicContact CG-CG2 4.46Å; Y2049-V2053 WeakPolarHBondContact O-CG2 3.26Å; Y2049-V2053 PolarHBondContact O-N 3Å; V2051-V2053 PolarHBondContact O-N 3.5Å; V2053-H2056 PolarHBondContact O-N 3.25Å; V2053-L2057 WeakPolarHBondContact O-CB 3.07Å; V2053-L2057 PolarHBondContact O-N 2.82Å; V2053-Y2069 HydrophobicContact CG1-CD1 3.89Å; V2053-Y2069 HydrophobicContact CG1-CG 4.29Å; V2053-I2073 HydrophobicContact CB-CD1 4.25Å; V2053-I2073 HydrophobicContact CB-CG1 3.99Å; V2053-I2073 HydrophobicContact CG1-CD1 3.93Å; V2053-I2073 HydrophobicContact CG1-CG1 3.69Å
2054	Y	85.2	Confident	83.6	Confident	21 Å²	21	47.2 Å²	47.2	8%	0.082	25%	0.249	C	C	.	.	H	α-helix	trans	-67.4	-38.3	174.2	-178.8	-85.7	0	0	0	112.9	V2050 V2051 N2052 H2056 L2057 A2058 L2113 P2147 V2148 Q2151	V2050-Y2054 WeakPolarHBondContact O-CB 3.27Å; V2050-Y2054 PolarHBondContact O-N 3.2Å; V2051-Y2054 WeakPolarHBondContact O-CB 3.42Å; V2051-Y2054 PolarHBondContact O-N 2.94Å; V2051-Y2054 VanDerWaalsContact O-N 3.14Å; N2052-Y2054 VanDerWaalsContact C-N 3.27Å; N2052-Y2054 PolarHBondContact O-N 2.92Å; Y2054-H2056 VanDerWaalsContact C-N 3.32Å; Y2054-H2056 PolarHBondContact O-N 2.87Å; Y2054-L2057 HydrophobicContact CD2-CD1 4.39Å; Y2054-L2057 HydrophobicContact CD2-CD2 4.46Å; Y2054-L2057 HydrophobicContact CE2-CD2 4.19Å; Y2054-L2057 WeakPolarHBondContact O-CB 3.11Å; Y2054-L2057 PolarHBondContact O-N 3.46Å; Y2054-A2058 HydrophobicContact CE1-CB 4Å; Y2054-A2058 WeakPolarHBondContact O-CB 3.32Å; Y2054-A2058 PolarHBondContact O-N 3.25Å; Y2054-L2113 HydrophobicContact CD1-CD1 4.43Å; Y2054-L2113 HydrophobicContact CD1-CD2 3.22Å; Y2054-L2113 HydrophobicContact CD1-CG 4.44Å; Y2054-L2113 HydrophobicContact CD2-CD1 3.77Å; Y2054-L2113 HydrophobicContact CD2-CD2 3.85Å; Y2054-L2113 HydrophobicContact CD2-CG 4.38Å; Y2054-L2113 HydrophobicContact CE1-CD2 3.7Å; Y2054-L2113 HydrophobicContact CE2-CD2 4.25Å; Y2054-L2113 HydrophobicContact CG-CD1 3.66Å; Y2054-L2113 HydrophobicContact CG-CD2 3.33Å; Y2054-L2113 HydrophobicContact CG-CG 4.13Å; Y2054-P2147 HydrophobicContact CE1-CB 3.81Å; Y2054-P2147 HydrophobicContact CE2-CB 4.5Å; Y2054-P2147 WeakPolarHBondContact OH-CA 3.26Å; Y2054-P2147 WeakPolarHBondContact OH-CB 3.47Å; Y2054-P2147 PolarHBondContact OH-O 3.03Å; Y2054-V2148 HydrophobicContact CD2-CG2 4.45Å; Y2054-V2148 HydrophobicContact CE2-CG2 4.03Å; Y2054-Q2151 HydrophobicContact CE2-CG 3.95Å; Y2054-Q2151 WeakPolarHBondContact OH-CG 3.23Å
2055	S	83.6	Confident	83.8	Confident	55 Å²	55	44.3 Å²	44.3	39%	0.385	23%	0.234	S	C	.	.	H	α-helix	trans	-61	-41.4	175.2	-61.7	0	0	0	0	112	V2051 N2052 A2058 N2059	V2051-S2055 PolarHBondContact O-N 3.03Å; V2051-S2055 PolarHBondContact O-OG 2.98Å; N2052-S2055 PolarHBondContact O-N 3.39Å; S2055-A2058 PolarHBondContact O-N 3.5Å; S2055-N2059 PolarHBondContact O-N 2.98Å
2056	H	84.4	Confident	83.9	Confident	111 Å²	111	40.5 Å²	40.5	51%	0.514	21%	0.207	S	C	.	.	H	α-helix	trans	-63.3	-43.4	173.4	-69.1	77.1	0	0	0	111.6	N2052 V2053 Y2054 T2060 Y2069	N2052-H2056 PolarHBondContact O-N 3.02Å; N2052-H2056 PolarHBondContact O-ND1 3.49Å; V2053-H2056 PolarHBondContact O-N 3.25Å; Y2054-H2056 VanDerWaalsContact C-N 3.32Å; Y2054-H2056 PolarHBondContact O-N 2.87Å; H2056-T2060 VanDerWaalsContact O-CB 3.29Å; H2056-T2060 WeakPolarHBondContact O-CB 3.37Å; H2056-T2060 PolarHBondContact O-N 2.74Å; H2056-T2060 VanDerWaalsContact O-N 3.1Å; H2056-T2060 PolarHBondContact O-OG1 2.7Å; H2056-Y2069 HydrophobicContact CB-CE1 4.24Å; H2056-Y2069 HydrophobicContact CB-CE2 4.26Å
2057	L	84.7	Confident	83.7	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-58.7	-47.7	174.4	178.5	170.3	0	0	0	111.7	V2053 Y2054 N2059 T2060 K2066 Y2069 L2070 I2073 Q2151	V2053-L2057 WeakPolarHBondContact O-CB 3.07Å; V2053-L2057 PolarHBondContact O-N 2.82Å; Y2054-L2057 HydrophobicContact CD2-CD1 4.39Å; Y2054-L2057 HydrophobicContact CD2-CD2 4.46Å; Y2054-L2057 HydrophobicContact CE2-CD2 4.19Å; Y2054-L2057 WeakPolarHBondContact O-CB 3.11Å; Y2054-L2057 PolarHBondContact O-N 3.46Å; L2057-N2059 PolarHBondContact O-N 3.35Å; L2057-T2060 PolarHBondContact O-N 2.94Å; L2057-K2066 HydrophobicContact CD2-CG 4.42Å; L2057-K2066 HydrophobicContact CG-CB 4.43Å; L2057-K2066 HydrophobicContact CG-CG 4.37Å; L2057-K2066 PolarHBondContact O-NZ 3.04Å; L2057-Y2069 HydrophobicContact CB-CD2 3.96Å; L2057-Y2069 HydrophobicContact CB-CG 4.2Å; L2057-L2070 HydrophobicContact CD1-CD2 3.46Å; L2057-L2070 VanDerWaalsContact CD1-CD2 3.46Å; L2057-L2070 HydrophobicContact CD1-CG 3.63Å; L2057-I2073 HydrophobicContact CD1-CD1 4.39Å; L2057-Q2151 HydrophobicContact CD2-CB 3.89Å; L2057-Q2151 HydrophobicContact CD2-CG 3.57Å
2058	A	82.3	Confident	83.6	Confident	16 Å²	16	43.4 Å²	43.4	13%	0.132	22%	0.223	C	C	.	.	H	α-helix	trans	-58.4	-50.5	-176.5	0	0	0	0	0	111.4	H1996 Y2054 S2055 T2060 K2066	H1996-A2058 VanDerWaalsContact CE1-C 3.48Å; H1996-A2058 PolarHBondContact CE1-O 3.47Å; H1996-A2058 PolarHBondContact NE2-O 2.79Å; Y2054-A2058 HydrophobicContact CE1-CB 4Å; Y2054-A2058 WeakPolarHBondContact O-CB 3.32Å; Y2054-A2058 PolarHBondContact O-N 3.25Å; S2055-A2058 PolarHBondContact O-N 3.5Å; A2058-T2060 VanDerWaalsContact C-N 3.35Å; A2058-T2060 PolarHBondContact O-N 2.95Å; A2058-K2066 PolarHBondContact O-NZ 3.33Å; A2058-K2066 VanDerWaalsContact O-NZ 3.1Å
2059	N	81.8	Confident	83.6	Confident	126 Å²	126	40.1 Å²	40.1	67%	0.674	21%	0.207	S	C	*	.	H	α-helix	trans	-73.2	-22.3	-177.7	-66.4	-2.6	0	0	0	113.5	H1996 S2055 L2057 Y2061	H1996-N2059 WeakPolarHBondContact CE1-CA 3.27Å; H1996-N2059 PolarHBondContact CE1-O 2.83Å; S2055-N2059 PolarHBondContact O-N 2.98Å; L2057-N2059 PolarHBondContact O-N 3.35Å; N2059-Y2061 PolarHBondContact O-N 3.22Å
2060	T	85.8	Confident	83.3	Confident	20 Å²	20	37 Å²	37	12%	0.123	20%	0.195	C	C	.	.			trans	-77.8	115.1	-177.6	-64.7	0	0	0	0	112	H2056 L2057 A2058 S2062 R2065 K2066 Y2069	H2056-T2060 VanDerWaalsContact O-CB 3.29Å; H2056-T2060 WeakPolarHBondContact O-CB 3.37Å; H2056-T2060 PolarHBondContact O-N 2.74Å; H2056-T2060 VanDerWaalsContact O-N 3.1Å; H2056-T2060 PolarHBondContact O-OG1 2.7Å; L2057-T2060 PolarHBondContact O-N 2.94Å; A2058-T2060 VanDerWaalsContact C-N 3.35Å; A2058-T2060 PolarHBondContact O-N 2.95Å; T2060-S2062 VanDerWaalsContact C-N 3.29Å; T2060-S2062 PolarHBondContact O-N 3.13Å; T2060-R2065 HydrophobicContact CG2-CB 3.5Å; T2060-R2065 HydrophobicContact CG2-CG 4.23Å; T2060-K2066 WeakPolarHBondContact O-CE 3.42Å; T2060-K2066 WeakPolarHBondContact O-CG 3.31Å; T2060-K2066 PolarHBondContact O-NZ 2.97Å; T2060-Y2069 HydrophobicContact CG2-CE2 4.36Å
2061	Y	85.8	Confident	83	Confident	28 Å²	28	40.1 Å²	40.1	11%	0.11	21%	0.214	C	C	.	.			trans	-65.8	-28.5	174	71.4	-91.5	0	0	0	113.5	R1989 L1992 K1993 N2059 V2063 Y2154	R1989-Y2061 HydrophobicContact CG-CE2 4.49Å; L1992-Y2061 HydrophobicContact CB-CD2 4.01Å; K1993-Y2061 HydrophobicContact CB-CD1 3.84Å; K1993-Y2061 HydrophobicContact CB-CD2 4.28Å; K1993-Y2061 HydrophobicContact CB-CE1 3.91Å; K1993-Y2061 HydrophobicContact CB-CE2 4.37Å; K1993-Y2061 HydrophobicContact CB-CG 4.05Å; K1993-Y2061 HydrophobicContact CD-CD1 4.36Å; K1993-Y2061 HydrophobicContact CD-CE1 3.87Å; K1993-Y2061 HydrophobicContact CG-CD1 3.77Å; K1993-Y2061 HydrophobicContact CG-CE1 3.78Å; K1993-Y2061 HydrophobicContact CG-CG 4.45Å; N2059-Y2061 PolarHBondContact O-N 3.22Å; Y2061-V2063 PolarHBondContact O-N 2.76Å; Y2061-Y2154 PolarHBondContact O-OH 3.4Å
2062	S	80.3	Confident	82.8	Confident	22 Å²	22	40.4 Å²	40.4	15%	0.154	22%	0.218	C	C	.	.			trans	-69.5	115.5	-173.5	174.8	0	0	0	0	111.7	T2060 Q2064 R2065 K2066	T2060-S2062 VanDerWaalsContact C-N 3.29Å; T2060-S2062 PolarHBondContact O-N 3.13Å; S2062-Q2064 VanDerWaalsContact C-N 3.32Å; S2062-Q2064 PolarHBondContact O-N 2.9Å; S2062-R2065 PolarHBondContact O-N 3Å; S2062-R2065 VanDerWaalsContact O-N 3.15Å; S2062-K2066 PolarHBondContact O-N 3.42Å
2063	V	78.5	Confident	82.7	Confident	3 Å²	3	36 Å²	36	2%	0.018	20%	0.195	C	C	.	.	H	α-helix	trans	-55.4	-43.7	179.5	171.8	0	0	0	0	112	L1992 Y2061 K2066 I2067 Y2154 L2155 V2158 L2159	L1992-V2063 HydrophobicContact CD1-CG2 4.23Å; Y2061-V2063 PolarHBondContact O-N 2.76Å; V2063-K2066 PolarHBondContact O-N 3.35Å; V2063-I2067 HydrophobicContact CG1-CD1 4.27Å; V2063-I2067 WeakPolarHBondContact O-CG1 3.37Å; V2063-I2067 PolarHBondContact O-N 3.36Å; V2063-Y2154 HydrophobicContact CG2-CE1 4.4Å; V2063-L2155 HydrophobicContact CB-CD2 4.48Å; V2063-L2155 HydrophobicContact CG1-CD2 3.87Å; V2063-V2158 HydrophobicContact CG2-CB 4.35Å; V2063-V2158 HydrophobicContact CG2-CG1 3.8Å; V2063-L2159 HydrophobicContact CG1-CD1 4.17Å; V2063-L2159 HydrophobicContact CG1-CD2 3.35Å; V2063-L2159 HydrophobicContact CG1-CG 3.59Å
2064	Q	75	Confident	82.6	Confident	77 Å²	77	36 Å²	36	36%	0.36	19%	0.193	S	C	.	.	H	α-helix	trans	-64.6	-44.4	177.4	-173.4	62.8	53.2	0	0	111.8	S2062 K2066 I2067 N2068 L2164	S2062-Q2064 VanDerWaalsContact C-N 3.32Å; S2062-Q2064 PolarHBondContact O-N 2.9Å; Q2064-K2066 PolarHBondContact O-N 3.21Å; Q2064-I2067 PolarHBondContact O-N 3.47Å; Q2064-N2068 PolarHBondContact NE2-OD1 3.09Å; Q2064-N2068 VanDerWaalsContact O-CG 3.25Å; Q2064-N2068 PolarHBondContact O-N 2.75Å; Q2064-N2068 PolarHBondContact O-OD1 2.71Å; Q2064-L2164 VanDerWaalsContact OE1-CD2 3.29Å
2065	R	81.6	Confident	82.6	Confident	35 Å²	35	39.7 Å²	39.7	13%	0.132	21%	0.214	C	C	.	.	H	α-helix	trans	-62.8	-42.1	176.5	-71	-170.8	-172.8	175.2	7.9	111	D140 D143 E144 T2060 S2062 I2067 N2068 Y2069	D140-R2065 PolarHBondContact O-NH2 2.65Å; D143-R2065 VanDerWaalsContact CB-NH2 3.27Å; D143-R2065 PolarHBondContact O-NH2 3.44Å; D143-R2065 IonicContact OD2-NH1 3.74Å; E144-R2065 VanDerWaalsContact CG-NH2 3.26Å; T2060-R2065 HydrophobicContact CG2-CB 3.5Å; T2060-R2065 HydrophobicContact CG2-CG 4.23Å; S2062-R2065 PolarHBondContact O-N 3Å; S2062-R2065 VanDerWaalsContact O-N 3.15Å; R2065-I2067 VanDerWaalsContact C-N 3.35Å; R2065-I2067 PolarHBondContact O-N 2.69Å; R2065-N2068 PolarHBondContact O-N 3.37Å; R2065-Y2069 HydrophobicContact CB-CD2 4.48Å; R2065-Y2069 HydrophobicContact CB-CE2 4.11Å; R2065-Y2069 WeakPolarHBondContact O-CD2 3.5Å; R2065-Y2069 PolarHBondContact O-N 3.11Å
2066	K	85.9	Confident	82.6	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-55.1	-47	173.3	-74.2	-169.6	-171.3	-64.5	0	111.9	H1996 L2057 A2058 T2060 S2062 V2063 Q2064 Y2069 L2070 Y2154 L2155	H1996-K2066 PolarHBondContact NE2-NZ 3.2Å; L2057-K2066 HydrophobicContact CD2-CG 4.42Å; L2057-K2066 HydrophobicContact CG-CB 4.43Å; L2057-K2066 HydrophobicContact CG-CG 4.37Å; L2057-K2066 PolarHBondContact O-NZ 3.04Å; A2058-K2066 PolarHBondContact O-NZ 3.33Å; A2058-K2066 VanDerWaalsContact O-NZ 3.1Å; T2060-K2066 WeakPolarHBondContact O-CE 3.42Å; T2060-K2066 WeakPolarHBondContact O-CG 3.31Å; T2060-K2066 PolarHBondContact O-NZ 2.97Å; S2062-K2066 PolarHBondContact O-N 3.42Å; V2063-K2066 PolarHBondContact O-N 3.35Å; Q2064-K2066 PolarHBondContact O-N 3.21Å; K2066-Y2069 PolarHBondContact O-N 3.49Å; K2066-L2070 WeakPolarHBondContact O-CG 3.27Å; K2066-L2070 PolarHBondContact O-N 3.4Å; K2066-Y2154 HydrophobicContact CD-CD1 3.93Å; K2066-Y2154 HydrophobicContact CD-CE1 4.14Å; K2066-L2155 HydrophobicContact CB-CD2 4.03Å; K2066-L2155 HydrophobicContact CD-CD2 4.16Å; K2066-L2155 HydrophobicContact CD-CG 4.42Å
2067	I	80.9	Confident	82.7	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-62.1	-44.7	176.5	-66.8	168.4	0	0	0	110.9	V2063 Q2064 R2065 Y2069 L2070 V2071 L2155 L2159 L2164 L2171	V2063-I2067 HydrophobicContact CG1-CD1 4.27Å; V2063-I2067 WeakPolarHBondContact O-CG1 3.37Å; V2063-I2067 PolarHBondContact O-N 3.36Å; Q2064-I2067 PolarHBondContact O-N 3.47Å; R2065-I2067 VanDerWaalsContact C-N 3.35Å; R2065-I2067 PolarHBondContact O-N 2.69Å; I2067-Y2069 VanDerWaalsContact C-N 3.34Å; I2067-Y2069 PolarHBondContact O-N 3.44Å; I2067-L2070 WeakPolarHBondContact O-CB 3.39Å; I2067-L2070 PolarHBondContact O-N 2.89Å; I2067-V2071 HydrophobicContact CG2-CG2 4.43Å; I2067-V2071 WeakPolarHBondContact O-CG2 3.45Å; I2067-V2071 PolarHBondContact O-N 3.5Å; I2067-L2155 HydrophobicContact CG1-CD2 4.28Å; I2067-L2159 HydrophobicContact CD1-CD1 4.38Å; I2067-L2164 HydrophobicContact CD1-CB 4.2Å; I2067-L2164 HydrophobicContact CD1-CD2 4.19Å; I2067-L2171 HydrophobicContact CG2-CD1 4.39Å
2068	N	81.5	Confident	82.5	Confident	73 Å²	73	39.4 Å²	39.4	39%	0.39	20%	0.2	S	C	.	.	H	α-helix	trans	-61.7	-39.1	178.2	-66.5	4.3	0	0	0	112.3	Q2064 R2065 S2072	Q2064-N2068 PolarHBondContact NE2-OD1 3.09Å; Q2064-N2068 VanDerWaalsContact O-CG 3.25Å; Q2064-N2068 PolarHBondContact O-N 2.75Å; Q2064-N2068 PolarHBondContact O-OD1 2.71Å; R2065-N2068 PolarHBondContact O-N 3.37Å; N2068-S2072 WeakPolarHBondContact O-CB 3.43Å; N2068-S2072 PolarHBondContact O-N 3.11Å; N2068-S2072 PolarHBondContact O-OG 2.9Å
2069	Y	85.5	Confident	82.4	Confident	26 Å²	26	43.4 Å²	43.4	10%	0.102	22%	0.215	C	C	.	.	H	α-helix	trans	-66.8	-41	174.2	-67.7	-51.7	0	0	0	112.2	F147 V2053 H2056 L2057 T2060 R2065 K2066 I2067 S2072 I2073	F147-Y2069 HydrophobicContact CE1-CE1 4.04Å; F147-Y2069 AromaticContact CZ-CE1 3.96Å; F147-Y2069 HydrophobicContact CZ-CE1 3.96Å; V2053-Y2069 HydrophobicContact CG1-CD1 3.89Å; V2053-Y2069 HydrophobicContact CG1-CG 4.29Å; H2056-Y2069 HydrophobicContact CB-CE1 4.24Å; H2056-Y2069 HydrophobicContact CB-CE2 4.26Å; L2057-Y2069 HydrophobicContact CB-CD2 3.96Å; L2057-Y2069 HydrophobicContact CB-CG 4.2Å; T2060-Y2069 HydrophobicContact CG2-CE2 4.36Å; R2065-Y2069 HydrophobicContact CB-CD2 4.48Å; R2065-Y2069 HydrophobicContact CB-CE2 4.11Å; R2065-Y2069 WeakPolarHBondContact O-CD2 3.5Å; R2065-Y2069 PolarHBondContact O-N 3.11Å; K2066-Y2069 PolarHBondContact O-N 3.49Å; I2067-Y2069 VanDerWaalsContact C-N 3.34Å; I2067-Y2069 PolarHBondContact O-N 3.44Å; Y2069-S2072 WeakPolarHBondContact O-CB 3.32Å; Y2069-S2072 PolarHBondContact O-N 3.48Å; Y2069-I2073 WeakPolarHBondContact O-CG1 3.44Å; Y2069-I2073 PolarHBondContact O-N 2.93Å
2070	L	81.3	Confident	82.3	Confident	8 Å²	8	38.6 Å²	38.6	4%	0.042	19%	0.191	C	C	.	.	H	α-helix	trans	-59.7	-48.5	173.9	-73.5	176.9	0	0	0	112	L2057 K2066 I2067 S2072 I2073 F2074 L2155 L2171 F2175	L2057-L2070 HydrophobicContact CD1-CD2 3.46Å; L2057-L2070 VanDerWaalsContact CD1-CD2 3.46Å; L2057-L2070 HydrophobicContact CD1-CG 3.63Å; K2066-L2070 WeakPolarHBondContact O-CG 3.27Å; K2066-L2070 PolarHBondContact O-N 3.4Å; I2067-L2070 WeakPolarHBondContact O-CB 3.39Å; I2067-L2070 PolarHBondContact O-N 2.89Å; L2070-S2072 VanDerWaalsContact C-N 3.26Å; L2070-S2072 PolarHBondContact O-N 3.46Å; L2070-I2073 PolarHBondContact O-N 2.67Å; L2070-F2074 WeakPolarHBondContact O-CD2 3.34Å; L2070-F2074 PolarHBondContact O-N 3.34Å; L2070-L2155 HydrophobicContact CD1-CD1 3.7Å; L2070-L2171 HydrophobicContact CB-CD1 4.26Å; L2070-L2171 HydrophobicContact CB-CD2 4.29Å; L2070-L2171 HydrophobicContact CD1-CD1 3.92Å; L2070-F2175 HydrophobicContact CD1-CE2 4.14Å; L2070-F2175 HydrophobicContact CD2-CE2 3.56Å; L2070-F2175 HydrophobicContact CD2-CZ 3.57Å; L2070-F2175 HydrophobicContact CG-CE2 4.46Å
2071	V	81.2	Confident	81.9	Confident	65 Å²	65	38.1 Å²	38.1	39%	0.394	19%	0.188	S	C	.	.	H	α-helix	trans	-60.3	-38.5	176.5	170.7	0	0	0	0	110.9	I2067 N2075	I2067-V2071 HydrophobicContact CG2-CG2 4.43Å; I2067-V2071 WeakPolarHBondContact O-CG2 3.45Å; I2067-V2071 PolarHBondContact O-N 3.5Å; V2071-N2075 WeakPolarHBondContact CG1-ND2 3.37Å; V2071-N2075 VanDerWaalsContact O-CB 3.23Å; V2071-N2075 WeakPolarHBondContact O-CB 3.17Å; V2071-N2075 VanDerWaalsContact O-CG 3.28Å; V2071-N2075 PolarHBondContact O-N 3.04Å; V2071-N2075 PolarHBondContact O-ND2 3.23Å
2072	S	81.9	Confident	81.2	Confident	49 Å²	49	40.7 Å²	40.7	34%	0.343	20%	0.198	S	C	.	.	H	α-helix	trans	-65.4	-44.3	176.7	-59.9	0	0	0	0	112.5	N2068 Y2069 L2070 N2075 Y2076	N2068-S2072 WeakPolarHBondContact O-CB 3.43Å; N2068-S2072 PolarHBondContact O-N 3.11Å; N2068-S2072 PolarHBondContact O-OG 2.9Å; Y2069-S2072 WeakPolarHBondContact O-CB 3.32Å; Y2069-S2072 PolarHBondContact O-N 3.48Å; L2070-S2072 VanDerWaalsContact C-N 3.26Å; L2070-S2072 PolarHBondContact O-N 3.46Å; S2072-N2075 PolarHBondContact O-N 3.07Å; S2072-Y2076 VanDerWaalsContact O-CB 3.3Å; S2072-Y2076 WeakPolarHBondContact O-CB 3.49Å; S2072-Y2076 PolarHBondContact O-N 2.64Å
2073	I	84.5	Confident	80.6	Confident	2 Å²	2	44 Å²	44	1%	0.01	21%	0.214	C	C	.	.	H	α-helix	trans	-58.1	-52.7	173.5	-73.9	167.4	0	0	0	110.7	V2050 V2053 L2057 Y2069 L2070 N2075 Y2076 I2077 F2108	V2050-I2073 HydrophobicContact CG1-CG2 4.27Å; V2050-I2073 HydrophobicContact CG2-CG2 4.36Å; V2053-I2073 HydrophobicContact CB-CD1 4.25Å; V2053-I2073 HydrophobicContact CB-CG1 3.99Å; V2053-I2073 HydrophobicContact CG1-CD1 3.93Å; V2053-I2073 HydrophobicContact CG1-CG1 3.69Å; L2057-I2073 HydrophobicContact CD1-CD1 4.39Å; Y2069-I2073 WeakPolarHBondContact O-CG1 3.44Å; Y2069-I2073 PolarHBondContact O-N 2.93Å; L2070-I2073 PolarHBondContact O-N 2.67Å; I2073-N2075 PolarHBondContact O-N 2.94Å; I2073-Y2076 PolarHBondContact O-N 2.89Å; I2073-I2077 HydrophobicContact CG2-CD1 3.88Å; I2073-I2077 WeakPolarHBondContact O-CG1 3.48Å; I2073-I2077 PolarHBondContact O-N 2.81Å; I2073-F2108 HydrophobicContact CG2-CE1 3.65Å; I2073-F2108 HydrophobicContact CG2-CZ 3.95Å
2074	F	83.9	Confident	79.8	Confident	17 Å²	17	45.2 Å²	45.2	8%	0.075	22%	0.22	C	C	.	.	H	α-helix	trans	-64.6	-40.4	-179.2	-77.1	-64.2	0	0	0	112.7	L2070 R2078 Y2104 F2108 L2171 L2174 F2175	L2070-F2074 WeakPolarHBondContact O-CD2 3.34Å; L2070-F2074 PolarHBondContact O-N 3.34Å; F2074-R2078 VanDerWaalsContact O-CB 3.29Å; F2074-R2078 WeakPolarHBondContact O-CB 3.14Å; F2074-R2078 PolarHBondContact O-N 3Å; F2074-Y2104 AromaticContact CD1-CD1 3.97Å; F2074-Y2104 HydrophobicContact CD1-CD1 3.97Å; F2074-Y2104 AromaticContact CD1-CE1 3.7Å; F2074-Y2104 HydrophobicContact CD1-CE1 3.7Å; F2074-Y2104 HydrophobicContact CD1-CE2 4.44Å; F2074-Y2104 HydrophobicContact CD1-CG 4.5Å; F2074-Y2104 AromaticContact CD1-CZ 3.96Å; F2074-Y2104 HydrophobicContact CE1-CD1 4.14Å; F2074-Y2104 HydrophobicContact CE1-CE1 4.31Å; F2074-Y2104 HydrophobicContact CE1-CG 4.31Å; F2074-F2108 HydrophobicContact CD1-CZ 4.34Å; F2074-F2108 AromaticContact CE1-CE2 3.67Å; F2074-F2108 HydrophobicContact CE1-CE2 3.67Å; F2074-F2108 AromaticContact CE1-CZ 3.66Å; F2074-F2108 HydrophobicContact CE1-CZ 3.66Å; F2074-F2108 AromaticContact CZ-CE2 3.9Å; F2074-F2108 HydrophobicContact CZ-CE2 3.9Å; F2074-F2108 AromaticContact CZ-CZ 3.84Å; F2074-F2108 HydrophobicContact CZ-CZ 3.84Å; F2074-L2171 HydrophobicContact CD2-CD2 3.89Å; F2074-L2171 HydrophobicContact CE2-CD2 3.67Å; F2074-L2174 HydrophobicContact CD1-CD2 4.14Å; F2074-L2174 HydrophobicContact CD2-CD2 4.46Å; F2074-L2174 HydrophobicContact CE1-CD2 3.56Å; F2074-L2174 HydrophobicContact CE1-CG 4.28Å; F2074-L2174 HydrophobicContact CE2-CD2 3.93Å; F2074-L2174 HydrophobicContact CZ-CD2 3.44Å; F2074-L2174 VanDerWaalsContact CZ-CD2 3.44Å; F2074-L2174 HydrophobicContact CZ-CG 4.03Å; F2074-F2175 HydrophobicContact CE2-CE1 4.1Å; F2074-F2175 HydrophobicContact CE2-CE2 4.01Å; F2074-F2175 AromaticContact CE2-CZ 3.55Å; F2074-F2175 HydrophobicContact CE2-CZ 3.55Å; F2074-F2175 HydrophobicContact CZ-CD1 4.29Å; F2074-F2175 AromaticContact CZ-CE1 3.57Å; F2074-F2175 HydrophobicContact CZ-CE1 3.57Å; F2074-F2175 HydrophobicContact CZ-CE2 4.23Å; F2074-F2175 AromaticContact CZ-CZ 3.53Å; F2074-F2175 HydrophobicContact CZ-CZ 3.53Å
2075	N	83.5	Confident	78.8	Confident	99 Å²	99	43.9 Å²	43.9	53%	0.529	21%	0.213	S	C	.	.	H	α-helix	trans	-66.1	-38.3	176.1	-78.6	-25.5	0	0	0	112.4	V2071 S2072 I2073 R2078 K2079	V2071-N2075 WeakPolarHBondContact CG1-ND2 3.37Å; V2071-N2075 VanDerWaalsContact O-CB 3.23Å; V2071-N2075 WeakPolarHBondContact O-CB 3.17Å; V2071-N2075 VanDerWaalsContact O-CG 3.28Å; V2071-N2075 PolarHBondContact O-N 3.04Å; V2071-N2075 PolarHBondContact O-ND2 3.23Å; S2072-N2075 PolarHBondContact O-N 3.07Å; I2073-N2075 PolarHBondContact O-N 2.94Å; N2075-R2078 PolarHBondContact O-N 3.43Å; N2075-K2079 VanDerWaalsContact O-CB 3.28Å; N2075-K2079 WeakPolarHBondContact O-CB 3.49Å; N2075-K2079 PolarHBondContact O-N 3.1Å
2076	Y	84.4	Confident	77.2	Confident	81 Å²	81	46.6 Å²	46.6	32%	0.318	24%	0.237	S	C	.	.	H	α-helix	trans	-69	-42.3	177.7	-167.5	-109.2	0	0	0	111.8	L2046 Y2049 S2072 I2073 K2079 S2080	L2046-Y2076 HydrophobicContact CD1-CD1 3.45Å; L2046-Y2076 VanDerWaalsContact CD1-CD1 3.45Å; L2046-Y2076 HydrophobicContact CD1-CE1 3.58Å; Y2049-Y2076 AromaticContact CD1-CD1 3.16Å; Y2049-Y2076 HydrophobicContact CD1-CD1 3.16Å; Y2049-Y2076 HydrophobicContact CD1-CD2 4.47Å; Y2049-Y2076 AromaticContact CD1-CE1 3.44Å; Y2049-Y2076 HydrophobicContact CD1-CE1 3.44Å; Y2049-Y2076 VanDerWaalsContact CD1-CE1 3.44Å; Y2049-Y2076 AromaticContact CD1-CG 3.74Å; Y2049-Y2076 HydrophobicContact CD1-CG 3.74Å; Y2049-Y2076 HydrophobicContact CD2-CE1 4.24Å; Y2049-Y2076 AromaticContact CE1-CD1 3.47Å; Y2049-Y2076 HydrophobicContact CE1-CD1 3.47Å; Y2049-Y2076 VanDerWaalsContact CE1-CD1 3.47Å; Y2049-Y2076 HydrophobicContact CE1-CD2 4.1Å; Y2049-Y2076 HydrophobicContact CE1-CE1 4.04Å; Y2049-Y2076 AromaticContact CE1-CG 3.51Å; Y2049-Y2076 HydrophobicContact CE1-CG 3.51Å; Y2049-Y2076 AromaticContact CG-CD1 3.81Å; Y2049-Y2076 HydrophobicContact CG-CD1 3.81Å; Y2049-Y2076 AromaticContact CG-CE1 3.54Å; Y2049-Y2076 HydrophobicContact CG-CE1 3.54Å; S2072-Y2076 VanDerWaalsContact O-CB 3.3Å; S2072-Y2076 WeakPolarHBondContact O-CB 3.49Å; S2072-Y2076 PolarHBondContact O-N 2.64Å; I2073-Y2076 PolarHBondContact O-N 2.89Å; Y2076-K2079 PolarHBondContact O-N 2.62Å; Y2076-S2080 PolarHBondContact O-N 3.39Å
2077	I	85.4	Confident	75.3	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63	-47.3	172.6	-61	165	0	0	0	110.5	L2046 V2050 I2073 K2079 S2080 I2081 Y2103 Y2104 V2107 F2108	L2046-I2077 HydrophobicContact CD1-CG1 4.25Å; V2050-I2077 HydrophobicContact CG2-CD1 4.04Å; V2050-I2077 HydrophobicContact CG2-CG1 4Å; I2073-I2077 HydrophobicContact CG2-CD1 3.88Å; I2073-I2077 WeakPolarHBondContact O-CG1 3.48Å; I2073-I2077 PolarHBondContact O-N 2.81Å; I2077-K2079 VanDerWaalsContact C-N 3.29Å; I2077-K2079 PolarHBondContact O-N 2.96Å; I2077-S2080 PolarHBondContact O-N 3.16Å; I2077-S2080 VanDerWaalsContact O-N 3.09Å; I2077-S2080 PolarHBondContact O-OG 2.78Å; I2077-I2081 HydrophobicContact CG2-CD1 4.18Å; I2077-I2081 WeakPolarHBondContact O-CG1 3.35Å; I2077-I2081 PolarHBondContact O-N 2.79Å; I2077-Y2103 HydrophobicContact CG2-CD1 4.11Å; I2077-Y2103 HydrophobicContact CG2-CE1 3.95Å; I2077-Y2104 HydrophobicContact CB-CD1 4.18Å; I2077-Y2104 HydrophobicContact CB-CE1 3.92Å; I2077-Y2104 HydrophobicContact CD1-CD1 4.23Å; I2077-Y2104 HydrophobicContact CG2-CD1 3.62Å; I2077-Y2104 HydrophobicContact CG2-CE1 3.62Å; I2077-V2107 HydrophobicContact CD1-CB 4.37Å; I2077-V2107 HydrophobicContact CD1-CG1 3.81Å; I2077-V2107 HydrophobicContact CG1-CG1 4.16Å; I2077-V2107 HydrophobicContact CG2-CG2 4.35Å; I2077-F2108 HydrophobicContact CD1-CE1 3.92Å; I2077-F2108 HydrophobicContact CD1-CZ 4.01Å
2078	R	80.9	Confident	73.4	Confident	79 Å²	79	56.3 Å²	56.3	30%	0.298	29%	0.286	S	S	.	.	H	α-helix	trans	-61.4	-36.1	177.4	-159	-176.6	179	163.7	1.5	111.5	E199 F2074 N2075 Y2082	E199-R2078 IonicContact OE1-CZ 2.78Å; E199-R2078 IonicContact OE1-NH1 2.89Å; E199-R2078 IonicContact OE1-NH2 2.8Å; E199-R2078 PolarHBondContact OE1-NH2 3.28Å; E199-R2078 VanDerWaalsContact OE1-NH2 3.16Å; F2074-R2078 VanDerWaalsContact O-CB 3.29Å; F2074-R2078 WeakPolarHBondContact O-CB 3.14Å; F2074-R2078 PolarHBondContact O-N 3Å; N2075-R2078 PolarHBondContact O-N 3.43Å; R2078-Y2082 HydrophobicContact CG-CD2 4.23Å; R2078-Y2082 HydrophobicContact CG-CE2 3.71Å; R2078-Y2082 WeakPolarHBondContact O-CD2 3.28Å; R2078-Y2082 PolarHBondContact O-N 2.74Å; R2078-Y2082 VanDerWaalsContact O-N 3.15Å
2079	K	81.5	Confident	71.3	Confident	101 Å²	101	62.7 Å²	62.7	44%	0.439	31%	0.314	S	S	.	.	H	α-helix	trans	-63.7	-45.7	171.8	-173.3	177.2	-179.9	-179.8	0	111.3	N2075 Y2076 I2077 I2081 Y2082 N2083	N2075-K2079 VanDerWaalsContact O-CB 3.28Å; N2075-K2079 WeakPolarHBondContact O-CB 3.49Å; N2075-K2079 PolarHBondContact O-N 3.1Å; Y2076-K2079 PolarHBondContact O-N 2.62Å; I2077-K2079 VanDerWaalsContact C-N 3.29Å; I2077-K2079 PolarHBondContact O-N 2.96Å; K2079-I2081 VanDerWaalsContact C-N 3.32Å; K2079-I2081 PolarHBondContact O-N 3.01Å; K2079-Y2082 PolarHBondContact O-N 3.15Å; K2079-Y2082 VanDerWaalsContact O-N 3.16Å; K2079-N2083 PolarHBondContact O-N 2.8Å; K2079-N2083 PolarHBondContact O-OD1 3.32Å; K2079-N2083 VanDerWaalsContact O-OD1 3.1Å
2080	S	78.9	Confident	69.3	Low	25 Å²	25	64.3 Å²	64.3	18%	0.175	32%	0.324	C	S	.	.	H	α-helix	trans	-61.1	-37.6	177.6	76.1	0	0	0	0	113	L2046 Y2076 I2077 N2083 L2084	L2046-S2080 WeakPolarHBondContact CD2-OG 3.49Å; Y2076-S2080 PolarHBondContact O-N 3.39Å; I2077-S2080 PolarHBondContact O-N 3.16Å; I2077-S2080 VanDerWaalsContact O-N 3.09Å; I2077-S2080 PolarHBondContact O-OG 2.78Å; S2080-N2083 CarbonylContact O-C 2.92Å; S2080-N2083 PolarHBondContact O-N 3.03Å; S2080-L2084 WeakPolarHBondContact O-CG 3.1Å; S2080-L2084 PolarHBondContact O-N 3.43Å
2081	I	76.8	Confident	67.6	Low	9 Å²	9	69.7 Å²	69.7	5%	0.046	35%	0.353	C	S	.	.	H	α-helix	trans	-65.5	-41.9	174.5	-61.9	166.9	0	0	0	111.2	I2077 K2079 L2084 K2085 L2095 L2100 Y2103	I2077-I2081 HydrophobicContact CG2-CD1 4.18Å; I2077-I2081 WeakPolarHBondContact O-CG1 3.35Å; I2077-I2081 PolarHBondContact O-N 2.79Å; K2079-I2081 VanDerWaalsContact C-N 3.32Å; K2079-I2081 PolarHBondContact O-N 3.01Å; I2081-L2084 PolarHBondContact O-N 2.66Å; I2081-K2085 PolarHBondContact O-N 3.26Å; I2081-L2095 HydrophobicContact CG2-CD2 3.91Å; I2081-L2100 HydrophobicContact CD1-CD1 3.48Å; I2081-L2100 VanDerWaalsContact CD1-CD1 3.48Å; I2081-Y2103 HydrophobicContact CD1-CD1 3.52Å; I2081-Y2103 HydrophobicContact CD1-CE1 3.87Å; I2081-Y2103 HydrophobicContact CD1-CG 4.22Å; I2081-Y2103 HydrophobicContact CG1-CD1 3.7Å; I2081-Y2103 HydrophobicContact CG1-CE1 3.54Å; I2081-Y2103 HydrophobicContact CG1-CG 4.41Å
2082	Y	71.6	Confident	65.9	Low	82 Å²	82	70.2 Å²	70.2	32%	0.322	36%	0.364	S	S	.	.	H	α-helix	trans	-65.8	-38.1	174.6	-74.1	-59.5	0	0	0	112.1	K193 R2078 K2079 L2084 K2085	K193-Y2082 HydrophobicContact CD-CE2 4.29Å; R2078-Y2082 HydrophobicContact CG-CD2 4.23Å; R2078-Y2082 HydrophobicContact CG-CE2 3.71Å; R2078-Y2082 WeakPolarHBondContact O-CD2 3.28Å; R2078-Y2082 PolarHBondContact O-N 2.74Å; R2078-Y2082 VanDerWaalsContact O-N 3.15Å; K2079-Y2082 PolarHBondContact O-N 3.15Å; K2079-Y2082 VanDerWaalsContact O-N 3.16Å; Y2082-L2084 VanDerWaalsContact C-N 3.26Å; Y2082-L2084 PolarHBondContact O-N 3.09Å; Y2082-K2085 PolarHBondContact O-N 3.4Å; Y2082-K2085 VanDerWaalsContact O-N 3.13Å
2083	N	67.6	Low	64.3	Low	92 Å²	92	74 Å²	74	49%	0.492	38%	0.38	S	S	.	.	H	α-helix	trans	-73.5	-10.7	175.5	-72.6	37.7	0	0	0	113.9	K2079 S2080 S2086	K2079-N2083 PolarHBondContact O-N 2.8Å; K2079-N2083 PolarHBondContact O-OD1 3.32Å; K2079-N2083 VanDerWaalsContact O-OD1 3.1Å; S2080-N2083 CarbonylContact O-C 2.92Å; S2080-N2083 PolarHBondContact O-N 3.03Å; N2083-S2086 PolarHBondContact O-OG 3.25Å; N2083-S2086 VanDerWaalsContact O-OG 3.07Å
2084	L	61.8	Low	62.7	Low	28 Å²	28	76.5 Å²	76.5	15%	0.147	40%	0.398	C	S	.	.	H	α-helix	trans	-88.5	-14	168.8	-77	164.9	0	0	0	112.2	I2039 A2040 S2080 I2081 Y2082	I2039-L2084 HydrophobicContact CG2-CD1 4.23Å; A2040-L2084 HydrophobicContact CB-CD2 4.24Å; S2080-L2084 WeakPolarHBondContact O-CG 3.1Å; S2080-L2084 PolarHBondContact O-N 3.43Å; I2081-L2084 PolarHBondContact O-N 2.66Å; Y2082-L2084 VanDerWaalsContact C-N 3.26Å; Y2082-L2084 PolarHBondContact O-N 3.09Å
2085	K	53.2	Low	61.5	Low	50 Å²	50	77.3 Å²	77.3	22%	0.217	40%	0.403	C	S	.	.	S	Bend	trans	-91.1	-4.8	178.1	-74.5	-171	164.3	-139.6	0	114.4	I2081 Y2082 D2087 D2091 A2092 S2094	I2081-K2085 PolarHBondContact O-N 3.26Å; Y2082-K2085 PolarHBondContact O-N 3.4Å; Y2082-K2085 VanDerWaalsContact O-N 3.13Å; K2085-D2087 VanDerWaalsContact C-N 3.35Å; K2085-D2091 PolarHBondContact NZ-O 2.85Å; K2085-D2091 VanDerWaalsContact NZ-O 3.1Å; K2085-A2092 PolarHBondContact NZ-O 3.45Å; K2085-S2094 PolarHBondContact NZ-OG 2.87Å; K2085-S2094 VanDerWaalsContact NZ-OG 3.15Å
2086	S	48.2	Very low	60.5	Low	92 Å²	92	74.7 Å²	74.7	64%	0.643	39%	0.392	S	S	*	.	S	Bend	trans	-75.9	-27.9	165.9	42.6	0	0	0	0	112.2	N2083	N2083-S2086 PolarHBondContact O-OG 3.25Å; N2083-S2086 VanDerWaalsContact O-OG 3.07Å
2087	D	45.7	Very low	59.6	Low	111 Å²	111	73.6 Å²	73.6	59%	0.594	39%	0.394	S	S	*	.	S	Bend	trans	-98	-7.5	-165.5	-53.2	4.1	0	0	0	112.1	K2085	K2085-D2087 VanDerWaalsContact C-N 3.35Å
2088	Q	42.7	Very low	58.5	Low	94 Å²	94	80.5 Å²	80.5	44%	0.439	43%	0.427	S	S	.	.	S	Bend	trans	-142	135.9	174	-72	-174.3	-11.8	0	0	110.5	P2038 L2090	P2038-Q2088 PolarHBondContact O-OE1 3.48Å; Q2088-L2090 VanDerWaalsContact C-N 3.29Å; Q2088-L2090 HydrophobicContact CB-CD1 4.48Å; Q2088-L2090 PolarHBondContact O-N 3.19Å
2089	E	35.8	Very low	58.1	Low	207 Å²	207	77.1 Å²	77.1	97%	0.967	41%	0.414	S	S	*	.			trans	-72.6	73.4	-173.2	-166.5	173.2	-139.6	0	0	112.5
2090	L	44.5	Very low	57.7	Low	59 Å²	59	74 Å²	74	31%	0.309	40%	0.402	S	S	.	.			trans	-127.3	107.8	-175.7	-85.7	162.8	0	0	0	112.5	P2038 Q2088	P2038-L2090 HydrophobicContact CG-CD1 3.68Å; Q2088-L2090 VanDerWaalsContact C-N 3.29Å; Q2088-L2090 HydrophobicContact CB-CD1 4.48Å; Q2088-L2090 PolarHBondContact O-N 3.19Å
2091	D	46.4	Very low	57.4	Low	122 Å²	122	74.9 Å²	74.9	65%	0.652	40%	0.403	S	S	*	.			trans	-38.4	134.9	-175.4	-156.6	-22.1	0	0	0	113.1	K2085 N2093 S2094	K2085-D2091 PolarHBondContact NZ-O 2.85Å; K2085-D2091 VanDerWaalsContact NZ-O 3.1Å; D2091-N2093 PolarHBondContact O-N 2.76Å; D2091-S2094 VanDerWaalsContact O-CB 3.27Å; D2091-S2094 WeakPolarHBondContact O-CB 3.34Å; D2091-S2094 PolarHBondContact O-N 2.94Å; D2091-S2094 PolarHBondContact O-OG 3.2Å
2092	A	44.1	Very low	57.1	Low	76 Å²	76	74.9 Å²	74.9	63%	0.628	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-30.9	-167.1	0	0	0	0	0	112.7	K2085	K2085-A2092 PolarHBondContact NZ-O 3.45Å
2093	N	47.9	Very low	57.5	Low	128 Å²	128	71 Å²	71	68%	0.684	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-3.7	-178.7	-58.9	-66	0	0	0	115	D2091 L2095	D2091-N2093 PolarHBondContact O-N 2.76Å; N2093-L2095 PolarHBondContact O-N 2.81Å
2094	S	50.9	Low	58.1	Low	55 Å²	55	67.6 Å²	67.6	39%	0.385	37%	0.37	S	S	.	.			trans	-71.3	-24.3	-169	56.8	0	0	0	0	116.1	K2085 D2091 S2096	K2085-S2094 PolarHBondContact NZ-OG 2.87Å; K2085-S2094 VanDerWaalsContact NZ-OG 3.15Å; D2091-S2094 VanDerWaalsContact O-CB 3.27Å; D2091-S2094 WeakPolarHBondContact O-CB 3.34Å; D2091-S2094 PolarHBondContact O-N 2.94Å; D2091-S2094 PolarHBondContact O-OG 3.2Å; S2094-S2096 PolarHBondContact O-N 3.1Å
2095	L	59.2	Low	58.7	Low	34 Å²	34	66.4 Å²	66.4	18%	0.178	36%	0.364	C	S	.	.	S	Bend	trans	-77.5	113	-174.7	-170.6	71.2	0	0	0	109.3	A2037 I2039 I2081 N2093 D2099 L2100	A2037-L2095 HydrophobicContact CB-CD1 4.05Å; I2039-L2095 HydrophobicContact CD1-CD1 3.65Å; I2081-L2095 HydrophobicContact CG2-CD2 3.91Å; N2093-L2095 PolarHBondContact O-N 2.81Å; L2095-D2099 HydrophobicContact CD1-CB 3.36Å; L2095-D2099 HydrophobicContact CG-CB 3.97Å; L2095-L2100 HydrophobicContact CD2-CB 4.14Å; L2095-L2100 HydrophobicContact CD2-CD1 4.16Å
2096	S	63.7	Low	59.8	Low	44 Å²	44	64.2 Å²	64.2	31%	0.308	36%	0.355	S	S	.	.			trans	-66.2	161.3	178.7	80.3	0	0	0	0	110.5	S2094 E2098 D2099 L2100	S2094-S2096 PolarHBondContact O-N 3.1Å; S2096-E2098 PolarHBondContact O-N 3.04Å; S2096-E2098 PolarHBondContact OG-N 3.39Å; S2096-D2099 WeakPolarHBondContact CA-OD2 3.38Å; S2096-D2099 WeakPolarHBondContact CB-OD2 3.49Å; S2096-D2099 PolarHBondContact N-OD2 2.83Å; S2096-D2099 PolarHBondContact O-N 3.48Å; S2096-D2099 PolarHBondContact OG-N 3.34Å; S2096-D2099 VanDerWaalsContact OG-N 3.1Å; S2096-D2099 PolarHBondContact OG-OD2 3.34Å; S2096-L2100 PolarHBondContact O-N 3.14Å
2097	T	64.9	Low	61.4	Low	58 Å²	58	59.8 Å²	59.8	36%	0.356	32%	0.324	S	S	.	.	H	α-helix	trans	-64.3	-23.7	173.3	-25.6	0	0	0	0	111.4	K198 H2101	K198-T2097 PolarHBondContact NZ-OG1 3.39Å; T2097-H2101 PolarHBondContact O-N 3.39Å; T2097-H2101 PolarHBondContact O-ND1 3.02Å
2098	E	63	Low	63.1	Low	145 Å²	145	54.6 Å²	54.6	68%	0.678	30%	0.296	S	S	*	.	H	α-helix	trans	-75.8	-43.8	-177.5	-67.9	168.3	-163.6	0	0	110	S2096 L2100 H2101 A2102	S2096-E2098 PolarHBondContact O-N 3.04Å; S2096-E2098 PolarHBondContact OG-N 3.39Å; E2098-L2100 VanDerWaalsContact C-N 3.33Å; E2098-L2100 PolarHBondContact O-N 3.31Å; E2098-H2101 PolarHBondContact O-N 3.26Å; E2098-A2102 PolarHBondContact O-N 3.48Å
2099	D	70.8	Confident	64.7	Low	8 Å²	8	50.1 Å²	50.1	4%	0.043	28%	0.275	C	S	.	.	H	α-helix	trans	-55.8	-43.7	170.8	-58.2	-58.8	0	0	0	112.6	I2035 Q2036 L2095 S2096 H2101 A2102 Y2103	I2035-D2099 WeakPolarHBondContact CA-OD1 3.22Å; I2035-D2099 HydrophobicContact CG2-CB 4.13Å; Q2036-D2099 PolarHBondContact N-OD1 3.29Å; L2095-D2099 HydrophobicContact CD1-CB 3.36Å; L2095-D2099 HydrophobicContact CG-CB 3.97Å; S2096-D2099 WeakPolarHBondContact CA-OD2 3.38Å; S2096-D2099 WeakPolarHBondContact CB-OD2 3.49Å; S2096-D2099 PolarHBondContact N-OD2 2.83Å; S2096-D2099 PolarHBondContact O-N 3.48Å; S2096-D2099 PolarHBondContact OG-N 3.34Å; S2096-D2099 VanDerWaalsContact OG-N 3.1Å; S2096-D2099 PolarHBondContact OG-OD2 3.34Å; D2099-H2101 PolarHBondContact O-N 2.9Å; D2099-A2102 PolarHBondContact O-N 2.91Å; D2099-Y2103 PolarHBondContact O-N 2.72Å
2100	L	73.4	Confident	66.6	Low	35 Å²	35	43.3 Å²	43.3	18%	0.183	24%	0.24	C	C	.	.	H	α-helix	trans	-65.2	-38.4	-178.8	179.9	60.9	0	0	0	112	I2081 L2095 S2096 E2098 Y2104	I2081-L2100 HydrophobicContact CD1-CD1 3.48Å; I2081-L2100 VanDerWaalsContact CD1-CD1 3.48Å; L2095-L2100 HydrophobicContact CD2-CB 4.14Å; L2095-L2100 HydrophobicContact CD2-CD1 4.16Å; S2096-L2100 PolarHBondContact O-N 3.14Å; E2098-L2100 VanDerWaalsContact C-N 3.33Å; E2098-L2100 PolarHBondContact O-N 3.31Å; L2100-Y2104 HydrophobicContact CD1-CD2 4.28Å; L2100-Y2104 HydrophobicContact CD1-CE2 3.75Å; L2100-Y2104 HydrophobicContact CD2-CE2 4.1Å; L2100-Y2104 HydrophobicContact CG-CD2 4.08Å; L2100-Y2104 HydrophobicContact CG-CE2 3.6Å; L2100-Y2104 WeakPolarHBondContact O-CD2 3.31Å; L2100-Y2104 PolarHBondContact O-N 2.82Å
2101	H	72.4	Confident	68.3	Low	43 Å²	43	41 Å²	41	20%	0.199	23%	0.229	C	C	.	.	H	α-helix	trans	-68.8	-39.9	173.3	-71.7	98.5	0	0	0	111.7	T2097 E2098 D2099 Y2103 Y2104 A2105 L2178 I2181	T2097-H2101 PolarHBondContact O-N 3.39Å; T2097-H2101 PolarHBondContact O-ND1 3.02Å; E2098-H2101 PolarHBondContact O-N 3.26Å; D2099-H2101 PolarHBondContact O-N 2.9Å; H2101-Y2103 VanDerWaalsContact C-N 3.34Å; H2101-Y2103 PolarHBondContact O-N 2.82Å; H2101-Y2104 PolarHBondContact O-N 2.8Å; H2101-A2105 VanDerWaalsContact O-CB 3.32Å; H2101-A2105 WeakPolarHBondContact O-CB 3.27Å; H2101-A2105 PolarHBondContact O-N 2.86Å; H2101-L2178 HydrophobicContact CB-CD2 4.05Å; H2101-L2178 WeakPolarHBondContact O-CD2 3.35Å; H2101-I2181 HydrophobicContact CB-CD1 3.56Å
2102	A	71.9	Confident	69.7	Low	10 Å²	10	36.3 Å²	36.3	8%	0.083	21%	0.21	C	C	.	.	H	α-helix	trans	-60.9	-42.5	175.7	0	0	0	0	0	111.6	I2035 E2098 D2099 A2105 W2106	I2035-A2102 HydrophobicContact CD1-CB 4.15Å; I2035-A2102 HydrophobicContact CG1-CB 3.65Å; E2098-A2102 PolarHBondContact O-N 3.48Å; D2099-A2102 PolarHBondContact O-N 2.91Å; A2102-A2105 PolarHBondContact O-N 3.08Å; A2102-W2106 WeakPolarHBondContact O-CB 3.48Å; A2102-W2106 PolarHBondContact O-N 3.48Å
2103	Y	79.4	Confident	71.1	Confident	1 Å²	1	33.1 Å²	33.1	0%	0.004	18%	0.182	C	C	.	.	H	α-helix	trans	-66.3	-44	175.6	-169.2	-85.8	0	0	0	112.9	I2039 P2042 I2077 I2081 D2099 H2101 A2105 W2106 V2107	I2039-Y2103 HydrophobicContact CD1-CD2 4.17Å; I2039-Y2103 HydrophobicContact CG2-CD2 3.98Å; I2039-Y2103 HydrophobicContact CG2-CE2 3.69Å; P2042-Y2103 HydrophobicContact CG-CE2 4.17Å; I2077-Y2103 HydrophobicContact CG2-CD1 4.11Å; I2077-Y2103 HydrophobicContact CG2-CE1 3.95Å; I2081-Y2103 HydrophobicContact CD1-CD1 3.52Å; I2081-Y2103 HydrophobicContact CD1-CE1 3.87Å; I2081-Y2103 HydrophobicContact CD1-CG 4.22Å; I2081-Y2103 HydrophobicContact CG1-CD1 3.7Å; I2081-Y2103 HydrophobicContact CG1-CE1 3.54Å; I2081-Y2103 HydrophobicContact CG1-CG 4.41Å; D2099-Y2103 PolarHBondContact O-N 2.72Å; H2101-Y2103 VanDerWaalsContact C-N 3.34Å; H2101-Y2103 PolarHBondContact O-N 2.82Å; Y2103-A2105 VanDerWaalsContact C-N 3.29Å; Y2103-A2105 PolarHBondContact O-N 3Å; Y2103-W2106 HydrophobicContact CD2-CE3 4.04Å; Y2103-W2106 HydrophobicContact CD2-CZ3 4.41Å; Y2103-W2106 HydrophobicContact CE2-CE3 4.28Å; Y2103-W2106 HydrophobicContact CE2-CZ3 4.43Å; Y2103-W2106 PolarHBondContact O-N 2.64Å; Y2103-V2107 HydrophobicContact CD1-CG2 4Å; Y2103-V2107 HydrophobicContact CE1-CG2 3.67Å; Y2103-V2107 WeakPolarHBondContact O-CG2 3.08Å; Y2103-V2107 PolarHBondContact O-N 2.88Å
2104	Y	80.4	Confident	71.9	Confident	19 Å²	19	27.5 Å²	27.5	8%	0.075	15%	0.152	C	C	.	.	H	α-helix	trans	-57.3	-44.5	172.7	-75.8	-48.4	0	0	0	111.6	F2074 I2077 L2100 H2101 W2106 V2107 F2108	F2074-Y2104 AromaticContact CD1-CD1 3.97Å; F2074-Y2104 HydrophobicContact CD1-CD1 3.97Å; F2074-Y2104 AromaticContact CD1-CE1 3.7Å; F2074-Y2104 HydrophobicContact CD1-CE1 3.7Å; F2074-Y2104 HydrophobicContact CD1-CE2 4.44Å; F2074-Y2104 HydrophobicContact CD1-CG 4.5Å; F2074-Y2104 AromaticContact CD1-CZ 3.96Å; F2074-Y2104 HydrophobicContact CE1-CD1 4.14Å; F2074-Y2104 HydrophobicContact CE1-CE1 4.31Å; F2074-Y2104 HydrophobicContact CE1-CG 4.31Å; I2077-Y2104 HydrophobicContact CB-CD1 4.18Å; I2077-Y2104 HydrophobicContact CB-CE1 3.92Å; I2077-Y2104 HydrophobicContact CD1-CD1 4.23Å; I2077-Y2104 HydrophobicContact CG2-CD1 3.62Å; I2077-Y2104 HydrophobicContact CG2-CE1 3.62Å; L2100-Y2104 HydrophobicContact CD1-CD2 4.28Å; L2100-Y2104 HydrophobicContact CD1-CE2 3.75Å; L2100-Y2104 HydrophobicContact CD2-CE2 4.1Å; L2100-Y2104 HydrophobicContact CG-CD2 4.08Å; L2100-Y2104 HydrophobicContact CG-CE2 3.6Å; L2100-Y2104 WeakPolarHBondContact O-CD2 3.31Å; L2100-Y2104 PolarHBondContact O-N 2.82Å; H2101-Y2104 PolarHBondContact O-N 2.8Å; Y2104-W2106 VanDerWaalsContact C-N 3.34Å; Y2104-W2106 PolarHBondContact O-N 3.26Å; Y2104-V2107 PolarHBondContact O-N 3Å; Y2104-F2108 WeakPolarHBondContact O-CD2 3.46Å; Y2104-F2108 WeakPolarHBondContact O-CG 3.48Å; Y2104-F2108 PolarHBondContact O-N 2.91Å
2105	A	73.8	Confident	72.3	Confident	3 Å²	3	25.9 Å²	25.9	3%	0.025	14%	0.139	C	C	.	.	H	α-helix	trans	-65.6	-37.4	179.9	0	0	0	0	0	112.1	H2101 A2102 Y2103 F2108 A2109 L2114 L2178 W2182	H2101-A2105 VanDerWaalsContact O-CB 3.32Å; H2101-A2105 WeakPolarHBondContact O-CB 3.27Å; H2101-A2105 PolarHBondContact O-N 2.86Å; A2102-A2105 PolarHBondContact O-N 3.08Å; Y2103-A2105 VanDerWaalsContact C-N 3.29Å; Y2103-A2105 PolarHBondContact O-N 3Å; A2105-F2108 PolarHBondContact O-N 2.77Å; A2105-A2109 WeakPolarHBondContact O-CB 3.42Å; A2105-A2109 PolarHBondContact O-N 3.29Å; A2105-L2114 WeakPolarHBondContact O-CD1 3.25Å; A2105-L2178 HydrophobicContact CB-CD2 3.96Å; A2105-W2182 HydrophobicContact CB-CE3 3.76Å; A2105-W2182 HydrophobicContact CB-CZ3 3.73Å; A2105-W2182 WeakPolarHBondContact O-CZ3 3.14Å
2106	W	76.3	Confident	72	Confident	4 Å²	4	27 Å²	27	2%	0.015	15%	0.147	C	C	.	.	H	α-helix	trans	-63.7	-45.3	174.9	-170.5	24.9	0	0	0	112.3	I2028 A2030 L2033 I2035 P2041 P2042 A2102 Y2103 Y2104 F2108 A2109 R2110	I2028-W2106 WeakPolarHBondContact O-CZ2 3.12Å; A2030-W2106 HydrophobicContact CB-CH2 4.38Å; A2030-W2106 HydrophobicContact CB-CZ3 4.17Å; L2033-W2106 HydrophobicContact CD1-CB 3.7Å; L2033-W2106 HydrophobicContact CD1-CD2 3.31Å; L2033-W2106 HydrophobicContact CD1-CE3 3.73Å; L2033-W2106 HydrophobicContact CD1-CG 3.34Å; L2033-W2106 HydrophobicContact CD1-CZ2 4.3Å; L2033-W2106 HydrophobicContact CD1-CZ3 4.35Å; I2035-W2106 HydrophobicContact CD1-CE3 4.3Å; P2041-W2106 VanDerWaalsContact CA-CH2 3.48Å; P2041-W2106 HydrophobicContact CB-CH2 3.7Å; P2041-W2106 HydrophobicContact CB-CZ2 3.95Å; P2042-W2106 HydrophobicContact CG-CD2 3.98Å; P2042-W2106 HydrophobicContact CG-CE3 3.91Å; P2042-W2106 HydrophobicContact CG-CG 4.42Å; P2042-W2106 HydrophobicContact CG-CZ3 4.4Å; A2102-W2106 WeakPolarHBondContact O-CB 3.48Å; A2102-W2106 PolarHBondContact O-N 3.48Å; Y2103-W2106 HydrophobicContact CD2-CE3 4.04Å; Y2103-W2106 HydrophobicContact CD2-CZ3 4.41Å; Y2103-W2106 HydrophobicContact CE2-CE3 4.28Å; Y2103-W2106 HydrophobicContact CE2-CZ3 4.43Å; Y2103-W2106 PolarHBondContact O-N 2.64Å; Y2104-W2106 VanDerWaalsContact C-N 3.34Å; Y2104-W2106 PolarHBondContact O-N 3.26Å; W2106-F2108 PolarHBondContact O-N 2.96Å; W2106-A2109 PolarHBondContact O-N 2.81Å; W2106-R2110 WeakPolarHBondContact O-CG 3.45Å; W2106-R2110 PolarHBondContact O-N 2.58Å
2107	V	82.7	Confident	70.8	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-59.1	-48.4	174.3	175.7	0	0	0	0	110.4	P2042 L2046 V2050 I2077 Y2103 Y2104 A2109 R2110 S2111	P2042-V2107 HydrophobicContact CB-CG2 3.94Å; P2042-V2107 HydrophobicContact CG-CG2 3.85Å; L2046-V2107 HydrophobicContact CD2-CG1 4.3Å; L2046-V2107 HydrophobicContact CD2-CG2 3.89Å; V2050-V2107 HydrophobicContact CG1-CG1 4.49Å; V2050-V2107 HydrophobicContact CG2-CG1 4.2Å; I2077-V2107 HydrophobicContact CD1-CB 4.37Å; I2077-V2107 HydrophobicContact CD1-CG1 3.81Å; I2077-V2107 HydrophobicContact CG1-CG1 4.16Å; I2077-V2107 HydrophobicContact CG2-CG2 4.35Å; Y2103-V2107 HydrophobicContact CD1-CG2 4Å; Y2103-V2107 HydrophobicContact CE1-CG2 3.67Å; Y2103-V2107 WeakPolarHBondContact O-CG2 3.08Å; Y2103-V2107 PolarHBondContact O-N 2.88Å; Y2104-V2107 PolarHBondContact O-N 3Å; V2107-A2109 VanDerWaalsContact C-N 3.32Å; V2107-A2109 PolarHBondContact O-N 3.17Å; V2107-R2110 PolarHBondContact O-N 2.8Å; V2107-S2111 WeakPolarHBondContact O-CB 3.47Å; V2107-S2111 PolarHBondContact O-N 3.05Å; V2107-S2111 PolarHBondContact O-OG 3.28Å; V2107-S2111 VanDerWaalsContact O-OG 3.11Å
2108	F	81.9	Confident	69.5	Low	2 Å²	2	27.6 Å²	27.6	1%	0.009	15%	0.149	C	C	.	.	H	α-helix	trans	-69.4	-24.7	-180	-63.5	-42.9	0	0	0	114.4	V2050 I2073 F2074 I2077 Y2104 A2105 W2106 S2111 L2113 L2114 F2175 L2178	V2050-F2108 HydrophobicContact CG1-CD1 4.18Å; V2050-F2108 HydrophobicContact CG1-CE1 4.13Å; I2073-F2108 HydrophobicContact CG2-CE1 3.65Å; I2073-F2108 HydrophobicContact CG2-CZ 3.95Å; F2074-F2108 HydrophobicContact CD1-CZ 4.34Å; F2074-F2108 AromaticContact CE1-CE2 3.67Å; F2074-F2108 HydrophobicContact CE1-CE2 3.67Å; F2074-F2108 AromaticContact CE1-CZ 3.66Å; F2074-F2108 HydrophobicContact CE1-CZ 3.66Å; F2074-F2108 AromaticContact CZ-CE2 3.9Å; F2074-F2108 HydrophobicContact CZ-CE2 3.9Å; F2074-F2108 AromaticContact CZ-CZ 3.84Å; F2074-F2108 HydrophobicContact CZ-CZ 3.84Å; I2077-F2108 HydrophobicContact CD1-CE1 3.92Å; I2077-F2108 HydrophobicContact CD1-CZ 4.01Å; Y2104-F2108 WeakPolarHBondContact O-CD2 3.46Å; Y2104-F2108 WeakPolarHBondContact O-CG 3.48Å; Y2104-F2108 PolarHBondContact O-N 2.91Å; A2105-F2108 PolarHBondContact O-N 2.77Å; W2106-F2108 PolarHBondContact O-N 2.96Å; F2108-S2111 WeakPolarHBondContact CA-OG 3.24Å; F2108-S2111 PolarHBondContact O-OG 2.86Å; F2108-L2113 HydrophobicContact CB-CB 4.42Å; F2108-L2113 HydrophobicContact CD1-CD1 4.17Å; F2108-L2113 PolarHBondContact O-N 2.95Å; F2108-L2114 HydrophobicContact CB-CD1 4.31Å; F2108-L2114 HydrophobicContact CB-CD2 4.01Å; F2108-L2114 HydrophobicContact CB-CG 3.77Å; F2108-L2114 PolarHBondContact O-N 2.76Å; F2108-L2114 VanDerWaalsContact O-N 3.08Å; F2108-F2175 HydrophobicContact CD2-CE1 4.3Å; F2108-F2175 HydrophobicContact CE2-CD1 4.43Å; F2108-F2175 AromaticContact CE2-CE1 3.72Å; F2108-F2175 HydrophobicContact CE2-CE1 3.72Å; F2108-F2175 AromaticContact CZ-CE1 3.93Å; F2108-F2175 HydrophobicContact CZ-CE1 3.93Å; F2108-L2178 HydrophobicContact CD2-CD1 4.01Å; F2108-L2178 HydrophobicContact CE2-CD1 3.82Å
2109	A	75.6	Confident	67.9	Low	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-69.4	-54.4	169.9	0	0	0	0	0	110.7	V2020 C2024 A2105 W2106 V2107 S2111 G2112 L2114 W2182	V2020-A2109 HydrophobicContact CG1-CB 4.45Å; C2024-A2109 PolarHBondContact SG-O 3.4Å; A2105-A2109 WeakPolarHBondContact O-CB 3.42Å; A2105-A2109 PolarHBondContact O-N 3.29Å; W2106-A2109 PolarHBondContact O-N 2.81Å; V2107-A2109 VanDerWaalsContact C-N 3.32Å; V2107-A2109 PolarHBondContact O-N 3.17Å; A2109-S2111 VanDerWaalsContact C-N 3.26Å; A2109-S2111 PolarHBondContact O-N 2.84Å; A2109-G2112 PolarHBondContact O-N 2.93Å; A2109-L2114 HydrophobicContact CB-CD1 4.18Å; A2109-W2182 HydrophobicContact CB-CH2 3.48Å; A2109-W2182 VanDerWaalsContact CB-CH2 3.48Å; A2109-W2182 HydrophobicContact CB-CZ2 4.34Å; A2109-W2182 HydrophobicContact CB-CZ3 4.03Å
2110	R	76.4	Confident	65.8	Low	63 Å²	63	30.9 Å²	30.9	24%	0.238	18%	0.177	C	C	.	.	H	α-helix	trans	-63.6	-30	-178.5	-65.4	-173.7	67.1	70.4	9.2	113.1	C2024 I2047 W2106 V2107 G2112	C2024-R2110 PolarHBondContact O-NH1 3.34Å; I2047-R2110 HydrophobicContact CD1-CB 3.79Å; I2047-R2110 HydrophobicContact CG1-CB 4.32Å; W2106-R2110 WeakPolarHBondContact O-CG 3.45Å; W2106-R2110 PolarHBondContact O-N 2.58Å; V2107-R2110 PolarHBondContact O-N 2.8Å; R2110-G2112 PolarHBondContact O-N 3.05Å
2111	S	79.2	Confident	63.4	Low	10 Å²	10	33.9 Å²	33.9	7%	0.07	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	8	173	72.1	0	0	0	0	114.1	V2107 F2108 A2109 L2113	V2107-S2111 WeakPolarHBondContact O-CB 3.47Å; V2107-S2111 PolarHBondContact O-N 3.05Å; V2107-S2111 PolarHBondContact O-OG 3.28Å; V2107-S2111 VanDerWaalsContact O-OG 3.11Å; F2108-S2111 WeakPolarHBondContact CA-OG 3.24Å; F2108-S2111 PolarHBondContact O-OG 2.86Å; A2109-S2111 VanDerWaalsContact C-N 3.26Å; A2109-S2111 PolarHBondContact O-N 2.84Å; S2111-L2113 WeakPolarHBondContact O-CG 3.02Å; S2111-L2113 PolarHBondContact O-N 3.13Å; S2111-L2113 VanDerWaalsContact O-N 3.11Å; S2111-L2113 WeakPolarHBondContact OG-CD1 3.27Å; S2111-L2113 VanDerWaalsContact OG-CG 3.25Å; S2111-L2113 WeakPolarHBondContact OG-CG 3.27Å
2112	G	74.9	Confident	61.1	Low	24 Å²	24	35.8 Å²	35.8	25%	0.247	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.5	5	-179.8	0	0	0	0	0	115.2	A2109 R2110 L2115	A2109-G2112 PolarHBondContact O-N 2.93Å; R2110-G2112 PolarHBondContact O-N 3.05Å; G2112-L2115 CarbonylContact O-C 3.59Å; G2112-L2115 PolarHBondContact O-N 3Å; G2112-L2115 VanDerWaalsContact O-O 3.08Å
2113	L	74.4	Confident	58.9	Low	9 Å²	9	39.7 Å²	39.7	5%	0.047	23%	0.229	C	C	.	.	S	Bend	trans	-81.7	-18	-170.1	-65.9	-172.3	0	0	0	114	V2050 Y2054 F2108 S2111 P2147 V2148	V2050-L2113 HydrophobicContact CG1-CD1 3.69Å; Y2054-L2113 HydrophobicContact CD1-CD1 4.43Å; Y2054-L2113 HydrophobicContact CD1-CD2 3.22Å; Y2054-L2113 HydrophobicContact CD1-CG 4.44Å; Y2054-L2113 HydrophobicContact CD2-CD1 3.77Å; Y2054-L2113 HydrophobicContact CD2-CD2 3.85Å; Y2054-L2113 HydrophobicContact CD2-CG 4.38Å; Y2054-L2113 HydrophobicContact CE1-CD2 3.7Å; Y2054-L2113 HydrophobicContact CE2-CD2 4.25Å; Y2054-L2113 HydrophobicContact CG-CD1 3.66Å; Y2054-L2113 HydrophobicContact CG-CD2 3.33Å; Y2054-L2113 HydrophobicContact CG-CG 4.13Å; F2108-L2113 HydrophobicContact CB-CB 4.42Å; F2108-L2113 HydrophobicContact CD1-CD1 4.17Å; F2108-L2113 PolarHBondContact O-N 2.95Å; S2111-L2113 WeakPolarHBondContact O-CG 3.02Å; S2111-L2113 PolarHBondContact O-N 3.13Å; S2111-L2113 VanDerWaalsContact O-N 3.11Å; S2111-L2113 WeakPolarHBondContact OG-CD1 3.27Å; S2111-L2113 VanDerWaalsContact OG-CG 3.25Å; S2111-L2113 WeakPolarHBondContact OG-CG 3.27Å; L2113-P2147 WeakPolarHBondContact O-CD 3.4Å; L2113-V2148 HydrophobicContact CB-CG2 3.81Å; L2113-V2148 WeakPolarHBondContact O-CB 3.43Å; L2113-V2148 WeakPolarHBondContact O-CG2 3.35Å; L2113-V2148 PolarHBondContact O-N 2.87Å
2114	L	65.2	Low	56.3	Low	10 Å²	10	44.3 Å²	44.3	5%	0.052	25%	0.25	C	S	.	.	S	Bend	trans	-82.8	-29.6	168.1	-63.8	-176.3	0	0	0	113.1	A2105 F2108 A2109 C2146 W2182	A2105-L2114 WeakPolarHBondContact O-CD1 3.25Å; F2108-L2114 HydrophobicContact CB-CD1 4.31Å; F2108-L2114 HydrophobicContact CB-CD2 4.01Å; F2108-L2114 HydrophobicContact CB-CG 3.77Å; F2108-L2114 PolarHBondContact O-N 2.76Å; F2108-L2114 VanDerWaalsContact O-N 3.08Å; A2109-L2114 HydrophobicContact CB-CD1 4.18Å; L2114-C2146 WeakPolarHBondContact O-CA 3.43Å; L2114-C2146 WeakPolarHBondContact O-CB 3.3Å; L2114-C2146 PolarHBondContact O-SG 3.3Å; L2114-W2182 HydrophobicContact CD1-CD2 4.28Å; L2114-W2182 HydrophobicContact CD1-CE3 3.7Å; L2114-W2182 HydrophobicContact CD1-CH2 4.25Å; L2114-W2182 HydrophobicContact CD1-CZ3 3.68Å
2115	L	59.7	Low	53.7	Low	21 Å²	21	47.6 Å²	47.6	11%	0.11	27%	0.269	C	S	.	.			trans	-149.8	119.9	176.7	-65	-173.9	0	0	0	112.2	L2013 L2016 Q2017 V2020 G2112 I2144 I2145	L2013-L2115 HydrophobicContact CD2-CD2 3.33Å; L2013-L2115 HydrophobicContact CG-CD2 3.93Å; L2016-L2115 HydrophobicContact CD2-CD2 3.66Å; L2016-L2115 HydrophobicContact CD2-CG 4.49Å; L2016-L2115 HydrophobicContact CG-CD1 4.41Å; L2016-L2115 HydrophobicContact CG-CD2 4.19Å; Q2017-L2115 HydrophobicContact CB-CD1 4.28Å; V2020-L2115 HydrophobicContact CB-CD1 3.48Å; V2020-L2115 VanDerWaalsContact CB-CD1 3.48Å; V2020-L2115 HydrophobicContact CB-CG 4.07Å; V2020-L2115 HydrophobicContact CG1-CB 4.13Å; V2020-L2115 HydrophobicContact CG1-CD1 3.79Å; V2020-L2115 HydrophobicContact CG1-CG 3.99Å; V2020-L2115 HydrophobicContact CG2-CD1 3.68Å; V2020-L2115 HydrophobicContact CG2-CG 3.91Å; G2112-L2115 CarbonylContact O-C 3.59Å; G2112-L2115 PolarHBondContact O-N 3Å; G2112-L2115 VanDerWaalsContact O-O 3.08Å; L2115-I2144 HydrophobicContact CB-CG2 3.69Å; L2115-I2144 HydrophobicContact CD1-CG2 4.14Å; L2115-I2144 HydrophobicContact CD2-CG2 3.64Å; L2115-I2144 HydrophobicContact CG-CG2 4.01Å; L2115-I2145 CarbonylContact C-O 3.07Å; L2115-I2145 WeakPolarHBondContact CA-O 3.49Å
2116	T	52.2	Low	51.5	Low	58 Å²	58	55.4 Å²	55.4	36%	0.356	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	124.9	160.9	46.3	0	0	0	0	110.1	L2118 I2144 I2145 P2147	T2116-L2118 PolarHBondContact O-N 3.19Å; T2116-I2144 WeakPolarHBondContact O-CA 3.11Å; T2116-I2144 WeakPolarHBondContact O-CG2 3.4Å; T2116-I2145 PolarHBondContact N-O 2.64Å; T2116-I2145 PolarHBondContact O-N 3.14Å; T2116-P2147 HydrophobicContact CG2-CG 3.55Å; T2116-P2147 WeakPolarHBondContact OG1-CG 3.24Å
2117	S	38.7	Very low	49.1	Very low	57 Å²	57	65.7 Å²	65.7	40%	0.399	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	123.7	165.8	177.1	0	0	0	0	108.6	N2119 K2142	S2117-N2119 PolarHBondContact O-N 2.87Å; S2117-K2142 WeakPolarHBondContact OG-CD 3.43Å
2118	L	37.8	Very low	46.4	Very low	58 Å²	58	72.9 Å²	72.9	30%	0.304	39%	0.385	S	S	.	.			trans	-68.1	101.2	168.2	-76.9	156.4	0	0	0	109.6	M2008 T2116 S2143 I2145	M2008-L2118 HydrophobicContact CE-CD1 3.69Å; M2008-L2118 HydrophobicContact CG-CD1 4.04Å; M2008-L2118 HydrophobicContact SD-CD1 3.38Å; M2008-L2118 WeakPolarHBondContact SD-CD1 3.42Å; T2116-L2118 PolarHBondContact O-N 3.19Å; L2118-S2143 WeakPolarHBondContact CB-O 3.46Å; L2118-S2143 VanDerWaalsContact CD1-OG 3.24Å; L2118-S2143 WeakPolarHBondContact CD1-OG 3.34Å; L2118-S2143 PolarHBondContact N-O 3.2Å; L2118-I2145 HydrophobicContact CD1-CD1 3.71Å; L2118-I2145 HydrophobicContact CD1-CG1 4.1Å; L2118-I2145 HydrophobicContact CD2-CD1 4.08Å; L2118-I2145 HydrophobicContact CG-CD1 4.05Å
2119	N	28.4	Very low	43.7	Very low	109 Å²	109	84.8 Å²	84.8	58%	0.583	43%	0.43	S	S	*	.			trans	-93.8	116	148.5	-83.6	-3.3	0	0	0	106.3	S2117 T2121 K2142	S2117-N2119 PolarHBondContact O-N 2.87Å; N2119-T2121 PolarHBondContact O-N 3.06Å; N2119-T2121 VanDerWaalsContact O-N 3.11Å; N2119-K2142 PolarHBondContact OD1-NZ 3.26Å
2120	P	26.5	Very low	41.2	Very low	112 Å²	112	90.7 Å²	90.7	73%	0.727	47%	0.466	S	S	*	.			trans	-67.3	111.1	167.6	27.8	-31.7	0	0	0	109.3
2121	T	23.8	Very low	38.7	Very low	99 Å²	99	94.1 Å²	94.1	61%	0.607	49%	0.494	S	S	*	.	S	Bend	trans	46.9	95.9	152.6	61.6	0	0	0	0	118.4	F1552 N2119	F1552-T2121 HydrophobicContact CZ-CG2 4.37Å; N2119-T2121 PolarHBondContact O-N 3.06Å; N2119-T2121 VanDerWaalsContact O-N 3.11Å
2122	N	24.1	Very low	36	Very low	83 Å²	83	98.9 Å²	98.9	44%	0.444	53%	0.528	S	S	.	.			trans	50.2	102.4	143.5	-60.2	-16.2	0	0	0	119.4	Y870 F1552	Y870-N2122 PolarHBondContact OH-O 2.79Å; F1552-N2122 HydrophobicContact CD1-CB 4.13Å; F1552-N2122 WeakPolarHBondContact CD1-ND2 3.46Å; F1552-N2122 HydrophobicContact CD2-CB 3.46Å; F1552-N2122 VanDerWaalsContact CD2-CB 3.46Å; F1552-N2122 HydrophobicContact CE1-CB 4.19Å; F1552-N2122 HydrophobicContact CE2-CB 3.54Å; F1552-N2122 HydrophobicContact CG-CB 3.85Å; F1552-N2122 HydrophobicContact CZ-CB 3.96Å
2123	N	25.6	Very low	33.6	Very low	92 Å²	92	105.3 Å²	105.3	49%	0.492	56%	0.556	S	S	.	*				-133.9	147.7	120.3	-88.9	-91.7	0	0	0	106.3	Y870 K871 H1550	Y870-N2123 PolarHBondContact OH-ND2 2.79Å; Y870-N2123 VanDerWaalsContact OH-ND2 3.07Å; Y870-N2123 PolarHBondContact OH-OD1 2.84Å; K871-N2123 VanDerWaalsContact CE-OD1 3.23Å; K871-N2123 WeakPolarHBondContact CE-OD1 3.27Å; K871-N2123 PolarHBondContact NZ-OD1 2.84Å; H1550-N2123 PolarHBondContact ND1-OD1 2.84Å; H1550-N2123 VanDerWaalsContact ND1-OD1 3.16Å
2124	H	25.8	Very low	31.1	Very low	98 Å²	98	111.1 Å²	111.1	45%	0.454	59%	0.591	S	S	.	*			trans	-79.5	-157.2	166.8	-39.7	-174.7	0	0	0	108.9	H1550 S1551	H1550-H2124 AromaticContact CD2-CG 3.94Å; H1550-H2124 PolarHBondContact CE1-N 3.06Å; H1550-H2124 VanDerWaalsContact CE1-N 3.25Å; H1550-H2124 PolarHBondContact CE1-O 2.93Å; H1550-H2124 PolarHBondContact ND1-N 3.13Å; H1550-H2124 PolarHBondContact NE2-O 2.86Å; S1551-H2124 PolarHBondContact N-NE2 3.2Å
2125	D	24.6	Very low	29.2	Very low	88 Å²	88	117.8 Å²	117.8	47%	0.471	63%	0.627	S	S	.	*			cis	-117.9	159	-26.4	-76.2	-62.2	0	0	0	104.3	H1550	H1550-D2125 IonicContact CD2-OD2 3.75Å; H1550-D2125 PolarHBondContact CD2-OD2 2.78Å; H1550-D2125 VanDerWaalsContact CD2-OD2 3.25Å; H1550-D2125 PolarHBondContact NE2-N 3.45Å; H1550-D2125 IonicContact NE2-OD2 3.65Å
2126	I	27.5	Very low	27.5	Very low	166 Å²	166	124.7 Å²	124.7	85%	0.851	66%	0.664	S	S	*	*				-178.4	156.4	78.8	-80.8	177.6	0	0	0	106.6
2127	R	26.1	Very low	26.2	Very low	220 Å²	220	126.7 Å²	126.7	83%	0.83	68%	0.681	S	S	*	*			trans	-98.9	128.1	-173.7	-167.5	178	-170.9	175.3	3.3	113.3
2128	L	27	Very low	25.6	Very low	151 Å²	151	130.2 Å²	130.2	79%	0.791	70%	0.695	S	S	*	*			trans	47.4	116	157.8	-65.4	170.6	0	0	0	119.9
2129	R	24.1	Very low	25.1	Very low	252 Å²	252	133.8 Å²	133.8	95%	0.951	71%	0.714	S	S	*	*				-156.9	149.3	125.1	-115.8	177.5	-169.1	-165.5	3.2	112.8
2130	T	24.2	Very low	25.2	Very low	125 Å²	125	132.5 Å²	132.5	77%	0.767	72%	0.719	S	S	*	*			trans	-96.1	131.8	177.1	46.4	0	0	0	0	111.3
2131	T	22.6	Very low	25.6	Very low	134 Å²	134	134.3 Å²	134.3	82%	0.822	72%	0.722	S	S	*	*			trans	-171	151.1	141.3	20.5	0	0	0	0	111.6
2132	S	23.7	Very low	26.5	Very low	111 Å²	111	134.5 Å²	134.5	78%	0.776	72%	0.715	S	S	*	*			trans	57.6	129.7	160.4	52	0	0	0	0	119.9
2133	L	23	Very low	27.8	Very low	159 Å²	159	132.8 Å²	132.8	83%	0.832	71%	0.709	S	S	*	*			trans	-66.3	148.5	170.9	-64	65.3	0	0	0	110.7
2134	T	23.5	Very low	29.3	Very low	130 Å²	130	129 Å²	129	80%	0.798	69%	0.689	S	S	*	*				-167.2	144.1	103.9	19.3	0	0	0	0	112.7
2135	N	23.9	Very low	31.2	Very low	150 Å²	150	124.7 Å²	124.7	80%	0.802	67%	0.669	S	S	*	*			trans	6.5	107.3	159.3	-55.2	-10.4	0	0	0	118.1
2136	N	25.4	Very low	33.5	Very low	167 Å²	167	120.8 Å²	120.8	89%	0.893	65%	0.649	S	S	*	*				-151.9	103.7	126.6	-125.5	-22.1	0	0	0	111.5
2137	S	24.6	Very low	35.8	Very low	100 Å²	100	113.5 Å²	113.5	70%	0.699	61%	0.612	S	S	*	*			trans	-94.1	116.3	168.2	54	0	0	0	0	109.1
2138	N	25.4	Very low	38	Very low	131 Å²	131	103.4 Å²	103.4	70%	0.701	58%	0.575	S	S	*	*			trans	-170.4	134.4	137.7	-94.1	-23.1	0	0	0	112.6
2139	N	26.9	Very low	40.2	Very low	132 Å²	132	97.4 Å²	97.4	71%	0.706	55%	0.547	S	S	*	.			trans	34.8	83	149.6	-59.5	-16	0	0	0	119.2
2140	A	30.4	Very low	42.9	Very low	82 Å²	82	85.7 Å²	85.7	68%	0.678	50%	0.503	S	S	*	.			trans	-127.7	95.7	145	0	0	0	0	0	109	K2142	A2140-K2142 PolarHBondContact O-N 3.21Å
2141	N	35.7	Very low	45.7	Very low	150 Å²	150	80.2 Å²	80.2	80%	0.802	47%	0.469	S	S	*	.			trans	-70.8	72.3	173.8	-78.5	-17.1	0	0	0	110.1	S2143	N2141-S2143 PolarHBondContact O-N 2.9Å
2142	K	43	Very low	48.3	Very low	103 Å²	103	74.4 Å²	74.4	45%	0.448	44%	0.435	S	S	.	.			trans	-59.4	112.6	164.2	-65.9	-162.7	178.4	-168.2	0	106.9	S2117 N2119 A2140 I2144	S2117-K2142 WeakPolarHBondContact OG-CD 3.43Å; N2119-K2142 PolarHBondContact OD1-NZ 3.26Å; A2140-K2142 PolarHBondContact O-N 3.21Å; K2142-I2144 WeakPolarHBondContact O-CG1 3.45Å; K2142-I2144 PolarHBondContact O-N 3.19Å
2143	S	49.9	Very low	50.9	Low	48 Å²	48	70.9 Å²	70.9	34%	0.336	41%	0.407	S	S	.	.			trans	-58	135.1	176.4	38.8	0	0	0	0	109.1	M2008 L2118 N2141	M2008-S2143 PolarHBondContact SD-OG 2.8Å; L2118-S2143 WeakPolarHBondContact CB-O 3.46Å; L2118-S2143 VanDerWaalsContact CD1-OG 3.24Å; L2118-S2143 WeakPolarHBondContact CD1-OG 3.34Å; L2118-S2143 PolarHBondContact N-O 3.2Å; N2141-S2143 PolarHBondContact O-N 2.9Å
2144	I	57.6	Low	54	Low	13 Å²	13	63.4 Å²	63.4	7%	0.067	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	122.4	-173.6	-43.9	-178.5	0	0	0	107.4	L2013 Q2017 L2115 T2116 K2142	L2013-I2144 HydrophobicContact CB-CB 4.42Å; L2013-I2144 HydrophobicContact CB-CD1 4.29Å; L2013-I2144 HydrophobicContact CD2-CB 3.7Å; L2013-I2144 HydrophobicContact CD2-CG2 3.88Å; L2013-I2144 WeakPolarHBondContact CD2-O 3.14Å; Q2017-I2144 HydrophobicContact CB-CD1 3.58Å; Q2017-I2144 VanDerWaalsContact CD-CD1 3.43Å; Q2017-I2144 HydrophobicContact CG-CD1 3.58Å; Q2017-I2144 VanDerWaalsContact NE2-CD1 3.29Å; L2115-I2144 HydrophobicContact CB-CG2 3.69Å; L2115-I2144 HydrophobicContact CD1-CG2 4.14Å; L2115-I2144 HydrophobicContact CD2-CG2 3.64Å; L2115-I2144 HydrophobicContact CG-CG2 4.01Å; T2116-I2144 WeakPolarHBondContact O-CA 3.11Å; T2116-I2144 WeakPolarHBondContact O-CG2 3.4Å; K2142-I2144 WeakPolarHBondContact O-CG1 3.45Å; K2142-I2144 PolarHBondContact O-N 3.19Å
2145	I	66.4	Low	56.7	Low	7 Å²	7	57.2 Å²	57.2	4%	0.036	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	148.7	173.5	-80.1	166.2	0	0	0	108.2	E2004 L2115 T2116 L2118 P2147 L2150	E2004-I2145 HydrophobicContact CB-CD1 4.12Å; E2004-I2145 HydrophobicContact CG-CD1 3.87Å; L2115-I2145 CarbonylContact C-O 3.07Å; L2115-I2145 WeakPolarHBondContact CA-O 3.49Å; T2116-I2145 PolarHBondContact N-O 2.64Å; T2116-I2145 PolarHBondContact O-N 3.14Å; L2118-I2145 HydrophobicContact CD1-CD1 3.71Å; L2118-I2145 HydrophobicContact CD1-CG1 4.1Å; L2118-I2145 HydrophobicContact CD2-CD1 4.08Å; L2118-I2145 HydrophobicContact CG-CD1 4.05Å; I2145-P2147 HydrophobicContact CG2-CG 4.28Å; I2145-P2147 WeakPolarHBondContact O-CD 3.5Å; I2145-L2150 HydrophobicContact CG2-CD1 3.36Å; I2145-L2150 HydrophobicContact CG2-CG 4.06Å
2146	C	73.5	Confident	59.1	Low	6 Å²	6	51.3 Å²	51.3	4%	0.041	30%	0.298	C	S	.	.			trans	-101	99.3	159.9	175.7	0	0	0	0	107.7	L2114 V2148 A2149 L2150	L2114-C2146 WeakPolarHBondContact O-CA 3.43Å; L2114-C2146 WeakPolarHBondContact O-CB 3.3Å; L2114-C2146 PolarHBondContact O-SG 3.3Å; C2146-V2148 VanDerWaalsContact C-N 3.27Å; C2146-V2148 PolarHBondContact O-N 2.85Å; C2146-A2149 HydrophobicContact CB-CB 3.8Å; C2146-A2149 WeakPolarHBondContact O-CB 3.34Å; C2146-A2149 PolarHBondContact O-N 3.43Å; C2146-A2149 PolarHBondContact SG-N 2.86Å; C2146-L2150 PolarHBondContact O-N 2.82Å
2147	P	74.1	Confident	61.6	Low	12 Å²	12	43.9 Å²	43.9	8%	0.078	26%	0.261	C	S	.	.	H	α-helix	trans	-54.1	-45.6	-175.1	-26	31.4	0	0	0	112.3	Y2054 L2113 T2116 I2145 A2149 L2150 Q2151	Y2054-P2147 HydrophobicContact CE1-CB 3.81Å; Y2054-P2147 HydrophobicContact CE2-CB 4.5Å; Y2054-P2147 WeakPolarHBondContact OH-CA 3.26Å; Y2054-P2147 WeakPolarHBondContact OH-CB 3.47Å; Y2054-P2147 PolarHBondContact OH-O 3.03Å; L2113-P2147 WeakPolarHBondContact O-CD 3.4Å; T2116-P2147 HydrophobicContact CG2-CG 3.55Å; T2116-P2147 WeakPolarHBondContact OG1-CG 3.24Å; I2145-P2147 HydrophobicContact CG2-CG 4.28Å; I2145-P2147 WeakPolarHBondContact O-CD 3.5Å; P2147-A2149 VanDerWaalsContact C-N 3.28Å; P2147-A2149 PolarHBondContact O-N 3.34Å; P2147-L2150 WeakPolarHBondContact O-CB 3.02Å; P2147-L2150 PolarHBondContact O-N 2.57Å; P2147-L2150 VanDerWaalsContact O-N 3.11Å; P2147-Q2151 PolarHBondContact O-N 2.87Å
2148	V	73.3	Confident	64.1	Low	8 Å²	8	39.3 Å²	39.3	5%	0.048	23%	0.229	C	C	.	.	H	α-helix	trans	-58.3	-37.4	177.6	157.1	0	0	0	0	112.8	Y2054 L2113 C2146 Q2151 A2152 F2175	Y2054-V2148 HydrophobicContact CD2-CG2 4.45Å; Y2054-V2148 HydrophobicContact CE2-CG2 4.03Å; L2113-V2148 HydrophobicContact CB-CG2 3.81Å; L2113-V2148 WeakPolarHBondContact O-CB 3.43Å; L2113-V2148 WeakPolarHBondContact O-CG2 3.35Å; L2113-V2148 PolarHBondContact O-N 2.87Å; C2146-V2148 VanDerWaalsContact C-N 3.27Å; C2146-V2148 PolarHBondContact O-N 2.85Å; V2148-Q2151 PolarHBondContact O-N 3.23Å; V2148-A2152 WeakPolarHBondContact O-CB 3.34Å; V2148-A2152 PolarHBondContact O-N 3.39Å; V2148-F2175 HydrophobicContact CG1-CB 3.94Å; V2148-F2175 HydrophobicContact CG1-CD1 3.18Å; V2148-F2175 HydrophobicContact CG1-CD2 4.07Å; V2148-F2175 HydrophobicContact CG1-CE1 3.52Å; V2148-F2175 HydrophobicContact CG1-CE2 4.35Å; V2148-F2175 HydrophobicContact CG1-CG 3.47Å; V2148-F2175 VanDerWaalsContact CG1-CG 3.47Å; V2148-F2175 HydrophobicContact CG1-CZ 4.1Å; V2148-F2175 HydrophobicContact CG2-CE1 4.27Å
2149	A	72.4	Confident	66.2	Low	26 Å²	26	33.2 Å²	33.2	22%	0.215	20%	0.196	C	C	.	.	H	α-helix	trans	-67.8	-41.2	176.3	0	0	0	0	0	111.6	C2146 P2147 Q2151 A2152 D2153	C2146-A2149 HydrophobicContact CB-CB 3.8Å; C2146-A2149 WeakPolarHBondContact O-CB 3.34Å; C2146-A2149 PolarHBondContact O-N 3.43Å; C2146-A2149 PolarHBondContact SG-N 2.86Å; P2147-A2149 VanDerWaalsContact C-N 3.28Å; P2147-A2149 PolarHBondContact O-N 3.34Å; A2149-Q2151 VanDerWaalsContact C-N 3.27Å; A2149-Q2151 PolarHBondContact O-N 3.28Å; A2149-A2152 WeakPolarHBondContact O-CB 3.41Å; A2149-A2152 PolarHBondContact O-N 2.92Å; A2149-D2153 WeakPolarHBondContact O-CB 3.4Å; A2149-D2153 PolarHBondContact O-N 3.24Å
2150	L	82.1	Confident	67.5	Low	5 Å²	5	28.1 Å²	28.1	3%	0.026	17%	0.169	C	C	.	.	H	α-helix	trans	-59.2	-38.3	175.8	-63.3	174.5	0	0	0	112.5	L2003 E2004 Q2007 I2145 C2146 P2147 Y2154	L2003-L2150 VanDerWaalsContact C-CD2 3.48Å; L2003-L2150 HydrophobicContact CB-CD2 3.72Å; L2003-L2150 WeakPolarHBondContact O-CD2 3.4Å; E2004-L2150 HydrophobicContact CG-CD1 3.58Å; E2004-L2150 HydrophobicContact CG-CD2 4.32Å; Q2007-L2150 HydrophobicContact CB-CD2 4.26Å; Q2007-L2150 VanDerWaalsContact CD-CD2 3.49Å; Q2007-L2150 HydrophobicContact CG-CD2 3.8Å; I2145-L2150 HydrophobicContact CG2-CD1 3.36Å; I2145-L2150 HydrophobicContact CG2-CG 4.06Å; C2146-L2150 PolarHBondContact O-N 2.82Å; P2147-L2150 WeakPolarHBondContact O-CB 3.02Å; P2147-L2150 PolarHBondContact O-N 2.57Å; P2147-L2150 VanDerWaalsContact O-N 3.11Å; L2150-Y2154 WeakPolarHBondContact O-CB 3.31Å; L2150-Y2154 PolarHBondContact O-N 2.9Å
2151	Q	83.3	Confident	68.5	Low	11 Å²	11	26 Å²	26	5%	0.051	15%	0.147	C	C	.	.	H	α-helix	trans	-74.9	-34.2	178.9	-56.2	-60.9	-37.9	0	0	112	Y2054 L2057 P2147 V2148 A2149 L2155	Y2054-Q2151 HydrophobicContact CE2-CG 3.95Å; Y2054-Q2151 WeakPolarHBondContact OH-CG 3.23Å; L2057-Q2151 HydrophobicContact CD2-CB 3.89Å; L2057-Q2151 HydrophobicContact CD2-CG 3.57Å; P2147-Q2151 PolarHBondContact O-N 2.87Å; V2148-Q2151 PolarHBondContact O-N 3.23Å; A2149-Q2151 VanDerWaalsContact C-N 3.27Å; A2149-Q2151 PolarHBondContact O-N 3.28Å; Q2151-L2155 WeakPolarHBondContact O-CB 3.08Å; Q2151-L2155 VanDerWaalsContact O-CG 3.28Å; Q2151-L2155 WeakPolarHBondContact O-CG 3.23Å; Q2151-L2155 PolarHBondContact O-N 2.94Å
2152	A	76.7	Confident	68.8	Low	12 Å²	12	21.2 Å²	21.2	10%	0.099	13%	0.125	C	C	.	.	H	α-helix	trans	-64	-46.8	170.6	0	0	0	0	0	111.7	V2148 A2149 Y2154 L2155 D2156 N2172	V2148-A2152 WeakPolarHBondContact O-CB 3.34Å; V2148-A2152 PolarHBondContact O-N 3.39Å; A2149-A2152 WeakPolarHBondContact O-CB 3.41Å; A2149-A2152 PolarHBondContact O-N 2.92Å; A2152-Y2154 PolarHBondContact O-N 3.07Å; A2152-L2155 PolarHBondContact O-N 3.14Å; A2152-D2156 WeakPolarHBondContact O-CB 3.42Å; A2152-D2156 PolarHBondContact O-N 2.76Å; A2152-N2172 WeakPolarHBondContact CA-OD1 3.45Å; A2152-N2172 VanDerWaalsContact CB-OD1 3.27Å; A2152-N2172 WeakPolarHBondContact CB-OD1 3.41Å; A2152-N2172 PolarHBondContact O-ND2 2.94Å
2153	D	79	Confident	68.7	Low	36 Å²	36	20.2 Å²	20.2	19%	0.193	12%	0.122	C	C	.	.	H	α-helix	trans	-62.1	-40.5	176.9	-65.8	-24.7	0	0	0	111.3	L2003 Q2007 A2149 G2157	L2003-D2153 HydrophobicContact CD1-CB 4.24Å; L2003-D2153 HydrophobicContact CD2-CB 3.76Å; Q2007-D2153 PolarHBondContact NE2-OD2 2.93Å; A2149-D2153 WeakPolarHBondContact O-CB 3.4Å; A2149-D2153 PolarHBondContact O-N 3.24Å; D2153-G2157 PolarHBondContact O-N 3.25Å
2154	Y	86.6	Confident	68.4	Low	2 Å²	2	19.3 Å²	19.3	1%	0.008	11%	0.113	C	C	.	.	H	α-helix	trans	-63	-46.9	174.3	-178.9	-89.3	0	0	0	112.1	H1996 V1999 I2000 Y2061 V2063 K2066 L2150 A2152 G2157 V2158	H1996-Y2154 AromaticContact CD2-CE2 3.78Å; H1996-Y2154 AromaticContact CD2-CZ 3.81Å; V1999-Y2154 HydrophobicContact CB-CD2 4.39Å; V1999-Y2154 HydrophobicContact CB-CE2 4.21Å; V1999-Y2154 HydrophobicContact CG1-CD2 3.72Å; V1999-Y2154 HydrophobicContact CG1-CE2 3.93Å; I2000-Y2154 HydrophobicContact CD1-CD2 3.92Å; I2000-Y2154 HydrophobicContact CD1-CG 4.22Å; I2000-Y2154 HydrophobicContact CG1-CD2 4.48Å; Y2061-Y2154 PolarHBondContact O-OH 3.4Å; V2063-Y2154 HydrophobicContact CG2-CE1 4.4Å; K2066-Y2154 HydrophobicContact CD-CD1 3.93Å; K2066-Y2154 HydrophobicContact CD-CE1 4.14Å; L2150-Y2154 WeakPolarHBondContact O-CB 3.31Å; L2150-Y2154 PolarHBondContact O-N 2.9Å; A2152-Y2154 PolarHBondContact O-N 3.07Å; Y2154-G2157 PolarHBondContact O-N 3.1Å; Y2154-V2158 HydrophobicContact CD2-CG2 4.39Å; Y2154-V2158 HydrophobicContact CE1-CG2 4.21Å; Y2154-V2158 HydrophobicContact CE2-CG2 4.07Å; Y2154-V2158 WeakPolarHBondContact O-CB 3.39Å; Y2154-V2158 WeakPolarHBondContact O-CG2 3.4Å; Y2154-V2158 PolarHBondContact O-N 3.08Å
2155	L	79.7	Confident	67.8	Low	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-62.4	-49.5	178.3	-74.8	171.1	0	0	0	111.1	V2063 K2066 I2067 L2070 Q2151 A2152 G2157 V2158 L2159	V2063-L2155 HydrophobicContact CB-CD2 4.48Å; V2063-L2155 HydrophobicContact CG1-CD2 3.87Å; K2066-L2155 HydrophobicContact CB-CD2 4.03Å; K2066-L2155 HydrophobicContact CD-CD2 4.16Å; K2066-L2155 HydrophobicContact CD-CG 4.42Å; I2067-L2155 HydrophobicContact CG1-CD2 4.28Å; L2070-L2155 HydrophobicContact CD1-CD1 3.7Å; Q2151-L2155 WeakPolarHBondContact O-CB 3.08Å; Q2151-L2155 VanDerWaalsContact O-CG 3.28Å; Q2151-L2155 WeakPolarHBondContact O-CG 3.23Å; Q2151-L2155 PolarHBondContact O-N 2.94Å; A2152-L2155 PolarHBondContact O-N 3.14Å; L2155-G2157 VanDerWaalsContact C-N 3.29Å; L2155-G2157 PolarHBondContact O-N 3.41Å; L2155-V2158 PolarHBondContact O-N 3.37Å; L2155-L2159 HydrophobicContact CB-CD1 4.17Å; L2155-L2159 HydrophobicContact CD2-CD1 4.34Å; L2155-L2159 VanDerWaalsContact O-CB 3.24Å; L2155-L2159 WeakPolarHBondContact O-CB 3.45Å; L2155-L2159 WeakPolarHBondContact O-CD1 3.37Å; L2155-L2159 WeakPolarHBondContact O-CG 3.41Å; L2155-L2159 PolarHBondContact O-N 3.24Å
2156	D	75.8	Confident	66.5	Low	27 Å²	27	23.5 Å²	23.5	14%	0.144	14%	0.136	C	C	.	.	H	α-helix	trans	-60.3	-39	177.8	-158.9	68	0	0	0	111.8	R1942 A2152 P2280	R1942-D2156 PolarHBondContact NH2-O 2.87Å; A2152-D2156 WeakPolarHBondContact O-CB 3.42Å; A2152-D2156 PolarHBondContact O-N 2.76Å; D2156-P2280 WeakPolarHBondContact OD2-CD 3.33Å
2157	G	77	Confident	65	Low	10 Å²	10	28.4 Å²	28.4	10%	0.103	16%	0.158	C	C	.	.	H	α-helix	trans	-66.7	-41.8	178.6	0	0	0	0	0	114	R1942 D2153 Y2154 L2155	R1942-G2157 PolarHBondContact NE-O 2.91Å; R1942-G2157 PolarHBondContact NH2-O 3.48Å; D2153-G2157 PolarHBondContact O-N 3.25Å; Y2154-G2157 PolarHBondContact O-N 3.1Å; L2155-G2157 VanDerWaalsContact C-N 3.29Å; L2155-G2157 PolarHBondContact O-N 3.41Å
2158	V	77.2	Confident	63.5	Low	4 Å²	4	27.9 Å²	27.9	2%	0.024	16%	0.155	C	C	.	.	H	α-helix	trans	-92.7	-28.5	-170.6	178.7	0	0	0	0	113.9	M1938 L1992 V2063 Y2154 L2155 N2160	M1938-V2158 HydrophobicContact CG-CG2 4.23Å; M1938-V2158 HydrophobicContact SD-CG2 4.18Å; L1992-V2158 HydrophobicContact CD1-CG1 3.69Å; L1992-V2158 HydrophobicContact CD2-CG1 3.76Å; L1992-V2158 HydrophobicContact CD2-CG2 4.46Å; L1992-V2158 HydrophobicContact CG-CG1 4.4Å; V2063-V2158 HydrophobicContact CG2-CB 4.35Å; V2063-V2158 HydrophobicContact CG2-CG1 3.8Å; Y2154-V2158 HydrophobicContact CD2-CG2 4.39Å; Y2154-V2158 HydrophobicContact CE1-CG2 4.21Å; Y2154-V2158 HydrophobicContact CE2-CG2 4.07Å; Y2154-V2158 WeakPolarHBondContact O-CB 3.39Å; Y2154-V2158 WeakPolarHBondContact O-CG2 3.4Å; Y2154-V2158 PolarHBondContact O-N 3.08Å; L2155-V2158 PolarHBondContact O-N 3.37Å; V2158-N2160 PolarHBondContact O-N 3.22Å
2159	L	69.6	Low	62.3	Low	4 Å²	4	29.6 Å²	29.6	2%	0.021	17%	0.165	C	C	.	.			trans	-67.1	97.5	-170.4	-90.1	165.8	0	0	0	116.5	R1942 V2063 I2067 L2155 L2164 N2165 A2168	R1942-L2159 VanDerWaalsContact NH1-C 3.32Å; R1942-L2159 PolarHBondContact NH1-O 3.1Å; R1942-L2159 PolarHBondContact NH2-O 3.45Å; V2063-L2159 HydrophobicContact CG1-CD1 4.17Å; V2063-L2159 HydrophobicContact CG1-CD2 3.35Å; V2063-L2159 HydrophobicContact CG1-CG 3.59Å; I2067-L2159 HydrophobicContact CD1-CD1 4.38Å; L2155-L2159 HydrophobicContact CB-CD1 4.17Å; L2155-L2159 HydrophobicContact CD2-CD1 4.34Å; L2155-L2159 VanDerWaalsContact O-CB 3.24Å; L2155-L2159 WeakPolarHBondContact O-CB 3.45Å; L2155-L2159 WeakPolarHBondContact O-CD1 3.37Å; L2155-L2159 WeakPolarHBondContact O-CG 3.41Å; L2155-L2159 PolarHBondContact O-N 3.24Å; L2159-L2164 HydrophobicContact CD2-CB 3.37Å; L2159-L2164 HydrophobicContact CD2-CD1 4.26Å; L2159-L2164 HydrophobicContact CD2-CG 4.47Å; L2159-N2165 HydrophobicContact CB-CB 4.41Å; L2159-N2165 VanDerWaalsContact CB-OD1 3.32Å; L2159-N2165 WeakPolarHBondContact CB-OD1 3.14Å; L2159-N2165 PolarHBondContact O-OD1 3.22Å; L2159-N2165 VanDerWaalsContact O-OD1 3.12Å; L2159-A2168 HydrophobicContact CD1-CB 3.14Å
2160	N	54.3	Low	60.9	Low	25 Å²	25	30.4 Å²	30.4	13%	0.134	18%	0.176	C	C	.	.			trans	-72.8	-40.8	177.7	-103.6	-20.8	0	0	0	115.2	R1942 S1946 E1984 V2158	R1942-N2160 WeakPolarHBondContact CB-OD1 3.3Å; R1942-N2160 PolarHBondContact O-ND2 2.7Å; S1946-N2160 PolarHBondContact OG-ND2 3.29Å; E1984-N2160 VanDerWaalsContact OE1-CB 3.27Å; E1984-N2160 WeakPolarHBondContact OE1-CB 2.95Å; E1984-N2160 PolarHBondContact OE1-ND2 2.96Å; V2158-N2160 PolarHBondContact O-N 3.22Å
2161	T	50.5	Low	59.4	Low	36 Å²	36	31.1 Å²	31.1	22%	0.221	18%	0.18	C	C	.	.	S	Bend	trans	-84.9	130.6	-166.3	44.9	0	0	0	0	112.2	Q2163 L2164 N2165	T2161-Q2163 VanDerWaalsContact C-N 3.33Å; T2161-Q2163 PolarHBondContact O-N 2.98Å; T2161-L2164 PolarHBondContact O-N 3.25Å; T2161-N2165 VanDerWaalsContact O-CB 3.31Å; T2161-N2165 WeakPolarHBondContact O-CB 3.26Å; T2161-N2165 PolarHBondContact O-N 3.16Å
2162	P	42.5	Very low	57.8	Low	51 Å²	51	31.8 Å²	31.8	33%	0.331	18%	0.184	S	C	.	.	H	α-helix	trans	-60.1	-35.2	-172.2	20.6	-31.6	0	0	0	114.1	N2165 D2166	P2162-N2165 PolarHBondContact O-N 2.79Å; P2162-D2166 WeakPolarHBondContact O-CB 3.14Å; P2162-D2166 PolarHBondContact O-N 3.36Å
2163	Q	40.5	Very low	56.7	Low	81 Å²	81	36.5 Å²	36.5	38%	0.379	21%	0.208	S	C	.	.	H	α-helix	trans	-63	-48.7	178.7	-77.3	139.7	-57.3	0	0	113.5	T2161 N2165 D2166 Q2167 E2419 R2604	T2161-Q2163 VanDerWaalsContact C-N 3.33Å; T2161-Q2163 PolarHBondContact O-N 2.98Å; Q2163-N2165 VanDerWaalsContact C-N 3.32Å; Q2163-D2166 PolarHBondContact O-N 3.49Å; Q2163-Q2167 PolarHBondContact O-N 2.84Å; Q2163-E2419 PolarHBondContact NE2-OE2 3.03Å; Q2163-R2604 VanDerWaalsContact NE2-NH1 3.18Å; Q2163-R2604 VanDerWaalsContact OE1-CZ 3.31Å
2164	L	43.8	Very low	55.4	Low	30 Å²	30	36.6 Å²	36.6	16%	0.157	21%	0.208	C	C	.	.	H	α-helix	trans	-74.8	-28.3	178.9	-63.9	-179.4	0	0	0	111.1	Q2064 I2067 L2159 T2161 Q2167 A2168	Q2064-L2164 VanDerWaalsContact OE1-CD2 3.29Å; I2067-L2164 HydrophobicContact CD1-CB 4.2Å; I2067-L2164 HydrophobicContact CD1-CD2 4.19Å; L2159-L2164 HydrophobicContact CD2-CB 3.37Å; L2159-L2164 HydrophobicContact CD2-CD1 4.26Å; L2159-L2164 HydrophobicContact CD2-CG 4.47Å; T2161-L2164 PolarHBondContact O-N 3.25Å; L2164-Q2167 PolarHBondContact O-N 3.41Å; L2164-A2168 VanDerWaalsContact O-CB 3.24Å; L2164-A2168 WeakPolarHBondContact O-CB 3.19Å; L2164-A2168 PolarHBondContact O-N 3.26Å
2165	N	44.8	Very low	53.9	Low	24 Å²	24	37.3 Å²	37.3	13%	0.128	21%	0.211	C	C	.	.	H	α-helix	trans	-68.2	-32.8	172.4	-150.9	75.9	0	0	0	112.2	L2159 T2161 P2162 Q2163 T2169	L2159-N2165 HydrophobicContact CB-CB 4.41Å; L2159-N2165 VanDerWaalsContact CB-OD1 3.32Å; L2159-N2165 WeakPolarHBondContact CB-OD1 3.14Å; L2159-N2165 PolarHBondContact O-OD1 3.22Å; L2159-N2165 VanDerWaalsContact O-OD1 3.12Å; T2161-N2165 VanDerWaalsContact O-CB 3.31Å; T2161-N2165 WeakPolarHBondContact O-CB 3.26Å; T2161-N2165 PolarHBondContact O-N 3.16Å; P2162-N2165 PolarHBondContact O-N 2.79Å; Q2163-N2165 VanDerWaalsContact C-N 3.32Å; N2165-T2169 VanDerWaalsContact O-CB 3.31Å; N2165-T2169 WeakPolarHBondContact O-CB 3.3Å; N2165-T2169 VanDerWaalsContact O-CG2 3.25Å; N2165-T2169 WeakPolarHBondContact O-CG2 3.45Å; N2165-T2169 PolarHBondContact O-N 3.15Å; N2165-T2169 PolarHBondContact O-OG1 3.44Å
2166	D	39.5	Very low	52.5	Low	84 Å²	84	38.9 Å²	38.9	45%	0.449	23%	0.227	S	C	.	.	H	α-helix	trans	-71.7	-37.4	173.1	-77.4	-15.5	0	0	0	111.9	P2162 Q2163 T2169 G2170	P2162-D2166 WeakPolarHBondContact O-CB 3.14Å; P2162-D2166 PolarHBondContact O-N 3.36Å; Q2163-D2166 PolarHBondContact O-N 3.49Å; D2166-T2169 WeakPolarHBondContact CA-OG1 3.46Å; D2166-T2169 PolarHBondContact O-OG1 3.04Å; D2166-G2170 PolarHBondContact O-N 3.02Å
2167	Q	42.3	Very low	51.3	Low	109 Å²	109	39.7 Å²	39.7	51%	0.509	24%	0.235	S	C	.	.	H	α-helix	trans	-66.9	-45.4	171.5	-69.4	-175.3	-4.2	0	0	112.2	Q2163 L2164 G2170 L2171	Q2163-Q2167 PolarHBondContact O-N 2.84Å; L2164-Q2167 PolarHBondContact O-N 3.41Å; Q2167-G2170 PolarHBondContact O-N 3.11Å; Q2167-L2171 PolarHBondContact O-N 3.42Å
2168	A	43.2	Very low	50	Low	1 Å²	1	39.3 Å²	39.3	1%	0.008	23%	0.231	C	C	.	.	H	α-helix	trans	-72.4	-33.1	-179.5	0	0	0	0	0	113	L2159 L2164 G2170 L2171 N2172	L2159-A2168 HydrophobicContact CD1-CB 3.14Å; L2164-A2168 VanDerWaalsContact O-CB 3.24Å; L2164-A2168 WeakPolarHBondContact O-CB 3.19Å; L2164-A2168 PolarHBondContact O-N 3.26Å; A2168-G2170 VanDerWaalsContact C-N 3.28Å; A2168-G2170 PolarHBondContact O-N 3.23Å; A2168-L2171 CarbonylContact O-C 3.58Å; A2168-L2171 PolarHBondContact O-N 2.83Å; A2168-N2172 VanDerWaalsContact O-CB 3.27Å; A2168-N2172 WeakPolarHBondContact O-CB 3.38Å; A2168-N2172 PolarHBondContact O-N 2.91Å; A2168-N2172 PolarHBondContact O-OD1 3.3Å
2169	T	46.7	Very low	48.8	Very low	43 Å²	43	41.4 Å²	41.4	26%	0.264	24%	0.238	S	C	.	.	H	α-helix	trans	-65.9	-33.1	170.5	48.4	0	0	0	0	111.5	N2165 D2166 N2172 D2173	N2165-T2169 VanDerWaalsContact O-CB 3.31Å; N2165-T2169 WeakPolarHBondContact O-CB 3.3Å; N2165-T2169 VanDerWaalsContact O-CG2 3.25Å; N2165-T2169 WeakPolarHBondContact O-CG2 3.45Å; N2165-T2169 PolarHBondContact O-N 3.15Å; N2165-T2169 PolarHBondContact O-OG1 3.44Å; D2166-T2169 WeakPolarHBondContact CA-OG1 3.46Å; D2166-T2169 PolarHBondContact O-OG1 3.04Å; T2169-N2172 PolarHBondContact O-N 3.08Å; T2169-D2173 WeakPolarHBondContact O-CB 3.26Å; T2169-D2173 PolarHBondContact O-N 3.43Å
2170	G	44.7	Very low	47.7	Very low	44 Å²	44	43.3 Å²	43.3	45%	0.454	25%	0.245	S	C	.	.	H	α-helix	trans	-61.7	-42.4	168.1	0	0	0	0	0	113.4	D2166 Q2167 A2168 L2174	D2166-G2170 PolarHBondContact O-N 3.02Å; Q2167-G2170 PolarHBondContact O-N 3.11Å; A2168-G2170 VanDerWaalsContact C-N 3.28Å; A2168-G2170 PolarHBondContact O-N 3.23Å; G2170-L2174 WeakPolarHBondContact O-CB 3.41Å; G2170-L2174 PolarHBondContact O-N 3.07Å
2171	L	49	Very low	47.4	Very low	19 Å²	19	44.7 Å²	44.7	10%	0.099	25%	0.252	C	S	.	.	H	α-helix	trans	-69.1	-36.9	175.2	-70.8	161.7	0	0	0	112.4	I2067 L2070 F2074 Q2167 A2168 L2174 F2175	I2067-L2171 HydrophobicContact CG2-CD1 4.39Å; L2070-L2171 HydrophobicContact CB-CD1 4.26Å; L2070-L2171 HydrophobicContact CB-CD2 4.29Å; L2070-L2171 HydrophobicContact CD1-CD1 3.92Å; F2074-L2171 HydrophobicContact CD2-CD2 3.89Å; F2074-L2171 HydrophobicContact CE2-CD2 3.67Å; Q2167-L2171 PolarHBondContact O-N 3.42Å; A2168-L2171 CarbonylContact O-C 3.58Å; A2168-L2171 PolarHBondContact O-N 2.83Å; L2171-L2174 WeakPolarHBondContact O-CB 3.26Å; L2171-L2174 PolarHBondContact O-N 2.81Å; L2171-F2175 WeakPolarHBondContact O-CD2 3.34Å; L2171-F2175 PolarHBondContact O-N 3.4Å
2172	N	50.9	Low	47.1	Very low	26 Å²	26	43.3 Å²	43.3	14%	0.139	24%	0.243	C	C	.	.	H	α-helix	trans	-76	-34	178.9	-68.5	-8.4	0	0	0	111.8	A2152 A2168 T2169 L2174 G2176	A2152-N2172 WeakPolarHBondContact CA-OD1 3.45Å; A2152-N2172 VanDerWaalsContact CB-OD1 3.27Å; A2152-N2172 WeakPolarHBondContact CB-OD1 3.41Å; A2152-N2172 PolarHBondContact O-ND2 2.94Å; A2168-N2172 VanDerWaalsContact O-CB 3.27Å; A2168-N2172 WeakPolarHBondContact O-CB 3.38Å; A2168-N2172 PolarHBondContact O-N 2.91Å; A2168-N2172 PolarHBondContact O-OD1 3.3Å; T2169-N2172 PolarHBondContact O-N 3.08Å; N2172-L2174 VanDerWaalsContact C-N 3.32Å; N2172-G2176 VanDerWaalsContact O-CA 3.27Å; N2172-G2176 WeakPolarHBondContact O-CA 3.4Å; N2172-G2176 PolarHBondContact O-N 3.18Å
2173	D	53.4	Low	47.1	Very low	111 Å²	111	42.9 Å²	42.9	59%	0.594	24%	0.238	S	C	*	.	H	α-helix	trans	-69.2	-30.8	167.4	-95.3	-16.8	0	0	0	111.1	T2169 S2177	T2169-D2173 WeakPolarHBondContact O-CB 3.26Å; T2169-D2173 PolarHBondContact O-N 3.43Å; D2173-S2177 WeakPolarHBondContact O-CB 3.4Å; D2173-S2177 PolarHBondContact O-N 3.08Å; D2173-S2177 PolarHBondContact O-OG 3.41Å
2174	L	52.1	Low	47.1	Very low	37 Å²	37	41 Å²	41	19%	0.194	23%	0.23	C	C	.	.	H	α-helix	trans	-70.5	-54.1	173.5	176.7	55.6	0	0	0	111.8	F2074 G2170 L2171 N2172 G2176 S2177 L2178	F2074-L2174 HydrophobicContact CD1-CD2 4.14Å; F2074-L2174 HydrophobicContact CD2-CD2 4.46Å; F2074-L2174 HydrophobicContact CE1-CD2 3.56Å; F2074-L2174 HydrophobicContact CE1-CG 4.28Å; F2074-L2174 HydrophobicContact CE2-CD2 3.93Å; F2074-L2174 HydrophobicContact CZ-CD2 3.44Å; F2074-L2174 VanDerWaalsContact CZ-CD2 3.44Å; F2074-L2174 HydrophobicContact CZ-CG 4.03Å; G2170-L2174 WeakPolarHBondContact O-CB 3.41Å; G2170-L2174 PolarHBondContact O-N 3.07Å; L2171-L2174 WeakPolarHBondContact O-CB 3.26Å; L2171-L2174 PolarHBondContact O-N 2.81Å; N2172-L2174 VanDerWaalsContact C-N 3.32Å; L2174-G2176 VanDerWaalsContact C-N 3.34Å; L2174-G2176 PolarHBondContact O-N 3.5Å; L2174-S2177 CarbonylContact O-C 3.51Å; L2174-S2177 WeakPolarHBondContact O-CA 3.47Å; L2174-S2177 WeakPolarHBondContact O-CB 3.5Å; L2174-S2177 PolarHBondContact O-N 2.77Å; L2174-S2177 VanDerWaalsContact O-N 3.08Å; L2174-L2178 HydrophobicContact CD1-CD1 4.05Å; L2174-L2178 HydrophobicContact CD1-CG 4.19Å; L2174-L2178 HydrophobicContact CG-CD1 4.1Å; L2174-L2178 VanDerWaalsContact O-CG 3.28Å; L2174-L2178 WeakPolarHBondContact O-CG 3.48Å; L2174-L2178 PolarHBondContact O-N 3.36Å
2175	F	54.3	Low	46.8	Very low	17 Å²	17	46.1 Å²	46.1	8%	0.075	25%	0.251	C	S	.	.	H	α-helix	trans	-63.8	-40	175.8	-72.6	-54.6	0	0	0	112.3	L2070 F2074 F2108 V2148 L2171 S2177 L2178 Y2179	L2070-F2175 HydrophobicContact CD1-CE2 4.14Å; L2070-F2175 HydrophobicContact CD2-CE2 3.56Å; L2070-F2175 HydrophobicContact CD2-CZ 3.57Å; L2070-F2175 HydrophobicContact CG-CE2 4.46Å; F2074-F2175 HydrophobicContact CE2-CE1 4.1Å; F2074-F2175 HydrophobicContact CE2-CE2 4.01Å; F2074-F2175 AromaticContact CE2-CZ 3.55Å; F2074-F2175 HydrophobicContact CE2-CZ 3.55Å; F2074-F2175 HydrophobicContact CZ-CD1 4.29Å; F2074-F2175 AromaticContact CZ-CE1 3.57Å; F2074-F2175 HydrophobicContact CZ-CE1 3.57Å; F2074-F2175 HydrophobicContact CZ-CE2 4.23Å; F2074-F2175 AromaticContact CZ-CZ 3.53Å; F2074-F2175 HydrophobicContact CZ-CZ 3.53Å; F2108-F2175 HydrophobicContact CD2-CE1 4.3Å; F2108-F2175 HydrophobicContact CE2-CD1 4.43Å; F2108-F2175 AromaticContact CE2-CE1 3.72Å; F2108-F2175 HydrophobicContact CE2-CE1 3.72Å; F2108-F2175 AromaticContact CZ-CE1 3.93Å; F2108-F2175 HydrophobicContact CZ-CE1 3.93Å; V2148-F2175 HydrophobicContact CG1-CB 3.94Å; V2148-F2175 HydrophobicContact CG1-CD1 3.18Å; V2148-F2175 HydrophobicContact CG1-CD2 4.07Å; V2148-F2175 HydrophobicContact CG1-CE1 3.52Å; V2148-F2175 HydrophobicContact CG1-CE2 4.35Å; V2148-F2175 HydrophobicContact CG1-CG 3.47Å; V2148-F2175 VanDerWaalsContact CG1-CG 3.47Å; V2148-F2175 HydrophobicContact CG1-CZ 4.1Å; V2148-F2175 HydrophobicContact CG2-CE1 4.27Å; L2171-F2175 WeakPolarHBondContact O-CD2 3.34Å; L2171-F2175 PolarHBondContact O-N 3.4Å; F2175-S2177 VanDerWaalsContact C-N 3.31Å; F2175-S2177 PolarHBondContact O-N 3.08Å; F2175-L2178 HydrophobicContact CD1-CD1 4.02Å; F2175-L2178 PolarHBondContact O-N 3.12Å; F2175-Y2179 VanDerWaalsContact O-CB 3.31Å; F2175-Y2179 WeakPolarHBondContact O-CB 3.1Å; F2175-Y2179 PolarHBondContact O-N 3.01Å
2176	G	50.5	Low	46.1	Very low	34 Å²	34	50 Å²	50	35%	0.351	27%	0.272	S	S	.	.	H	α-helix	trans	-56.3	-44.1	168.9	0	0	0	0	0	111.6	N2172 L2174 W2180	N2172-G2176 VanDerWaalsContact O-CA 3.27Å; N2172-G2176 WeakPolarHBondContact O-CA 3.4Å; N2172-G2176 PolarHBondContact O-N 3.18Å; L2174-G2176 VanDerWaalsContact C-N 3.34Å; L2174-G2176 PolarHBondContact O-N 3.5Å; G2176-W2180 WeakPolarHBondContact O-CB 3.49Å; G2176-W2180 PolarHBondContact O-N 3.18Å
2177	S	50.1	Low	46	Very low	44 Å²	44	48.9 Å²	48.9	31%	0.308	28%	0.275	S	S	.	.	H	α-helix	trans	-69	-39	176.6	-66.1	0	0	0	0	113.2	D2173 L2174 F2175 W2180 I2181	D2173-S2177 WeakPolarHBondContact O-CB 3.4Å; D2173-S2177 PolarHBondContact O-N 3.08Å; D2173-S2177 PolarHBondContact O-OG 3.41Å; L2174-S2177 CarbonylContact O-C 3.51Å; L2174-S2177 WeakPolarHBondContact O-CA 3.47Å; L2174-S2177 WeakPolarHBondContact O-CB 3.5Å; L2174-S2177 PolarHBondContact O-N 2.77Å; L2174-S2177 VanDerWaalsContact O-N 3.08Å; F2175-S2177 VanDerWaalsContact C-N 3.31Å; F2175-S2177 PolarHBondContact O-N 3.08Å; S2177-W2180 PolarHBondContact O-N 3.32Å; S2177-W2180 VanDerWaalsContact O-N 3.15Å; S2177-I2181 WeakPolarHBondContact O-CB 3.04Å; S2177-I2181 WeakPolarHBondContact O-CD1 3.33Å; S2177-I2181 VanDerWaalsContact O-CG1 3.23Å; S2177-I2181 WeakPolarHBondContact O-CG1 3.48Å; S2177-I2181 PolarHBondContact O-N 3.44Å
2178	L	50.3	Low	45.6	Very low	1 Å²	1	45.2 Å²	45.2	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-62.8	-50.3	176	-68.3	164.2	0	0	0	110.6	H2101 A2105 F2108 L2174 F2175 W2180 W2182	H2101-L2178 HydrophobicContact CB-CD2 4.05Å; H2101-L2178 WeakPolarHBondContact O-CD2 3.35Å; A2105-L2178 HydrophobicContact CB-CD2 3.96Å; F2108-L2178 HydrophobicContact CD2-CD1 4.01Å; F2108-L2178 HydrophobicContact CE2-CD1 3.82Å; L2174-L2178 HydrophobicContact CD1-CD1 4.05Å; L2174-L2178 HydrophobicContact CD1-CG 4.19Å; L2174-L2178 HydrophobicContact CG-CD1 4.1Å; L2174-L2178 VanDerWaalsContact O-CG 3.28Å; L2174-L2178 WeakPolarHBondContact O-CG 3.48Å; L2174-L2178 PolarHBondContact O-N 3.36Å; F2175-L2178 HydrophobicContact CD1-CD1 4.02Å; F2175-L2178 PolarHBondContact O-N 3.12Å; L2178-W2180 PolarHBondContact O-N 3.41Å; L2178-W2182 WeakPolarHBondContact O-CB 3.19Å; L2178-W2182 PolarHBondContact O-N 3.09Å; L2178-W2182 VanDerWaalsContact O-N 3.16Å
2179	Y	52.3	Low	45	Very low	48 Å²	48	51.3 Å²	51.3	19%	0.188	28%	0.282	C	S	.	.	H	α-helix	trans	-58.7	-31.6	172	-176.9	-102.2	0	0	0	112.3	S923 L2016 F2175 N2183	S923-Y2179 PolarHBondContact OG-OH 2.73Å; L2016-Y2179 HydrophobicContact CD2-CD2 4.24Å; L2016-Y2179 HydrophobicContact CD2-CE2 3.52Å; F2175-Y2179 VanDerWaalsContact O-CB 3.31Å; F2175-Y2179 WeakPolarHBondContact O-CB 3.1Å; F2175-Y2179 PolarHBondContact O-N 3.01Å; Y2179-N2183 VanDerWaalsContact O-CB 3.23Å; Y2179-N2183 WeakPolarHBondContact O-CB 3.31Å; Y2179-N2183 PolarHBondContact O-N 3.32Å; Y2179-N2183 VanDerWaalsContact O-N 3.08Å
2180	W	46.2	Very low	44	Very low	44 Å²	44	57.5 Å²	57.5	17%	0.167	31%	0.308	C	S	.	.	H	α-helix	trans	-82.2	-42.3	-177.4	-161.2	93.7	0	0	0	114.3	K925 C926 G2176 S2177 L2178 W2182 N2183 D2184	K925-W2180 HydrophobicContact CB-CZ2 3.67Å; K925-W2180 HydrophobicContact CD-CH2 3.82Å; K925-W2180 HydrophobicContact CD-CZ2 3.24Å; K925-W2180 HydrophobicContact CG-CH2 4.36Å; K925-W2180 HydrophobicContact CG-CZ2 3.32Å; C926-W2180 HydrophobicContact CB-CZ2 4.1Å; C926-W2180 WeakPolarHBondContact SG-CZ2 3.31Å; G2176-W2180 WeakPolarHBondContact O-CB 3.49Å; G2176-W2180 PolarHBondContact O-N 3.18Å; S2177-W2180 PolarHBondContact O-N 3.32Å; S2177-W2180 VanDerWaalsContact O-N 3.15Å; L2178-W2180 PolarHBondContact O-N 3.41Å; W2180-W2182 PolarHBondContact O-N 3.37Å; W2180-N2183 CarbonylContact O-C 3.27Å; W2180-N2183 VanDerWaalsContact O-C 3.27Å; W2180-N2183 WeakPolarHBondContact O-CA 3.2Å; W2180-N2183 PolarHBondContact O-N 2.94Å; W2180-D2184 WeakPolarHBondContact CH2-OD2 3.38Å; W2180-D2184 HydrophobicContact CZ3-CB 4.25Å; W2180-D2184 WeakPolarHBondContact CZ3-OD2 3.16Å; W2180-D2184 PolarHBondContact O-N 2.83Å; W2180-D2184 VanDerWaalsContact O-N 3.07Å
2181	I	48.2	Very low	43.2	Very low	55 Å²	55	59 Å²	59	28%	0.282	31%	0.311	S	S	.	.	H	α-helix	trans	-55.7	-44.7	171.7	-72.6	163.6	0	0	0	108.5	H2101 S2177 N2183 D2184	H2101-I2181 HydrophobicContact CB-CD1 3.56Å; S2177-I2181 WeakPolarHBondContact O-CB 3.04Å; S2177-I2181 WeakPolarHBondContact O-CD1 3.33Å; S2177-I2181 VanDerWaalsContact O-CG1 3.23Å; S2177-I2181 WeakPolarHBondContact O-CG1 3.48Å; S2177-I2181 PolarHBondContact O-N 3.44Å; I2181-N2183 VanDerWaalsContact C-N 3.33Å; I2181-N2183 PolarHBondContact O-N 2.91Å; I2181-D2184 PolarHBondContact O-N 2.94Å
2182	W	44.5	Very low	42.1	Very low	7 Å²	7	64.1 Å²	64.1	3%	0.027	34%	0.339	C	S	.	.	H	α-helix	trans	-59.7	-40.1	172.9	-153.6	-69.3	0	0	0	113.7	L2016 K2019 V2020 L2023 A2105 A2109 L2114 L2178 W2180 D2184	L2016-W2182 HydrophobicContact CD1-CG 3.99Å; K2019-W2182 PolarHBondContact NZ-O 3.34Å; V2020-W2182 HydrophobicContact CB-CZ2 4.17Å; V2020-W2182 HydrophobicContact CG2-CD2 4.48Å; V2020-W2182 HydrophobicContact CG2-CH2 4.41Å; V2020-W2182 HydrophobicContact CG2-CZ2 3.5Å; V2020-W2182 VanDerWaalsContact CG2-CZ2 3.5Å; L2023-W2182 HydrophobicContact CB-CH2 3.48Å; L2023-W2182 VanDerWaalsContact CB-CH2 3.48Å; L2023-W2182 HydrophobicContact CB-CZ2 3.69Å; L2023-W2182 HydrophobicContact CD1-CH2 3.33Å; L2023-W2182 HydrophobicContact CD1-CZ2 3.3Å; L2023-W2182 HydrophobicContact CD1-CZ3 4.08Å; L2023-W2182 HydrophobicContact CG-CH2 3.98Å; L2023-W2182 HydrophobicContact CG-CZ2 4.05Å; A2105-W2182 HydrophobicContact CB-CE3 3.76Å; A2105-W2182 HydrophobicContact CB-CZ3 3.73Å; A2105-W2182 WeakPolarHBondContact O-CZ3 3.14Å; A2109-W2182 HydrophobicContact CB-CH2 3.48Å; A2109-W2182 VanDerWaalsContact CB-CH2 3.48Å; A2109-W2182 HydrophobicContact CB-CZ2 4.34Å; A2109-W2182 HydrophobicContact CB-CZ3 4.03Å; L2114-W2182 HydrophobicContact CD1-CD2 4.28Å; L2114-W2182 HydrophobicContact CD1-CE3 3.7Å; L2114-W2182 HydrophobicContact CD1-CH2 4.25Å; L2114-W2182 HydrophobicContact CD1-CZ3 3.68Å; L2178-W2182 WeakPolarHBondContact O-CB 3.19Å; L2178-W2182 PolarHBondContact O-N 3.09Å; L2178-W2182 VanDerWaalsContact O-N 3.16Å; W2180-W2182 PolarHBondContact O-N 3.37Å; W2182-D2184 VanDerWaalsContact C-N 3.31Å; W2182-D2184 PolarHBondContact O-N 3.09Å
2183	N	41.8	Very low	40.8	Very low	41 Å²	41	72.1 Å²	72.1	22%	0.219	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	22.2	-177.3	-149.6	-13.7	0	0	0	113.3	K925 Y2179 W2180 I2181	K925-N2183 PolarHBondContact NZ-O 3.38Å; K925-N2183 VanDerWaalsContact NZ-O 3.17Å; Y2179-N2183 VanDerWaalsContact O-CB 3.23Å; Y2179-N2183 WeakPolarHBondContact O-CB 3.31Å; Y2179-N2183 PolarHBondContact O-N 3.32Å; Y2179-N2183 VanDerWaalsContact O-N 3.08Å; W2180-N2183 CarbonylContact O-C 3.27Å; W2180-N2183 VanDerWaalsContact O-C 3.27Å; W2180-N2183 WeakPolarHBondContact O-CA 3.2Å; W2180-N2183 PolarHBondContact O-N 2.94Å; I2181-N2183 VanDerWaalsContact C-N 3.33Å; I2181-N2183 PolarHBondContact O-N 2.91Å
2184	D	41.4	Very low	39.4	Very low	41 Å²	41	71.9 Å²	71.9	22%	0.219	38%	0.382	C	S	.	.			trans	-94.1	144.8	159.4	-140.3	-18.8	0	0	0	112.2	K925 K2019 W2180 I2181 W2182 A2187	K925-D2184 IonicContact NZ-OD1 2.77Å; K925-D2184 PolarHBondContact NZ-OD1 2.77Å; K925-D2184 IonicContact NZ-OD2 3.15Å; K2019-D2184 PolarHBondContact NZ-O 2.97Å; W2180-D2184 WeakPolarHBondContact CH2-OD2 3.38Å; W2180-D2184 HydrophobicContact CZ3-CB 4.25Å; W2180-D2184 WeakPolarHBondContact CZ3-OD2 3.16Å; W2180-D2184 PolarHBondContact O-N 2.83Å; W2180-D2184 VanDerWaalsContact O-N 3.07Å; I2181-D2184 PolarHBondContact O-N 2.94Å; W2182-D2184 VanDerWaalsContact C-N 3.31Å; W2182-D2184 PolarHBondContact O-N 3.09Å; D2184-A2187 HydrophobicContact CB-CB 4.36Å
2185	K	36.5	Very low	38.1	Very low	138 Å²	138	75.7 Å²	75.7	60%	0.6	41%	0.412	S	S	*	.	S	Bend	trans	-85.7	-20.2	179.1	-74.4	-165.2	174	-170.8	0	112.1
2186	N	31.4	Very low	36.8	Very low	106 Å²	106	80.9 Å²	80.9	57%	0.567	45%	0.447	S	S	*	.	S	Bend	trans	-111.1	-3.6	-166.2	-62	19.8	0	0	0	114.6
2187	A	36.2	Very low	35.7	Very low	61 Å²	61	87.5 Å²	87.5	50%	0.504	47%	0.473	S	S	.	.	S	Bend	trans	-87.1	-22.3	-174.8	0	0	0	0	0	114.6	D2184	D2184-A2187 HydrophobicContact CB-CB 4.36Å
2188	L	34.1	Very low	34.5	Very low	32 Å²	32	90.9 Å²	90.9	17%	0.168	49%	0.492	C	S	.	.	S	Bend	trans	-122.1	9.6	-172.7	-66.6	175.1	0	0	0	113.9	L2033	L2033-L2188 WeakPolarHBondContact O-CD2 3.47Å
2189	Y	30.5	Very low	33.3	Very low	129 Å²	129	99.5 Å²	99.5	51%	0.506	53%	0.532	S	S	.	.	S	Bend	trans	-131	11.6	-176.7	-88.5	-99.3	0	0	0	113.8	K2022 S2191	K2022-Y2189 PolarHBondContact NZ-OH 2.79Å; Y2189-S2191 VanDerWaalsContact C-N 3.33Å
2190	Q	26	Very low	32.1	Very low	172 Å²	172	106 Å²	106	80%	0.804	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	16.9	173.8	-70.4	-161.9	-21	0	0	114.3
2191	S	28.2	Very low	31.2	Very low	75 Å²	75	113.1 Å²	113.1	52%	0.524	60%	0.596	S	S	.	*	T	Hydrogen-bonded Turn	trans	-103.8	-8.5	169.4	50.1	0	0	0	0	113.8	Y2189	Y2189-S2191 VanDerWaalsContact C-N 3.33Å
2192	L	26.1	Very low	29.9	Very low	128 Å²	128	118.2 Å²	118.2	67%	0.67	62%	0.623	S	S	*	*	S	Bend	trans	-129.1	38.2	-165.1	-89.4	162.3	0	0	0	113.9
2193	E	23.4	Very low	29	Very low	194 Å²	194	125 Å²	125	91%	0.907	66%	0.659	S	S	*	*	S	Bend	trans	-146.4	52.8	172.5	-143.4	167.9	-120.5	0	0	113
2194	S	23.8	Very low	28.3	Very low	106 Å²	106	130.7 Å²	130.7	74%	0.741	69%	0.69	S	S	*	*	S	Bend	trans	-149.9	40.7	175.2	54.4	0	0	0	0	114.6
2195	S	24.4	Very low	27.5	Very low	117 Å²	117	136 Å²	136	82%	0.818	72%	0.715	S	S	*	*			trans	-156	99.4	164.7	-80.8	0	0	0	0	112.7	L2197	S2195-L2197 PolarHBondContact O-N 2.86Å
2196	P	26.4	Very low	27	Very low	126 Å²	126	137.7 Å²	137.7	82%	0.818	73%	0.725	S	S	*	*			trans	-94.5	85.2	171.4	35.2	-30.1	0	0	0	111.3
2197	L	27.3	Very low	26.6	Very low	172 Å²	172	141.5 Å²	141.5	90%	0.901	74%	0.739	S	S	*	*			trans	-152.3	132.8	151.8	-145.4	77	0	0	0	110	S2195	S2195-L2197 PolarHBondContact O-N 2.86Å
2198	V	25.8	Very low	26.3	Very low	116 Å²	116	143.9 Å²	143.9	70%	0.703	75%	0.749	S	S	*	*			trans	-136.7	140.2	-173	163.1	0	0	0	0	109.2
2199	H	25.5	Very low	25.8	Very low	181 Å²	181	149.5 Å²	149.5	84%	0.838	78%	0.78	S	S	*	*			trans	53.5	117	171.7	-64.3	-44	0	0	0	119
2200	Q	25.5	Very low	25.5	Very low	185 Å²	185	148.7 Å²	148.7	86%	0.864	79%	0.789	S	S	*	*				-141.7	154.6	115	-121.2	-175.7	16	0	0	111.5
2201	K	28.9	Very low	25.4	Very low	194 Å²	194	146.1 Å²	146.1	84%	0.843	79%	0.789	S	S	*	*			trans	58.7	96.7	177	-70.3	-169.5	173.4	-175.5	0	118.2
2202	L	21	Very low	25.1	Very low	161 Å²	161	147.6 Å²	147.6	84%	0.843	80%	0.8	S	S	*	*			trans	-63.9	176.1	130.3	-138.8	77.4	0	0	0	109.9
2203	L	25.2	Very low	25	Very low	149 Å²	149	151.5 Å²	151.5	78%	0.78	81%	0.807	S	S	*	*			trans	78.3	89.5	-177.9	-51	173.1	0	0	0	115.2
2204	N	27.3	Very low	25	Very low	161 Å²	161	147.1 Å²	147.1	86%	0.861	80%	0.798	S	S	*	*				-168.1	-176	94.1	-99.9	3	0	0	0	112.5
2205	M	24.4	Very low	25	Very low	152 Å²	152	149.5 Å²	149.5	75%	0.749	80%	0.8	S	S	*	*			trans	-77.7	166.6	-164.1	-75.1	170.4	50.7	0	0	116.1
2206	E	26.5	Very low	24.9	Very low	175 Å²	175	149.7 Å²	149.7	82%	0.818	79%	0.793	S	S	*	*			trans	82.7	156	144.6	-87.9	172.9	147.6	0	0	122.4
2207	Q	22.4	Very low	24.8	Very low	186 Å²	186	150.7 Å²	150.7	87%	0.869	78%	0.784	S	S	*	*			trans	-68.5	170.2	-158.4	-80.1	-164.1	5.3	0	0	115.9
2208	P	28.9	Very low	24.6	Very low	110 Å²	110	148.4 Å²	148.4	71%	0.714	77%	0.769	S	S	*	*			trans	-88.2	153.1	-157	35	-35.3	0	0	0	113.7
2209	N	24	Very low	24.4	Very low	150 Å²	150	149.6 Å²	149.6	80%	0.802	77%	0.767	S	S	*	*			trans	-155.1	141.7	151.3	-105.3	-38.5	0	0	0	114.3
2210	T	24.7	Very low	24.3	Very low	113 Å²	113	145.2 Å²	145.2	69%	0.693	76%	0.756	S	S	*	*			trans	38.9	124.9	149	57.3	0	0	0	0	123.1
2211	S	23.5	Very low	24.4	Very low	117 Å²	117	144.2 Å²	144.2	82%	0.818	75%	0.751	S	S	*	*			trans	83.7	148	131.6	70.4	0	0	0	0	121.8
2212	S	22.8	Very low	24	Very low	106 Å²	106	142.2 Å²	142.2	74%	0.741	75%	0.749	S	S	*	*			trans	-106.9	-169.5	-178.7	-46.6	0	0	0	0	111.2
2213	Y	23.7	Very low	24.2	Very low	211 Å²	211	140.1 Å²	140.1	83%	0.827	74%	0.743	S	S	*	*			trans	84.4	114.1	-175.6	-65.7	-92.8	0	0	0	112.8
2214	S	23.1	Very low	24.2	Very low	102 Å²	102	138 Å²	138	71%	0.713	74%	0.737	S	S	*	*				87.2	171.6	53.8	-69.7	0	0	0	0	112.6
2215	I	24.5	Very low	24.1	Very low	155 Å²	155	138.3 Å²	138.3	80%	0.795	73%	0.733	S	S	*	*			trans	78.9	129.1	175.9	-61.5	173.9	0	0	0	113.8
2216	N	22.6	Very low	24.1	Very low	122 Å²	122	138 Å²	138	65%	0.652	73%	0.729	S	S	*	*			cis	-168.2	-178.4	-26.3	-140.5	-31.8	0	0	0	110.7
2217	K	24.3	Very low	23.8	Very low	147 Å²	147	136.8 Å²	136.8	64%	0.639	72%	0.724	S	S	*	*			trans	58.7	128.3	139.4	-79.7	162.9	151.8	-101.1	0	120.7
2218	Q	21.7	Very low	23.8	Very low	123 Å²	123	132.2 Å²	132.2	58%	0.575	71%	0.712	S	S	*	*			trans	72.7	145.8	131.8	-64.6	171.8	-85.9	0	0	116.9
2219	E	22.6	Very low	23.5	Very low	142 Å²	142	133.3 Å²	133.3	66%	0.664	71%	0.712	S	S	*	*			cis	-154.2	130.5	-4.4	-131.7	151.5	-162.8	0	0	114.7
2220	S	23.4	Very low	23.4	Very low	88 Å²	88	133 Å²	133	62%	0.615	71%	0.705	S	S	*	*			trans	64.1	163.9	136.4	80.7	0	0	0	0	122.1
2221	Q	26.9	Very low	23.4	Very low	164 Å²	164	133.6 Å²	133.6	77%	0.766	70%	0.704	S	S	*	*			trans	65.7	119.2	160.2	-63.7	177.5	54.3	0	0	115.4
2222	L	21.4	Very low	23.4	Very low	152 Å²	152	136.3 Å²	136.3	80%	0.796	71%	0.706	S	S	*	*				49.7	110.7	65.4	-63.2	157.9	0	0	0	109.6
2223	T	24.8	Very low	23.6	Very low	117 Å²	117	137.4 Å²	137.4	72%	0.718	70%	0.702	S	S	*	*				-169.9	147.3	68.7	40.3	0	0	0	0	112.9
2224	T	23.9	Very low	23.8	Very low	106 Å²	106	133.4 Å²	133.4	65%	0.65	70%	0.695	S	S	*	*			trans	51.8	143.8	139.1	61.6	0	0	0	0	123.5
2225	Q	26.2	Very low	24	Very low	166 Å²	166	132.4 Å²	132.4	78%	0.776	69%	0.688	S	S	*	*			trans	72.8	149.9	143.5	-77.9	168.9	11.7	0	0	118.3
2226	H	23.6	Very low	24.2	Very low	146 Å²	146	132.9 Å²	132.9	68%	0.676	68%	0.684	S	S	*	*			cis	-154	179.9	-29.7	-142.8	-120.1	0	0	0	109.5
2227	E	21.5	Very low	24.5	Very low	150 Å²	150	133.6 Å²	133.6	70%	0.701	69%	0.688	S	S	*	*			trans	-29.6	154.8	147.5	-66.4	170.9	168.3	0	0	115.5
2228	S	22.6	Very low	25	Very low	89 Å²	89	131.3 Å²	131.3	62%	0.622	69%	0.691	S	S	*	*			cis	178.6	-166.3	-6.1	53.2	0	0	0	0	110.6
2229	L	21.8	Very low	25.2	Very low	134 Å²	134	129 Å²	129	70%	0.702	70%	0.7	S	S	*	*			trans	82	118.9	149.4	-71.1	161.2	0	0	0	120.1
2230	H	22.9	Very low	25.7	Very low	142 Å²	142	126.4 Å²	126.4	66%	0.657	70%	0.695	S	S	*	*			trans	85.7	120.6	132.1	-80.6	-34.6	0	0	0	122.1
2231	N	23.2	Very low	25.9	Very low	126 Å²	126	127.7 Å²	127.7	67%	0.674	70%	0.704	S	S	*	*				39.7	99.5	117.6	-52.5	19.5	0	0	0	116.8
2232	M	23.6	Very low	26	Very low	175 Å²	175	126.7 Å²	126.7	86%	0.862	70%	0.697	S	S	*	*			trans	175	150.3	136.6	-99.4	176.6	-71.1	0	0	106.8
2233	I	26.9	Very low	26.2	Very low	129 Å²	129	128.7 Å²	128.7	66%	0.662	70%	0.7	S	S	*	*			cis	-162.5	160.7	-14.1	-139	172	0	0	0	106.2
2234	N	28.7	Very low	26.3	Very low	127 Å²	127	128.4 Å²	128.4	68%	0.679	69%	0.693	S	S	*	*			trans	64.1	143.6	173.6	-62.2	-13.1	0	0	0	116.4
2235	S	26.9	Very low	26.7	Very low	81 Å²	81	128.7 Å²	128.7	57%	0.566	70%	0.697	S	S	*	*			cis	82.2	141.6	29	-163.3	0	0	0	0	114.1
2236	F	29.3	Very low	26.8	Very low	164 Å²	164	130.2 Å²	130.2	72%	0.719	70%	0.697	S	S	*	*			trans	70.9	140.7	176.3	-47.8	-65.7	0	0	0	114.6
2237	D	28.6	Very low	26.9	Very low	138 Å²	138	129.6 Å²	129.6	74%	0.738	69%	0.694	S	S	*	*			cis	-160.3	-173.4	-15.6	-138.6	-39	0	0	0	112.2
2238	S	34.1	Very low	27.1	Very low	98 Å²	98	129 Å²	129	69%	0.685	69%	0.691	S	S	*	*			trans	64.4	71.5	149.9	68.7	0	0	0	0	118.2
2239	G	27.6	Very low	27.5	Very low	75 Å²	75	131.9 Å²	131.9	77%	0.773	69%	0.692	S	S	*	*				-99.2	129.1	119.8	0	0	0	0	0	108.9
2240	P	32.8	Very low	27.8	Very low	87 Å²	87	130.2 Å²	130.2	57%	0.565	68%	0.681	S	S	*	*			trans	-155	130.6	136.3	33.8	-14.1	0	0	0	117.4	K2242	P2240-K2242 HydrophobicContact CB-CD 3.7Å; P2240-K2242 HydrophobicContact CB-CG 4.09Å
2241	S	26.5	Very low	27.9	Very low	115 Å²	115	127.2 Å²	127.2	80%	0.804	67%	0.669	S	S	*	*				-166.1	90.9	114.8	56.8	0	0	0	0	108.4
2242	K	28.5	Very low	28.2	Very low	143 Å²	143	127.7 Å²	127.7	62%	0.622	67%	0.667	S	S	*	*				64	132.8	72.1	-62.6	176	169.1	171.8	0	111.1	P2240 I2244	P2240-K2242 HydrophobicContact CB-CD 3.7Å; P2240-K2242 HydrophobicContact CB-CG 4.09Å; K2242-I2244 HydrophobicContact CB-CD1 4Å; K2242-I2244 HydrophobicContact CB-CG1 4.25Å; K2242-I2244 HydrophobicContact CD-CD1 3.7Å; K2242-I2244 HydrophobicContact CD-CG1 4.49Å; K2242-I2244 HydrophobicContact CG-CD1 3.83Å; K2242-I2244 HydrophobicContact CG-CG1 4.12Å
2243	F	26.1	Very low	28.4	Very low	195 Å²	195	123.6 Å²	123.6	86%	0.855	66%	0.656	S	S	*	*			cis	-109.4	146.1	35.3	-71.2	-105.1	0	0	0	113.5
2244	I	27.3	Very low	28.4	Very low	111 Å²	111	123.5 Å²	123.5	57%	0.569	66%	0.662	S	S	*	*			cis	79.8	131.4	43.7	-67.4	174.8	0	0	0	111.9	K2242	K2242-I2244 HydrophobicContact CB-CD1 4Å; K2242-I2244 HydrophobicContact CB-CG1 4.25Å; K2242-I2244 HydrophobicContact CD-CD1 3.7Å; K2242-I2244 HydrophobicContact CD-CG1 4.49Å; K2242-I2244 HydrophobicContact CG-CD1 3.83Å; K2242-I2244 HydrophobicContact CG-CG1 4.12Å
2245	P	32.1	Very low	28.2	Very low	111 Å²	111	122 Å²	122	72%	0.721	66%	0.662	S	S	*	*			cis	-118.9	-157.2	5.3	45.8	-32	0	0	0	112.3
2246	Y	28.5	Very low	28.1	Very low	199 Å²	199	124.8 Å²	124.8	78%	0.78	68%	0.675	S	S	*	*			cis	-145.1	-106.1	-2.9	-150.2	1.7	0	0	0	116.7
2247	Q	26.3	Very low	27.9	Very low	133 Å²	133	124.9 Å²	124.9	62%	0.621	68%	0.677	S	S	*	*			trans	-164.2	163.2	-152.4	-84	179.7	-5.6	0	0	110.9
2248	H	25.9	Very low	27.5	Very low	137 Å²	137	124 Å²	124	63%	0.634	67%	0.673	S	S	*	*			cis	-165.2	155.5	-1.6	-123.6	-41.9	0	0	0	112.4
2249	K	29	Very low	27	Very low	149 Å²	149	127.6 Å²	127.6	65%	0.648	68%	0.676	S	S	*	*			trans	73.1	147.7	150.8	-67.9	174.2	169.6	-128.7	0	119.4
2250	H	28.2	Very low	26.7	Very low	100 Å²	100	131.4 Å²	131.4	46%	0.463	68%	0.678	S	S	.	*			cis	-153.3	147.4	-5.1	-108.6	-59.1	0	0	0	112.3	P1428	P1428-H2250 WeakPolarHBondContact CD-O 3.36Å; P1428-H2250 WeakPolarHBondContact CG-O 3.46Å
2251	D	26.3	Very low	26.2	Very low	78 Å²	78	132.4 Å²	132.4	42%	0.417	69%	0.688	S	S	.	*			trans	72.2	101.2	136	-56.7	-10.1	0	0	0	127.8	S1427 P1428	S1427-D2251 PolarHBondContact OG-O 2.92Å; S1427-D2251 VanDerWaalsContact OG-O 3.05Å; P1428-D2251 WeakPolarHBondContact CD-O 3.39Å
2252	H	28.9	Very low	26	Very low	136 Å²	136	131.5 Å²	131.5	63%	0.63	68%	0.681	S	S	*	*			trans	82.6	137.7	146.9	-45.4	-38.2	0	0	0	120.5	S1427 P1428	S1427-H2252 CarbonylContact C-O 3.4Å; P1428-H2252 WeakPolarHBondContact CD-O 3.42Å; P1428-H2252 VanDerWaalsContact N-O 3.13Å; P1428-H2252 CarbonylContact O-C 3.49Å; P1428-H2252 VanDerWaalsContact O-C 3.31Å
2253	S	26.9	Very low	25.8	Very low	90 Å²	90	131.4 Å²	131.4	63%	0.629	69%	0.687	S	S	*	*			cis	-172.4	142.6	-8.4	53.5	0	0	0	0	114.4
2254	T	28.5	Very low	25.7	Very low	127 Å²	127	126.5 Å²	126.5	78%	0.779	68%	0.678	S	S	*	*			trans	38.1	153.3	143.1	58.8	0	0	0	0	123.7
2255	S	23.6	Very low	25.5	Very low	96 Å²	96	127.8 Å²	127.8	67%	0.671	69%	0.685	S	S	*	*			cis	158.6	138.9	-35.9	54.3	0	0	0	0	111.4
2256	V	26.1	Very low	25.1	Very low	139 Å²	139	131.5 Å²	131.5	84%	0.842	69%	0.69	S	S	*	*			trans	75.4	159.5	154.9	176.4	0	0	0	0	118.9
2257	E	23.8	Very low	24.8	Very low	165 Å²	165	132.1 Å²	132.1	77%	0.771	69%	0.691	S	S	*	*			trans	-103.1	163.1	-155.7	-45	150.3	108	0	0	114.7
2258	N	21.3	Very low	24.7	Very low	121 Å²	121	134.3 Å²	134.3	65%	0.647	71%	0.706	S	S	*	*				-174.4	145.8	125.3	-111.2	-96.9	0	0	0	114.7
2259	K	22.3	Very low	24.7	Very low	172 Å²	172	132.1 Å²	132.1	75%	0.748	70%	0.702	S	S	*	*			trans	50.1	119.3	147	-72	161.5	-173.3	142.6	0	122.5
2260	N	21.8	Very low	24.5	Very low	155 Å²	155	131 Å²	131	83%	0.829	71%	0.708	S	S	*	*				36.3	112	128.3	-59.1	-5.7	0	0	0	120.7
2261	S	22.5	Very low	24.2	Very low	109 Å²	109	134 Å²	134	76%	0.762	72%	0.723	S	S	*	*				-170	118.4	118.9	62.2	0	0	0	0	115
2262	S	21.7	Very low	24.2	Very low	95 Å²	95	136.6 Å²	136.6	66%	0.664	73%	0.73	S	S	*	*			trans	51.3	146.7	137.7	69.2	0	0	0	0	123.7
2263	N	25.2	Very low	24.1	Very low	141 Å²	141	132.6 Å²	132.6	75%	0.754	72%	0.718	S	S	*	*			trans	76.7	100.9	157.1	-56.4	-36	0	0	0	116.2
2264	S	22.5	Very low	24	Very low	93 Å²	93	136.5 Å²	136.5	65%	0.65	72%	0.718	S	S	*	*				77.7	141	73.6	80.9	0	0	0	0	113.2
2265	L	24.2	Very low	24	Very low	138 Å²	138	139.5 Å²	139.5	72%	0.723	72%	0.715	S	S	*	*			cis	-143	165	23.9	-74	164.7	0	0	0	112.1
2266	F	23.5	Very low	24.3	Very low	188 Å²	188	139.9 Å²	139.9	83%	0.825	70%	0.702	S	S	*	*			trans	22.7	143	148.9	-60.6	-62.2	0	0	0	120.2
2267	R	23.3	Very low	24.5	Very low	213 Å²	213	138 Å²	138	80%	0.804	69%	0.687	S	S	*	*			cis	-173.8	131.6	47.9	-158.9	-177.2	-155.1	-178.1	7.6	112.5	T2269	R2267-T2269 HydrophobicContact CG-CG2 4.1Å
2268	L	24.4	Very low	24.7	Very low	179 Å²	179	136.8 Å²	136.8	94%	0.937	68%	0.684	S	S	*	*			trans	-139	136.1	151.5	-110.5	168.6	0	0	0	108.3
2269	T	24.9	Very low	24.9	Very low	90 Å²	90	134.1 Å²	134.1	55%	0.552	67%	0.673	S	S	*	*			trans	-134.1	128	-169.9	46.9	0	0	0	0	111.6	R2267	R2267-T2269 HydrophobicContact CG-CG2 4.1Å
2270	T	24.9	Very low	25.1	Very low	125 Å²	125	129.6 Å²	129.6	77%	0.767	66%	0.661	S	S	*	*			trans	54.5	111.7	146.1	58.4	0	0	0	0	118.9
2271	E	22.7	Very low	25.5	Very low	165 Å²	165	133 Å²	133	77%	0.771	66%	0.662	S	S	*	*				-162.3	125.8	109.9	-103	-58.1	136.7	0	0	108.1
2272	F	24.8	Very low	25.7	Very low	132 Å²	132	137.9 Å²	137.9	58%	0.579	66%	0.664	S	S	*	*			trans	-168.8	120.9	156.9	-100.2	-56.3	0	0	0	113	N916	N916-F2272 HydrophobicContact CB-CD1 4.06Å; N916-F2272 HydrophobicContact CB-CE1 3.4Å; N916-F2272 HydrophobicContact CB-CE2 3.91Å; N916-F2272 HydrophobicContact CB-CZ 3.34Å; N916-F2272 WeakPolarHBondContact ND2-CD1 3.35Å; N916-F2272 WeakPolarHBondContact ND2-CD2 3.45Å; N916-F2272 WeakPolarHBondContact ND2-CE1 3.45Å; N916-F2272 WeakPolarHBondContact ND2-CE2 3.26Å; N916-F2272 WeakPolarHBondContact ND2-CG 3.4Å
2273	S	27.2	Very low	26	Very low	52 Å²	52	141.9 Å²	141.9	36%	0.364	67%	0.665	S	S	.	*			trans	39.6	105.6	157.5	-59	0	0	0	0	120.4	L924	L924-S2273 WeakPolarHBondContact CD1-O 3.47Å
2274	R	25.2	Very low	26	Very low	172 Å²	172	145.1 Å²	145.1	65%	0.649	67%	0.672	S	S	*	*			trans	-112.1	119.7	151.8	-64.6	171.9	171.8	-123.4	-7.4	109.2	C926	C926-R2274 PolarHBondContact O-NH1 3.25Å
2275	R	28.7	Very low	26.2	Very low	189 Å²	189	145.8 Å²	145.8	71%	0.713	67%	0.672	S	S	*	*	B	Isolated β-bridge	trans	-147.5	53.4	167.9	-79.1	-157.1	177.4	-145.4	2.7	112.7	I922 S923 L924 I2277	I922-R2275 CarbonylContact C-O 3.31Å; I922-R2275 VanDerWaalsContact C-O 3.32Å; I922-R2275 CarbonylContact O-C 3.57Å; I922-R2275 WeakPolarHBondContact O-CA 3.45Å; I922-R2275 WeakPolarHBondContact O-CB 3.13Å; I922-R2275 PolarHBondContact O-N 2.97Å; I922-R2275 VanDerWaalsContact O-O 3.1Å; S923-R2275 CarbonylContact O-C 3.55Å; L924-R2275 PolarHBondContact O-N 2.82Å; R2275-I2277 PolarHBondContact O-N 3.36Å; R2275-I2277 VanDerWaalsContact O-N 3.08Å
2276	R	29.6	Very low	26.2	Very low	105 Å²	105	145.4 Å²	145.4	40%	0.396	68%	0.675	S	S	.	*			trans	-53.4	116.1	160.5	-106.3	-177.4	-165.3	179.6	7.3	109.4	S923 L924	S923-R2276 WeakPolarHBondContact O-CA 3.29Å; S923-R2276 WeakPolarHBondContact O-CG 3.25Å; S923-R2276 PolarHBondContact O-N 2.72Å; S923-R2276 VanDerWaalsContact O-N 3.11Å; L924-R2276 PolarHBondContact O-N 2.89Å
2277	I	29.9	Very low	26.2	Very low	100 Å²	100	142.5 Å²	142.5	51%	0.513	67%	0.673	S	S	.	*			trans	-55.6	139.4	164	-66.9	177.4	0	0	0	107.4	L921 R2275 P2279	L921-I2277 HydrophobicContact CD2-CD1 3.59Å; R2275-I2277 PolarHBondContact O-N 3.36Å; R2275-I2277 VanDerWaalsContact O-N 3.08Å; I2277-P2279 WeakPolarHBondContact O-CD 3.46Å
2278	I	28.5	Very low	26.4	Very low	138 Å²	138	135.4 Å²	135.4	71%	0.708	67%	0.667	S	S	*	*			trans	-95.7	112.5	-168.2	-63.3	170.5	0	0	0	107.9
2279	P	25.2	Very low	26.4	Very low	66 Å²	66	132.7 Å²	132.7	43%	0.429	66%	0.657	S	S	.	*			trans	-64	149.2	168.9	28.5	-34.5	0	0	0	109.5	I2277 R2281	I2277-P2279 WeakPolarHBondContact O-CD 3.46Å; P2279-R2281 PolarHBondContact O-N 2.87Å
2280	P	26	Very low	26.5	Very low	77 Å²	77	135.3 Å²	135.3	50%	0.5	67%	0.668	S	S	.	*			trans	-66	93.7	-172.6	26.6	-34.2	0	0	0	111.2	D2156 R2282	D2156-P2280 WeakPolarHBondContact OD2-CD 3.33Å; P2280-R2282 VanDerWaalsContact C-N 3.34Å; P2280-R2282 PolarHBondContact O-N 3.14Å
2281	R	30.9	Very low	26.4	Very low	225 Å²	225	136.3 Å²	136.3	85%	0.849	67%	0.668	S	S	*	*			trans	-64.7	83	-174.5	-88	-173.6	166.5	166	-2.5	113.6	P2279 R2283	P2279-R2281 PolarHBondContact O-N 2.87Å; R2281-R2283 PolarHBondContact O-N 3.22Å
2282	R	26.9	Very low	26.5	Very low	212 Å²	212	134.1 Å²	134.1	80%	0.8	67%	0.668	S	S	*	*			trans	-79.1	56.9	167.3	-148.6	175.4	-171.3	174.1	1.3	111.9	P2280	P2280-R2282 VanDerWaalsContact C-N 3.34Å; P2280-R2282 PolarHBondContact O-N 3.14Å
2283	R	28.3	Very low	26.5	Very low	180 Å²	180	137 Å²	137	68%	0.679	68%	0.68	S	S	*	*			trans	-143.1	97.3	163.8	-87.4	-173	-175.6	-177.1	3.1	110.7	R2281 T2285	R2281-R2283 PolarHBondContact O-N 3.22Å; R2283-T2285 HydrophobicContact CB-CG2 4.46Å; R2283-T2285 PolarHBondContact O-N 2.95Å
2284	K	25.2	Very low	26.4	Very low	209 Å²	209	139.9 Å²	139.9	91%	0.909	70%	0.696	S	S	*	*			trans	-73.9	65.3	164.2	-78.6	-173.6	176.3	178.1	0	110.1	V2286	K2284-V2286 PolarHBondContact O-N 3.12Å
2285	T	25.6	Very low	26.4	Very low	107 Å²	107	137.6 Å²	137.6	66%	0.656	70%	0.703	S	S	*	*			trans	-70.4	99.6	167.2	47	0	0	0	0	108.9	R2283 T2287	R2283-T2285 HydrophobicContact CB-CG2 4.46Å; R2283-T2285 PolarHBondContact O-N 2.95Å; T2285-T2287 PolarHBondContact O-N 3.19Å
2286	V	24.2	Very low	26.3	Very low	129 Å²	129	134.2 Å²	134.2	78%	0.782	70%	0.699	S	S	*	*			trans	-70.7	94	-179.7	-179.2	0	0	0	0	110.1	K2284	K2284-V2286 PolarHBondContact O-N 3.12Å
2287	T	24	Very low	26.1	Very low	127 Å²	127	137.4 Å²	137.4	78%	0.779	72%	0.72	S	S	*	*			trans	-122.5	35.7	161.8	61.4	0	0	0	0	111.4	T2285 V2289	T2285-T2287 PolarHBondContact O-N 3.19Å; T2287-V2289 PolarHBondContact O-N 2.84Å
2288	G	26.4	Very low	26	Very low	65 Å²	65	140.2 Å²	140.2	67%	0.67	73%	0.732	S	S	*	*			trans	-83.6	53.3	162.7	0	0	0	0	0	111.2	N2290	G2288-N2290 PolarHBondContact O-N 3.47Å
2289	V	25.2	Very low	25.9	Very low	121 Å²	121	141.7 Å²	141.7	73%	0.733	74%	0.735	S	S	*	*			trans	-73.7	78.2	172.6	-176.2	0	0	0	0	108.1	T2287 L2291	T2287-V2289 PolarHBondContact O-N 2.84Å; V2289-L2291 PolarHBondContact O-N 3.43Å
2290	N	26.3	Very low	26	Very low	146 Å²	146	142.3 Å²	142.3	78%	0.781	74%	0.741	S	S	*	*			trans	-59.3	132	156.3	-88.5	-35.1	0	0	0	107.5	G2288 P2292	G2288-N2290 PolarHBondContact O-N 3.47Å; N2290-P2292 WeakPolarHBondContact O-CD 3.05Å
2291	L	23.8	Very low	26	Very low	146 Å²	146	145.5 Å²	145.5	76%	0.764	75%	0.754	S	S	*	*			trans	-56	128.6	170.8	-74.6	63.4	0	0	0	107.7	V2289 K2293	V2289-L2291 PolarHBondContact O-N 3.43Å; L2291-K2293 PolarHBondContact O-N 3.1Å
2292	P	25.5	Very low	25.8	Very low	119 Å²	119	142.3 Å²	142.3	77%	0.773	75%	0.749	S	S	*	*			trans	-56.7	114	155.3	-16.8	30.5	0	0	0	106.3	N2290 T2294	N2290-P2292 WeakPolarHBondContact O-CD 3.05Å; P2292-T2294 PolarHBondContact O-N 3.06Å
2293	K	25	Very low	25.8	Very low	192 Å²	192	137.6 Å²	137.6	84%	0.835	74%	0.738	S	S	*	*			trans	-60.7	128.9	164.7	-77.8	-178	177.2	178.1	0	106.5	L2291 P2295	L2291-K2293 PolarHBondContact O-N 3.1Å; K2293-P2295 WeakPolarHBondContact O-CD 3.41Å
2294	T	25	Very low	25.6	Very low	113 Å²	113	137.7 Å²	137.7	69%	0.693	74%	0.743	S	S	*	*			trans	-54.8	116.6	164.6	44.2	0	0	0	0	109.5	P2292 N2296	P2292-T2294 PolarHBondContact O-N 3.06Å; T2294-N2296 PolarHBondContact O-N 2.72Å
2295	P	24.7	Very low	25.8	Very low	123 Å²	123	132.8 Å²	132.8	80%	0.799	74%	0.735	S	S	*	*			trans	-72.9	105.2	151.2	31.4	-26.3	0	0	0	105.9	K2293 M2297	K2293-P2295 WeakPolarHBondContact O-CD 3.41Å; P2295-M2297 PolarHBondContact O-N 3.38Å
2296	N	27.1	Very low	25.9	Very low	119 Å²	119	131.9 Å²	131.9	64%	0.636	73%	0.734	S	S	*	*			trans	-66.5	132	166.4	-79.4	-8.7	0	0	0	107.6	T2294 E2298	T2294-N2296 PolarHBondContact O-N 2.72Å; N2296-E2298 HydrophobicContact CB-CG 4.1Å; N2296-E2298 PolarHBondContact O-N 3.38Å
2297	M	25.1	Very low	26	Very low	171 Å²	171	131.3 Å²	131.3	84%	0.842	73%	0.732	S	S	*	*			trans	-68.2	91.7	151.6	-84	174.3	57.9	0	0	107.2	P2295 H2299	P2295-M2297 PolarHBondContact O-N 3.38Å; M2297-H2299 PolarHBondContact O-N 3.29Å
2298	E	27	Very low	25.9	Very low	160 Å²	160	130.4 Å²	130.4	75%	0.748	73%	0.727	S	S	*	*			trans	-73.4	107.1	165.9	-67.7	-171.4	157.8	0	0	108.9	N2296	N2296-E2298 HydrophobicContact CB-CG 4.1Å; N2296-E2298 PolarHBondContact O-N 3.38Å
2299	H	27.7	Very low	25.9	Very low	168 Å²	168	136 Å²	136	78%	0.778	73%	0.733	S	S	*	*			trans	-127.1	98.3	143.8	-84.7	-60.5	0	0	0	106.8	M2297	M2297-H2299 PolarHBondContact O-N 3.29Å
2300	S	25.9	Very low	25.9	Very low	80 Å²	80	136 Å²	136	56%	0.559	73%	0.727	S	S	*	*				69	114.2	77.7	76.2	0	0	0	0	110
2301	N	26.8	Very low	25.7	Very low	144 Å²	144	138.3 Å²	138.3	77%	0.77	73%	0.734	S	S	*	*			cis	-153.4	166.2	25.3	-103	-18.9	0	0	0	114.2
2302	E	25.6	Very low	25.7	Very low	157 Å²	157	135.5 Å²	135.5	73%	0.734	72%	0.716	S	S	*	*			trans	66.6	130.2	145.9	-78	-168	133.5	0	0	122.8
2303	I	27.4	Very low	25.6	Very low	113 Å²	113	135 Å²	135	58%	0.579	71%	0.707	S	S	*	*				75.1	107.6	129.1	-66.6	175.9	0	0	0	119.7	S2305	I2303-S2305 PolarHBondContact O-N 3.34Å
2304	K	23.7	Very low	25.6	Very low	182 Å²	182	128 Å²	128	79%	0.791	68%	0.681	S	S	*	*			trans	50.8	65.8	133.6	-51.9	175.7	-164	165.3	0	118.3
2305	S	30.1	Very low	25.6	Very low	106 Å²	106	125.6 Å²	125.6	74%	0.741	66%	0.66	S	S	*	*				-156	126.5	125.1	36.9	0	0	0	0	109.5	I2303	I2303-S2305 PolarHBondContact O-N 3.34Å
2306	S	26.6	Very low	25.5	Very low	88 Å²	88	127 Å²	127	62%	0.615	66%	0.656	S	S	*	*			cis	51.9	81.7	13.6	77.9	0	0	0	0	112
2307	P	27.1	Very low	25.3	Very low	117 Å²	117	124.3 Å²	124.3	76%	0.76	64%	0.641	S	S	*	*				-81.5	145.9	59.7	-21.7	35.1	0	0	0	114.5
2308	T	22.7	Very low	25.3	Very low	108 Å²	108	119.1 Å²	119.1	66%	0.663	62%	0.619	S	S	*	*			cis	71.4	133.4	30.5	-32.6	0	0	0	0	113.6
2309	K	25	Very low	25.6	Very low	184 Å²	184	118 Å²	118	80%	0.8	61%	0.614	S	S	*	*			trans	74.5	175.9	171.5	-46.1	171	-173.5	168.5	0	115.2
2310	I	25.8	Very low	25.6	Very low	120 Å²	120	110.9 Å²	110.9	62%	0.615	58%	0.582	S	S	*	*			trans	61.2	43	164.7	-30.1	-170.7	0	0	0	117	H2312	I2310-H2312 HydrophobicContact CB-CB 4.42Å; I2310-H2312 HydrophobicContact CG2-CB 3.81Å
2311	Q	21.9	Very low	25.6	Very low	195 Å²	195	109.4 Å²	109.4	91%	0.911	57%	0.571	S	S	*	*				-120.8	97.6	107	-71.1	-167.1	-2.6	0	0	105.4
2312	H	24.9	Very low	25.6	Very low	87 Å²	87	105.4 Å²	105.4	40%	0.403	55%	0.554	S	S	.	*			cis	51.4	126.8	40.5	-88.1	-128.4	0	0	0	109.8	E460 I2310	E460-H2312 IonicContact OE1-CE1 2.67Å; E460-H2312 PolarHBondContact OE1-CE1 3.12Å; E460-H2312 IonicContact OE1-ND1 3.17Å; E460-H2312 PolarHBondContact OE1-ND1 3.25Å; E460-H2312 VanDerWaalsContact OE1-ND1 3.15Å; I2310-H2312 HydrophobicContact CB-CB 4.42Å; I2310-H2312 HydrophobicContact CG2-CB 3.81Å
2313	N	23.4	Very low	25.7	Very low	109 Å²	109	103.2 Å²	103.2	58%	0.583	55%	0.546	S	S	*	.				51.4	118.1	77.3	-70.6	-26.8	0	0	0	110.2	Y459	Y459-N2313 HydrophobicContact CE2-CB 3.8Å; Y459-N2313 WeakPolarHBondContact OH-CB 3.3Å
2314	V	24.9	Very low	25.8	Very low	45 Å²	45	102.4 Å²	102.4	27%	0.273	54%	0.542	S	S	.	.			cis	-170	166.8	14.9	76.3	0	0	0	0	114.9	Y459 H2316	Y459-V2314 HydrophobicContact CD2-CB 4.25Å; Y459-V2314 HydrophobicContact CD2-CG1 4.15Å; Y459-V2314 HydrophobicContact CD2-CG2 3.98Å; Y459-V2314 HydrophobicContact CE1-CG1 4.34Å; Y459-V2314 HydrophobicContact CE2-CB 3.37Å; Y459-V2314 HydrophobicContact CE2-CG1 3.41Å; Y459-V2314 VanDerWaalsContact CE2-CG1 3.41Å; Y459-V2314 HydrophobicContact CE2-CG2 3.49Å; Y459-V2314 VanDerWaalsContact CE2-CG2 3.49Å; V2314-H2316 PolarHBondContact O-N 3.34Å
2315	K	25.4	Very low	25.9	Very low	61 Å²	61	96.6 Å²	96.6	27%	0.265	52%	0.519	S	S	.	.			trans	53.9	-105.1	162.1	-67.2	129.5	144	-173.9	0	112.1	H458 L2317 S2321	H458-K2315 VanDerWaalsContact CB-CE 3.43Å; H458-K2315 WeakPolarHBondContact CD2-CE 3.25Å; H458-K2315 PolarHBondContact CD2-NZ 3.41Å; H458-K2315 WeakPolarHBondContact CE1-CD 3.3Å; H458-K2315 WeakPolarHBondContact CE1-CE 3.24Å; H458-K2315 PolarHBondContact CE1-NZ 3.49Å; H458-K2315 WeakPolarHBondContact ND1-CD 3.34Å; H458-K2315 WeakPolarHBondContact ND1-CE 3.41Å; H458-K2315 PolarHBondContact ND1-NZ 3.42Å; H458-K2315 WeakPolarHBondContact NE2-CD 3.48Å; H458-K2315 WeakPolarHBondContact NE2-CE 3.48Å; H458-K2315 PolarHBondContact NE2-NZ 3.42Å; K2315-L2317 HydrophobicContact CB-CB 3.69Å; K2315-L2317 HydrophobicContact CB-CG 4.06Å; K2315-L2317 VanDerWaalsContact CB-O 3.29Å; K2315-L2317 WeakPolarHBondContact CB-O 3.15Å; K2315-L2317 HydrophobicContact CD-CB 3.77Å; K2315-L2317 WeakPolarHBondContact CD-O 3.34Å; K2315-L2317 HydrophobicContact CG-CB 3.76Å; K2315-L2317 HydrophobicContact CG-CD1 4.1Å; K2315-L2317 HydrophobicContact CG-CG 4.07Å; K2315-S2321 PolarHBondContact NZ-OG 2.71Å
2316	H	22.3	Very low	25.7	Very low	152 Å²	152	101.6 Å²	101.6	70%	0.704	52%	0.522	S	S	*	.	S	Bend	cis	-92.6	146	-6.5	-156	-91.9	0	0	0	109.9	V2314 T2318	V2314-H2316 PolarHBondContact O-N 3.34Å; H2316-T2318 PolarHBondContact CE1-N 3.05Å; H2316-T2318 PolarHBondContact CE1-O 3.01Å; H2316-T2318 PolarHBondContact ND1-O 2.96Å; H2316-T2318 VanDerWaalsContact ND1-O 3.15Å; H2316-T2318 PolarHBondContact NE2-N 2.72Å
2317	L	22.5	Very low	25.8	Very low	63 Å²	63	105.2 Å²	105.2	33%	0.33	53%	0.529	S	S	.	.			cis	35.8	129	-15.8	-24.8	-178.8	0	0	0	120.3	K2315 H2319	K2315-L2317 HydrophobicContact CB-CB 3.69Å; K2315-L2317 HydrophobicContact CB-CG 4.06Å; K2315-L2317 VanDerWaalsContact CB-O 3.29Å; K2315-L2317 WeakPolarHBondContact CB-O 3.15Å; K2315-L2317 HydrophobicContact CD-CB 3.77Å; K2315-L2317 WeakPolarHBondContact CD-O 3.34Å; K2315-L2317 HydrophobicContact CG-CB 3.76Å; K2315-L2317 HydrophobicContact CG-CD1 4.1Å; K2315-L2317 HydrophobicContact CG-CG 4.07Å; L2317-H2319 VanDerWaalsContact CD2-O 3.25Å; L2317-H2319 WeakPolarHBondContact CD2-O 3.18Å
2318	T	24.6	Very low	25.6	Very low	63 Å²	63	108 Å²	108	39%	0.387	53%	0.53	S	S	.	.			cis	-68.1	145.9	12.6	66.9	0	0	0	0	112.1	H2316	H2316-T2318 PolarHBondContact CE1-N 3.05Å; H2316-T2318 PolarHBondContact CE1-O 3.01Å; H2316-T2318 PolarHBondContact ND1-O 2.96Å; H2316-T2318 VanDerWaalsContact ND1-O 3.15Å; H2316-T2318 PolarHBondContact NE2-N 2.72Å
2319	H	33.2	Very low	25.8	Very low	135 Å²	135	107.6 Å²	107.6	63%	0.625	53%	0.531	S	S	*	.	S	Bend	cis	-110.8	135.2	10.6	-77.1	-97.5	0	0	0	110.7	L2317	L2317-H2319 VanDerWaalsContact CD2-O 3.25Å; L2317-H2319 WeakPolarHBondContact CD2-O 3.18Å
2320	D	27.8	Very low	25.7	Very low	20 Å²	20	105.7 Å²	105.7	11%	0.107	53%	0.53	C	S	.	.			cis	-141.1	132.5	26.6	-76.9	-71.8	0	0	0	114.5	Q411 Q412 S2322	Q411-D2320 HydrophobicContact CG-CB 3.93Å; Q411-D2320 WeakPolarHBondContact CG-OD2 3.41Å; Q411-D2320 VanDerWaalsContact NE2-CG 3.29Å; Q411-D2320 PolarHBondContact NE2-OD1 3.17Å; Q412-D2320 HydrophobicContact CG-CB 4.46Å; D2320-S2322 PolarHBondContact OD1-N 3.45Å
2321	S	26.1	Very low	25.6	Very low	48 Å²	48	107.8 Å²	107.8	34%	0.336	54%	0.541	S	S	.	.	S	Bend		-116.9	97.1	104	63	0	0	0	0	106.9	H458 K2315	H458-S2321 PolarHBondContact CD2-N 3.31Å; H458-S2321 PolarHBondContact CD2-OG 2.78Å; K2315-S2321 PolarHBondContact NZ-OG 2.71Å
2322	S	26.8	Very low	26	Very low	60 Å²	60	103.4 Å²	103.4	42%	0.42	53%	0.532	S	S	.	.				49.4	108.2	120.6	67.3	0	0	0	0	116.1	D2320	D2320-S2322 PolarHBondContact OD1-N 3.45Å
2323	M	27.7	Very low	26	Very low	112 Å²	112	108.5 Å²	108.5	55%	0.552	55%	0.553	S	S	*	*				94	136.7	101.8	-76	-162.9	159.1	0	0	111.1
2324	N	28.5	Very low	26.5	Very low	95 Å²	95	107.9 Å²	107.9	51%	0.508	56%	0.555	S	S	.	*			cis	-156	165.2	8.8	-118	-14.8	0	0	0	113.9
2325	I	27.1	Very low	26.4	Very low	61 Å²	61	114 Å²	114	31%	0.313	58%	0.581	S	S	.	*			trans	1.1	131.7	143.9	-15.1	120.2	0	0	0	113.2	Q408	Q408-I2325 HydrophobicContact CG-CD1 4.34Å; Q408-I2325 HydrophobicContact CG-CG1 4.27Å
2326	R	25.1	Very low	26.2	Very low	210 Å²	210	115.4 Å²	115.4	79%	0.792	60%	0.598	S	S	*	*			cis	-150.3	165.1	49.8	-62.8	145.4	-158.3	-129.7	-1.6	108.7
2327	Q	28.4	Very low	26.2	Very low	164 Å²	164	115.6 Å²	115.6	77%	0.766	60%	0.603	S	S	*	*			cis	-163.9	160.1	49.9	-82.5	-179.7	-39.2	0	0	113.2
2328	F	23	Very low	26.2	Very low	177 Å²	177	117 Å²	117	78%	0.776	62%	0.618	S	S	*	*			trans	24.3	160.2	144.3	-62.4	-70.7	0	0	0	124.8
2329	S	26.9	Very low	26.1	Very low	99 Å²	99	122 Å²	122	69%	0.692	64%	0.636	S	S	*	*			trans	72.4	129.5	162.6	17	0	0	0	0	116.4
2330	N	22.8	Very low	25.5	Very low	144 Å²	144	123 Å²	123	77%	0.77	65%	0.646	S	S	*	*			cis	89.8	144.8	38.5	-67.4	-10.7	0	0	0	113.3
2331	L	25.1	Very low	25.3	Very low	164 Å²	164	127.3 Å²	127.3	86%	0.859	67%	0.673	S	S	*	*			trans	67.1	151.3	176.3	-51.3	117.2	0	0	0	113.4
2332	S	30.4	Very low	25.1	Very low	103 Å²	103	132.2 Å²	132.2	72%	0.72	70%	0.695	S	S	*	*			cis	-167.5	137.3	-11.5	32.4	0	0	0	0	104.7
2333	K	23.3	Very low	24.8	Very low	194 Å²	194	135.1 Å²	135.1	84%	0.843	71%	0.705	S	S	*	*			cis	53.4	126.1	26	-99.5	-156.7	177.8	-171.9	0	114.8
2334	P	33.7	Very low	24.6	Very low	95 Å²	95	137.5 Å²	137.5	62%	0.617	72%	0.715	S	S	*	*			cis	-142	-162.5	-8.7	43.5	-23.2	0	0	0	114.4
2335	Q	23.2	Very low	24.3	Very low	175 Å²	175	140.1 Å²	140.1	82%	0.818	73%	0.729	S	S	*	*			trans	19.1	150.2	134.3	-62	157.2	-59.2	0	0	118.9
2336	S	22.6	Very low	24.2	Very low	90 Å²	90	145.7 Å²	145.7	63%	0.629	75%	0.753	S	S	*	*				-176.7	157.6	52.3	64.6	0	0	0	0	115.3
2337	I	22	Very low	24.3	Very low	156 Å²	156	145 Å²	145	80%	0.8	76%	0.757	S	S	*	*			trans	67.4	143.6	141.9	-68.2	163.4	0	0	0	115.6
2338	S	22.6	Very low	24	Very low	92 Å²	92	142.3 Å²	142.3	64%	0.643	75%	0.754	S	S	*	*			cis	-149.9	165.1	7.6	26.4	0	0	0	0	112.7
2339	H	21.7	Very low	24.1	Very low	168 Å²	168	139.3 Å²	139.3	78%	0.778	75%	0.753	S	S	*	*			trans	-14	139.2	151.9	-32.4	-76.8	0	0	0	118.6
2340	L	21	Very low	24.1	Very low	156 Å²	156	140.7 Å²	140.7	82%	0.817	76%	0.757	S	S	*	*				172.5	157.7	109.1	-90.3	168.1	0	0	0	113.6
2341	T	22.3	Very low	24.3	Very low	110 Å²	110	138.8 Å²	138.8	68%	0.675	75%	0.752	S	S	*	*			trans	46.7	132.5	149	52.5	0	0	0	0	124.3
2342	L	22.2	Very low	24.2	Very low	152 Å²	152	137.9 Å²	137.9	80%	0.796	75%	0.748	S	S	*	*			trans	67.1	133.6	131.9	-65.2	168.9	0	0	0	122.1
2343	N	20.8	Very low	23.9	Very low	121 Å²	121	138.4 Å²	138.4	65%	0.647	74%	0.742	S	S	*	*			trans	22.4	140.4	134.3	-71.5	35.8	0	0	0	123.1
2344	E	23.4	Very low	23.9	Very low	161 Å²	161	136.8 Å²	136.8	75%	0.752	74%	0.738	S	S	*	*			trans	67.8	96.5	135.9	-66.9	165.5	127.3	0	0	118.7
2345	D	23	Very low	23.4	Very low	150 Å²	150	136.3 Å²	136.3	80%	0.802	74%	0.737	S	S	*	*				29.6	110.1	126.9	-64.2	-11.7	0	0	0	118.5
2346	H	25.5	Very low	23.5	Very low	178 Å²	178	131.3 Å²	131.3	82%	0.824	72%	0.716	S	S	*	*				-161.7	106	129.8	-91.4	-1	0	0	0	110.3
2347	F	25.3	Very low	23.6	Very low	197 Å²	197	129.2 Å²	129.2	86%	0.864	70%	0.697	S	S	*	*				-178.1	99.3	115.5	-107.1	-78	0	0	0	112.1
2348	C	22.2	Very low	23.7	Very low	106 Å²	106	127.4 Å²	127.4	72%	0.716	69%	0.689	S	S	*	*			trans	0.5	156.5	137.5	-64.6	0	0	0	0	120.4
2349	P	26.9	Very low	23.7	Very low	115 Å²	115	129.9 Å²	129.9	75%	0.747	70%	0.695	S	S	*	*			cis	-145.9	-171.3	-14.8	30.5	-5.7	0	0	0	116.5
2350	V	26.6	Very low	24	Very low	128 Å²	128	128.2 Å²	128.2	78%	0.776	69%	0.692	S	S	*	*			trans	94.4	119.3	156.6	-165.2	0	0	0	0	117.6
2351	P	26.7	Very low	24.1	Very low	103 Å²	103	126.8 Å²	126.8	67%	0.669	69%	0.69	S	S	*	*			trans	-115.2	-161.1	176.5	39.4	-25.9	0	0	0	113.8
2352	L	22.1	Very low	24.1	Very low	146 Å²	146	129.5 Å²	129.5	76%	0.764	70%	0.699	S	S	*	*			trans	74.6	139	179.6	-81	73.8	0	0	0	115.3
2353	N	24.1	Very low	24.2	Very low	114 Å²	114	126.1 Å²	126.1	61%	0.61	69%	0.688	S	S	*	*			cis	-157	170.8	-7.4	-133.2	-12	0	0	0	114.4
2354	Q	24.5	Very low	24.5	Very low	160 Å²	160	126 Å²	126	75%	0.748	68%	0.679	S	S	*	*			trans	-9.1	164.1	146.6	-66.1	166.9	55.7	0	0	120.1
2355	S	23.3	Very low	24.4	Very low	85 Å²	85	129 Å²	129	59%	0.594	68%	0.683	S	S	*	*			cis	-178	-163.5	-14	63.3	0	0	0	0	108.2
2356	N	24.2	Very low	24.5	Very low	70 Å²	70	130.6 Å²	130.6	37%	0.374	68%	0.678	S	S	.	*			cis	-154.8	134.6	-9.3	-166.6	4.8	0	0	0	111.7	R2549 G2551	N2356-R2549 WeakPolarHBondContact O-CD 2.88Å; N2356-R2549 WeakPolarHBondContact O-CG 3.46Å; N2356-R2549 PolarHBondContact O-NE 3.07Å; N2356-R2549 PolarHBondContact O-NH1 3.17Å; N2356-G2551 VanDerWaalsContact OD1-CA 3.3Å; N2356-G2551 WeakPolarHBondContact OD1-CA 3.47Å; N2356-G2551 PolarHBondContact OD1-N 3.28Å
2357	N	24	Very low	24.4	Very low	45 Å²	45	125.9 Å²	125.9	24%	0.241	66%	0.664	C	S	.	*			trans	58.8	101.4	160	-86	-15.5	0	0	0	125	R2549 G2551	N2357-R2549 VanDerWaalsContact C-CB 3.49Å; N2357-R2549 CarbonylContact C-O 3.58Å; N2357-R2549 PolarHBondContact N-O 2.6Å; N2357-R2549 WeakPolarHBondContact O-CD 3.3Å; N2357-R2549 PolarHBondContact O-NH1 3.22Å; N2357-G2551 WeakPolarHBondContact OD1-CA 3.29Å
2358	N	24.8	Very low	24.2	Very low	118 Å²	118	125.6 Å²	125.6	63%	0.631	66%	0.657	S	S	*	*				149.5	136.2	101.4	-79.7	-16.2	0	0	0	118	R2549	N2358-R2549 PolarHBondContact N-O 2.97Å
2359	N	22.9	Very low	24.2	Very low	145 Å²	145	126.2 Å²	126.2	78%	0.775	65%	0.652	S	S	*	*			trans	-116.8	174.8	150	-113.7	-60.6	0	0	0	107.4
2360	N	27.3	Very low	24	Very low	132 Å²	132	125.3 Å²	125.3	71%	0.706	65%	0.654	S	S	*	*			trans	79.9	154.8	178.9	-48.7	-58.6	0	0	0	114
2361	T	24.5	Very low	23.8	Very low	126 Å²	126	127.9 Å²	127.9	77%	0.773	66%	0.657	S	S	*	*	S	Bend	cis	-100.7	161.4	13.6	65	0	0	0	0	112.3
2362	L	22.3	Very low	23.6	Very low	167 Å²	167	128.2 Å²	128.2	87%	0.874	66%	0.662	S	S	*	*	S	Bend	cis	-122.3	109.8	39.8	-83.6	160.9	0	0	0	115.4
2363	S	24.8	Very low	23.7	Very low	81 Å²	81	128 Å²	128	57%	0.566	66%	0.662	S	S	*	*			trans	-180	145.4	161.9	-89.1	0	0	0	0	106.5
2364	R	26.5	Very low	23.7	Very low	120 Å²	120	130 Å²	130	45%	0.453	67%	0.672	S	S	.	*			cis	-170.3	126.5	3.8	150.9	-169.9	-66.9	-162.5	-6	107.3	K306 R2366	K306-R2364 PolarHBondContact O-NH2 3.25Å; R2364-R2366 HydrophobicContact CG-CB 4.34Å; R2364-R2366 HydrophobicContact CG-CG 4.09Å; R2364-R2366 PolarHBondContact O-N 3.23Å
2365	W	20.8	Very low	23.6	Very low	223 Å²	223	129.9 Å²	129.9	85%	0.845	68%	0.675	S	S	*	*			trans	-67.8	125.3	156.5	-85.3	81.6	0	0	0	108.3
2366	R	24.8	Very low	23.8	Very low	184 Å²	184	130.1 Å²	130.1	69%	0.694	67%	0.674	S	S	*	*			trans	-127.5	145.2	164.8	-112.8	-174	178.3	-140.8	-3	106.5	R2364	R2364-R2366 HydrophobicContact CG-CB 4.34Å; R2364-R2366 HydrophobicContact CG-CG 4.09Å; R2364-R2366 PolarHBondContact O-N 3.23Å
2367	P	22.8	Very low	23.8	Very low	79 Å²	79	134.9 Å²	134.9	51%	0.513	69%	0.693	S	S	.	*	P	Polyproline II helix	trans	-64.6	146.5	-179.6	28.7	-34.7	0	0	0	110.1	I2369	P2367-I2369 PolarHBondContact O-N 3.11Å
2368	W	23.1	Very low	23.9	Very low	190 Å²	190	138.6 Å²	138.6	72%	0.72	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-62.1	128.5	167.9	-78.8	55.1	0	0	0	109.2	N2434	W2368-N2434 WeakPolarHBondContact CH2-ND2 3.16Å; W2368-N2434 VanDerWaalsContact CZ3-ND2 3.26Å; W2368-N2434 WeakPolarHBondContact CZ3-ND2 3.36Å
2369	I	21.6	Very low	24	Very low	120 Å²	120	138.6 Å²	138.6	62%	0.615	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-83.6	123.7	149.3	-67.1	173.3	0	0	0	104.8	N212 P2367 Q2371	N212-I2369 WeakPolarHBondContact ND2-CG1 3.31Å; P2367-I2369 PolarHBondContact O-N 3.11Å; I2369-Q2371 HydrophobicContact CG2-CG 4.21Å; I2369-Q2371 PolarHBondContact O-N 3.19Å
2370	A	22.4	Very low	24.2	Very low	96 Å²	96	137.7 Å²	137.7	79%	0.793	73%	0.732	S	S	*	*			trans	-73.7	109.8	166.8	0	0	0	0	0	108.1
2371	Q	22.4	Very low	24.4	Very low	181 Å²	181	136.8 Å²	136.8	85%	0.846	73%	0.732	S	S	*	*			trans	-105.1	111.3	157	-77.3	-169.7	-60.7	0	0	107.8	I2369	I2369-Q2371 HydrophobicContact CG2-CG 4.21Å; I2369-Q2371 PolarHBondContact O-N 3.19Å
2372	S	21.7	Very low	24.4	Very low	110 Å²	110	136.3 Å²	136.3	77%	0.769	73%	0.732	S	S	*	*			trans	-70.3	125.8	165.7	48.6	0	0	0	0	109.9
2373	N	25.1	Very low	25.3	Very low	142 Å²	142	133.5 Å²	133.5	76%	0.759	72%	0.724	S	S	*	*			trans	-152.3	109.8	152.3	-86.6	-29.5	0	0	0	104.9
2374	L	23.6	Very low	25.4	Very low	155 Å²	155	136.9 Å²	136.9	81%	0.812	74%	0.735	S	S	*	*				54	85.8	83.7	-76	161.5	0	0	0	112.9
2375	L	24	Very low	25.7	Very low	158 Å²	158	136 Å²	136	83%	0.827	74%	0.744	S	S	*	*				-61.2	139.6	126.3	-101.9	74.4	0	0	0	107.2
2376	T	26.3	Very low	26	Very low	91 Å²	91	131.8 Å²	131.8	56%	0.558	74%	0.743	S	S	*	*			cis	-136.5	177.6	-4.5	42.7	0	0	0	0	109
2377	H	25.3	Very low	26.3	Very low	169 Å²	169	128.1 Å²	128.1	78%	0.782	74%	0.743	S	S	*	*				174.1	115.2	114.4	-86.9	-61.1	0	0	0	110.6	T2379	H2377-T2379 PolarHBondContact O-N 3.03Å
2378	S	24.4	Very low	26.3	Very low	123 Å²	123	128.9 Å²	128.9	86%	0.86	75%	0.75	S	S	*	*	S	Bend	trans	-76.6	82.4	152.9	-62.8	0	0	0	0	108.1
2379	T	27.2	Very low	26.2	Very low	119 Å²	119	124.5 Å²	124.5	73%	0.73	75%	0.749	S	S	*	*			trans	37.2	107.1	151.3	55.8	0	0	0	0	118.8	H2377	H2377-T2379 PolarHBondContact O-N 3.03Å
2380	S	27.2	Very low	26.3	Very low	126 Å²	126	126.6 Å²	126.6	88%	0.881	76%	0.76	S	S	*	*				-117.7	164	124.2	-168.1	0	0	0	0	108.1
2381	T	31.2	Very low	26.3	Very low	113 Å²	113	126.9 Å²	126.9	69%	0.693	76%	0.756	S	S	*	*			trans	-128.9	148.3	-140	-43.2	0	0	0	0	114.3
2382	C	25.9	Very low	26.4	Very low	116 Å²	116	122.9 Å²	122.9	78%	0.784	75%	0.749	S	S	*	*			trans	138.6	147.7	144.4	-74.6	0	0	0	0	115
2383	P	39.6	Very low	26.5	Very low	107 Å²	107	123.4 Å²	123.4	70%	0.695	75%	0.747	S	S	*	*			trans	-142.8	-161.7	-139	32.2	-6.3	0	0	0	117.1
2384	L	27.5	Very low	26.6	Very low	153 Å²	153	122.4 Å²	122.4	80%	0.801	75%	0.746	S	S	*	*			trans	104.9	164.4	157.7	-50.1	-179.7	0	0	0	116.6
2385	P	33.4	Very low	26.6	Very low	100 Å²	100	122.1 Å²	122.1	65%	0.649	75%	0.746	S	S	*	*				-147.4	174.7	-95.9	37.8	-13.9	0	0	0	119.6
2386	V	26.8	Very low	26.4	Very low	136 Å²	136	121.6 Å²	121.6	82%	0.824	74%	0.743	S	S	*	*			trans	57.9	175.9	158.5	-74	0	0	0	0	119.4
2387	P	30.9	Very low	26.2	Very low	106 Å²	106	125.5 Å²	125.5	69%	0.688	76%	0.755	S	S	*	*				-133.5	179.4	-53.9	36.9	-19.9	0	0	0	116.2
2388	S	22.4	Very low	26	Very low	96 Å²	96	124.7 Å²	124.7	67%	0.671	75%	0.753	S	S	*	*			trans	58	105.9	142.4	62.8	0	0	0	0	124.2
2389	S	22.6	Very low	25.9	Very low	98 Å²	98	124.8 Å²	124.8	69%	0.685	74%	0.738	S	S	*	*				44.6	136.1	121.6	66.6	0	0	0	0	124.5
2390	L	23.3	Very low	25.6	Very low	164 Å²	164	123.7 Å²	123.7	86%	0.859	74%	0.736	S	S	*	*			trans	72.3	146.3	165.2	-55.2	135.5	0	0	0	113.7
2391	S	22.5	Very low	25.4	Very low	101 Å²	101	121.3 Å²	121.3	71%	0.706	72%	0.719	S	S	*	*			cis	-151.4	161.9	24.7	-50.6	0	0	0	0	114.5
2392	S	23	Very low	24.9	Very low	98 Å²	98	121.8 Å²	121.8	69%	0.685	73%	0.727	S	S	*	*			trans	42.9	106	140.6	62.4	0	0	0	0	123.1
2393	T	23.6	Very low	25.2	Very low	120 Å²	120	119.9 Å²	119.9	74%	0.736	71%	0.713	S	S	*	*				60	112.4	124.6	58.4	0	0	0	0	123.2
2394	T	27.3	Very low	24.6	Very low	121 Å²	121	121 Å²	121	74%	0.742	72%	0.717	S	S	*	*				77.9	130.9	127.9	57.2	0	0	0	0	123.3
2395	N	23.6	Very low	24.5	Very low	150 Å²	150	122.6 Å²	122.6	80%	0.802	72%	0.721	S	S	*	*			trans	98.2	124.5	148	-76.2	-5.3	0	0	0	121.5
2396	L	21.3	Very low	24.1	Very low	146 Å²	146	122.2 Å²	122.2	76%	0.764	73%	0.726	S	S	*	*			trans	70.1	126.9	159.4	-58.7	174.2	0	0	0	119.8
2397	Q	21.4	Very low	24.1	Very low	174 Å²	174	123.1 Å²	123.1	81%	0.813	73%	0.726	S	S	*	*			trans	54.7	135.6	150.2	-62.3	175.9	-66.6	0	0	117.8
2398	M	21.7	Very low	24.3	Very low	151 Å²	151	124 Å²	124	74%	0.744	73%	0.729	S	S	*	*			cis	-146.6	157.7	25.9	-77.7	-174.6	66.9	0	0	112.5
2399	F	20.9	Very low	25.3	Very low	125 Å²	125	124.4 Å²	124.4	55%	0.548	73%	0.728	S	S	.	*			trans	37.6	152.9	140.2	-74	-100.1	0	0	0	124.3	Y1830	Y1830-F2399 HydrophobicContact CD1-CE1 4.12Å; Y1830-F2399 HydrophobicContact CD2-CE1 4.06Å; Y1830-F2399 AromaticContact CE1-CE1 3.72Å; Y1830-F2399 HydrophobicContact CE1-CE1 3.72Å; Y1830-F2399 HydrophobicContact CE1-CZ 4.11Å; Y1830-F2399 HydrophobicContact CE2-CD1 4.13Å; Y1830-F2399 AromaticContact CE2-CE1 3.7Å; Y1830-F2399 HydrophobicContact CE2-CE1 3.7Å; Y1830-F2399 HydrophobicContact CG-CE1 4.28Å; Y1830-F2399 AromaticContact CZ-CE1 3.52Å
2400	S	21.3	Very low	27.1	Very low	97 Å²	97	125.1 Å²	125.1	68%	0.678	72%	0.724	S	S	*	*			trans	70.5	91.8	150.8	52.1	0	0	0	0	119.8
2401	S	23	Very low	29.1	Very low	76 Å²	76	120.4 Å²	120.4	53%	0.531	70%	0.704	S	S	.	*				49.4	111.5	120.8	64.8	0	0	0	0	120.7
2402	S	22.3	Very low	31.9	Very low	123 Å²	123	116.2 Å²	116.2	86%	0.86	67%	0.673	S	S	*	*				-149.7	146.3	125.2	-84.3	0	0	0	0	111.1
2403	P	32.2	Very low	34.7	Very low	76 Å²	76	114.3 Å²	114.3	49%	0.494	65%	0.654	S	S	.	*			trans	-108.5	167.8	-160.5	39.3	-32.3	0	0	0	114.7
2404	V	25	Very low	37.7	Very low	129 Å²	129	108.6 Å²	108.6	78%	0.782	62%	0.619	S	S	*	*				170.7	137	122.5	152.6	0	0	0	0	110.5
2405	H	25.8	Very low	40.5	Very low	188 Å²	188	103 Å²	103	87%	0.87	58%	0.584	S	S	*	*			trans	-78.6	141.8	169.2	-72.5	8.5	0	0	0	111.9
2406	A	24.8	Very low	43.4	Very low	91 Å²	91	95.9 Å²	95.9	75%	0.752	55%	0.546	S	S	*	.			trans	171.7	94.6	134.7	0	0	0	0	0	110.5
2407	N	28	Very low	46.3	Very low	156 Å²	156	89.4 Å²	89.4	83%	0.834	51%	0.512	S	S	*	.			trans	-147.1	37.4	170.7	-128.1	-17.9	0	0	0	113.1	V2409	N2407-V2409 PolarHBondContact O-N 2.79Å; N2407-V2409 VanDerWaalsContact O-N 3.16Å
2408	T	34.5	Very low	49	Very low	123 Å²	123	82.6 Å²	82.6	76%	0.755	48%	0.481	S	S	*	.			trans	-63.2	109.8	161.7	46.5	0	0	0	0	108.4	N2410	T2408-N2410 PolarHBondContact O-N 3.32Å; T2408-N2410 VanDerWaalsContact O-N 3.14Å
2409	V	42.5	Very low	51.2	Low	105 Å²	105	78.1 Å²	78.1	64%	0.636	46%	0.458	S	S	*	.			trans	-64.6	116.4	176.9	-178.4	0	0	0	0	108.3	N2407 C2411 P2430	N2407-V2409 PolarHBondContact O-N 2.79Å; N2407-V2409 VanDerWaalsContact O-N 3.16Å; V2409-C2411 PolarHBondContact O-N 2.92Å; V2409-P2430 HydrophobicContact CG1-CB 4.43Å
2410	N	60.6	Low	53.2	Low	114 Å²	114	80.7 Å²	80.7	61%	0.61	47%	0.472	S	S	*	.			trans	-62.3	95.3	179.9	-73.7	-4.7	0	0	0	110.3	T2408 I2431	T2408-N2410 PolarHBondContact O-N 3.32Å; T2408-N2410 VanDerWaalsContact O-N 3.14Å; N2410-I2431 HydrophobicContact CB-CB 4.37Å; N2410-I2431 HydrophobicContact CB-CD1 4.28Å; N2410-I2431 WeakPolarHBondContact O-CB 3.34Å; N2410-I2431 WeakPolarHBondContact O-CG1 3.15Å; N2410-I2431 PolarHBondContact O-N 3.06Å
2411	C	66.9	Low	55.4	Low	65 Å²	65	79.5 Å²	79.5	44%	0.439	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	129.3	178.1	-74.3	0	0	0	0	110.6	V2409 N2428 Y2429	V2409-C2411 PolarHBondContact O-N 2.92Å; C2411-N2428 HydrophobicContact CB-CB 4.47Å; C2411-Y2429 CarbonylContact C-O 3.6Å; C2411-Y2429 VanDerWaalsContact CA-O 3.31Å; C2411-Y2429 WeakPolarHBondContact CA-O 3.07Å
2412	L	81.1	Confident	57.6	Low	12 Å²	12	78.5 Å²	78.5	6%	0.063	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	127.6	171.7	-165.8	77.3	0	0	0	109.5	V2414 N2428 Y2429 I2431 L2440 I2475 T2479 L2600	L2412-V2414 HydrophobicContact CD2-CG2 3.78Å; L2412-V2414 HydrophobicContact CG-CG2 4.21Å; L2412-N2428 CarbonylContact O-C 3.53Å; L2412-N2428 WeakPolarHBondContact O-CA 3.49Å; L2412-Y2429 PolarHBondContact N-O 2.83Å; L2412-Y2429 PolarHBondContact O-N 3.24Å; L2412-I2431 HydrophobicContact CB-CD1 3.89Å; L2412-I2431 HydrophobicContact CB-CG1 3.73Å; L2412-I2431 HydrophobicContact CD1-CD1 4.25Å; L2412-L2440 HydrophobicContact CD2-CD2 3.49Å; L2412-L2440 VanDerWaalsContact CD2-CD2 3.49Å; L2412-I2475 HydrophobicContact CD1-CG2 4.3Å; L2412-I2475 HydrophobicContact CD2-CG2 3.82Å; L2412-T2479 HydrophobicContact CD1-CG2 3.41Å; L2412-T2479 VanDerWaalsContact CD1-CG2 3.41Å; L2412-L2600 HydrophobicContact CD1-CD1 3.9Å; L2412-L2600 HydrophobicContact CD2-CD1 4.04Å; L2412-L2600 HydrophobicContact CD2-CD2 3.87Å; L2412-L2600 HydrophobicContact CG-CD1 4.11Å
2413	Q	80.8	Confident	60.3	Low	58 Å²	58	77.2 Å²	77.2	27%	0.271	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	128.5	167.9	-174.2	165.2	44.4	0	0	110	S2426 N2428	Q2413-S2426 WeakPolarHBondContact CG-OG 3.4Å; Q2413-S2426 PolarHBondContact NE2-OG 2.87Å; Q2413-N2428 WeakPolarHBondContact CA-OD1 3.43Å; Q2413-N2428 WeakPolarHBondContact CB-OD1 3.39Å
2414	V	86.2	Confident	62.7	Low	0 Å²	0	74 Å²	74	0%	0	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	129.8	175	-176.4	0	0	0	0	108.6	L2412 V2416 L2427 Y2429 L2440 I2444 L2458 L2600	L2412-V2414 HydrophobicContact CD2-CG2 3.78Å; L2412-V2414 HydrophobicContact CG-CG2 4.21Å; V2414-V2416 HydrophobicContact CG1-CG2 4.13Å; V2414-L2427 PolarHBondContact N-O 2.71Å; V2414-L2427 PolarHBondContact O-N 2.76Å; V2414-Y2429 HydrophobicContact CB-CD2 4.26Å; V2414-Y2429 HydrophobicContact CB-CE2 4.32Å; V2414-Y2429 HydrophobicContact CG2-CD2 4.04Å; V2414-L2440 HydrophobicContact CG2-CD2 4.34Å; V2414-I2444 HydrophobicContact CG1-CD1 4.06Å; V2414-I2444 HydrophobicContact CG2-CD1 4.48Å; V2414-L2458 HydrophobicContact CG1-CD1 4.01Å; V2414-L2600 HydrophobicContact CB-CB 4.5Å; V2414-L2600 HydrophobicContact CG1-CB 4.25Å; V2414-L2600 HydrophobicContact CG2-CB 4.19Å
2415	L	86.1	Confident	65.4	Low	4 Å²	4	72.2 Å²	72.2	2%	0.021	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	126.4	166.9	-60.9	-174.6	0	0	0	108.9	L2424 V2599 L2600 V2601 Y2602 L2615	L2415-L2424 HydrophobicContact CB-CB 4.31Å; L2415-L2424 HydrophobicContact CB-CD2 4.06Å; L2415-L2424 HydrophobicContact CD1-CB 4.5Å; L2415-L2424 HydrophobicContact CD1-CD1 4.29Å; L2415-V2599 HydrophobicContact CD1-CG1 3.55Å; L2415-V2599 HydrophobicContact CG-CG1 3.98Å; L2415-L2600 PolarHBondContact N-O 3.13Å; L2415-V2601 HydrophobicContact CB-CG2 4.37Å; L2415-V2601 CarbonylContact O-C 3.47Å; L2415-V2601 VanDerWaalsContact O-CA 3.26Å; L2415-V2601 WeakPolarHBondContact O-CA 3.33Å; L2415-Y2602 PolarHBondContact O-N 3.49Å; L2415-L2615 HydrophobicContact CD1-CD1 3.97Å; L2415-L2615 HydrophobicContact CD1-CD2 4.06Å; L2415-L2615 HydrophobicContact CD1-CG 4.41Å
2416	V	86.1	Confident	68.1	Low	0 Å²	0	65 Å²	65	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	121.2	-176	-176.2	0	0	0	0	108.5	V2414 N2418 Q2425 L2427 I2444 M2448 Y2602	V2414-V2416 HydrophobicContact CG1-CG2 4.13Å; V2416-N2418 PolarHBondContact O-N 3.02Å; V2416-Q2425 PolarHBondContact N-O 2.71Å; V2416-Q2425 PolarHBondContact O-N 3.44Å; V2416-L2427 HydrophobicContact CB-CD1 4.44Å; V2416-L2427 HydrophobicContact CG2-CB 4.4Å; V2416-L2427 HydrophobicContact CG2-CD1 3.98Å; V2416-L2427 HydrophobicContact CG2-CG 4.37Å; V2416-I2444 HydrophobicContact CG1-CG2 4Å; V2416-I2444 HydrophobicContact CG2-CG2 3.98Å; V2416-M2448 HydrophobicContact CG1-CE 3.81Å; V2416-M2448 HydrophobicContact CG1-CG 3.74Å; V2416-M2448 HydrophobicContact CG1-SD 3.84Å; V2416-Y2602 HydrophobicContact CG1-CD1 3.81Å; V2416-Y2602 HydrophobicContact CG1-CG 4.42Å
2417	M	82.4	Confident	70.7	Confident	11 Å²	11	62 Å²	62	5%	0.054	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	115.4	177.8	-79.1	176.8	40.8	0	0	110.7	Y1976 L2424 V2601 Y2602 K2603 F2609 L2611	Y1976-M2417 HydrophobicContact CD1-CB 4.49Å; Y1976-M2417 HydrophobicContact CD1-CE 4.42Å; Y1976-M2417 HydrophobicContact CD1-CG 3.95Å; Y1976-M2417 HydrophobicContact CD2-CE 3.53Å; Y1976-M2417 HydrophobicContact CD2-SD 4.37Å; Y1976-M2417 HydrophobicContact CE1-CB 3.89Å; Y1976-M2417 HydrophobicContact CE1-CE 4.26Å; Y1976-M2417 HydrophobicContact CE1-CG 3.86Å; Y1976-M2417 HydrophobicContact CE2-CE 3.36Å; Y1976-M2417 HydrophobicContact CG-CE 4.08Å; Y1976-M2417 HydrophobicContact CG-CG 4.37Å; Y1976-M2417 HydrophobicContact CG-SD 4.36Å; M2417-L2424 HydrophobicContact CB-CD2 4.47Å; M2417-L2424 HydrophobicContact CG-CD2 3.38Å; M2417-L2424 HydrophobicContact CG-CG 4.38Å; M2417-L2424 HydrophobicContact SD-CD2 4.43Å; M2417-V2601 HydrophobicContact CG-CG1 4.33Å; M2417-V2601 HydrophobicContact SD-CG1 4.24Å; M2417-Y2602 PolarHBondContact N-O 2.94Å; M2417-K2603 HydrophobicContact CB-CB 4.38Å; M2417-K2603 HydrophobicContact CE-CB 3.96Å; M2417-K2603 HydrophobicContact CG-CB 4.17Å; M2417-K2603 HydrophobicContact SD-CB 3.34Å; M2417-K2603 WeakPolarHBondContact SD-CB 2.25Å; M2417-K2603 HydrophobicContact SD-CD 4.03Å; M2417-K2603 HydrophobicContact SD-CG 4.28Å; M2417-F2609 HydrophobicContact CE-CB 4.2Å; M2417-F2609 HydrophobicContact CE-CD1 3.33Å; M2417-F2609 HydrophobicContact CE-CD2 4.29Å; M2417-F2609 HydrophobicContact CE-CE1 3.59Å; M2417-F2609 HydrophobicContact CE-CG 3.7Å; M2417-F2609 HydrophobicContact CE-CZ 4.19Å; M2417-L2611 HydrophobicContact SD-CD2 4.13Å
2418	N	77.1	Confident	73.3	Confident	31 Å²	31	58.2 Å²	58.2	17%	0.166	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	114	171.9	-177.2	-20	0	0	0	109.2	Y1976 V2416 E2420 T2421 N2422 Q2423	Y1976-N2418 PolarHBondContact OH-O 3.34Å; V2416-N2418 PolarHBondContact O-N 3.02Å; N2418-E2420 VanDerWaalsContact C-N 3.29Å; N2418-E2420 PolarHBondContact O-N 3.2Å; N2418-E2420 WeakPolarHBondContact OD1-CB 3.31Å; N2418-E2420 PolarHBondContact OD1-N 3.21Å; N2418-T2421 WeakPolarHBondContact CB-OG1 3.29Å; N2418-N2422 PolarHBondContact O-N 2.98Å; N2418-N2422 VanDerWaalsContact O-N 3.12Å; N2418-Q2423 PolarHBondContact N-O 2.76Å
2419	E	68.2	Low	75.4	Confident	56 Å²	56	52.8 Å²	52.8	26%	0.262	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-12.6	-178.6	-66.2	-170	-155.3	0	0	113.6	Y1976 Q2163 R2604	Y1976-E2419 VanDerWaalsContact OH-CA 3.22Å; Y1976-E2419 WeakPolarHBondContact OH-CA 3.27Å; Y1976-E2419 PolarHBondContact OH-N 2.87Å; Q2163-E2419 PolarHBondContact NE2-OE2 3.03Å; E2419-R2604 IonicContact OE1-CZ 2.81Å; E2419-R2604 IonicContact OE1-NH1 2.76Å; E2419-R2604 PolarHBondContact OE1-NH1 2.98Å; E2419-R2604 IonicContact OE2-NH1 3.19Å; E2419-R2604 PolarHBondContact OE2-NH1 3.27Å
2420	E	62.5	Low	76.9	Confident	179 Å²	179	51.3 Å²	51.3	84%	0.836	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-32	175.3	-58.2	-175.4	162.4	0	0	112.5	N2418	N2418-E2420 VanDerWaalsContact C-N 3.29Å; N2418-E2420 PolarHBondContact O-N 3.2Å; N2418-E2420 WeakPolarHBondContact OD1-CB 3.31Å; N2418-E2420 PolarHBondContact OD1-N 3.21Å
2421	T	66.7	Low	77.3	Confident	72 Å²	72	47.4 Å²	47.4	44%	0.442	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-10.6	-176	60.8	0	0	0	0	114.5	N2418 Q2423	N2418-T2421 WeakPolarHBondContact CB-OG1 3.29Å; T2421-Q2423 PolarHBondContact O-N 3.41Å; T2421-Q2423 PolarHBondContact OG1-N 3.21Å
2422	N	70.2	Confident	77.4	Confident	56 Å²	56	50.8 Å²	50.8	30%	0.299	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	31.2	-169.3	-62.4	-79.8	0	0	0	113.5	Y1976 N2418	Y1976-N2422 WeakPolarHBondContact CD1-O 3.22Å; Y1976-N2422 PolarHBondContact N-O 3.43Å; Y1976-N2422 VanDerWaalsContact N-O 3.13Å; N2418-N2422 PolarHBondContact O-N 2.98Å; N2418-N2422 VanDerWaalsContact O-N 3.12Å
2423	Q	79.2	Confident	76.7	Confident	96 Å²	96	55.2 Å²	55.2	45%	0.449	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	152.6	178.9	-65.9	178.2	18.1	0	0	112.5	F1974 N2418 T2421	F1974-Q2423 CarbonylContact O-C 3.2Å; F1974-Q2423 WeakPolarHBondContact O-CA 3.43Å; N2418-Q2423 PolarHBondContact N-O 2.76Å; T2421-Q2423 PolarHBondContact O-N 3.41Å; T2421-Q2423 PolarHBondContact OG1-N 3.21Å
2424	L	83.2	Confident	76.4	Confident	8 Å²	8	55.1 Å²	55.1	4%	0.042	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	109.7	173.4	-70.8	160.9	0	0	0	109.6	F1974 Y1976 L2415 M2417 V2601 L2611 L2615	F1974-L2424 HydrophobicContact CB-CB 4.24Å; F1974-L2424 HydrophobicContact CD1-CB 4.45Å; F1974-L2424 WeakPolarHBondContact O-CB 3.25Å; F1974-L2424 PolarHBondContact O-N 2.97Å; Y1976-L2424 HydrophobicContact CD1-CG 4.37Å; L2415-L2424 HydrophobicContact CB-CB 4.31Å; L2415-L2424 HydrophobicContact CB-CD2 4.06Å; L2415-L2424 HydrophobicContact CD1-CB 4.5Å; L2415-L2424 HydrophobicContact CD1-CD1 4.29Å; M2417-L2424 HydrophobicContact CB-CD2 4.47Å; M2417-L2424 HydrophobicContact CG-CD2 3.38Å; M2417-L2424 HydrophobicContact CG-CG 4.38Å; M2417-L2424 HydrophobicContact SD-CD2 4.43Å; L2424-V2601 HydrophobicContact CD2-CG1 4.01Å; L2424-L2611 HydrophobicContact CD1-CD1 4.37Å; L2424-L2611 HydrophobicContact CD1-CD2 4.28Å; L2424-L2615 HydrophobicContact CD1-CD1 3.87Å; L2424-L2615 HydrophobicContact CD1-CD2 3.55Å; L2424-L2615 HydrophobicContact CD1-CG 4.35Å
2425	Q	81.5	Confident	76.2	Confident	91 Å²	91	55.7 Å²	55.7	43%	0.425	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	122.9	175.3	-174.9	173.7	5.5	0	0	110.2	V2416 L2427	V2416-Q2425 PolarHBondContact N-O 2.71Å; V2416-Q2425 PolarHBondContact O-N 3.44Å; Q2425-L2427 HydrophobicContact CG-CD2 4.27Å; Q2425-L2427 HydrophobicContact CG-CG 4.31Å
2426	S	81.6	Confident	76.2	Confident	38 Å²	38	57 Å²	57	27%	0.266	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	126.1	174.8	-160.9	0	0	0	0	111.1	Q2413	Q2413-S2426 WeakPolarHBondContact CG-OG 3.4Å; Q2413-S2426 PolarHBondContact NE2-OG 2.87Å
2427	L	80.4	Confident	76.3	Confident	27 Å²	27	57.1 Å²	57.1	14%	0.141	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	140.2	177.1	-65.2	179	0	0	0	110.5	V2414 V2416 Q2425 Y2429 M2448	V2414-L2427 PolarHBondContact N-O 2.71Å; V2414-L2427 PolarHBondContact O-N 2.76Å; V2416-L2427 HydrophobicContact CB-CD1 4.44Å; V2416-L2427 HydrophobicContact CG2-CB 4.4Å; V2416-L2427 HydrophobicContact CG2-CD1 3.98Å; V2416-L2427 HydrophobicContact CG2-CG 4.37Å; Q2425-L2427 HydrophobicContact CG-CD2 4.27Å; Q2425-L2427 HydrophobicContact CG-CG 4.31Å; L2427-Y2429 HydrophobicContact CB-CD2 4.45Å; L2427-Y2429 HydrophobicContact CB-CE2 3.59Å; L2427-Y2429 VanDerWaalsContact CD1-OH 3.29Å; L2427-Y2429 WeakPolarHBondContact CD1-OH 3.45Å; L2427-M2448 HydrophobicContact CD1-SD 4.29Å
2428	N	80.9	Confident	76.5	Confident	77 Å²	77	61.4 Å²	61.4	41%	0.412	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	127	-176.2	-69.3	-40.7	0	0	0	111	C2411 L2412 Q2413	C2411-N2428 HydrophobicContact CB-CB 4.47Å; L2412-N2428 CarbonylContact O-C 3.53Å; L2412-N2428 WeakPolarHBondContact O-CA 3.49Å; Q2413-N2428 WeakPolarHBondContact CA-OD1 3.43Å; Q2413-N2428 WeakPolarHBondContact CB-OD1 3.39Å
2429	Y	79.8	Confident	77	Confident	8 Å²	8	63.5 Å²	63.5	3%	0.031	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	125.6	-171.1	-70.4	-72.3	0	0	0	112.9	C2411 L2412 V2414 L2427 I2431 L2440 L2443 I2444 Q2447	C2411-Y2429 CarbonylContact C-O 3.6Å; C2411-Y2429 VanDerWaalsContact CA-O 3.31Å; C2411-Y2429 WeakPolarHBondContact CA-O 3.07Å; L2412-Y2429 PolarHBondContact N-O 2.83Å; L2412-Y2429 PolarHBondContact O-N 3.24Å; V2414-Y2429 HydrophobicContact CB-CD2 4.26Å; V2414-Y2429 HydrophobicContact CB-CE2 4.32Å; V2414-Y2429 HydrophobicContact CG2-CD2 4.04Å; L2427-Y2429 HydrophobicContact CB-CD2 4.45Å; L2427-Y2429 HydrophobicContact CB-CE2 3.59Å; L2427-Y2429 VanDerWaalsContact CD1-OH 3.29Å; L2427-Y2429 WeakPolarHBondContact CD1-OH 3.45Å; Y2429-I2431 PolarHBondContact O-N 3.14Å; Y2429-L2440 HydrophobicContact CD1-CD1 4.3Å; Y2429-L2440 HydrophobicContact CD2-CD1 4.04Å; Y2429-L2440 HydrophobicContact CG-CD1 3.79Å; Y2429-L2443 HydrophobicContact CD1-CD2 3.46Å; Y2429-L2443 VanDerWaalsContact CD1-CD2 3.46Å; Y2429-L2443 HydrophobicContact CE1-CD2 3.45Å; Y2429-L2443 VanDerWaalsContact CE1-CD2 3.45Å; Y2429-I2444 HydrophobicContact CD2-CG1 4.28Å; Y2429-I2444 HydrophobicContact CE1-CG1 4.3Å; Y2429-I2444 HydrophobicContact CE2-CD1 4.2Å; Y2429-I2444 HydrophobicContact CE2-CG1 3.6Å; Y2429-Q2447 VanDerWaalsContact CZ-OE1 3.32Å; Y2429-Q2447 PolarHBondContact OH-OE1 2.87Å
2430	P	73.4	Confident	77.9	Confident	75 Å²	75	60.9 Å²	60.9	49%	0.487	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	117.1	-179.6	26.9	-34	0	0	0	111.7	V2409	V2409-P2430 HydrophobicContact CG1-CB 4.43Å
2431	I	68.6	Low	79.1	Confident	32 Å²	32	52.7 Å²	52.7	16%	0.164	27%	0.271	C	S	.	.			trans	-73.8	131.9	179.6	-56.9	159.1	0	0	0	109.3	N2410 L2412 Y2429 I2475 T2479	N2410-I2431 HydrophobicContact CB-CB 4.37Å; N2410-I2431 HydrophobicContact CB-CD1 4.28Å; N2410-I2431 WeakPolarHBondContact O-CB 3.34Å; N2410-I2431 WeakPolarHBondContact O-CG1 3.15Å; N2410-I2431 PolarHBondContact O-N 3.06Å; L2412-I2431 HydrophobicContact CB-CD1 3.89Å; L2412-I2431 HydrophobicContact CB-CG1 3.73Å; L2412-I2431 HydrophobicContact CD1-CD1 4.25Å; Y2429-I2431 PolarHBondContact O-N 3.14Å; I2431-I2475 HydrophobicContact CG1-CG2 4.21Å; I2431-I2475 HydrophobicContact CG2-CG2 4.14Å; I2431-T2479 HydrophobicContact CD1-CG2 3.83Å
2432	R	69	Low	79.9	Confident	136 Å²	136	52.6 Å²	52.6	51%	0.513	27%	0.268	S	S	.	.			trans	-104.9	144.2	166.8	-46.5	-175.6	-169.1	-134.6	0.4	108.9	N2434 M2435	R2432-N2434 PolarHBondContact O-N 2.76Å; R2432-M2435 HydrophobicContact CB-CB 4.14Å; R2432-M2435 WeakPolarHBondContact O-CB 3.43Å; R2432-M2435 PolarHBondContact O-N 3.18Å
2433	P	66.6	Low	80.5	Confident	104 Å²	104	53.3 Å²	53.3	68%	0.675	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-20.2	-176.6	-29.1	36	0	0	0	116.3	A2476	P2433-A2476 WeakPolarHBondContact O-CB 3.39Å
2434	N	74.4	Confident	80.8	Confident	57 Å²	57	48.8 Å²	48.8	31%	0.305	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	9.1	177.3	-66	-47.1	0	0	0	113.4	W2368 R2432 T2436 R2474	W2368-N2434 WeakPolarHBondContact CH2-ND2 3.16Å; W2368-N2434 VanDerWaalsContact CZ3-ND2 3.26Å; W2368-N2434 WeakPolarHBondContact CZ3-ND2 3.36Å; R2432-N2434 PolarHBondContact O-N 2.76Å; N2434-T2436 PolarHBondContact O-N 3.13Å; N2434-R2474 PolarHBondContact OD1-NH1 3.17Å
2435	M	82.7	Confident	80.7	Confident	12 Å²	12	48.6 Å²	48.6	6%	0.059	25%	0.25	C	C	.	.			trans	-69.6	120.7	-176.7	-171.6	167.7	76.2	0	0	110.9	R2432 E2439 L2440 I2475	R2432-M2435 HydrophobicContact CB-CB 4.14Å; R2432-M2435 WeakPolarHBondContact O-CB 3.43Å; R2432-M2435 PolarHBondContact O-N 3.18Å; M2435-E2439 HydrophobicContact CG-CB 4.19Å; M2435-L2440 HydrophobicContact CE-CB 4.16Å; M2435-L2440 HydrophobicContact CE-CD1 4.2Å; M2435-L2440 HydrophobicContact CE-CD2 4.25Å; M2435-L2440 HydrophobicContact CE-CG 4.43Å; M2435-L2440 HydrophobicContact SD-CB 4.41Å; M2435-I2475 HydrophobicContact CE-CB 4.25Å; M2435-I2475 HydrophobicContact CE-CG1 4.26Å; M2435-I2475 HydrophobicContact CE-CG2 4.08Å; M2435-I2475 PolarHBondContact O-N 3.34Å
2436	T	86.9	Confident	80.1	Confident	30 Å²	30	47.6 Å²	47.6	18%	0.184	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-81.4	157.9	174.4	56.3	0	0	0	0	111.9	N2434 R2438 E2439 L2440 L2473	N2434-T2436 PolarHBondContact O-N 3.13Å; T2436-R2438 VanDerWaalsContact C-N 3.27Å; T2436-R2438 PolarHBondContact O-N 3.07Å; T2436-E2439 PolarHBondContact N-OE2 3.15Å; T2436-E2439 PolarHBondContact O-N 3.26Å; T2436-E2439 VanDerWaalsContact O-N 3.15Å; T2436-E2439 WeakPolarHBondContact OG1-CB 3.14Å; T2436-E2439 VanDerWaalsContact OG1-CG 3.25Å; T2436-E2439 WeakPolarHBondContact OG1-CG 3.1Å; T2436-E2439 PolarHBondContact OG1-N 3.44Å; T2436-E2439 PolarHBondContact OG1-OE2 3.39Å; T2436-L2440 PolarHBondContact O-N 3.12Å; T2436-L2440 VanDerWaalsContact O-N 3.08Å; T2436-L2473 CarbonylContact C-O 3.56Å; T2436-L2473 VanDerWaalsContact CA-O 3.31Å; T2436-L2473 WeakPolarHBondContact CA-O 3.17Å
2437	A	87.5	Confident	79.7	Confident	3 Å²	3	50 Å²	50	3%	0.025	25%	0.251	C	S	.	.	H	α-helix	trans	-57	-41.3	172.5	0	0	0	0	0	111.2	E2439 L2440 N2441 L2469 E2470 L2473 I2475	A2437-E2439 PolarHBondContact O-N 3.29Å; A2437-L2440 PolarHBondContact O-N 3.4Å; A2437-N2441 WeakPolarHBondContact O-CB 3.3Å; A2437-N2441 PolarHBondContact O-N 3.17Å; A2437-L2469 HydrophobicContact CB-CB 4.47Å; A2437-E2470 WeakPolarHBondContact CB-O 3.23Å; A2437-L2473 PolarHBondContact N-O 3.06Å; A2437-I2475 HydrophobicContact CB-CD1 4.19Å
2438	R	87.1	Confident	79.2	Confident	102 Å²	102	51.2 Å²	51.2	39%	0.385	26%	0.257	S	S	.	.	H	α-helix	trans	-61	-38.6	174.6	-178.8	-177.2	-74.1	147.6	-1	112.8	T2436 N2442 D2471 E2472	T2436-R2438 VanDerWaalsContact C-N 3.27Å; T2436-R2438 PolarHBondContact O-N 3.07Å; R2438-N2442 WeakPolarHBondContact O-CB 3.33Å; R2438-N2442 PolarHBondContact O-N 3.35Å; R2438-N2442 PolarHBondContact O-ND2 3.09Å; R2438-D2471 HydrophobicContact CB-CB 3.98Å; R2438-D2471 WeakPolarHBondContact CB-O 3.11Å; R2438-D2471 IonicContact CZ-OD2 2.72Å; R2438-D2471 PolarHBondContact N-O 3.41Å; R2438-D2471 IonicContact NE-OD2 3.63Å; R2438-D2471 PolarHBondContact NE-OD2 3.03Å; R2438-D2471 IonicContact NH2-OD2 2.72Å; R2438-D2471 PolarHBondContact NH2-OD2 2.91Å; R2438-E2472 IonicContact CZ-OE1 3.09Å; R2438-E2472 IonicContact NH1-OE1 2.74Å; R2438-E2472 PolarHBondContact NH1-OE1 3.17Å; R2438-E2472 IonicContact NH2-OE1 3.53Å
2439	E	85.8	Confident	78.6	Confident	75 Å²	75	54 Å²	54	35%	0.35	26%	0.262	S	S	.	.	H	α-helix	trans	-66.3	-43.3	174.6	-77.2	165.3	128.6	0	0	111.9	M2435 T2436 A2437 N2442 L2443	M2435-E2439 HydrophobicContact CG-CB 4.19Å; T2436-E2439 PolarHBondContact N-OE2 3.15Å; T2436-E2439 PolarHBondContact O-N 3.26Å; T2436-E2439 VanDerWaalsContact O-N 3.15Å; T2436-E2439 WeakPolarHBondContact OG1-CB 3.14Å; T2436-E2439 VanDerWaalsContact OG1-CG 3.25Å; T2436-E2439 WeakPolarHBondContact OG1-CG 3.1Å; T2436-E2439 PolarHBondContact OG1-N 3.44Å; T2436-E2439 PolarHBondContact OG1-OE2 3.39Å; A2437-E2439 PolarHBondContact O-N 3.29Å; E2439-N2442 PolarHBondContact O-N 3.1Å; E2439-L2443 WeakPolarHBondContact O-CB 3.39Å; E2439-L2443 PolarHBondContact O-N 3.11Å
2440	L	87.5	Confident	78	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-65.1	-43.7	174.6	177.7	58.1	0	0	0	111.9	L2412 V2414 Y2429 M2435 T2436 A2437 N2442 L2443 I2444 L2458 I2475	L2412-L2440 HydrophobicContact CD2-CD2 3.49Å; L2412-L2440 VanDerWaalsContact CD2-CD2 3.49Å; V2414-L2440 HydrophobicContact CG2-CD2 4.34Å; Y2429-L2440 HydrophobicContact CD1-CD1 4.3Å; Y2429-L2440 HydrophobicContact CD2-CD1 4.04Å; Y2429-L2440 HydrophobicContact CG-CD1 3.79Å; M2435-L2440 HydrophobicContact CE-CB 4.16Å; M2435-L2440 HydrophobicContact CE-CD1 4.2Å; M2435-L2440 HydrophobicContact CE-CD2 4.25Å; M2435-L2440 HydrophobicContact CE-CG 4.43Å; M2435-L2440 HydrophobicContact SD-CB 4.41Å; T2436-L2440 PolarHBondContact O-N 3.12Å; T2436-L2440 VanDerWaalsContact O-N 3.08Å; A2437-L2440 PolarHBondContact O-N 3.4Å; L2440-N2442 VanDerWaalsContact C-N 3.3Å; L2440-N2442 PolarHBondContact O-N 2.8Å; L2440-L2443 PolarHBondContact O-N 2.93Å; L2440-I2444 HydrophobicContact CD1-CD1 3.97Å; L2440-I2444 HydrophobicContact CD1-CG1 4.11Å; L2440-I2444 HydrophobicContact CG-CD1 3.87Å; L2440-I2444 HydrophobicContact CG-CG1 4.48Å; L2440-I2444 WeakPolarHBondContact O-CG1 3.18Å; L2440-I2444 PolarHBondContact O-N 3.15Å; L2440-L2458 HydrophobicContact CD2-CD2 3.67Å; L2440-L2458 HydrophobicContact CG-CD2 4.24Å; L2440-I2475 HydrophobicContact CB-CG1 4.39Å; L2440-I2475 HydrophobicContact CD2-CD1 3.86Å; L2440-I2475 HydrophobicContact CD2-CG1 3.99Å
2441	N	87.3	Confident	76.8	Confident	7 Å²	7	59 Å²	59	4%	0.037	28%	0.279	C	S	.	.	H	α-helix	trans	-60.6	-39	177.7	-156.9	72.9	0	0	0	111.2	A2437 A2445 S2453 F2456 G2457 L2458 Y2602	A2437-N2441 WeakPolarHBondContact O-CB 3.3Å; A2437-N2441 PolarHBondContact O-N 3.17Å; N2441-A2445 WeakPolarHBondContact O-CB 3.23Å; N2441-A2445 PolarHBondContact O-N 2.96Å; N2441-S2453 PolarHBondContact ND2-O 3.3Å; N2441-S2453 VanDerWaalsContact ND2-O 3.13Å; N2441-F2456 PolarHBondContact ND2-O 2.95Å; N2441-G2457 VanDerWaalsContact OD1-C 3.24Å; N2441-G2457 WeakPolarHBondContact OD1-CA 3.14Å; N2441-L2458 PolarHBondContact OD1-N 3.36Å; N2441-Y2602 HydrophobicContact CB-CE2 4.48Å; N2441-Y2602 WeakPolarHBondContact OD1-CD2 3.24Å; N2441-Y2602 VanDerWaalsContact OD1-CE2 3.24Å; N2441-Y2602 WeakPolarHBondContact OD1-CE2 3.14Å
2442	N	83.6	Confident	76.7	Confident	70 Å²	70	61.3 Å²	61.3	37%	0.374	29%	0.292	S	S	.	.	H	α-helix	trans	-68.5	-34	171.9	-75.8	-40.8	0	0	0	113.2	R2438 E2439 L2440 F2446 S2453	R2438-N2442 WeakPolarHBondContact O-CB 3.33Å; R2438-N2442 PolarHBondContact O-N 3.35Å; R2438-N2442 PolarHBondContact O-ND2 3.09Å; E2439-N2442 PolarHBondContact O-N 3.1Å; L2440-N2442 VanDerWaalsContact C-N 3.3Å; L2440-N2442 PolarHBondContact O-N 2.8Å; N2442-F2446 WeakPolarHBondContact O-CB 3.14Å; N2442-F2446 PolarHBondContact O-N 3.14Å; N2442-S2453 VanDerWaalsContact OD1-CB 3.29Å; N2442-S2453 WeakPolarHBondContact OD1-CB 3.41Å; N2442-S2453 PolarHBondContact OD1-OG 3.3Å
2443	L	83.3	Confident	76.8	Confident	72 Å²	72	56.2 Å²	56.2	38%	0.377	28%	0.277	S	S	.	.	H	α-helix	trans	-74.7	-40.2	-179.4	-166.6	149.5	0	0	0	111.4	Y2429 E2439 L2440 F2446 Q2447	Y2429-L2443 HydrophobicContact CD1-CD2 3.46Å; Y2429-L2443 VanDerWaalsContact CD1-CD2 3.46Å; Y2429-L2443 HydrophobicContact CE1-CD2 3.45Å; Y2429-L2443 VanDerWaalsContact CE1-CD2 3.45Å; E2439-L2443 WeakPolarHBondContact O-CB 3.39Å; E2439-L2443 PolarHBondContact O-N 3.11Å; L2440-L2443 PolarHBondContact O-N 2.93Å; L2443-F2446 PolarHBondContact O-N 3.4Å; L2443-Q2447 PolarHBondContact O-N 2.92Å; L2443-Q2447 VanDerWaalsContact O-N 3.12Å
2444	I	85.5	Confident	77.1	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-63.6	-47.5	169.3	-60.2	159.2	0	0	0	110	V2414 V2416 Y2429 L2440 F2446 Q2447 M2448 L2458 Y2602	V2414-I2444 HydrophobicContact CG1-CD1 4.06Å; V2414-I2444 HydrophobicContact CG2-CD1 4.48Å; V2416-I2444 HydrophobicContact CG1-CG2 4Å; V2416-I2444 HydrophobicContact CG2-CG2 3.98Å; Y2429-I2444 HydrophobicContact CD2-CG1 4.28Å; Y2429-I2444 HydrophobicContact CE1-CG1 4.3Å; Y2429-I2444 HydrophobicContact CE2-CD1 4.2Å; Y2429-I2444 HydrophobicContact CE2-CG1 3.6Å; L2440-I2444 HydrophobicContact CD1-CD1 3.97Å; L2440-I2444 HydrophobicContact CD1-CG1 4.11Å; L2440-I2444 HydrophobicContact CG-CD1 3.87Å; L2440-I2444 HydrophobicContact CG-CG1 4.48Å; L2440-I2444 WeakPolarHBondContact O-CG1 3.18Å; L2440-I2444 PolarHBondContact O-N 3.15Å; I2444-F2446 PolarHBondContact O-N 3.01Å; I2444-Q2447 PolarHBondContact O-N 2.85Å; I2444-Q2447 VanDerWaalsContact O-N 3.1Å; I2444-M2448 HydrophobicContact CG2-CG 3.99Å; I2444-M2448 WeakPolarHBondContact O-CB 3.4Å; I2444-M2448 WeakPolarHBondContact O-CG 3.13Å; I2444-M2448 PolarHBondContact O-N 2.92Å; I2444-L2458 HydrophobicContact CD1-CD1 3.68Å; I2444-Y2602 HydrophobicContact CB-CD2 3.86Å; I2444-Y2602 HydrophobicContact CB-CE2 3.79Å; I2444-Y2602 HydrophobicContact CB-CG 4.32Å; I2444-Y2602 HydrophobicContact CD1-CD2 3.71Å; I2444-Y2602 HydrophobicContact CD1-CE2 4.39Å; I2444-Y2602 HydrophobicContact CD1-CG 4.21Å; I2444-Y2602 HydrophobicContact CG1-CD2 4.4Å; I2444-Y2602 HydrophobicContact CG2-CD1 3.7Å; I2444-Y2602 HydrophobicContact CG2-CD2 3.64Å; I2444-Y2602 HydrophobicContact CG2-CE1 3.81Å; I2444-Y2602 HydrophobicContact CG2-CE2 3.75Å; I2444-Y2602 HydrophobicContact CG2-CG 3.59Å
2445	A	82.1	Confident	77	Confident	4 Å²	4	59.1 Å²	59.1	3%	0.033	28%	0.279	C	S	.	.	H	α-helix	trans	-54.8	-40.5	177.2	0	0	0	0	0	112.8	N2441 R2449 T2450 Y2602	N2441-A2445 WeakPolarHBondContact O-CB 3.23Å; N2441-A2445 PolarHBondContact O-N 2.96Å; A2445-R2449 WeakPolarHBondContact O-CA 3.24Å; A2445-R2449 PolarHBondContact O-N 3.4Å; A2445-T2450 VanDerWaalsContact CA-OG1 3.23Å; A2445-T2450 WeakPolarHBondContact CA-OG1 3.46Å; A2445-T2450 VanDerWaalsContact CB-OG1 3.24Å; A2445-T2450 WeakPolarHBondContact CB-OG1 3.5Å; A2445-T2450 PolarHBondContact O-N 3.02Å; A2445-T2450 PolarHBondContact O-OG1 3.02Å; A2445-Y2602 WeakPolarHBondContact CA-OH 2.22Å; A2445-Y2602 WeakPolarHBondContact CB-OH 3.09Å
2446	F	68.3	Low	77	Confident	71 Å²	71	59.4 Å²	59.4	31%	0.311	28%	0.28	S	S	.	.	H	α-helix	trans	-67.6	-43.5	176.7	177.7	-106	0	0	0	112.2	W208 N229 N2442 L2443 I2444 R2449	W208-F2446 HydrophobicContact CZ2-CD2 4.13Å; W208-F2446 HydrophobicContact CZ2-CE2 4.15Å; W208-F2446 AromaticContact NE1-CE2 3.69Å; W208-F2446 AromaticContact NE1-CZ 3.64Å; N229-F2446 WeakPolarHBondContact OD1-CZ 3.43Å; N2442-F2446 WeakPolarHBondContact O-CB 3.14Å; N2442-F2446 PolarHBondContact O-N 3.14Å; L2443-F2446 PolarHBondContact O-N 3.4Å; I2444-F2446 PolarHBondContact O-N 3.01Å; F2446-R2449 PolarHBondContact O-N 2.86Å
2447	Q	73	Confident	76.9	Confident	88 Å²	88	58 Å²	58	41%	0.411	27%	0.272	S	S	.	.	H	α-helix	trans	-67	-40	177.7	-172.6	173.6	0	0	0	112.4	Y2429 L2443 I2444 R2449	Y2429-Q2447 VanDerWaalsContact CZ-OE1 3.32Å; Y2429-Q2447 PolarHBondContact OH-OE1 2.87Å; L2443-Q2447 PolarHBondContact O-N 2.92Å; L2443-Q2447 VanDerWaalsContact O-N 3.12Å; I2444-Q2447 PolarHBondContact O-N 2.85Å; I2444-Q2447 VanDerWaalsContact O-N 3.1Å; Q2447-R2449 VanDerWaalsContact C-N 3.29Å; Q2447-R2449 PolarHBondContact O-N 3.02Å
2448	M	70.8	Confident	77	Confident	53 Å²	53	58 Å²	58	26%	0.261	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-1.7	177	-60	-58.6	-69	0	0	113.7	V2416 L2427 I2444 T2450	V2416-M2448 HydrophobicContact CG1-CE 3.81Å; V2416-M2448 HydrophobicContact CG1-CG 3.74Å; V2416-M2448 HydrophobicContact CG1-SD 3.84Å; L2427-M2448 HydrophobicContact CD1-SD 4.29Å; I2444-M2448 HydrophobicContact CG2-CG 3.99Å; I2444-M2448 WeakPolarHBondContact O-CB 3.4Å; I2444-M2448 WeakPolarHBondContact O-CG 3.13Å; I2444-M2448 PolarHBondContact O-N 2.92Å; M2448-T2450 HydrophobicContact CB-CG2 4.13Å; M2448-T2450 PolarHBondContact O-N 3.49Å
2449	R	66.5	Low	77	Confident	135 Å²	135	54 Å²	54	51%	0.509	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	25.8	179	-43.3	178.3	-156.5	-172.7	0.4	115	E226 A2445 F2446 Q2447 F2451	E226-R2449 IonicContact OE1-CZ 3.19Å; E226-R2449 IonicContact OE1-NH1 2.7Å; E226-R2449 PolarHBondContact OE1-NH1 3.25Å; E226-R2449 IonicContact OE1-NH2 2.69Å; E226-R2449 PolarHBondContact OE1-NH2 3.4Å; E226-R2449 IonicContact OE2-CZ 3.4Å; E226-R2449 IonicContact OE2-NH1 3.09Å; E226-R2449 PolarHBondContact OE2-NH1 2.87Å; E226-R2449 IonicContact OE2-NH2 2.71Å; A2445-R2449 WeakPolarHBondContact O-CA 3.24Å; A2445-R2449 PolarHBondContact O-N 3.4Å; F2446-R2449 PolarHBondContact O-N 2.86Å; Q2447-R2449 VanDerWaalsContact C-N 3.29Å; Q2447-R2449 PolarHBondContact O-N 3.02Å; R2449-F2451 PolarHBondContact O-N 3.35Å
2450	T	68	Low	76.9	Confident	32 Å²	32	50.6 Å²	50.6	20%	0.196	24%	0.241	C	C	.	.			trans	-68.3	122.6	178.8	56.7	0	0	0	0	110.2	A2445 M2448 D2452 F2456	A2445-T2450 VanDerWaalsContact CA-OG1 3.23Å; A2445-T2450 WeakPolarHBondContact CA-OG1 3.46Å; A2445-T2450 VanDerWaalsContact CB-OG1 3.24Å; A2445-T2450 WeakPolarHBondContact CB-OG1 3.5Å; A2445-T2450 PolarHBondContact O-N 3.02Å; A2445-T2450 PolarHBondContact O-OG1 3.02Å; M2448-T2450 HydrophobicContact CB-CG2 4.13Å; M2448-T2450 PolarHBondContact O-N 3.49Å; T2450-D2452 VanDerWaalsContact C-N 3.33Å; T2450-D2452 PolarHBondContact O-N 3.45Å; T2450-F2456 HydrophobicContact CG2-CD2 4.09Å; T2450-F2456 HydrophobicContact CG2-CE1 4.21Å; T2450-F2456 HydrophobicContact CG2-CE2 3.67Å; T2450-F2456 HydrophobicContact CG2-CZ 3.74Å
2451	F	49.2	Very low	76.5	Confident	156 Å²	156	51.7 Å²	51.7	68%	0.684	25%	0.245	S	C	*	.	S	Bend	trans	-64.9	-24.2	-168.1	-99.7	-83.8	0	0	0	116.2	R2449	R2449-F2451 PolarHBondContact O-N 3.35Å
2452	D	65.9	Low	75.8	Confident	81 Å²	81	53.1 Å²	53.1	43%	0.433	25%	0.253	S	S	.	.			trans	-135.8	118.3	168.1	-163.9	-29.1	0	0	0	109.2	T2450 K2454 D2455	T2450-D2452 VanDerWaalsContact C-N 3.33Å; T2450-D2452 PolarHBondContact O-N 3.45Å; D2452-K2454 PolarHBondContact O-N 2.57Å; D2452-K2454 VanDerWaalsContact OD1-CB 3.26Å; D2452-K2454 WeakPolarHBondContact OD1-CB 3.42Å; D2452-K2454 VanDerWaalsContact OD1-CG 3.29Å; D2452-K2454 WeakPolarHBondContact OD1-CG 3.38Å; D2452-K2454 PolarHBondContact OD1-N 3.27Å; D2452-D2455 PolarHBondContact O-N 2.71Å
2453	S	71.3	Confident	74.7	Confident	29 Å²	29	55.6 Å²	55.6	20%	0.203	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-8.5	-180	60.2	0	0	0	0	113.5	N2441 N2442 F2456	N2441-S2453 PolarHBondContact ND2-O 3.3Å; N2441-S2453 VanDerWaalsContact ND2-O 3.13Å; N2442-S2453 VanDerWaalsContact OD1-CB 3.29Å; N2442-S2453 WeakPolarHBondContact OD1-CB 3.41Å; N2442-S2453 PolarHBondContact OD1-OG 3.3Å; S2453-F2456 VanDerWaalsContact O-O 3.14Å
2454	K	73.2	Confident	73.6	Confident	157 Å²	157	54.5 Å²	54.5	68%	0.683	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-28.7	176.4	-63.9	175.7	178.6	-175.5	0	113.5	D2452 F2456	D2452-K2454 PolarHBondContact O-N 2.57Å; D2452-K2454 VanDerWaalsContact OD1-CB 3.26Å; D2452-K2454 WeakPolarHBondContact OD1-CB 3.42Å; D2452-K2454 VanDerWaalsContact OD1-CG 3.29Å; D2452-K2454 WeakPolarHBondContact OD1-CG 3.38Å; D2452-K2454 PolarHBondContact OD1-N 3.27Å; K2454-F2456 PolarHBondContact O-N 2.83Å
2455	D	72.2	Confident	72.4	Confident	64 Å²	64	57.7 Å²	57.7	34%	0.342	29%	0.291	S	S	.	.	S	Bend	trans	-67.1	-17.1	175.4	-85.7	12.5	0	0	0	111.6	D2452 R2604 K2605	D2452-D2455 PolarHBondContact O-N 2.71Å; D2455-R2604 CarbonylContact O-C 3.56Å; D2455-R2604 WeakPolarHBondContact O-CA 3.38Å; D2455-R2604 VanDerWaalsContact O-CG 3.22Å; D2455-R2604 WeakPolarHBondContact O-CG 3.11Å; D2455-K2605 PolarHBondContact O-N 3.33Å
2456	F	82.9	Confident	72.2	Confident	18 Å²	18	60.8 Å²	60.8	8%	0.079	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	153.1	-177.9	-66.2	-96.8	0	0	0	112	N2441 T2450 S2453 K2454 Y2602 K2603 R2604 K2605	N2441-F2456 PolarHBondContact ND2-O 2.95Å; T2450-F2456 HydrophobicContact CG2-CD2 4.09Å; T2450-F2456 HydrophobicContact CG2-CE1 4.21Å; T2450-F2456 HydrophobicContact CG2-CE2 3.67Å; T2450-F2456 HydrophobicContact CG2-CZ 3.74Å; S2453-F2456 VanDerWaalsContact O-O 3.14Å; K2454-F2456 PolarHBondContact O-N 2.83Å; F2456-Y2602 HydrophobicContact CB-CE1 3.84Å; F2456-Y2602 HydrophobicContact CB-CE2 3.94Å; F2456-Y2602 VanDerWaalsContact CB-CZ 3.42Å; F2456-Y2602 VanDerWaalsContact CB-OH 3.25Å; F2456-Y2602 WeakPolarHBondContact CB-OH 2.23Å; F2456-Y2602 HydrophobicContact CD1-CD1 4.22Å; F2456-Y2602 AromaticContact CD1-CE1 3.51Å; F2456-Y2602 HydrophobicContact CD1-CE1 3.51Å; F2456-Y2602 HydrophobicContact CE1-CE1 4.34Å; F2456-Y2602 AromaticContact CG-CE1 3.84Å; F2456-Y2602 HydrophobicContact CG-CE1 3.84Å; F2456-Y2602 AromaticContact CG-CZ 3.83Å; F2456-K2603 CarbonylContact C-O 3.52Å; F2456-K2603 WeakPolarHBondContact CA-O 2.23Å; F2456-R2604 HydrophobicContact CD1-CB 4.31Å; F2456-R2604 HydrophobicContact CD1-CG 4.25Å; F2456-R2604 HydrophobicContact CE1-CB 4.15Å; F2456-R2604 HydrophobicContact CE1-CG 3.96Å; F2456-R2604 HydrophobicContact CE2-CG 4.29Å; F2456-R2604 HydrophobicContact CZ-CG 3.98Å; F2456-K2605 VanDerWaalsContact O-CE 3.24Å; F2456-K2605 WeakPolarHBondContact O-CE 3.48Å
2457	G	84.3	Confident	72.8	Confident	1 Å²	1	60.8 Å²	60.8	1%	0.01	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	157.2	-178.3	0	0	0	0	0	111.8	N2441 F2459 K2603 K2605	N2441-G2457 VanDerWaalsContact OD1-C 3.24Å; N2441-G2457 WeakPolarHBondContact OD1-CA 3.14Å; G2457-F2459 WeakPolarHBondContact O-CD2 3.41Å; G2457-K2603 PolarHBondContact N-O 3.17Å; G2457-K2603 PolarHBondContact O-N 2.88Å; G2457-K2603 VanDerWaalsContact O-N 3.1Å; G2457-K2605 VanDerWaalsContact CA-CE 3.5Å
2458	L	88.7	Confident	73.3	Confident	4 Å²	4	60.8 Å²	60.8	2%	0.021	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	117.9	174.3	-147	70.5	0	0	0	107.6	V2414 L2440 N2441 I2444 L2469 I2475 L2600 Y2602	V2414-L2458 HydrophobicContact CG1-CD1 4.01Å; L2440-L2458 HydrophobicContact CD2-CD2 3.67Å; L2440-L2458 HydrophobicContact CG-CD2 4.24Å; N2441-L2458 PolarHBondContact OD1-N 3.36Å; I2444-L2458 HydrophobicContact CD1-CD1 3.68Å; L2458-L2469 HydrophobicContact CB-CD1 4.19Å; L2458-L2469 HydrophobicContact CD2-CD1 3.87Å; L2458-L2469 HydrophobicContact CG-CD1 4.11Å; L2458-L2469 WeakPolarHBondContact O-CB 3.45Å; L2458-L2469 PolarHBondContact O-N 2.82Å; L2458-I2475 HydrophobicContact CD2-CD1 3.99Å; L2458-L2600 HydrophobicContact CD2-CD2 3.61Å; L2458-L2600 HydrophobicContact CG-CD2 3.92Å; L2458-Y2602 HydrophobicContact CD1-CD2 4.02Å
2459	F	87.3	Confident	74	Confident	17 Å²	17	59 Å²	59	8%	0.075	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	156.5	-179.8	-64.3	-100.9	0	0	0	109.7	G2457 E2466 I2467 Q2468 L2600 V2601 K2603 K2605	G2457-F2459 WeakPolarHBondContact O-CD2 3.41Å; F2459-E2466 HydrophobicContact CB-CG 3.96Å; F2459-E2466 WeakPolarHBondContact CB-OE1 3.47Å; F2459-E2466 HydrophobicContact CD1-CG 3.81Å; F2459-E2466 HydrophobicContact CG-CG 4.26Å; F2459-E2466 WeakPolarHBondContact CG-OE1 3.41Å; F2459-I2467 CarbonylContact C-O 3.12Å; F2459-I2467 WeakPolarHBondContact CA-O 3.38Å; F2459-Q2468 HydrophobicContact CD1-CB 3.74Å; F2459-Q2468 HydrophobicContact CD1-CG 3.95Å; F2459-Q2468 HydrophobicContact CE1-CB 3.6Å; F2459-Q2468 HydrophobicContact CE1-CG 3.62Å; F2459-Q2468 HydrophobicContact CE2-CG 4.33Å; F2459-Q2468 HydrophobicContact CG-CG 4.45Å; F2459-Q2468 HydrophobicContact CZ-CB 4.31Å; F2459-Q2468 HydrophobicContact CZ-CG 3.83Å; F2459-L2600 CarbonylContact O-C 3.45Å; F2459-L2600 VanDerWaalsContact O-CA 3.32Å; F2459-L2600 WeakPolarHBondContact O-CA 3.02Å; F2459-V2601 PolarHBondContact N-O 2.94Å; F2459-V2601 PolarHBondContact O-N 2.9Å; F2459-K2603 HydrophobicContact CD2-CD 4.14Å; F2459-K2603 HydrophobicContact CD2-CG 3.45Å; F2459-K2603 VanDerWaalsContact CD2-CG 3.45Å; F2459-K2603 HydrophobicContact CE2-CD 4.23Å; F2459-K2603 HydrophobicContact CE2-CG 3.51Å; F2459-K2603 HydrophobicContact CG-CG 4.3Å; F2459-K2603 HydrophobicContact CZ-CG 4.4Å; F2459-K2605 HydrophobicContact CE2-CG 4.41Å; F2459-K2605 HydrophobicContact CZ-CG 4.25Å
2460	V	85.2	Confident	74.8	Confident	3 Å²	3	59.5 Å²	59.5	2%	0.018	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	124.7	179.2	158.5	0	0	0	0	108.8	I2462 E2466 I2467 L2469 F2478 P2598 V2599 L2600	V2460-I2462 HydrophobicContact CG1-CD1 3.65Å; V2460-I2462 HydrophobicContact CG1-CG1 3.71Å; V2460-E2466 WeakPolarHBondContact O-CA 3.31Å; V2460-I2467 PolarHBondContact N-O 2.91Å; V2460-I2467 PolarHBondContact O-N 3.01Å; V2460-L2469 HydrophobicContact CG2-CD1 3.73Å; V2460-L2469 HydrophobicContact CG2-CD2 3.9Å; V2460-L2469 HydrophobicContact CG2-CG 3.84Å; V2460-F2478 HydrophobicContact CB-CE2 4.43Å; V2460-F2478 HydrophobicContact CB-CZ 4.3Å; V2460-F2478 HydrophobicContact CG1-CE2 4.18Å; V2460-F2478 HydrophobicContact CG1-CZ 3.86Å; V2460-F2478 HydrophobicContact CG2-CE1 4.33Å; V2460-F2478 HydrophobicContact CG2-CE2 3.62Å; V2460-F2478 HydrophobicContact CG2-CZ 3.43Å; V2460-F2478 VanDerWaalsContact CG2-CZ 3.43Å; V2460-P2598 HydrophobicContact CG1-CB 4.09Å; V2460-V2599 WeakPolarHBondContact CA-O 2.62Å; V2460-L2600 HydrophobicContact CG2-CD2 4.32Å; V2460-L2600 HydrophobicContact CG2-CG 3.95Å
2461	Y	78.2	Confident	75.5	Confident	24 Å²	24	60.1 Å²	60.1	9%	0.094	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	119.8	170.8	-80.3	-97.7	0	0	0	109.9	T2465 E2466 V2599 V2601 L2611 L2616	Y2461-T2465 WeakPolarHBondContact CA-O 3.18Å; Y2461-E2466 HydrophobicContact CD1-CB 4.22Å; Y2461-E2466 HydrophobicContact CD2-CG 4.2Å; Y2461-E2466 HydrophobicContact CE1-CB 3.76Å; Y2461-E2466 HydrophobicContact CE1-CG 4.26Å; Y2461-E2466 HydrophobicContact CE2-CB 4.08Å; Y2461-E2466 HydrophobicContact CE2-CG 3.64Å; Y2461-E2466 VanDerWaalsContact CE2-OE1 3.25Å; Y2461-E2466 WeakPolarHBondContact CE2-OE1 3.36Å; Y2461-E2466 VanDerWaalsContact CZ-CD 3.47Å; Y2461-E2466 PolarHBondContact OH-OE1 3.47Å; Y2461-E2466 PolarHBondContact OH-OE2 3.26Å; Y2461-V2599 PolarHBondContact N-O 3.09Å; Y2461-V2599 PolarHBondContact O-N 3.45Å; Y2461-V2601 HydrophobicContact CD2-CB 4.2Å; Y2461-V2601 HydrophobicContact CD2-CG2 3.6Å; Y2461-V2601 HydrophobicContact CE2-CB 4.14Å; Y2461-V2601 HydrophobicContact CE2-CG2 3.84Å; Y2461-L2611 HydrophobicContact CD2-CD1 4.15Å; Y2461-L2611 HydrophobicContact CE1-CD1 4.05Å; Y2461-L2611 HydrophobicContact CE2-CD1 3.55Å; Y2461-L2611 HydrophobicContact CE2-CG 4.49Å; Y2461-L2611 VanDerWaalsContact CZ-CD1 3.48Å; Y2461-L2616 HydrophobicContact CD1-CD2 4.45Å
2462	I	72.5	Confident	77	Confident	37 Å²	37	59.3 Å²	59.3	19%	0.19	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	126.7	172	-66.7	165.8	0	0	0	106.7	V2460 G2464 T2465 P2598	V2460-I2462 HydrophobicContact CG1-CD1 3.65Å; V2460-I2462 HydrophobicContact CG1-CG1 3.71Å; I2462-G2464 PolarHBondContact O-N 3.37Å; I2462-T2465 PolarHBondContact N-O 3.25Å; I2462-T2465 PolarHBondContact O-N 2.76Å; I2462-T2465 PolarHBondContact O-OG1 3.04Å; I2462-P2598 HydrophobicContact CD1-CB 4.17Å; I2462-P2598 HydrophobicContact CG1-CB 3.8Å
2463	N	60	Low	77.8	Confident	122 Å²	122	56.4 Å²	56.4	65%	0.652	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.3	39.4	174.1	-60.8	-0.2	0	0	0	114.8	T2465	N2463-T2465 VanDerWaalsContact C-N 3.28Å; N2463-T2465 PolarHBondContact O-N 3.08Å
2464	G	61.8	Low	78.1	Confident	48 Å²	48	59.9 Å²	59.9	50%	0.495	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.8	-8.3	-179.3	0	0	0	0	0	116	I2462	I2462-G2464 PolarHBondContact O-N 3.37Å
2465	T	59.7	Low	78.3	Confident	68 Å²	68	52.4 Å²	52.4	42%	0.417	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	137.1	169.6	41	0	0	0	0	111.8	L1062 Y2461 I2462 N2463	L1062-T2465 HydrophobicContact CD1-CG2 4.46Å; Y2461-T2465 WeakPolarHBondContact CA-O 3.18Å; I2462-T2465 PolarHBondContact N-O 3.25Å; I2462-T2465 PolarHBondContact O-N 2.76Å; I2462-T2465 PolarHBondContact O-OG1 3.04Å; N2463-T2465 VanDerWaalsContact C-N 3.28Å; N2463-T2465 PolarHBondContact O-N 3.08Å
2466	E	77.3	Confident	78	Confident	69 Å²	69	50.3 Å²	50.3	32%	0.322	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	128.7	174.7	-176.4	177.7	-143.6	0	0	110.3	F2459 V2460 Y2461 K2603	F2459-E2466 HydrophobicContact CB-CG 3.96Å; F2459-E2466 WeakPolarHBondContact CB-OE1 3.47Å; F2459-E2466 HydrophobicContact CD1-CG 3.81Å; F2459-E2466 HydrophobicContact CG-CG 4.26Å; F2459-E2466 WeakPolarHBondContact CG-OE1 3.41Å; V2460-E2466 WeakPolarHBondContact O-CA 3.31Å; Y2461-E2466 HydrophobicContact CD1-CB 4.22Å; Y2461-E2466 HydrophobicContact CD2-CG 4.2Å; Y2461-E2466 HydrophobicContact CE1-CB 3.76Å; Y2461-E2466 HydrophobicContact CE1-CG 4.26Å; Y2461-E2466 HydrophobicContact CE2-CB 4.08Å; Y2461-E2466 HydrophobicContact CE2-CG 3.64Å; Y2461-E2466 VanDerWaalsContact CE2-OE1 3.25Å; Y2461-E2466 WeakPolarHBondContact CE2-OE1 3.36Å; Y2461-E2466 VanDerWaalsContact CZ-CD 3.47Å; Y2461-E2466 PolarHBondContact OH-OE1 3.47Å; Y2461-E2466 PolarHBondContact OH-OE2 3.26Å; E2466-K2603 WeakPolarHBondContact OE1-CE 3.39Å; E2466-K2603 IonicContact OE1-NZ 3.65Å; E2466-K2603 PolarHBondContact OE1-NZ 2.79Å; E2466-K2603 IonicContact OE2-NZ 2.83Å; E2466-K2603 PolarHBondContact OE2-NZ 3.07Å
2467	I	80.1	Confident	77.1	Confident	71 Å²	71	53.1 Å²	53.1	36%	0.364	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	125.4	-179.3	-55.8	176	0	0	0	108.3	F2459 V2460	F2459-I2467 CarbonylContact C-O 3.12Å; F2459-I2467 WeakPolarHBondContact CA-O 3.38Å; V2460-I2467 PolarHBondContact N-O 2.91Å; V2460-I2467 PolarHBondContact O-N 3.01Å
2468	Q	84.8	Confident	76.1	Confident	88 Å²	88	53.5 Å²	53.5	41%	0.411	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	132.5	172.6	-162.5	-169.5	-79.3	0	0	109.8	F2459	F2459-Q2468 HydrophobicContact CD1-CB 3.74Å; F2459-Q2468 HydrophobicContact CD1-CG 3.95Å; F2459-Q2468 HydrophobicContact CE1-CB 3.6Å; F2459-Q2468 HydrophobicContact CE1-CG 3.62Å; F2459-Q2468 HydrophobicContact CE2-CG 4.33Å; F2459-Q2468 HydrophobicContact CG-CG 4.45Å; F2459-Q2468 HydrophobicContact CZ-CB 4.31Å; F2459-Q2468 HydrophobicContact CZ-CG 3.83Å
2469	L	86.1	Confident	74.7	Confident	14 Å²	14	55.2 Å²	55.2	7%	0.073	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-75.3	139.3	171.9	-66.2	171.6	0	0	0	110.6	A2437 L2458 V2460 L2473 F2478 L2600	A2437-L2469 HydrophobicContact CB-CB 4.47Å; L2458-L2469 HydrophobicContact CB-CD1 4.19Å; L2458-L2469 HydrophobicContact CD2-CD1 3.87Å; L2458-L2469 HydrophobicContact CG-CD1 4.11Å; L2458-L2469 WeakPolarHBondContact O-CB 3.45Å; L2458-L2469 PolarHBondContact O-N 2.82Å; V2460-L2469 HydrophobicContact CG2-CD1 3.73Å; V2460-L2469 HydrophobicContact CG2-CD2 3.9Å; V2460-L2469 HydrophobicContact CG2-CG 3.84Å; L2469-L2473 HydrophobicContact CD2-CD2 3.73Å; L2469-F2478 HydrophobicContact CD2-CD2 3.88Å; L2469-F2478 HydrophobicContact CD2-CE2 3.88Å; L2469-L2600 HydrophobicContact CD1-CD2 3.69Å
2470	E	82.5	Confident	72.5	Confident	147 Å²	147	57.1 Å²	57.1	69%	0.687	30%	0.301	S	S	*	.	P	Polyproline II helix	trans	-65.7	133.5	170.1	-70.9	179.3	-164.2	0	0	110.6	A2437 E2472 L2473	A2437-E2470 WeakPolarHBondContact CB-O 3.23Å; E2470-E2472 PolarHBondContact O-N 3.48Å; E2470-L2473 HydrophobicContact CB-CB 4.41Å; E2470-L2473 WeakPolarHBondContact O-CB 3.13Å; E2470-L2473 PolarHBondContact O-N 3.2Å
2471	D	82.7	Confident	70.2	Confident	45 Å²	45	60.5 Å²	60.5	24%	0.241	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.5	-32.8	178.6	-92.4	28.8	0	0	0	113.5	R2438 K2605	R2438-D2471 HydrophobicContact CB-CB 3.98Å; R2438-D2471 WeakPolarHBondContact CB-O 3.11Å; R2438-D2471 IonicContact CZ-OD2 2.72Å; R2438-D2471 PolarHBondContact N-O 3.41Å; R2438-D2471 IonicContact NE-OD2 3.63Å; R2438-D2471 PolarHBondContact NE-OD2 3.03Å; R2438-D2471 IonicContact NH2-OD2 2.72Å; R2438-D2471 PolarHBondContact NH2-OD2 2.91Å; D2471-K2605 IonicContact OD1-NZ 2.78Å; D2471-K2605 PolarHBondContact OD1-NZ 3.1Å
2472	E	81.5	Confident	68	Low	138 Å²	138	64.6 Å²	64.6	65%	0.645	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-3.5	-174.5	-49.2	-155.8	167	0	0	113.8	R2438 E2470 R2474	R2438-E2472 IonicContact CZ-OE1 3.09Å; R2438-E2472 IonicContact NH1-OE1 2.74Å; R2438-E2472 PolarHBondContact NH1-OE1 3.17Å; R2438-E2472 IonicContact NH2-OE1 3.53Å; E2470-E2472 PolarHBondContact O-N 3.48Å; E2472-R2474 PolarHBondContact O-N 2.92Å
2473	L	80.8	Confident	65.8	Low	21 Å²	21	66.6 Å²	66.6	11%	0.11	36%	0.359	C	S	.	.			trans	-61.4	135.5	176.4	-166.5	80.9	0	0	0	110.7	T2436 A2437 L2469 E2470 I2475 F2478 W2560	T2436-L2473 CarbonylContact C-O 3.56Å; T2436-L2473 VanDerWaalsContact CA-O 3.31Å; T2436-L2473 WeakPolarHBondContact CA-O 3.17Å; A2437-L2473 PolarHBondContact N-O 3.06Å; L2469-L2473 HydrophobicContact CD2-CD2 3.73Å; E2470-L2473 HydrophobicContact CB-CB 4.41Å; E2470-L2473 WeakPolarHBondContact O-CB 3.13Å; E2470-L2473 PolarHBondContact O-N 3.2Å; L2473-I2475 PolarHBondContact O-N 2.91Å; L2473-F2478 HydrophobicContact CD2-CD2 4.25Å; L2473-W2560 HydrophobicContact CD1-CD2 4.01Å; L2473-W2560 HydrophobicContact CD1-CG 4.12Å; L2473-W2560 HydrophobicContact CD2-CH2 4.29Å; L2473-W2560 HydrophobicContact CD2-CZ2 4.34Å; L2473-W2560 HydrophobicContact CD2-CZ3 4.36Å
2474	R	78	Confident	64.2	Low	101 Å²	101	67.1 Å²	67.1	38%	0.381	36%	0.362	S	S	.	.	B	Isolated β-bridge	trans	-78.8	120.5	174.8	-65.9	-179.1	178.9	-138.7	-3.6	110.3	N2434 E2472 A2476 E2477 F2478	N2434-R2474 PolarHBondContact OD1-NH1 3.17Å; E2472-R2474 PolarHBondContact O-N 2.92Å; R2474-A2476 PolarHBondContact O-N 2.96Å; R2474-E2477 HydrophobicContact CB-CB 4.29Å; R2474-E2477 HydrophobicContact CB-CG 4.02Å; R2474-E2477 WeakPolarHBondContact CD-OE1 3.47Å; R2474-E2477 PolarHBondContact O-N 3.14Å; R2474-F2478 PolarHBondContact O-N 3.47Å
2475	I	78.5	Confident	62.5	Low	0 Å²	0	70.8 Å²	70.8	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-56.6	-34.1	174.6	-63.8	-61.2	0	0	0	111.2	L2412 I2431 M2435 A2437 L2440 L2458 L2473 E2477 F2478 T2479	L2412-I2475 HydrophobicContact CD1-CG2 4.3Å; L2412-I2475 HydrophobicContact CD2-CG2 3.82Å; I2431-I2475 HydrophobicContact CG1-CG2 4.21Å; I2431-I2475 HydrophobicContact CG2-CG2 4.14Å; M2435-I2475 HydrophobicContact CE-CB 4.25Å; M2435-I2475 HydrophobicContact CE-CG1 4.26Å; M2435-I2475 HydrophobicContact CE-CG2 4.08Å; M2435-I2475 PolarHBondContact O-N 3.34Å; A2437-I2475 HydrophobicContact CB-CD1 4.19Å; L2440-I2475 HydrophobicContact CB-CG1 4.39Å; L2440-I2475 HydrophobicContact CD2-CD1 3.86Å; L2440-I2475 HydrophobicContact CD2-CG1 3.99Å; L2458-I2475 HydrophobicContact CD2-CD1 3.99Å; L2473-I2475 PolarHBondContact O-N 2.91Å; I2475-E2477 PolarHBondContact O-N 3.4Å; I2475-F2478 WeakPolarHBondContact O-CB 3.23Å; I2475-F2478 PolarHBondContact O-N 3.03Å; I2475-F2478 VanDerWaalsContact O-N 3.13Å; I2475-T2479 PolarHBondContact O-N 3.5Å; I2475-T2479 PolarHBondContact O-OG1 3.45Å; I2475-T2479 VanDerWaalsContact O-OG1 3.13Å
2476	A	66.3	Low	60.7	Low	21 Å²	21	74.3 Å²	74.3	17%	0.174	39%	0.39	C	S	.	.	H	α-helix	trans	-59.4	-42.7	174.8	0	0	0	0	0	113	P2433 R2474 F2478 T2479 S2480	P2433-A2476 WeakPolarHBondContact O-CB 3.39Å; R2474-A2476 PolarHBondContact O-N 2.96Å; A2476-F2478 VanDerWaalsContact C-N 3.29Å; A2476-F2478 PolarHBondContact O-N 3.18Å; A2476-T2479 PolarHBondContact O-N 3.28Å; A2476-T2479 PolarHBondContact O-OG1 3.47Å; A2476-T2479 VanDerWaalsContact O-OG1 3.06Å; A2476-S2480 WeakPolarHBondContact O-CB 3.18Å; A2476-S2480 PolarHBondContact O-N 3.03Å; A2476-S2480 PolarHBondContact O-OG 2.71Å
2477	E	62.7	Low	58.2	Low	76 Å²	76	81.4 Å²	81.4	36%	0.355	42%	0.415	S	S	.	.	H	α-helix	trans	-69.3	-28.6	175.9	-66.9	-178	-157.4	0	0	111.8	R2474 I2475 S2480 L2481	R2474-E2477 HydrophobicContact CB-CB 4.29Å; R2474-E2477 HydrophobicContact CB-CG 4.02Å; R2474-E2477 WeakPolarHBondContact CD-OE1 3.47Å; R2474-E2477 PolarHBondContact O-N 3.14Å; I2475-E2477 PolarHBondContact O-N 3.4Å; E2477-S2480 PolarHBondContact O-OG 3.14Å; E2477-L2481 VanDerWaalsContact O-CD1 3.22Å; E2477-L2481 WeakPolarHBondContact O-CD1 3.26Å
2478	F	63.5	Low	55.5	Low	9 Å²	9	83.6 Å²	83.6	4%	0.039	44%	0.437	C	S	.	.	H	α-helix	trans	-67.7	-41.3	172.5	-169.6	-83	0	0	0	111.9	V2460 L2469 L2473 R2474 I2475 A2476 W2560 P2598 L2600	V2460-F2478 HydrophobicContact CB-CE2 4.43Å; V2460-F2478 HydrophobicContact CB-CZ 4.3Å; V2460-F2478 HydrophobicContact CG1-CE2 4.18Å; V2460-F2478 HydrophobicContact CG1-CZ 3.86Å; V2460-F2478 HydrophobicContact CG2-CE1 4.33Å; V2460-F2478 HydrophobicContact CG2-CE2 3.62Å; V2460-F2478 HydrophobicContact CG2-CZ 3.43Å; V2460-F2478 VanDerWaalsContact CG2-CZ 3.43Å; L2469-F2478 HydrophobicContact CD2-CD2 3.88Å; L2469-F2478 HydrophobicContact CD2-CE2 3.88Å; L2473-F2478 HydrophobicContact CD2-CD2 4.25Å; R2474-F2478 PolarHBondContact O-N 3.47Å; I2475-F2478 WeakPolarHBondContact O-CB 3.23Å; I2475-F2478 PolarHBondContact O-N 3.03Å; I2475-F2478 VanDerWaalsContact O-N 3.13Å; A2476-F2478 VanDerWaalsContact C-N 3.29Å; A2476-F2478 PolarHBondContact O-N 3.18Å; F2478-W2560 HydrophobicContact CB-CH2 4.04Å; F2478-W2560 HydrophobicContact CB-CZ2 4.32Å; F2478-W2560 AromaticContact CD2-CH2 3.31Å; F2478-W2560 HydrophobicContact CD2-CH2 3.31Å; F2478-W2560 HydrophobicContact CD2-CZ2 4.33Å; F2478-W2560 AromaticContact CD2-CZ3 3.75Å; F2478-W2560 HydrophobicContact CD2-CZ3 3.75Å; F2478-W2560 AromaticContact CE2-CH2 3.98Å; F2478-W2560 HydrophobicContact CE2-CH2 3.98Å; F2478-W2560 HydrophobicContact CE2-CZ3 4.06Å; F2478-W2560 AromaticContact CG-CH2 3.98Å; F2478-W2560 HydrophobicContact CG-CH2 3.98Å; F2478-P2598 HydrophobicContact CE1-CB 4.13Å; F2478-P2598 HydrophobicContact CE1-CG 3.97Å; F2478-P2598 HydrophobicContact CZ-CB 3.83Å; F2478-P2598 HydrophobicContact CZ-CG 4.08Å; F2478-L2600 HydrophobicContact CD1-CD1 4.39Å; F2478-L2600 HydrophobicContact CE1-CD1 3.91Å
2479	T	58.6	Low	52.6	Low	41 Å²	41	83.2 Å²	83.2	25%	0.252	45%	0.449	S	S	.	.	H	α-helix	trans	-81.9	-27.9	-177.8	49.1	0	0	0	0	114.7	L2412 I2431 I2475 A2476 L2481 N2482	L2412-T2479 HydrophobicContact CD1-CG2 3.41Å; L2412-T2479 VanDerWaalsContact CD1-CG2 3.41Å; I2431-T2479 HydrophobicContact CD1-CG2 3.83Å; I2475-T2479 PolarHBondContact O-N 3.5Å; I2475-T2479 PolarHBondContact O-OG1 3.45Å; I2475-T2479 VanDerWaalsContact O-OG1 3.13Å; A2476-T2479 PolarHBondContact O-N 3.28Å; A2476-T2479 PolarHBondContact O-OG1 3.47Å; A2476-T2479 VanDerWaalsContact O-OG1 3.06Å; T2479-L2481 PolarHBondContact O-N 3.3Å; T2479-L2481 VanDerWaalsContact O-N 3.13Å; T2479-N2482 PolarHBondContact O-N 3.22Å; T2479-N2482 VanDerWaalsContact O-N 3.12Å
2480	S	41.9	Very low	49.7	Very low	56 Å²	56	91 Å²	91	39%	0.392	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-3.8	-173.8	61.7	0	0	0	0	115.1	A2476 E2477 S2483	A2476-S2480 WeakPolarHBondContact O-CB 3.18Å; A2476-S2480 PolarHBondContact O-N 3.03Å; A2476-S2480 PolarHBondContact O-OG 2.71Å; E2477-S2480 PolarHBondContact O-OG 3.14Å; S2480-S2483 PolarHBondContact O-OG 3.06Å
2481	L	35.8	Very low	47.2	Very low	75 Å²	75	91.1 Å²	91.1	39%	0.393	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-5.1	171.2	-75	93	0	0	0	113.7	E2477 T2479 W2561	E2477-L2481 VanDerWaalsContact O-CD1 3.22Å; E2477-L2481 WeakPolarHBondContact O-CD1 3.26Å; T2479-L2481 PolarHBondContact O-N 3.3Å; T2479-L2481 VanDerWaalsContact O-N 3.13Å; L2481-W2561 HydrophobicContact CB-CH2 4.45Å; L2481-W2561 HydrophobicContact CB-CZ2 4.01Å; L2481-W2561 HydrophobicContact CD1-CZ2 4.14Å; L2481-W2561 HydrophobicContact CD2-CD2 3.67Å; L2481-W2561 HydrophobicContact CD2-CE3 4.22Å; L2481-W2561 HydrophobicContact CD2-CG 3.96Å; L2481-W2561 HydrophobicContact CD2-CH2 4.47Å; L2481-W2561 HydrophobicContact CD2-CZ2 3.97Å; L2481-W2561 HydrophobicContact CG-CZ2 4.25Å
2482	N	33.6	Very low	44.9	Very low	110 Å²	110	95.9 Å²	95.9	59%	0.588	51%	0.513	S	S	*	.	S	Bend	trans	-100.5	2.7	175.3	-71.2	-32.7	0	0	0	113.4	T2479	T2479-N2482 PolarHBondContact O-N 3.22Å; T2479-N2482 VanDerWaalsContact O-N 3.12Å
2483	S	26.2	Very low	42.5	Very low	79 Å²	79	95 Å²	95	55%	0.552	52%	0.519	S	S	*	.	S	Bend	trans	-102.3	-23.1	179.9	48.3	0	0	0	0	114.8	S2480	S2480-S2483 PolarHBondContact O-OG 3.06Å
2484	D	25.4	Very low	40.2	Very low	132 Å²	132	99.4 Å²	99.4	71%	0.706	55%	0.547	S	S	*	.	S	Bend	trans	-105	14.9	-162.2	-65.1	23.2	0	0	0	113
2485	V	25.9	Very low	37.8	Very low	125 Å²	125	100.8 Å²	100.8	76%	0.758	57%	0.567	S	S	*	*	S	Bend	trans	-130.4	59.9	-178.9	-166.4	0	0	0	0	111.3
2486	L	23	Very low	35.4	Very low	143 Å²	143	107.1 Å²	107.1	75%	0.749	61%	0.606	S	S	*	*	S	Bend	trans	-173.5	134.1	156	-103.7	156.4	0	0	0	108.6
2487	Y	23.4	Very low	33.5	Very low	217 Å²	217	110.8 Å²	110.8	85%	0.851	63%	0.626	S	S	*	*	S	Bend	trans	61.5	116.2	-173.5	-56.6	-85.2	0	0	0	114.4
2488	S	23.8	Very low	32	Very low	117 Å²	117	111.8 Å²	111.8	82%	0.818	64%	0.638	S	S	*	*			cis	-154.3	157.9	22.6	-56.9	0	0	0	0	111.8
2489	A	23.9	Very low	30.2	Very low	80 Å²	80	117.6 Å²	117.6	66%	0.661	67%	0.667	S	S	*	*			trans	-135.8	141.6	169.7	0	0	0	0	0	111
2490	H	26.3	Very low	28.7	Very low	177 Å²	177	117.7 Å²	117.7	82%	0.819	67%	0.672	S	S	*	*			trans	68.8	146.7	-177.3	-48	-77	0	0	0	114.5
2491	I	29	Very low	28.3	Very low	150 Å²	150	120 Å²	120	77%	0.769	68%	0.683	S	S	*	*			cis	-118.2	140.1	15.9	-64.5	168.4	0	0	0	112.5
2492	L	34.6	Very low	28.3	Very low	145 Å²	145	122.8 Å²	122.8	76%	0.759	71%	0.706	S	S	*	*			trans	-127.8	147.3	156.4	-152.5	97.2	0	0	0	107	T2494	L2492-T2494 HydrophobicContact CD2-CG2 4.05Å
2493	P	30.4	Very low	27.8	Very low	119 Å²	119	122.2 Å²	122.2	77%	0.773	71%	0.71	S	S	*	*			trans	-122.3	140.7	158.5	24.9	-7.6	0	0	0	112.6
2494	T	33.5	Very low	27.7	Very low	114 Å²	114	129 Å²	129	70%	0.699	72%	0.724	S	S	*	*			trans	-115	169	-178.6	52	0	0	0	0	111.1	L2492	L2492-T2494 HydrophobicContact CD2-CG2 4.05Å
2495	T	27.4	Very low	27.6	Very low	130 Å²	130	125.6 Å²	125.6	80%	0.798	71%	0.71	S	S	*	*				-173.4	156.3	126.7	19.3	0	0	0	0	114.3
2496	T	27.6	Very low	27.6	Very low	133 Å²	133	126.4 Å²	126.4	82%	0.816	71%	0.706	S	S	*	*			trans	77.3	157.2	160.9	20.4	0	0	0	0	120.5
2497	T	28	Very low	27.7	Very low	98 Å²	98	123.4 Å²	123.4	60%	0.601	69%	0.694	S	S	*	*				-157.9	146.4	-128.2	-52.4	0	0	0	0	112.2
2498	T	29.9	Very low	27.9	Very low	97 Å²	97	115.3 Å²	115.3	60%	0.595	68%	0.676	S	S	*	*			trans	-177.6	156.5	148.1	-83.9	0	0	0	0	112.7	T2507	T2498-T2507 HydrophobicContact CG2-CG2 3.67Å; T2498-T2507 WeakPolarHBondContact OG1-CG2 3.25Å
2499	M	26.5	Very low	28.2	Very low	132 Å²	132	115 Å²	115	65%	0.65	67%	0.669	S	S	*	*			trans	-140.4	179.3	-178.3	-48.4	-171.8	-65.3	0	0	110.1	S2505 Q2506	M2499-S2505 CarbonylContact C-O 3.42Å; M2499-S2505 CarbonylContact O-C 3.6Å; M2499-Q2506 PolarHBondContact O-N 3.4Å; M2499-Q2506 VanDerWaalsContact O-N 3.1Å
2500	A	26.8	Very low	28.2	Very low	43 Å²	43	116.5 Å²	116.5	36%	0.355	67%	0.672	S	S	.	*			cis	-156	151.9	6.6	0	0	0	0	0	112.7	R2504 S2505	A2500-R2504 PolarHBondContact O-N 3.03Å; A2500-S2505 VanDerWaalsContact CB-O 3.23Å; A2500-S2505 WeakPolarHBondContact CB-O 3.26Å; A2500-S2505 PolarHBondContact N-O 3.49Å; A2500-S2505 PolarHBondContact O-N 2.88Å
2501	T	33	Very low	28.2	Very low	104 Å²	104	115.2 Å²	115.2	64%	0.638	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	54.1	160.8	152.7	57.8	0	0	0	0	121.7	S2503 R2504	T2501-S2503 CarbonylContact O-C 3.56Å; T2501-S2503 WeakPolarHBondContact O-CA 3.32Å; T2501-S2503 PolarHBondContact OG1-N 2.92Å; T2501-S2503 PolarHBondContact OG1-O 3.37Å; T2501-R2504 PolarHBondContact O-N 3.49Å
2502	P	35.6	Very low	27.9	Very low	133 Å²	133	112.9 Å²	112.9	86%	0.864	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	94.2	135.4	32.9	-26.7	0	0	0	108.3
2503	S	23	Very low	27.7	Very low	98 Å²	98	111 Å²	111	69%	0.685	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	cis	-137.2	147.7	5.4	-64.3	0	0	0	0	111.4	T2501	T2501-S2503 CarbonylContact O-C 3.56Å; T2501-S2503 WeakPolarHBondContact O-CA 3.32Å; T2501-S2503 PolarHBondContact OG1-N 2.92Å; T2501-S2503 PolarHBondContact OG1-O 3.37Å
2504	R	25.1	Very low	27.6	Very low	223 Å²	223	113.7 Å²	113.7	84%	0.842	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	68	89.3	145.4	-175.1	-168.2	-172.2	-177.9	3.5	114.3	A2500 T2501	A2500-R2504 PolarHBondContact O-N 3.03Å; T2501-R2504 PolarHBondContact O-N 3.49Å
2505	S	23.2	Very low	27.4	Very low	60 Å²	60	113.8 Å²	113.8	42%	0.42	66%	0.659	S	S	.	*				165	144.6	100.3	52.9	0	0	0	0	115.4	M2499 A2500	M2499-S2505 CarbonylContact C-O 3.42Å; M2499-S2505 CarbonylContact O-C 3.6Å; A2500-S2505 VanDerWaalsContact CB-O 3.23Å; A2500-S2505 WeakPolarHBondContact CB-O 3.26Å; A2500-S2505 PolarHBondContact N-O 3.49Å; A2500-S2505 PolarHBondContact O-N 2.88Å
2506	Q	26.4	Very low	27.3	Very low	142 Å²	142	116.1 Å²	116.1	66%	0.664	66%	0.661	S	S	*	*			trans	54.1	117.9	132.7	-68.3	168.7	-18	0	0	118.7	M2499	M2499-Q2506 PolarHBondContact O-N 3.4Å; M2499-Q2506 VanDerWaalsContact O-N 3.1Å
2507	T	24.8	Very low	27.4	Very low	80 Å²	80	117.1 Å²	117.1	49%	0.491	66%	0.656	S	S	.	*				64.3	124.3	68.4	69.8	0	0	0	0	113.9	T2498	T2498-T2507 HydrophobicContact CG2-CG2 3.67Å; T2498-T2507 WeakPolarHBondContact OG1-CG2 3.25Å
2508	G	26.9	Very low	27.5	Very low	47 Å²	47	119.7 Å²	119.7	49%	0.485	66%	0.659	S	S	.	*			trans	84.6	152.3	174.3	0	0	0	0	0	113.9
2509	T	30.4	Very low	27.3	Very low	109 Å²	109	124.6 Å²	124.6	67%	0.669	67%	0.673	S	S	*	*			cis	60.6	91.1	19	79.3	0	0	0	0	116.1
2510	P	23.9	Very low	27.7	Very low	112 Å²	112	123 Å²	123	73%	0.727	67%	0.672	S	S	*	*			trans	-81.8	138.8	136.5	33.5	-27.1	0	0	0	108.7
2511	I	25.3	Very low	27.9	Very low	151 Å²	151	130.7 Å²	130.7	77%	0.774	70%	0.698	S	S	*	*			cis	52.5	78.6	12.7	-54.5	-174.8	0	0	0	111.9
2512	S	24.3	Very low	27.7	Very low	100 Å²	100	134.7 Å²	134.7	70%	0.699	71%	0.706	S	S	*	*			trans	-46	154.7	148.2	174.1	0	0	0	0	112.1
2513	P	30.5	Very low	27.1	Very low	106 Å²	106	132.8 Å²	132.8	69%	0.688	70%	0.696	S	S	*	*			cis	-128.7	174.2	-28.3	35.3	-20.2	0	0	0	112.1
2514	K	27.5	Very low	27.6	Very low	175 Å²	175	136.7 Å²	136.7	76%	0.761	70%	0.703	S	S	*	*			trans	161.2	145.7	130.4	-91.7	178	174.8	-175.2	0	115
2515	D	29.8	Very low	27.7	Very low	117 Å²	117	133 Å²	133	63%	0.626	70%	0.698	S	S	*	*			trans	40.7	103.6	136.3	-45.1	-29.1	0	0	0	118.1
2516	H	24.5	Very low	27.9	Very low	178 Å²	178	134.8 Å²	134.8	82%	0.824	71%	0.711	S	S	*	*				64.8	111.6	84.7	-72.9	-62.8	0	0	0	115.2
2517	E	30	Very low	27.9	Very low	154 Å²	154	135.8 Å²	135.8	72%	0.72	72%	0.719	S	S	*	*				-170.2	150.5	106.2	-84.1	-133.8	113.5	0	0	113.7
2518	K	30.8	Very low	28	Very low	153 Å²	153	137.3 Å²	137.3	67%	0.665	73%	0.733	S	S	*	*			trans	10	134.6	156.1	-65.5	151.3	-173	159.7	0	120.6
2519	F	25.8	Very low	28	Very low	200 Å²	200	139 Å²	139	88%	0.877	74%	0.738	S	S	*	*				58.9	148.1	68.9	-75.7	-69.4	0	0	0	114.8
2520	P	34.9	Very low	28.2	Very low	98 Å²	98	141.5 Å²	141.5	64%	0.636	74%	0.742	S	S	*	*			cis	-125.1	-179.7	-0.5	30.3	-6.3	0	0	0	113.3
2521	F	30.4	Very low	28.4	Very low	204 Å²	204	140.3 Å²	140.3	90%	0.895	74%	0.736	S	S	*	*				-170.1	170.6	84.9	-109.2	-81.7	0	0	0	113.4
2522	K	28.3	Very low	28.7	Very low	188 Å²	188	139.3 Å²	139.3	82%	0.817	73%	0.732	S	S	*	*			trans	-117.3	138	-171.5	-99.2	-175.2	175.8	-178	0	114.3
2523	S	24.3	Very low	28.8	Very low	93 Å²	93	139.1 Å²	139.1	65%	0.65	73%	0.731	S	S	*	*			trans	30.8	114	144	62.8	0	0	0	0	122.5
2524	H	31.9	Very low	28.9	Very low	181 Å²	181	140.3 Å²	140.3	84%	0.838	74%	0.736	S	S	*	*			trans	-134	133.5	137.1	-67.5	-95.5	0	0	0	105.8
2525	I	28.6	Very low	29.1	Very low	144 Å²	144	137.6 Å²	137.6	74%	0.738	74%	0.735	S	S	*	*			cis	85.8	119.6	42.3	-63.6	177.3	0	0	0	113.5
2526	S	25.8	Very low	28.8	Very low	99 Å²	99	137.2 Å²	137.2	69%	0.692	74%	0.741	S	S	*	*			trans	63.8	126.2	175.6	-60.4	0	0	0	0	116.4
2527	I	26.2	Very low	29	Very low	162 Å²	162	134.9 Å²	134.9	83%	0.831	75%	0.745	S	S	*	*			cis	70.9	95.7	49.8	-56.1	166.8	0	0	0	112.4
2528	S	27.4	Very low	28.7	Very low	112 Å²	112	132.4 Å²	132.4	78%	0.783	74%	0.744	S	S	*	*			trans	174.5	150.8	147.1	32.8	0	0	0	0	109.8
2529	S	27	Very low	28.5	Very low	83 Å²	83	129.6 Å²	129.6	58%	0.58	74%	0.744	S	S	*	*			cis	-170.8	-173.5	-40.3	35.7	0	0	0	0	107.8
2530	H	34.4	Very low	28.5	Very low	162 Å²	162	127 Å²	127	75%	0.75	74%	0.735	S	S	*	*			trans	83.5	117.5	166.8	-57.8	-62.5	0	0	0	116.8
2531	S	29.4	Very low	28.2	Very low	87 Å²	87	129 Å²	129	61%	0.608	73%	0.734	S	S	*	*			cis	102.9	148.3	31.5	68.2	0	0	0	0	111.7
2532	D	30.3	Very low	28.1	Very low	130 Å²	130	128.8 Å²	128.8	70%	0.695	73%	0.727	S	S	*	*			cis	-152.2	136.2	-4.2	-112	-40.6	0	0	0	106.4
2533	S	27.4	Very low	28.2	Very low	96 Å²	96	124.1 Å²	124.1	67%	0.671	72%	0.718	S	S	*	*				54.9	127.4	86.2	93.9	0	0	0	0	116.2
2534	T	31.2	Very low	28.3	Very low	131 Å²	131	130.4 Å²	130.4	80%	0.804	73%	0.727	S	S	*	*			trans	-169.7	146.3	165.3	3.5	0	0	0	0	115.1
2535	T	32	Very low	28.1	Very low	118 Å²	118	127.7 Å²	127.7	72%	0.724	72%	0.723	S	S	*	*			trans	49.2	98.5	152.3	54.3	0	0	0	0	122.5
2536	S	24.4	Very low	28	Very low	108 Å²	108	127 Å²	127	76%	0.755	73%	0.726	S	S	*	*				16	130.9	115.2	61.5	0	0	0	0	121.2
2537	S	28.7	Very low	28.2	Very low	130 Å²	130	126.9 Å²	126.9	91%	0.909	73%	0.725	S	S	*	*				-174.1	165.8	122.7	41.5	0	0	0	0	111.5
2538	S	23.7	Very low	28.4	Very low	101 Å²	101	126.2 Å²	126.2	71%	0.706	72%	0.718	S	S	*	*			trans	-110.1	171.2	-176.9	61	0	0	0	0	112.5
2539	S	25.9	Very low	28.5	Very low	94 Å²	94	127.9 Å²	127.9	66%	0.657	71%	0.707	S	S	*	*			trans	43.4	129.8	141.2	63.4	0	0	0	0	119.5
2540	E	26.9	Very low	28.6	Very low	146 Å²	146	128.4 Å²	128.4	68%	0.682	71%	0.711	S	S	*	*			cis	-173.2	175	18.4	-131.9	-173.8	157.8	0	0	111.7
2541	F	27.1	Very low	28.3	Very low	141 Å²	141	122.7 Å²	122.7	62%	0.618	70%	0.696	S	S	*	*			trans	76.4	141.6	166.7	-54.2	-53.4	0	0	0	117.1
2542	R	29.4	Very low	28.6	Very low	199 Å²	199	128.2 Å²	128.2	75%	0.751	71%	0.709	S	S	*	*			cis	-159.8	155.5	2.4	-111.9	155.7	-136.6	160.1	9.8	108
2543	S	30.3	Very low	28.6	Very low	90 Å²	90	128 Å²	128	63%	0.629	72%	0.717	S	S	*	*			cis	-159.6	130.2	-1.9	-153	0	0	0	0	113.5
2544	R	27.2	Very low	28.6	Very low	224 Å²	224	130.4 Å²	130.4	85%	0.845	72%	0.723	S	S	*	*			trans	52	119.4	135.3	-65.4	-176.8	176.2	-155	-2	123.4
2545	T	26.6	Very low	28.6	Very low	124 Å²	124	134.7 Å²	134.7	76%	0.761	72%	0.724	S	S	*	*			trans	63.3	114.9	130	63.8	0	0	0	0	121.9
2546	V	27.2	Very low	28.4	Very low	130 Å²	130	135.9 Å²	135.9	79%	0.788	73%	0.726	S	S	*	*				168.1	139.6	105.4	158.3	0	0	0	0	112.1
2547	S	30	Very low	28.5	Very low	96 Å²	96	141.6 Å²	141.6	67%	0.671	73%	0.732	S	S	*	*			trans	60.6	99.1	160.6	-67.4	0	0	0	0	123.2
2548	H	30.2	Very low	28.3	Very low	149 Å²	149	139.4 Å²	139.4	69%	0.69	72%	0.721	S	S	*	*				28.3	147.9	107.4	-52.8	-43.3	0	0	0	123.3
2549	R	28.6	Very low	28.4	Very low	146 Å²	146	138.6 Å²	138.6	55%	0.551	72%	0.721	S	S	*	*			cis	-179.8	118.1	-17.9	-106.2	-172.7	147.8	-139.3	3	109.9	N2356 N2357 N2358	N2356-R2549 WeakPolarHBondContact O-CD 2.88Å; N2356-R2549 WeakPolarHBondContact O-CG 3.46Å; N2356-R2549 PolarHBondContact O-NE 3.07Å; N2356-R2549 PolarHBondContact O-NH1 3.17Å; N2357-R2549 VanDerWaalsContact C-CB 3.49Å; N2357-R2549 CarbonylContact C-O 3.58Å; N2357-R2549 PolarHBondContact N-O 2.6Å; N2357-R2549 WeakPolarHBondContact O-CD 3.3Å; N2357-R2549 PolarHBondContact O-NH1 3.22Å; N2358-R2549 PolarHBondContact N-O 2.97Å
2550	S	29.5	Very low	28.5	Very low	94 Å²	94	138.2 Å²	138.2	66%	0.657	71%	0.705	S	S	*	*			trans	-166	164.2	167.4	-74.7	0	0	0	0	113.3
2551	G	29.3	Very low	28.4	Very low	43 Å²	43	135.2 Å²	135.2	44%	0.443	69%	0.687	S	S	.	*			cis	163	121.1	-24.1	0	0	0	0	0	119.5	N2356 N2357	N2356-G2551 VanDerWaalsContact OD1-CA 3.3Å; N2356-G2551 WeakPolarHBondContact OD1-CA 3.47Å; N2356-G2551 PolarHBondContact OD1-N 3.28Å; N2357-G2551 WeakPolarHBondContact OD1-CA 3.29Å
2552	K	36	Very low	28.6	Very low	202 Å²	202	134.1 Å²	134.1	88%	0.878	69%	0.693	S	S	*	*			trans	-164.2	163	170.7	-70.1	-172.9	-176.5	172.5	0	114
2553	S	30	Very low	28.4	Very low	125 Å²	125	132.7 Å²	132.7	87%	0.874	70%	0.696	S	S	*	*			trans	-169.4	164.6	140.2	-158.5	0	0	0	0	114.5
2554	N	27.3	Very low	28.2	Very low	148 Å²	148	131.5 Å²	131.5	79%	0.791	69%	0.687	S	S	*	*			trans	-165.5	168.5	176.7	-169.1	7.7	0	0	0	110.9
2555	R	30.7	Very low	28.2	Very low	220 Å²	220	129.6 Å²	129.6	83%	0.83	69%	0.685	S	S	*	*			trans	81.1	149.9	-169.8	-60.9	176.5	172.4	173.3	-3.6	113.6
2556	N	28.5	Very low	28.1	Very low	143 Å²	143	128 Å²	128	77%	0.765	68%	0.679	S	S	*	*			cis	-158.8	177.3	-8.8	-96.6	-5.8	0	0	0	105.7
2557	R	25	Very low	27.9	Very low	229 Å²	229	130.4 Å²	130.4	86%	0.864	69%	0.687	S	S	*	*			cis	167.4	117.3	-35.2	-173.4	-176.2	-161	-137.8	4.9	105.6
2558	A	24.1	Very low	27.7	Very low	83 Å²	83	129.1 Å²	129.1	69%	0.686	69%	0.69	S	S	*	*			trans	55.4	113.4	167.1	0	0	0	0	0	120.4
2559	A	26.1	Very low	27.6	Very low	85 Å²	85	131 Å²	131	70%	0.702	70%	0.698	S	S	*	*			trans	-145.4	-9	167	0	0	0	0	0	115.7	W2561 T2562	A2559-W2561 PolarHBondContact O-N 3.26Å; A2559-T2562 PolarHBondContact O-OG1 2.58Å
2560	W	28.3	Very low	27.5	Very low	86 Å²	86	128.8 Å²	128.8	33%	0.326	71%	0.706	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.7	-4.4	-160	68.8	-85.1	0	0	0	116.7	L2473 F2478	L2473-W2560 HydrophobicContact CD1-CD2 4.01Å; L2473-W2560 HydrophobicContact CD1-CG 4.12Å; L2473-W2560 HydrophobicContact CD2-CH2 4.29Å; L2473-W2560 HydrophobicContact CD2-CZ2 4.34Å; L2473-W2560 HydrophobicContact CD2-CZ3 4.36Å; F2478-W2560 HydrophobicContact CB-CH2 4.04Å; F2478-W2560 HydrophobicContact CB-CZ2 4.32Å; F2478-W2560 AromaticContact CD2-CH2 3.31Å; F2478-W2560 HydrophobicContact CD2-CH2 3.31Å; F2478-W2560 HydrophobicContact CD2-CZ2 4.33Å; F2478-W2560 AromaticContact CD2-CZ3 3.75Å; F2478-W2560 HydrophobicContact CD2-CZ3 3.75Å; F2478-W2560 AromaticContact CE2-CH2 3.98Å; F2478-W2560 HydrophobicContact CE2-CH2 3.98Å; F2478-W2560 HydrophobicContact CE2-CZ3 4.06Å; F2478-W2560 AromaticContact CG-CH2 3.98Å; F2478-W2560 HydrophobicContact CG-CH2 3.98Å
2561	W	26.1	Very low	27.3	Very low	82 Å²	82	134 Å²	134	31%	0.311	72%	0.716	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.1	-11.1	-178	-86.6	86.5	0	0	0	115.5	L2481 A2559 M2563 C2564	L2481-W2561 HydrophobicContact CB-CH2 4.45Å; L2481-W2561 HydrophobicContact CB-CZ2 4.01Å; L2481-W2561 HydrophobicContact CD1-CZ2 4.14Å; L2481-W2561 HydrophobicContact CD2-CD2 3.67Å; L2481-W2561 HydrophobicContact CD2-CE3 4.22Å; L2481-W2561 HydrophobicContact CD2-CG 3.96Å; L2481-W2561 HydrophobicContact CD2-CH2 4.47Å; L2481-W2561 HydrophobicContact CD2-CZ2 3.97Å; L2481-W2561 HydrophobicContact CG-CZ2 4.25Å; A2559-W2561 PolarHBondContact O-N 3.26Å; W2561-M2563 VanDerWaalsContact C-N 3.28Å; W2561-M2563 PolarHBondContact O-N 3.38Å; W2561-C2564 PolarHBondContact O-N 3.26Å
2562	T	30.7	Very low	27.2	Very low	119 Å²	119	140.3 Å²	140.3	73%	0.73	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	-15.5	-169	-33	0	0	0	0	113.9	A2559	A2559-T2562 PolarHBondContact O-OG1 2.58Å
2563	M	24.6	Very low	26.8	Very low	168 Å²	168	138 Å²	138	83%	0.828	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	-12	-179.1	-77.1	-70	176.4	0	0	114.8	W2561	W2561-M2563 VanDerWaalsContact C-N 3.28Å; W2561-M2563 PolarHBondContact O-N 3.38Å
2564	C	27	Very low	26.5	Very low	65 Å²	65	139.9 Å²	139.9	44%	0.439	73%	0.726	S	S	.	*	S	Bend	trans	-96	11	-178.5	-68.7	0	0	0	0	114	W2561	W2561-C2564 PolarHBondContact O-N 3.26Å
2565	K	25.8	Very low	26.5	Very low	185 Å²	185	138.5 Å²	138.5	80%	0.804	72%	0.722	S	S	*	*			trans	-127.2	65.3	177.5	-78.1	-166	172.4	-172.6	0	112.1
2566	S	24.3	Very low	26.3	Very low	89 Å²	89	133.6 Å²	133.6	62%	0.622	72%	0.717	S	S	*	*			trans	-152.2	55	175.1	51.9	0	0	0	0	113.9
2567	N	24.4	Very low	26.2	Very low	181 Å²	181	132 Å²	132	97%	0.968	72%	0.715	S	S	*	*	S	Bend	trans	-150	93.3	155.1	-103.2	-37.7	0	0	0	109.9
2568	G	25.9	Very low	26.3	Very low	70 Å²	70	127.4 Å²	127.4	72%	0.722	71%	0.711	S	S	*	*	S	Bend	trans	153.6	100.7	-176.2	0	0	0	0	0	110.7
2569	Q	26.8	Very low	26.4	Very low	187 Å²	187	131.7 Å²	131.7	87%	0.874	72%	0.717	S	S	*	*			trans	63.2	114.7	176.2	-62.6	177.8	-4.1	0	0	114.7
2570	S	26.2	Very low	26.4	Very low	101 Å²	101	135.3 Å²	135.3	71%	0.706	73%	0.725	S	S	*	*				79.5	108.8	54.8	78.6	0	0	0	0	114.6
2571	K	26	Very low	26.3	Very low	202 Å²	202	136.2 Å²	136.2	88%	0.878	74%	0.744	S	S	*	*			trans	62.4	107.4	163.9	-63.6	-176	178.2	179.7	0	118.3
2572	H	26.5	Very low	26.4	Very low	177 Å²	177	135.8 Å²	135.8	82%	0.819	76%	0.758	S	S	*	*				27.7	140.7	125.1	-88	-86.8	0	0	0	122.1
2573	Q	28.1	Very low	26.2	Very low	152 Å²	152	138.9 Å²	138.9	71%	0.71	76%	0.762	S	S	*	*			trans	70.3	83.3	152.6	-112.1	67.9	14.9	0	0	118.5	V2575	Q2573-V2575 PolarHBondContact O-N 3.2Å
2574	L	23.4	Very low	26.4	Very low	165 Å²	165	139.1 Å²	139.1	86%	0.864	76%	0.758	S	S	*	*			trans	-56.9	123.3	146.9	-118.3	156.8	0	0	0	110.6
2575	V	27.4	Very low	26.5	Very low	119 Å²	119	142.7 Å²	142.7	72%	0.721	77%	0.773	S	S	*	*			trans	-139.4	96.9	154.8	-175.9	0	0	0	0	110	Q2573	Q2573-V2575 PolarHBondContact O-N 3.2Å
2576	V	27.2	Very low	26.7	Very low	117 Å²	117	138.8 Å²	138.8	71%	0.709	77%	0.765	S	S	*	*			trans	53.2	120.2	150	-172.2	0	0	0	0	119.7
2577	P	27.3	Very low	26.9	Very low	111 Å²	111	139.7 Å²	139.7	72%	0.721	77%	0.771	S	S	*	*			trans	-93.5	163.4	169.6	38.5	-34.6	0	0	0	113.4
2578	V	26.7	Very low	26.9	Very low	131 Å²	131	138 Å²	138	79%	0.794	76%	0.757	S	S	*	*			trans	-136.9	150.4	155.2	-174	0	0	0	0	108.3
2579	Q	25	Very low	26.8	Very low	174 Å²	174	146.1 Å²	146.1	81%	0.813	77%	0.768	S	S	*	*			trans	-78.6	163.1	-178.9	-62.6	152.4	-82	0	0	109.9
2580	D	26.4	Very low	26.8	Very low	160 Å²	160	143.9 Å²	143.9	86%	0.856	76%	0.757	S	S	*	*				-148.6	173	77.5	-112	-37.1	0	0	0	117.1
2581	S	27.5	Very low	26.7	Very low	105 Å²	105	147.5 Å²	147.5	73%	0.734	76%	0.763	S	S	*	*			trans	-84.7	170.3	-168.9	55	0	0	0	0	115.4
2582	A	27.2	Very low	26.8	Very low	74 Å²	74	145.3 Å²	145.3	61%	0.612	76%	0.761	S	S	*	*			cis	-177.7	175.7	-29	0	0	0	0	0	110
2583	F	26.7	Very low	26.8	Very low	184 Å²	184	142.1 Å²	142.1	81%	0.807	76%	0.758	S	S	*	*			trans	75.8	137.9	167.1	-61	-71.5	0	0	0	117.5
2584	K	29.6	Very low	26.9	Very low	172 Å²	172	137.3 Å²	137.3	75%	0.748	75%	0.75	S	S	*	*			cis	-146.2	154.6	2.9	-151.8	155.5	-175.7	-177.1	0	113.5
2585	N	28.8	Very low	27.4	Very low	140 Å²	140	137.4 Å²	137.4	75%	0.749	75%	0.751	S	S	*	*			trans	-77.3	168.4	-176.3	-48.8	-7.7	0	0	0	111
2586	T	28.7	Very low	28.3	Very low	103 Å²	103	135.9 Å²	135.9	63%	0.632	74%	0.735	S	S	*	*				-173.6	161.6	64	37.7	0	0	0	0	109.6
2587	S	28.8	Very low	29.7	Very low	109 Å²	109	135.5 Å²	135.5	76%	0.762	72%	0.724	S	S	*	*			cis	-161.4	143.1	-10.2	43.7	0	0	0	0	109.6
2588	E	25.4	Very low	31.6	Very low	144 Å²	144	131.4 Å²	131.4	67%	0.673	70%	0.697	S	S	*	*			trans	-83.8	152.3	175.2	-59.8	161.7	141.1	0	0	112.1
2589	Y	24.1	Very low	34	Very low	241 Å²	241	126 Å²	126	95%	0.945	67%	0.665	S	S	*	*			trans	-94.6	85.8	151	-94.7	-78.8	0	0	0	108.5
2590	H	25.9	Very low	36.9	Very low	141 Å²	141	118 Å²	118	65%	0.653	63%	0.628	S	S	*	*			trans	-75.1	145.5	174	-155	-66.1	0	0	0	110.4	N2592	H2590-N2592 PolarHBondContact O-N 3.37Å
2591	E	24.8	Very low	39.7	Very low	176 Å²	176	110.5 Å²	110.5	82%	0.822	59%	0.587	S	S	*	*			trans	-60	135	-177.4	-64.4	-171.3	120.7	0	0	112.6	S2593	E2591-S2593 PolarHBondContact O-N 3.31Å; E2591-S2593 VanDerWaalsContact O-N 3.13Å
2592	N	26.9	Very low	42.7	Very low	157 Å²	157	105.6 Å²	105.6	84%	0.84	55%	0.553	S	S	*	*			trans	-77.3	98	177.5	-87.5	-86.4	0	0	0	110.8	H2590 G2594	H2590-N2592 PolarHBondContact O-N 3.37Å; N2592-G2594 PolarHBondContact O-N 3.03Å
2593	S	26.5	Very low	45.4	Very low	109 Å²	109	102.6 Å²	102.6	76%	0.762	53%	0.526	S	S	*	.			trans	-67.4	83.3	159.3	48.3	0	0	0	0	109.6	E2591 L2595	E2591-S2593 PolarHBondContact O-N 3.31Å; E2591-S2593 VanDerWaalsContact O-N 3.13Å; S2593-L2595 PolarHBondContact O-N 3.07Å
2594	G	30.4	Very low	47.9	Very low	52 Å²	52	94.9 Å²	94.9	54%	0.536	49%	0.492	S	S	.	.			trans	-60	109.5	-171	0	0	0	0	0	113.3	N2592 H2596	N2592-G2594 PolarHBondContact O-N 3.03Å; G2594-H2596 PolarHBondContact O-CD2 3.15Å; G2594-H2596 PolarHBondContact O-N 3.24Å
2595	L	33.8	Very low	50.1	Low	167 Å²	167	90.2 Å²	90.2	87%	0.874	47%	0.471	S	S	*	.			trans	-62.6	104.9	164.2	-87.9	73.6	0	0	0	108.6	S2593 K2597	S2593-L2595 PolarHBondContact O-N 3.07Å; L2595-K2597 PolarHBondContact O-N 3.12Å; L2595-K2597 VanDerWaalsContact O-N 3.08Å
2596	H	47.7	Very low	52	Low	87 Å²	87	87 Å²	87	40%	0.403	46%	0.459	S	S	.	.			trans	-62.3	113.8	171.4	-73.2	-102.6	0	0	0	108.7	G2594 L2616	G2594-H2596 PolarHBondContact O-CD2 3.15Å; G2594-H2596 PolarHBondContact O-N 3.24Å; H2596-L2616 PolarHBondContact CE1-O 3.31Å; H2596-L2616 PolarHBondContact ND1-O 3.2Å
2597	K	55.9	Low	53.8	Low	108 Å²	108	84 Å²	84	47%	0.47	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-52.6	129.7	172.1	-70.1	177.6	-179.7	170.1	0	108.6	L2595 V2599	L2595-K2597 PolarHBondContact O-N 3.12Å; L2595-K2597 VanDerWaalsContact O-N 3.08Å; K2597-V2599 WeakPolarHBondContact O-CG2 2.99Å; K2597-V2599 PolarHBondContact O-N 3.2Å
2598	P	66.7	Low	56	Low	25 Å²	25	84.1 Å²	84.1	16%	0.162	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-61.4	120.8	180	23.4	-32.9	0	0	0	110.4	V2460 I2462 F2478	V2460-P2598 HydrophobicContact CG1-CB 4.09Å; I2462-P2598 HydrophobicContact CD1-CB 4.17Å; I2462-P2598 HydrophobicContact CG1-CB 3.8Å; F2478-P2598 HydrophobicContact CE1-CB 4.13Å; F2478-P2598 HydrophobicContact CE1-CG 3.97Å; F2478-P2598 HydrophobicContact CZ-CB 3.83Å; F2478-P2598 HydrophobicContact CZ-CG 4.08Å
2599	V	76.7	Confident	58.8	Low	18 Å²	18	78 Å²	78	11%	0.109	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	117.4	-177.1	-167.7	0	0	0	0	109	L2415 V2460 Y2461 K2597 V2601 L2620	L2415-V2599 HydrophobicContact CD1-CG1 3.55Å; L2415-V2599 HydrophobicContact CG-CG1 3.98Å; V2460-V2599 WeakPolarHBondContact CA-O 2.62Å; Y2461-V2599 PolarHBondContact N-O 3.09Å; Y2461-V2599 PolarHBondContact O-N 3.45Å; K2597-V2599 WeakPolarHBondContact O-CG2 2.99Å; K2597-V2599 PolarHBondContact O-N 3.2Å; V2599-V2601 HydrophobicContact CG1-CG2 4.46Å; V2599-L2620 HydrophobicContact CG1-CD1 4.48Å; V2599-L2620 HydrophobicContact CG2-CD1 3.91Å
2600	L	85.9	Confident	61.5	Low	7 Å²	7	66.8 Å²	66.8	4%	0.037	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	129	171.4	-72.4	102.7	0	0	0	110.6	L2412 V2414 L2415 L2458 F2459 V2460 L2469 F2478	L2412-L2600 HydrophobicContact CD1-CD1 3.9Å; L2412-L2600 HydrophobicContact CD2-CD1 4.04Å; L2412-L2600 HydrophobicContact CD2-CD2 3.87Å; L2412-L2600 HydrophobicContact CG-CD1 4.11Å; V2414-L2600 HydrophobicContact CB-CB 4.5Å; V2414-L2600 HydrophobicContact CG1-CB 4.25Å; V2414-L2600 HydrophobicContact CG2-CB 4.19Å; L2415-L2600 PolarHBondContact N-O 3.13Å; L2458-L2600 HydrophobicContact CD2-CD2 3.61Å; L2458-L2600 HydrophobicContact CG-CD2 3.92Å; F2459-L2600 CarbonylContact O-C 3.45Å; F2459-L2600 VanDerWaalsContact O-CA 3.32Å; F2459-L2600 WeakPolarHBondContact O-CA 3.02Å; V2460-L2600 HydrophobicContact CG2-CD2 4.32Å; V2460-L2600 HydrophobicContact CG2-CG 3.95Å; L2469-L2600 HydrophobicContact CD1-CD2 3.69Å; F2478-L2600 HydrophobicContact CD1-CD1 4.39Å; F2478-L2600 HydrophobicContact CE1-CD1 3.91Å
2601	V	86.7	Confident	64.2	Low	1 Å²	1	60.4 Å²	60.4	1%	0.006	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	118.3	175.9	-179.1	0	0	0	0	109.3	L2415 M2417 L2424 F2459 Y2461 V2599 K2603 L2611	L2415-V2601 HydrophobicContact CB-CG2 4.37Å; L2415-V2601 CarbonylContact O-C 3.47Å; L2415-V2601 VanDerWaalsContact O-CA 3.26Å; L2415-V2601 WeakPolarHBondContact O-CA 3.33Å; M2417-V2601 HydrophobicContact CG-CG1 4.33Å; M2417-V2601 HydrophobicContact SD-CG1 4.24Å; L2424-V2601 HydrophobicContact CD2-CG1 4.01Å; F2459-V2601 PolarHBondContact N-O 2.94Å; F2459-V2601 PolarHBondContact O-N 2.9Å; Y2461-V2601 HydrophobicContact CD2-CB 4.2Å; Y2461-V2601 HydrophobicContact CD2-CG2 3.6Å; Y2461-V2601 HydrophobicContact CE2-CB 4.14Å; Y2461-V2601 HydrophobicContact CE2-CG2 3.84Å; V2599-V2601 HydrophobicContact CG1-CG2 4.46Å; V2601-K2603 HydrophobicContact CG1-CB 4.35Å; V2601-L2611 HydrophobicContact CG2-CD1 4.19Å
2602	Y	89.1	Confident	66.9	Low	3 Å²	3	52 Å²	52	1%	0.012	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	118.6	167.5	-179.8	-86.1	0	0	0	109.1	L2415 V2416 M2417 N2441 I2444 A2445 F2456 L2458	L2415-Y2602 PolarHBondContact O-N 3.49Å; V2416-Y2602 HydrophobicContact CG1-CD1 3.81Å; V2416-Y2602 HydrophobicContact CG1-CG 4.42Å; M2417-Y2602 PolarHBondContact N-O 2.94Å; N2441-Y2602 HydrophobicContact CB-CE2 4.48Å; N2441-Y2602 WeakPolarHBondContact OD1-CD2 3.24Å; N2441-Y2602 VanDerWaalsContact OD1-CE2 3.24Å; N2441-Y2602 WeakPolarHBondContact OD1-CE2 3.14Å; I2444-Y2602 HydrophobicContact CB-CD2 3.86Å; I2444-Y2602 HydrophobicContact CB-CE2 3.79Å; I2444-Y2602 HydrophobicContact CB-CG 4.32Å; I2444-Y2602 HydrophobicContact CD1-CD2 3.71Å; I2444-Y2602 HydrophobicContact CD1-CE2 4.39Å; I2444-Y2602 HydrophobicContact CD1-CG 4.21Å; I2444-Y2602 HydrophobicContact CG1-CD2 4.4Å; I2444-Y2602 HydrophobicContact CG2-CD1 3.7Å; I2444-Y2602 HydrophobicContact CG2-CD2 3.64Å; I2444-Y2602 HydrophobicContact CG2-CE1 3.81Å; I2444-Y2602 HydrophobicContact CG2-CE2 3.75Å; I2444-Y2602 HydrophobicContact CG2-CG 3.59Å; A2445-Y2602 WeakPolarHBondContact CA-OH 2.22Å; A2445-Y2602 WeakPolarHBondContact CB-OH 3.09Å; F2456-Y2602 HydrophobicContact CB-CE1 3.84Å; F2456-Y2602 HydrophobicContact CB-CE2 3.94Å; F2456-Y2602 VanDerWaalsContact CB-CZ 3.42Å; F2456-Y2602 VanDerWaalsContact CB-OH 3.25Å; F2456-Y2602 WeakPolarHBondContact CB-OH 2.23Å; F2456-Y2602 HydrophobicContact CD1-CD1 4.22Å; F2456-Y2602 AromaticContact CD1-CE1 3.51Å; F2456-Y2602 HydrophobicContact CD1-CE1 3.51Å; F2456-Y2602 HydrophobicContact CE1-CE1 4.34Å; F2456-Y2602 AromaticContact CG-CE1 3.84Å; F2456-Y2602 HydrophobicContact CG-CE1 3.84Å; F2456-Y2602 AromaticContact CG-CZ 3.83Å; L2458-Y2602 HydrophobicContact CD1-CD2 4.02Å
2603	K	84.9	Confident	69.1	Low	11 Å²	11	47.5 Å²	47.5	5%	0.048	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	175.8	179.4	72.2	168.7	-159.1	-169.3	0	111.8	M2417 F2456 G2457 F2459 E2466 V2601 F2609	M2417-K2603 HydrophobicContact CB-CB 4.38Å; M2417-K2603 HydrophobicContact CE-CB 3.96Å; M2417-K2603 HydrophobicContact CG-CB 4.17Å; M2417-K2603 HydrophobicContact SD-CB 3.34Å; M2417-K2603 WeakPolarHBondContact SD-CB 2.25Å; M2417-K2603 HydrophobicContact SD-CD 4.03Å; M2417-K2603 HydrophobicContact SD-CG 4.28Å; F2456-K2603 CarbonylContact C-O 3.52Å; F2456-K2603 WeakPolarHBondContact CA-O 2.23Å; G2457-K2603 PolarHBondContact N-O 3.17Å; G2457-K2603 PolarHBondContact O-N 2.88Å; G2457-K2603 VanDerWaalsContact O-N 3.1Å; F2459-K2603 HydrophobicContact CD2-CD 4.14Å; F2459-K2603 HydrophobicContact CD2-CG 3.45Å; F2459-K2603 VanDerWaalsContact CD2-CG 3.45Å; F2459-K2603 HydrophobicContact CE2-CD 4.23Å; F2459-K2603 HydrophobicContact CE2-CG 3.51Å; F2459-K2603 HydrophobicContact CG-CG 4.3Å; F2459-K2603 HydrophobicContact CZ-CG 4.4Å; E2466-K2603 WeakPolarHBondContact OE1-CE 3.39Å; E2466-K2603 IonicContact OE1-NZ 3.65Å; E2466-K2603 PolarHBondContact OE1-NZ 2.79Å; E2466-K2603 IonicContact OE2-NZ 2.83Å; E2466-K2603 PolarHBondContact OE2-NZ 3.07Å; V2601-K2603 HydrophobicContact CG1-CB 4.35Å; K2603-F2609 HydrophobicContact CD-CD2 3.92Å; K2603-F2609 HydrophobicContact CD-CG 4.49Å
2604	R	77.9	Confident	71.4	Confident	22 Å²	22	48.6 Å²	48.6	8%	0.083	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	137.5	173	-133	172.4	-165.2	155.3	-11	111.7	Q2163 E2419 D2455 F2456 S2606 F2609	Q2163-R2604 VanDerWaalsContact NE2-NH1 3.18Å; Q2163-R2604 VanDerWaalsContact OE1-CZ 3.31Å; E2419-R2604 IonicContact OE1-CZ 2.81Å; E2419-R2604 IonicContact OE1-NH1 2.76Å; E2419-R2604 PolarHBondContact OE1-NH1 2.98Å; E2419-R2604 IonicContact OE2-NH1 3.19Å; E2419-R2604 PolarHBondContact OE2-NH1 3.27Å; D2455-R2604 CarbonylContact O-C 3.56Å; D2455-R2604 WeakPolarHBondContact O-CA 3.38Å; D2455-R2604 VanDerWaalsContact O-CG 3.22Å; D2455-R2604 WeakPolarHBondContact O-CG 3.11Å; F2456-R2604 HydrophobicContact CD1-CB 4.31Å; F2456-R2604 HydrophobicContact CD1-CG 4.25Å; F2456-R2604 HydrophobicContact CE1-CB 4.15Å; F2456-R2604 HydrophobicContact CE1-CG 3.96Å; F2456-R2604 HydrophobicContact CE2-CG 4.29Å; F2456-R2604 HydrophobicContact CZ-CG 3.98Å; R2604-S2606 VanDerWaalsContact C-N 3.28Å; R2604-F2609 HydrophobicContact CB-CE2 3.89Å; R2604-F2609 HydrophobicContact CB-CZ 3.82Å
2605	K	77.2	Confident	73.2	Confident	74 Å²	74	46.6 Å²	46.6	32%	0.322	23%	0.234	S	C	.	.	S	Bend	trans	-69.9	-28.3	170.5	-68.5	178.3	177.3	166.8	0	111.5	D2455 F2456 G2457 F2459 D2471	D2455-K2605 PolarHBondContact O-N 3.33Å; F2456-K2605 VanDerWaalsContact O-CE 3.24Å; F2456-K2605 WeakPolarHBondContact O-CE 3.48Å; G2457-K2605 VanDerWaalsContact CA-CE 3.5Å; F2459-K2605 HydrophobicContact CE2-CG 4.41Å; F2459-K2605 HydrophobicContact CZ-CG 4.25Å; D2471-K2605 IonicContact OD1-NZ 2.78Å; D2471-K2605 PolarHBondContact OD1-NZ 3.1Å
2606	S	68.1	Low	74.5	Confident	71 Å²	71	40.6 Å²	40.6	50%	0.497	20%	0.203	S	C	.	.	S	Bend	trans	-100.4	107	176.4	46.7	0	0	0	0	111.6	R2604	R2604-S2606 VanDerWaalsContact C-N 3.28Å
2607	G	67.4	Low	74.3	Confident	40 Å²	40	39.5 Å²	39.5	41%	0.412	22%	0.215	S	C	.	.	S	Bend	trans	147.1	148.8	175.1	0	0	0	0	0	112.2	F2609	G2607-F2609 VanDerWaalsContact O-CD2 3.3Å; G2607-F2609 WeakPolarHBondContact O-CD2 3.37Å
2608	Y	74.6	Confident	73.6	Confident	113 Å²	113	36.6 Å²	36.6	44%	0.443	21%	0.208	S	C	.	.			trans	-97.5	108.3	173.8	-141.3	-87.9	0	0	0	108.4	W1061 L1953 V1979	W1061-Y2608 HydrophobicContact CH2-CE2 4.47Å; W1061-Y2608 WeakPolarHBondContact CZ3-OH 3.44Å; L1953-Y2608 HydrophobicContact CD2-CG 4.07Å; V1979-Y2608 WeakPolarHBondContact CB-O 3.03Å; V1979-Y2608 PolarHBondContact N-O 3.35Å
2609	F	83.2	Confident	72.1	Confident	14 Å²	14	37.3 Å²	37.3	6%	0.061	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	139	-172.7	-58.7	-79.9	0	0	0	110.4	Y1976 V1977 N1978 M2417 K2603 R2604 G2607	Y1976-F2609 HydrophobicContact CD2-CD1 4.39Å; Y1976-F2609 HydrophobicContact CE2-CD1 4.4Å; V1977-F2609 WeakPolarHBondContact O-CA 3.48Å; N1978-F2609 HydrophobicContact CB-CD1 3.86Å; N1978-F2609 HydrophobicContact CB-CE1 3.81Å; N1978-F2609 WeakPolarHBondContact ND2-CE1 3.18Å; M2417-F2609 HydrophobicContact CE-CB 4.2Å; M2417-F2609 HydrophobicContact CE-CD1 3.33Å; M2417-F2609 HydrophobicContact CE-CD2 4.29Å; M2417-F2609 HydrophobicContact CE-CE1 3.59Å; M2417-F2609 HydrophobicContact CE-CG 3.7Å; M2417-F2609 HydrophobicContact CE-CZ 4.19Å; K2603-F2609 HydrophobicContact CD-CD2 3.92Å; K2603-F2609 HydrophobicContact CD-CG 4.49Å; R2604-F2609 HydrophobicContact CB-CE2 3.89Å; R2604-F2609 HydrophobicContact CB-CZ 3.82Å; G2607-F2609 VanDerWaalsContact O-CD2 3.3Å; G2607-F2609 WeakPolarHBondContact O-CD2 3.37Å
2610	A	81.2	Confident	70.5	Confident	7 Å²	7	38.1 Å²	38.1	6%	0.058	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	122.2	173.2	0	0	0	0	0	109.8	V1964 K1968 Y1976 V1977 V1979	V1964-A2610 HydrophobicContact CG1-CB 3.54Å; K1968-A2610 HydrophobicContact CD-CB 4.12Å; K1968-A2610 HydrophobicContact CG-CB 3.85Å; Y1976-A2610 CarbonylContact C-O 3.58Å; Y1976-A2610 WeakPolarHBondContact CA-O 3.31Å; V1977-A2610 HydrophobicContact CG1-CB 3.81Å; V1977-A2610 PolarHBondContact N-O 2.93Å; V1977-A2610 PolarHBondContact O-N 3.48Å; V1979-A2610 HydrophobicContact CG2-CB 4.48Å
2611	L	83.3	Confident	68.1	Low	6 Å²	6	46 Å²	46	3%	0.031	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	152.1	174.7	-47	-172.8	0	0	0	109.9	K1968 M2417 L2424 Y2461 V2601 D2613 L2615	K1968-L2611 PolarHBondContact NZ-O 2.82Å; M2417-L2611 HydrophobicContact SD-CD2 4.13Å; L2424-L2611 HydrophobicContact CD1-CD1 4.37Å; L2424-L2611 HydrophobicContact CD1-CD2 4.28Å; Y2461-L2611 HydrophobicContact CD2-CD1 4.15Å; Y2461-L2611 HydrophobicContact CE1-CD1 4.05Å; Y2461-L2611 HydrophobicContact CE2-CD1 3.55Å; Y2461-L2611 HydrophobicContact CE2-CG 4.49Å; Y2461-L2611 VanDerWaalsContact CZ-CD1 3.48Å; V2601-L2611 HydrophobicContact CG2-CD1 4.19Å; L2611-D2613 PolarHBondContact O-N 2.75Å; L2611-L2615 HydrophobicContact CB-CD2 4.34Å; L2611-L2615 HydrophobicContact CD1-CD2 3.85Å
2612	S	82	Confident	65.4	Low	1 Å²	1	53.6 Å²	53.6	1%	0.007	29%	0.291	C	S	.	.			trans	-53.2	135.9	171.7	-175.1	0	0	0	0	111.4	K1968 L1971 N1972 G1975 R2614 L2615	K1968-S2612 PolarHBondContact O-OG 3.43Å; L1971-S2612 PolarHBondContact O-OG 3.11Å; N1972-S2612 WeakPolarHBondContact O-CB 3.05Å; N1972-S2612 PolarHBondContact O-OG 3.21Å; G1975-S2612 PolarHBondContact O-N 2.97Å; S2612-R2614 PolarHBondContact O-N 3.1Å; S2612-R2614 WeakPolarHBondContact OG-CB 3.32Å; S2612-R2614 PolarHBondContact OG-N 3.15Å; S2612-L2615 WeakPolarHBondContact O-CB 3.2Å; S2612-L2615 PolarHBondContact O-N 3.42Å
2613	D	72.6	Confident	62.9	Low	62 Å²	62	55 Å²	55	33%	0.332	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-22	175.7	-65.3	-36.9	0	0	0	111.6	K1968 L2611 L2615 L2616 G2617	K1968-D2613 WeakPolarHBondContact CB-OD2 3.22Å; K1968-D2613 IonicContact NZ-OD1 2.79Å; K1968-D2613 PolarHBondContact NZ-OD1 2.22Å; K1968-D2613 PolarHBondContact O-N 2.2Å; L2611-D2613 PolarHBondContact O-N 2.75Å; D2613-L2615 VanDerWaalsContact C-N 3.33Å; D2613-L2615 PolarHBondContact O-N 2.21Å; D2613-L2616 PolarHBondContact O-N 2.21Å; D2613-G2617 PolarHBondContact O-N 2.89Å
2614	R	74.8	Confident	60.2	Low	131 Å²	131	60 Å²	60	49%	0.494	32%	0.321	S	S	.	.	H	α-helix	trans	-62.1	-39.9	176.9	-56.9	179.3	-163.9	-156.7	5.4	111.6	K1969 L1971 E1973 S2612 L2616 G2617 S2618	K1969-R2614 PolarHBondContact O-NE 3.3Å; K1969-R2614 PolarHBondContact O-NH2 3.34Å; L1971-R2614 PolarHBondContact O-NE 3.12Å; E1973-R2614 HydrophobicContact CB-CB 4.45Å; E1973-R2614 HydrophobicContact CG-CB 4.37Å; S2612-R2614 PolarHBondContact O-N 3.1Å; S2612-R2614 WeakPolarHBondContact OG-CB 3.32Å; S2612-R2614 PolarHBondContact OG-N 3.15Å; R2614-L2616 PolarHBondContact O-N 3.5Å; R2614-L2616 VanDerWaalsContact O-N 3.1Å; R2614-G2617 PolarHBondContact O-N 3Å; R2614-S2618 PolarHBondContact O-N 3.39Å; R2614-S2618 PolarHBondContact O-OG 3.05Å
2615	L	68.6	Low	57.8	Low	11 Å²	11	64.8 Å²	64.8	6%	0.058	35%	0.345	C	S	.	.	H	α-helix	trans	-54.6	-29.1	177	-164.9	84.8	0	0	0	113.4	E1973 F1974 L2415 L2424 L2611 S2612 D2613	E1973-L2615 WeakPolarHBondContact O-CB 3.39Å; E1973-L2615 VanDerWaalsContact O-CD1 3.31Å; E1973-L2615 WeakPolarHBondContact O-CD1 3.19Å; F1974-L2615 HydrophobicContact CD1-CD1 3.55Å; F1974-L2615 HydrophobicContact CE1-CD1 3.82Å; F1974-L2615 HydrophobicContact CG-CD1 4.38Å; L2415-L2615 HydrophobicContact CD1-CD1 3.97Å; L2415-L2615 HydrophobicContact CD1-CD2 4.06Å; L2415-L2615 HydrophobicContact CD1-CG 4.41Å; L2424-L2615 HydrophobicContact CD1-CD1 3.87Å; L2424-L2615 HydrophobicContact CD1-CD2 3.55Å; L2424-L2615 HydrophobicContact CD1-CG 4.35Å; L2611-L2615 HydrophobicContact CB-CD2 4.34Å; L2611-L2615 HydrophobicContact CD1-CD2 3.85Å; S2612-L2615 WeakPolarHBondContact O-CB 3.2Å; S2612-L2615 PolarHBondContact O-N 3.42Å; D2613-L2615 VanDerWaalsContact C-N 3.33Å; D2613-L2615 PolarHBondContact O-N 2.21Å
2616	L	59.7	Low	55.5	Low	41 Å²	41	69.2 Å²	69.2	22%	0.215	37%	0.367	C	S	.	.	H	α-helix	trans	-90.5	-35.3	178.6	-65.4	171.9	0	0	0	111.7	Y2461 H2596 D2613 R2614	Y2461-L2616 HydrophobicContact CD1-CD2 4.45Å; H2596-L2616 PolarHBondContact CE1-O 3.31Å; H2596-L2616 PolarHBondContact ND1-O 3.2Å; D2613-L2616 PolarHBondContact O-N 2.21Å; R2614-L2616 PolarHBondContact O-N 3.5Å; R2614-L2616 VanDerWaalsContact O-N 3.1Å
2617	G	45	Very low	53.7	Low	63 Å²	63	72 Å²	72	65%	0.649	38%	0.376	S	S	*	.	H	α-helix	trans	-71.5	-39.5	179.1	0	0	0	0	0	114.1	D2613 R2614 G2619	D2613-G2617 PolarHBondContact O-N 2.89Å; R2614-G2617 PolarHBondContact O-N 3Å; G2617-G2619 VanDerWaalsContact C-N 3.26Å; G2617-G2619 PolarHBondContact O-N 3.32Å
2618	S	39.7	Very low	51.8	Low	47 Å²	47	76 Å²	76	33%	0.329	39%	0.387	S	S	.	.	S	Bend	trans	-81.1	69.7	174.8	53.9	0	0	0	0	111.6	E1973 R2614 L2620	E1973-S2618 WeakPolarHBondContact OE1-CB 3.4Å; E1973-S2618 PolarHBondContact OE1-OG 3.01Å; R2614-S2618 PolarHBondContact O-N 3.39Å; R2614-S2618 PolarHBondContact O-OG 3.05Å; S2618-L2620 PolarHBondContact O-N 2.8Å; S2618-L2620 VanDerWaalsContact O-N 3.09Å
2619	G	35.9	Very low	49.4	Very low	40 Å²	40	76.3 Å²	76.3	41%	0.412	39%	0.393	S	S	.	.			trans	-44.8	119	178.8	0	0	0	0	0	112.3	G2617 K2621	G2617-G2619 VanDerWaalsContact C-N 3.26Å; G2617-G2619 PolarHBondContact O-N 3.32Å; G2619-K2621 VanDerWaalsContact C-N 3.35Å; G2619-K2621 WeakPolarHBondContact O-CG 3.33Å; G2619-K2621 PolarHBondContact O-N 2.95Å
2620	L	43.5	Very low	46.7	Very low	36 Å²	36	82.1 Å²	82.1	19%	0.188	42%	0.424	C	S	.	.	S	Bend	trans	-42.3	80.3	-158.5	-71.7	171.9	0	0	0	116.5	V2599 S2618 I2623	V2599-L2620 HydrophobicContact CG1-CD1 4.48Å; V2599-L2620 HydrophobicContact CG2-CD1 3.91Å; S2618-L2620 PolarHBondContact O-N 2.8Å; S2618-L2620 VanDerWaalsContact O-N 3.09Å; L2620-I2623 HydrophobicContact CD2-CD1 4.44Å
2621	K	34.8	Very low	44.1	Very low	173 Å²	173	86.7 Å²	86.7	75%	0.752	46%	0.455	S	S	*	.			trans	-100.8	-34.9	170.6	-76	177.7	177.7	-178.3	0	112.3	G2619 I2623 Q2624	G2619-K2621 VanDerWaalsContact C-N 3.35Å; G2619-K2621 WeakPolarHBondContact O-CG 3.33Å; G2619-K2621 PolarHBondContact O-N 2.95Å; K2621-I2623 VanDerWaalsContact C-N 3.34Å; K2621-I2623 PolarHBondContact O-N 2.84Å; K2621-Q2624 PolarHBondContact O-N 3.13Å
2622	F	29.7	Very low	41.4	Very low	160 Å²	160	91.3 Å²	91.3	70%	0.702	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-7.9	-167.8	-105.9	-76.5	0	0	0	117.3
2623	I	36	Very low	38.8	Very low	31 Å²	31	94.6 Å²	94.6	16%	0.159	51%	0.51	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-7	179.4	-31.6	178.8	0	0	0	112.8	F1974 L2620 K2621 Q2625	F1974-I2623 HydrophobicContact CE1-CD1 3.97Å; F1974-I2623 HydrophobicContact CZ-CD1 4.03Å; F1974-I2623 HydrophobicContact CZ-CG1 4.47Å; L2620-I2623 HydrophobicContact CD2-CD1 4.44Å; K2621-I2623 VanDerWaalsContact C-N 3.34Å; K2621-I2623 PolarHBondContact O-N 2.84Å; I2623-Q2625 VanDerWaalsContact C-N 3.28Å; I2623-Q2625 PolarHBondContact O-N 2.77Å
2624	Q	29.8	Very low	36.7	Very low	116 Å²	116	99.8 Å²	99.8	54%	0.542	53%	0.532	S	S	.	.	S	Bend	trans	-80.7	-8.7	176.9	-162.3	160.7	-8.5	0	0	112.9	K2621	K2621-Q2624 PolarHBondContact O-N 3.13Å
2625	Q	27.9	Very low	34.3	Very low	124 Å²	124	102.8 Å²	102.8	58%	0.579	55%	0.551	S	S	*	*	S	Bend	trans	-85.9	-22.7	178.5	-74	178.9	-48.9	0	0	114.7	I2623 N2627	I2623-Q2625 VanDerWaalsContact C-N 3.28Å; I2623-Q2625 PolarHBondContact O-N 2.77Å; Q2625-N2627 VanDerWaalsContact C-N 3.28Å; Q2625-N2627 PolarHBondContact O-N 2.75Å
2626	Q	28.1	Very low	32.4	Very low	166 Å²	166	107.1 Å²	107.1	78%	0.776	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	7.9	-176	-73.8	-168.6	-11.8	0	0	115.8
2627	N	29.5	Very low	31	Very low	130 Å²	130	110.4 Å²	110.4	70%	0.695	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.6	19.2	172.6	-76.4	-81.6	0	0	0	112.8	Q2625	Q2625-N2627 VanDerWaalsContact C-N 3.28Å; Q2625-N2627 PolarHBondContact O-N 2.75Å
2628	L	27.6	Very low	30.3	Very low	124 Å²	124	112.9 Å²	112.9	65%	0.649	60%	0.598	S	S	*	*			trans	-135.9	21.6	-171.4	-97.8	164.4	0	0	0	115.1
2629	E	25.1	Very low	29.8	Very low	119 Å²	119	116.6 Å²	116.6	56%	0.556	61%	0.613	S	S	*	*			trans	-115	43	172.4	-69.8	-169.7	161.5	0	0	113	Q27 K277	Q27-E2629 PolarHBondContact NE2-OE1 3.11Å; K277-E2629 PolarHBondContact NZ-O 2.96Å
2630	L	26.3	Very low	29.4	Very low	136 Å²	136	121.1 Å²	121.1	71%	0.712	63%	0.625	S	S	*	*			trans	-125.4	31	169.5	-110	168.8	0	0	0	113.9
2631	S	26.4	Very low	28.5	Very low	104 Å²	104	126.4 Å²	126.4	73%	0.727	65%	0.652	S	S	*	*	S	Bend	trans	-123.5	129.7	155.9	-57	0	0	0	0	107.3
2632	S	25.5	Very low	28.1	Very low	102 Å²	102	123.3 Å²	123.3	71%	0.713	65%	0.646	S	S	*	*			trans	-83.3	147.4	172.5	39.3	0	0	0	0	110.8	E2634	S2632-E2634 PolarHBondContact O-N 3.39Å
2633	P	28.9	Very low	28	Very low	71 Å²	71	120.6 Å²	120.6	46%	0.461	64%	0.642	S	S	.	*			trans	-81.2	110.4	178.5	32.8	-34.9	0	0	0	111.4	H26	H26-P2633 WeakPolarHBondContact NE2-CG 3.3Å
2634	E	27.5	Very low	27.4	Very low	170 Å²	170	127.5 Å²	127.5	79%	0.794	68%	0.679	S	S	*	*			trans	-126.9	109.7	156	-72.6	-169.9	125.1	0	0	108.3	S2632	S2632-E2634 PolarHBondContact O-N 3.39Å
2635	Q	25	Very low	27.2	Very low	194 Å²	194	128.5 Å²	128.5	91%	0.907	69%	0.69	S	S	*	*			trans	54.5	110.6	162	-52.5	177.5	12.3	0	0	116.8
2636	S	28.4	Very low	27.1	Very low	102 Å²	102	128.9 Å²	128.9	71%	0.713	70%	0.7	S	S	*	*			cis	-115.2	0	2.6	62.6	0	0	0	0	111.7	P24 Y25	P24-S2636 WeakPolarHBondContact CD-O 3.27Å; Y25-S2636 WeakPolarHBondContact CD2-O 3.19Å; Y25-S2636 WeakPolarHBondContact CD2-OXT 3.21Å

Retrieved 2,636 of 2,636 residues in 1498.1 ms (Link to these results)

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