A0A3Q0KSS5_SCHMA Loading...

BAH domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KSS5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,464 aa.

						>A0A3Q0KSS5_SCHMA|A0A3Q0KSS5
MEKSDNPSAKCPDILPSQGSKINSSTSQNNNNNDTCRTDNVTTEQRPVETITEDLEPALRRSKRGKGRPSNTNNANNNNNNDGTSDDHVPSCIISGTEYHTGDFVYYEEPDFDYYTIGLIEEIKVSRRDKFSIFIKCFYRTHDIPEISKQGLPDRDNYYPIQSNNNKLIRDIFARELFVSEVQETLPAKQLRGICKVNYLPDLKTALSTFSPEEDDSFFYVFAYNPETRRLSKIRAEIRVGQAYQASLPEFRHFPPAMYRFGHSRGNFRPIRRSRKSKIKLETSYKSDQDINTLKCCLRKSHSLSPYYRRKYRCKAMKSVTTADSDNNNNSLANQLMTNDTLNISNPDTDSPTISMLNNNKTLKPSSDDNLISSNNHVTCEIDTIPNLSEDTKNSEENNVEMDVQQQTDIQNSIPLLNLPPKLENANDFKDSLNTITTTDCSHHKKYHSYYRKQLRHHRKKRHRRLRRRQQQSQSKEVLVWSPGGLSSALSGTSEKFDVSNTTAYNHNNIHLNDINDNFTNVSNNISTDFNSMLSDEPLKNYLDAVRSMVAFFGFGGADDDLASAENGLVLANLAATTQHAYDTLHKCNYSLRNALQAISCNPIVAKDTPRHWTTDQVRLFAHALRIHGKDFFKIQRNFFGGKTSVNNNNDNNNNNSTNNNGNNVDVVGLWNSSQVVNGRLRGRGRRKLGGANAVGVCSNASTLKLSSLKSDEIGSTSVATLVPSKLDEVKPEDATSVPTSGSSHDGGESVENGIVSGSTTLKGSNGNDESSLSTGVPVTNEPIKTVKELIAFYYYWKRKGTSSCSSSSSASISGVGGGGHGGLSSVAANFATAVVAATHNTDTTTSNTAAGANNNHIPFSLSGNTTTPFESANNPNGSAFSTQAHITSVSVKKRKPTNRGCVLNNSKPTSNTEDKLESIDPNHHESEIEDQNDLANNGHDDVDMPVTSSEKTDEITPVSTTSSADSLSTSRLRKRVCRNCAVELPSTGESPPSPMPNHHQLGQLQFLCSDCRIHLQKYGELKCTSKEEEEEINNPSETLNSISNDGKLQKKESNDRNLLDTIEEDGLEDVRHGIKDDHSNEITVSSMLDAIKPTCSLTTSSTNYHRKHKKHTLDRSKKQSHSDNYDSSSSLSSSSSLCSLKLHMDKYYSISSSASSSPRSSQLEDEDVEEEEEEEDSDSIGSDYESDSSPSCSSIGSPISCKSPLIHHELNEINSECPSYRHMKRKRKNSHTVNHLRIKGKKHICNDIDYMCKPPPKLDDNRDYDCNEDNQCFSIQPKIDTNDSHCSDTNKSVLQTSEILSTSNLIDSRDTKGHISNVLYSNTTNSSISSTNKLDELKKDYTMKLSAPIDINNNNSDTTNNNNDRQSPGEIGDQQRNNDPDDGDDNSMRELEIDRIIAATNESNPLSCFIDAHRSTWSHLVRIWDRQIQYSHTTTTTTTPGTTDYQSTKIETNHGSCARTDLIYCGRGLDNISSNNQEFWNIQKCNLFTKYADTAIGPGVNLYLSSSSIIPSNMDNPINIVSSESINKLEILNLTSPNASYTNMSCNPSPGIHDSSSTALDLCSRNSSKRSFIPSSCSTEQPCTKSRRSFQCDTINNPYLHSISSNIPNVNTSCTTVLNSISNTISNSQILQTGAGLRPTVNNTSTTNTINNNNNMSSQQQRQLQTMYEQALIFAAAAAGHYQHSPPVPSGPLRDTSKFFPTNFELNNQMKQTPVVSSPNLRFISSNSSNNNNNNNNNNPLMSTRLGAATGTFYPPISSLSTSTGISSSLSSSNNNNNNNNTFGINKQSISGAPFNFNLTDSQYQSLNLPPAQMTMSANNVGSMSNLHGSNFNPTTGSSISNCYNGLGSSSSNSSVPGNQLYNHPEFLQRQLALMGLLPPGSITPENLMPITSIEQREIETLQRLMTERLEYLRNTTNNNQQQQQQQRTITPVEQIYQQQQQQQQQELFASAFSAEMASRLESISSNNYSNQDIQFPLSFNLSHCETTNGAMTSAVNSISTRPTASIQLPQNTRFSQSIQCNTPLLTNRFPINPSDIHNINKTPPIAHHNSLYSTSRDNSTNLNVNISPMSLNMVGSTRAQPNIPFSTPNSHGTSRSTARNSNTQSLSSLSSSSSNLQEQVFNAAKLAMMAANMQSDPNKALTFASLAAAAFTEMASSSPQDKKLSSRSNDHSSTTSHHQLSGIQENLSQRNMNIPTSNMRLRSPVGSSSGQYNSDCNNNIPTPGVVFSNFMHQNTHKERRRQNSHLSSSNIASHSPGVVSQSSNRLQSPPVHYSHSESRSFSNDNNNNNNNRTPTPAANRIHQSLSGNNDSSFGVGSTVPGGGGGGGIPPAQLAQLAHLAQMSGLPPGFSFQDPAVLNAFALAAAATSLVASGGGANQPDLLPDTNMSANPVDRYRSPVPSYTSPQPHQQRYPSNNSQSQQQQQKAAAAAAAAAAAMANAFGLQNLPAQFNTRLSSSSSQPP
					

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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	30.5	Very low	31.1	Very low	237 Å²	237	127.5 Å²	127.5	100%	1.167	69%	0.686	S	S	*	*				0	113.8	0	-66.3	159.1	82.8	0	0	107.2
2	E	36.2	Very low	31.1	Very low	150 Å²	150	125.4 Å²	125.4	70%	0.701	68%	0.684	S	S	*	*			cis	-152.9	142.5	-13.7	-73.8	-156.1	135.6	0	0	106.5
3	K	32.4	Very low	30.9	Very low	174 Å²	174	126 Å²	126	76%	0.757	69%	0.686	S	S	*	*			cis	-131.6	-178	-11.4	-94.4	139.9	179.5	148.4	0	107.7
4	S	27.6	Very low	31	Very low	89 Å²	89	126.5 Å²	126.5	62%	0.622	69%	0.686	S	S	*	*			trans	-139	173.5	-161.5	52	0	0	0	0	114.4
5	D	32.7	Very low	30.9	Very low	133 Å²	133	128.2 Å²	128.2	71%	0.711	69%	0.693	S	S	*	*			trans	72.4	134.5	162.8	-39.7	-51.8	0	0	0	114.1
6	N	36.4	Very low	31.3	Very low	147 Å²	147	127.8 Å²	127.8	79%	0.786	70%	0.699	S	S	*	*			cis	38.8	87.2	27.2	-160.8	25.1	0	0	0	117
7	P	32.6	Very low	31.3	Very low	89 Å²	89	125.2 Å²	125.2	58%	0.578	69%	0.693	S	S	*	*				-132.8	154.4	122.5	17.3	3.9	0	0	0	111.9
8	S	24.5	Very low	31.4	Very low	64 Å²	64	128.6 Å²	128.6	45%	0.448	70%	0.702	S	S	.	*			cis	77.1	144.3	35	-163.9	0	0	0	0	116.2
9	A	26.7	Very low	31.5	Very low	49 Å²	49	125.7 Å²	125.7	41%	0.405	71%	0.706	S	S	.	*			trans	62.3	151.3	178.8	0	0	0	0	0	114.9
10	K	28.3	Very low	31.7	Very low	190 Å²	190	124.3 Å²	124.3	83%	0.826	70%	0.704	S	S	*	*			cis	-140.7	142.4	18	-87.8	-175.8	-176.5	175.9	0	107.5
11	C	34.3	Very low	31.8	Very low	81 Å²	81	126.7 Å²	126.7	55%	0.547	71%	0.707	S	S	.	*			cis	56.1	118.3	22.4	-105.6	0	0	0	0	113.4
12	P	31.2	Very low	31.9	Very low	102 Å²	102	121.3 Å²	121.3	66%	0.662	68%	0.682	S	S	*	*				-150.8	-180	73.3	46.4	-30.6	0	0	0	116.9
13	D	27.9	Very low	31.5	Very low	133 Å²	133	121.1 Å²	121.1	71%	0.711	69%	0.686	S	S	*	*			trans	78.1	146.2	140.8	-67.3	-17.2	0	0	0	120.2
14	I	32	Very low	31.4	Very low	133 Å²	133	117.8 Å²	117.8	68%	0.682	68%	0.684	S	S	*	*			cis	-149.9	111.2	-9.4	-124.2	159	0	0	0	108.5
15	L	29.8	Very low	31.3	Very low	152 Å²	152	118.3 Å²	118.3	80%	0.796	69%	0.688	S	S	*	*				25.9	117.3	105.2	-76.9	172.5	0	0	0	116.1
16	P	37.9	Very low	31	Very low	121 Å²	121	117 Å²	117	79%	0.786	69%	0.685	S	S	*	*				-138.7	167.2	96.5	15.2	7.2	0	0	0	113.5
17	S	31.4	Very low	30.5	Very low	84 Å²	84	112.7 Å²	112.7	59%	0.587	67%	0.666	S	S	*	*			cis	-160.8	135.3	-9.2	163.1	0	0	0	0	111.1
18	Q	32.9	Very low	30.2	Very low	186 Å²	186	112.2 Å²	112.2	87%	0.869	66%	0.656	S	S	*	*			trans	38.1	114.9	142.8	-50.6	175.5	44.8	0	0	120.3
19	G	34.2	Very low	30.2	Very low	75 Å²	75	113.7 Å²	113.7	77%	0.773	66%	0.659	S	S	*	*			trans	-117.4	-25.5	172.4	0	0	0	0	0	117.5
20	S	34.3	Very low	30.2	Very low	96 Å²	96	116.5 Å²	116.5	67%	0.671	67%	0.667	S	S	*	*			trans	62.4	156.5	-173.5	-72.3	0	0	0	0	115.4
21	K	33.7	Very low	30.1	Very low	175 Å²	175	111.4 Å²	111.4	76%	0.761	65%	0.649	S	S	*	*			cis	-161.7	164.7	-15.4	-113.8	164.5	-168.7	165.3	0	110.1
22	I	33.2	Very low	29.7	Very low	124 Å²	124	111 Å²	111	64%	0.636	64%	0.641	S	S	*	*			trans	69	110	145.3	-70.1	164.5	0	0	0	119.4
23	N	28.3	Very low	29.6	Very low	146 Å²	146	109.4 Å²	109.4	78%	0.781	63%	0.627	S	S	*	*				52.7	174	123.6	-41.4	-11.4	0	0	0	119.3
24	S	30.1	Very low	29.9	Very low	104 Å²	104	109.5 Å²	109.5	73%	0.727	63%	0.628	S	S	*	*			cis	-148.2	165.9	4.6	-38	0	0	0	0	112.4
25	S	25.6	Very low	30.1	Very low	101 Å²	101	107.9 Å²	107.9	71%	0.706	63%	0.625	S	S	*	*			trans	-41	167.8	164.6	64.9	0	0	0	0	119.3
26	T	26.5	Very low	30.1	Very low	104 Å²	104	106.3 Å²	106.3	64%	0.638	63%	0.625	S	S	*	*			trans	92	134.4	142.1	-59.2	0	0	0	0	119
27	S	25.5	Very low	29.8	Very low	57 Å²	57	108.8 Å²	108.8	40%	0.399	62%	0.619	S	S	.	*			trans	74.5	125.5	153.1	-79.2	0	0	0	0	123.4	N1235 H1236	S27-N1235 VanDerWaalsContact CB-CA 3.48Å; S27-H1236 PolarHBondContact OG-N 3.28Å
28	Q	26.1	Very low	29.6	Very low	80 Å²	80	109.2 Å²	109.2	37%	0.374	62%	0.618	S	S	.	*				64.4	138.1	106.4	-150.4	-128	35.3	0	0	121.4	V1234 N1235 H1236	Q28-V1234 PolarHBondContact OE1-O 3.33Å; Q28-N1235 VanDerWaalsContact CD-C 3.42Å; Q28-N1235 PolarHBondContact OE1-O 3.21Å; Q28-H1236 VanDerWaalsContact NE2-N 3.19Å; Q28-H1236 PolarHBondContact NE2-O 2.8Å
29	N	25.4	Very low	29.6	Very low	94 Å²	94	104.4 Å²	104.4	50%	0.503	60%	0.598	S	S	.	*			trans	69.9	139.5	148.5	-83.9	10.1	0	0	0	124.5
30	N	26.7	Very low	29.5	Very low	108 Å²	108	103.5 Å²	103.5	58%	0.578	58%	0.575	S	S	*	*				62.7	120.5	128.6	-58.4	-0.5	0	0	0	123.6
31	N	26.2	Very low	29.6	Very low	84 Å²	84	101.7 Å²	101.7	45%	0.449	56%	0.56	S	S	.	*				58.1	122.6	116.9	-53.8	2.4	0	0	0	122.4
32	N	25.9	Very low	29.5	Very low	71 Å²	71	97.3 Å²	97.3	38%	0.38	55%	0.548	S	S	.	.				71.9	139.5	127.4	-59.2	-12.4	0	0	0	121.8	L59 V1934	N32-L59 WeakPolarHBondContact OD1-CD1 3.33Å; N32-V1934 HydrophobicContact CB-CG1 4.22Å; N32-V1934 VanDerWaalsContact ND2-CG1 3.28Å; N32-V1934 WeakPolarHBondContact ND2-CG1 3.44Å
33	N	27.8	Very low	29.5	Very low	69 Å²	69	95.3 Å²	95.3	37%	0.369	54%	0.542	S	S	.	.			trans	67.5	116.3	160.3	-68.5	33.7	0	0	0	118.2	V1934	N33-V1934 WeakPolarHBondContact OD1-CB 3.41Å; N33-V1934 VanDerWaalsContact OD1-CG2 3.31Å; N33-V1934 WeakPolarHBondContact OD1-CG2 3.3Å
34	D	33.9	Very low	29.8	Very low	135 Å²	135	93.3 Å²	93.3	72%	0.722	53%	0.528	S	S	*	.				-178	170.7	98.4	-91.2	-30.8	0	0	0	109.2
35	T	36.9	Very low	30	Very low	100 Å²	100	92.8 Å²	92.8	61%	0.613	51%	0.514	S	S	*	.			cis	-178	122.4	-39.2	-88.4	0	0	0	0	106.1
36	C	29.2	Very low	30.6	Very low	118 Å²	118	94.7 Å²	94.7	80%	0.797	51%	0.506	S	S	*	.			trans	63	171.2	168.7	-68.8	0	0	0	0	118.5
37	R	31.5	Very low	31.3	Very low	174 Å²	174	94.9 Å²	94.9	66%	0.657	51%	0.508	S	S	*	.			cis	176.7	143.9	-36.1	-169.6	-171.9	179.1	164.8	-3.1	107.2
38	T	28.9	Very low	31.6	Very low	93 Å²	93	98.2 Å²	98.2	57%	0.571	53%	0.526	S	S	*	.			trans	62.4	143.7	157.8	44.5	0	0	0	0	117.4
39	D	32.5	Very low	31.6	Very low	84 Å²	84	102.3 Å²	102.3	45%	0.449	55%	0.545	S	S	.	.			cis	-161.7	160.2	9.3	-105.8	-21.7	0	0	0	113.6	R1915	D39-R1915 IonicContact OD2-CZ 3.36Å; D39-R1915 IonicContact OD2-NE 3.14Å; D39-R1915 PolarHBondContact OD2-NE 2.64Å; D39-R1915 IonicContact OD2-NH2 3.77Å; D39-R1915 PolarHBondContact OD2-NH2 2.9Å
40	N	31.5	Very low	32	Very low	57 Å²	57	104.3 Å²	104.3	31%	0.305	56%	0.561	S	S	.	*			trans	46.2	114.2	153.4	-57.2	-3.5	0	0	0	117.1	N1354 N1355	N40-N1354 HydrophobicContact CB-CB 3.87Å; N40-N1355 PolarHBondContact ND2-OD1 2.82Å
41	V	35.4	Very low	32.2	Very low	57 Å²	57	106.7 Å²	106.7	35%	0.345	57%	0.572	S	S	.	*				-153.4	168.9	57.8	-52.8	0	0	0	0	112.1	I1352 N1353 N1354	V41-I1352 HydrophobicContact CB-CG2 3.91Å; V41-I1352 HydrophobicContact CG1-CG2 4.34Å; V41-I1352 HydrophobicContact CG2-CB 4.11Å; V41-I1352 HydrophobicContact CG2-CD1 3.69Å; V41-I1352 HydrophobicContact CG2-CG1 4.46Å; V41-I1352 HydrophobicContact CG2-CG2 3.57Å; V41-N1353 WeakPolarHBondContact CG1-OD1 3.43Å; V41-N1354 VanDerWaalsContact CA-OD1 3.23Å; V41-N1354 WeakPolarHBondContact CA-OD1 3.27Å; V41-N1354 HydrophobicContact CB-CB 4.07Å; V41-N1354 HydrophobicContact CG1-CB 3.9Å
42	T	32.8	Very low	32.5	Very low	83 Å²	83	106.9 Å²	106.9	51%	0.509	58%	0.576	S	S	.	*			cis	61.1	141.1	-18.6	136.4	0	0	0	0	126	N1354	T42-N1354 VanDerWaalsContact C-OD1 3.3Å; T42-N1354 WeakPolarHBondContact CA-OD1 3.47Å; T42-N1354 WeakPolarHBondContact CB-OD1 3.39Å; T42-N1354 VanDerWaalsContact CG2-OD1 3.31Å; T42-N1354 WeakPolarHBondContact CG2-OD1 3.35Å; T42-N1354 WeakPolarHBondContact O-CA 3.18Å; T42-N1354 PolarHBondContact O-N 2.86Å; T42-N1354 PolarHBondContact O-OD1 2.62Å; T42-N1354 VanDerWaalsContact O-OD1 3.06Å; T42-N1354 PolarHBondContact OG1-OD1 2.82Å
43	T	33.3	Very low	32.8	Very low	83 Å²	83	109.7 Å²	109.7	51%	0.509	59%	0.587	S	S	.	*			trans	172.5	125.1	148	-85	0	0	0	0	109	N1353 N1354	T43-N1353 PolarHBondContact OG1-O 3.42Å; T43-N1354 VanDerWaalsContact OG1-CA 3.29Å; T43-N1354 WeakPolarHBondContact OG1-CA 3.39Å
44	E	33.2	Very low	33.2	Very low	104 Å²	104	110.5 Å²	110.5	49%	0.486	59%	0.591	S	S	.	*			cis	-146.8	-78.7	-24.4	-132.7	-49.5	107.4	0	0	115.7	D348	E44-D348 PolarHBondContact N-OD2 3.16Å
45	Q	35.7	Very low	33.4	Very low	93 Å²	93	108.7 Å²	108.7	44%	0.435	58%	0.581	S	S	.	*				-98.5	-161.7	-124.4	-150.2	120.7	126.4	0	0	119.5
46	R	37.7	Very low	33.2	Very low	141 Å²	141	112 Å²	112	53%	0.532	59%	0.59	S	S	.	*			trans	-85.6	165.9	-146.2	-31.9	-175.9	-170.8	101.2	-4.1	116	D350	R46-D350 VanDerWaalsContact CB-OD2 3.31Å; R46-D350 WeakPolarHBondContact CB-OD2 3.29Å; R46-D350 WeakPolarHBondContact CD-OD2 3.35Å; R46-D350 WeakPolarHBondContact CG-OD2 3.24Å; R46-D350 IonicContact CZ-OD2 3.69Å; R46-D350 IonicContact NE-OD2 2.84Å; R46-D350 IonicContact NH1-OD2 2.87Å; R46-D350 PolarHBondContact NH1-OD2 3.44Å
47	P	42.1	Very low	33.5	Very low	107 Å²	107	110.9 Å²	110.9	70%	0.695	58%	0.581	S	S	*	*			cis	-120.1	-175.8	-10.7	31.2	-10.6	0	0	0	112.1
48	V	31.3	Very low	33.3	Very low	127 Å²	127	107.1 Å²	107.1	77%	0.77	59%	0.587	S	S	*	*			cis	-151.8	176.3	21.3	-141.4	0	0	0	0	111
49	E	26.7	Very low	33.4	Very low	166 Å²	166	108.1 Å²	108.1	78%	0.776	59%	0.588	S	S	*	*			trans	-38.8	135.9	169.3	-60.1	164.5	-147.6	0	0	114.8
50	T	32.6	Very low	33.2	Very low	136 Å²	136	114.7 Å²	114.7	83%	0.834	61%	0.607	S	S	*	*				-159	150.6	54.3	-49	0	0	0	0	113
51	I	30.8	Very low	33.1	Very low	159 Å²	159	122.1 Å²	122.1	82%	0.815	63%	0.63	S	S	*	*			trans	-87.7	167.5	-168.7	-70.4	163.6	0	0	0	114.8
52	T	32.1	Very low	32.8	Very low	87 Å²	87	123.3 Å²	123.3	53%	0.534	64%	0.641	S	S	.	*				-170	168.5	-51.5	-47.4	0	0	0	0	107.2
53	E	32.8	Very low	32.8	Very low	130 Å²	130	124.9 Å²	124.9	61%	0.607	64%	0.641	S	S	*	*			trans	65.1	156.1	169.6	-56.7	-60.5	85.1	0	0	120.9	P2025	E53-P2025 WeakPolarHBondContact O-CD 3.5Å
54	D	37.1	Very low	32.6	Very low	86 Å²	86	132.1 Å²	132.1	46%	0.46	66%	0.659	S	S	.	*			trans	-136.4	-177.2	-157.2	-155.6	0.6	0	0	0	115.4	L2026	D54-L2026 VanDerWaalsContact CB-N 3.29Å; D54-L2026 WeakPolarHBondContact CB-O 3.31Å; D54-L2026 PolarHBondContact OD2-N 2.9Å
55	L	37.6	Very low	32.4	Very low	97 Å²	97	130.4 Å²	130.4	51%	0.508	67%	0.669	S	S	.	*			trans	66.5	112.3	148	-87.3	162.9	0	0	0	120.7
56	E	32.9	Very low	32.2	Very low	171 Å²	171	136.6 Å²	136.6	80%	0.799	70%	0.695	S	S	*	*			trans	80.9	162	137.8	-106.7	-151.9	117.4	0	0	119.3
57	P	34.2	Very low	31.9	Very low	94 Å²	94	133.4 Å²	133.4	61%	0.61	71%	0.706	S	S	*	*				-133.9	163.5	-93.7	43.2	-29.1	0	0	0	118.2	L59	P57-L59 PolarHBondContact O-N 2.94Å
58	A	29	Very low	31.4	Very low	94 Å²	94	139.9 Å²	139.9	78%	0.777	72%	0.716	S	S	*	*			trans	5.4	102.3	149.6	0	0	0	0	0	120.1
59	L	29.3	Very low	31.5	Very low	114 Å²	114	136.9 Å²	136.9	60%	0.597	70%	0.699	S	S	*	*			trans	-118.5	100.8	151.2	-93.8	175.7	0	0	0	115.1	N32 P57	N32-L59 WeakPolarHBondContact OD1-CD1 3.33Å; P57-L59 PolarHBondContact O-N 2.94Å
60	R	29.7	Very low	31.8	Very low	223 Å²	223	133.7 Å²	133.7	84%	0.842	70%	0.695	S	S	*	*			trans	-48.1	137.9	160.4	-56.5	155.3	157.7	170	-7.2	111.7
61	R	28.3	Very low	31.9	Very low	212 Å²	212	133.7 Å²	133.7	80%	0.8	69%	0.69	S	S	*	*				179.6	146.1	100.6	-103.1	176.5	170	173	-1.4	118	R1695	R61-R1695 PolarHBondContact O-NH2 2.92Å
62	S	28.6	Very low	32	Very low	82 Å²	82	131 Å²	131	57%	0.573	68%	0.681	S	S	*	*			trans	27.9	117.9	130.1	-172.6	0	0	0	0	121.9	R64	S62-R64 PolarHBondContact OG-N 3.37Å
63	K	32.8	Very low	32.1	Very low	117 Å²	117	133.3 Å²	133.3	51%	0.509	69%	0.69	S	S	.	*				-111.1	122.8	116.4	-67	174.9	-170.2	163.9	0	105.5	D1696	K63-D1696 IonicContact NZ-OD2 3.71Å; K63-D1696 PolarHBondContact NZ-OD2 3.2Å
64	R	30	Very low	32.2	Very low	234 Å²	234	134 Å²	134	88%	0.883	70%	0.698	S	S	*	*				52.3	125	83.2	-66.2	-178.9	174.1	178.4	0.2	112.7	S62	S62-R64 PolarHBondContact OG-N 3.37Å
65	G	28.7	Very low	32	Very low	68 Å²	68	134.4 Å²	134.4	70%	0.701	71%	0.714	S	S	*	*			cis	169.7	-162.9	-1.4	0	0	0	0	0	112.3
66	K	32.7	Very low	31.9	Very low	224 Å²	224	136.4 Å²	136.4	97%	0.974	73%	0.725	S	S	*	*			trans	79	120.8	-175	-49.5	170.9	-177.8	176.5	0	114.8
67	G	30.6	Very low	32	Very low	73 Å²	73	134 Å²	134	75%	0.753	72%	0.717	S	S	*	*			cis	162.8	145	-25.2	0	0	0	0	0	117.5
68	R	32	Very low	32.1	Very low	244 Å²	244	135.2 Å²	135.2	92%	0.921	72%	0.719	S	S	*	*			trans	71.9	161.7	148.9	-87	-173.7	171.3	-157.7	-3	120.2
69	P	34.1	Very low	32.4	Very low	64 Å²	64	137.2 Å²	137.2	42%	0.416	72%	0.716	S	S	.	*			cis	-137.7	173.6	-16.2	33.9	-14.4	0	0	0	117.2	A2428	P69-A2428 HydrophobicContact CG-CB 4.16Å
70	S	32.2	Very low	32.7	Very low	98 Å²	98	138 Å²	138	69%	0.685	72%	0.721	S	S	*	*			trans	66.7	144.7	154.1	38.3	0	0	0	0	119.3
71	N	34.7	Very low	32.8	Very low	137 Å²	137	134.3 Å²	134.3	73%	0.733	72%	0.718	S	S	*	*			cis	-152.2	122.7	3	-116.2	15	0	0	0	110.2
72	T	32.1	Very low	32.9	Very low	101 Å²	101	131.4 Å²	131.4	62%	0.62	72%	0.719	S	S	*	*				60.8	124.9	104.8	63	0	0	0	0	116.2
73	N	35.3	Very low	33.3	Very low	137 Å²	137	130 Å²	130	73%	0.733	72%	0.717	S	S	*	*			cis	-156.7	154.6	27.4	-83.9	-44.5	0	0	0	116.1
74	N	34	Very low	33.5	Very low	144 Å²	144	130.1 Å²	130.1	77%	0.77	73%	0.728	S	S	*	*			trans	61.3	110.7	144.1	-63.9	-6.4	0	0	0	125.2
75	A	34.5	Very low	34	Very low	95 Å²	95	121.8 Å²	121.8	79%	0.785	71%	0.706	S	S	*	*				66.4	147.8	126	0	0	0	0	0	120.8
76	N	33.8	Very low	34.9	Very low	138 Å²	138	124.1 Å²	124.1	74%	0.738	70%	0.702	S	S	*	*			cis	-157.2	158.1	2.5	-141.9	18.3	0	0	0	114
77	N	36	Very low	36.2	Very low	120 Å²	120	117.3 Å²	117.3	64%	0.642	68%	0.676	S	S	*	*			trans	64.7	124.7	152.8	-73.7	5.1	0	0	0	124.3
78	N	36.3	Very low	37.9	Very low	121 Å²	121	117.9 Å²	117.9	65%	0.647	66%	0.659	S	S	*	*			trans	82.8	112.5	132.9	-63.7	5.8	0	0	0	122.8
79	N	35	Very low	40	Very low	135 Å²	135	108.6 Å²	108.6	72%	0.722	63%	0.629	S	S	*	*			trans	67.9	150.1	131.3	-57.5	-0.4	0	0	0	120
80	N	35	Very low	42.2	Very low	131 Å²	131	109.8 Å²	109.8	70%	0.701	64%	0.637	S	S	*	*			cis	-172.5	140.9	-35.1	-112.1	8.7	0	0	0	106.6
81	N	32	Very low	44.9	Very low	145 Å²	145	106.2 Å²	106.2	78%	0.775	61%	0.612	S	S	*	*			trans	62.7	120.7	165.4	-59.4	6.9	0	0	0	115.3
82	D	31.8	Very low	47.6	Very low	152 Å²	152	99.8 Å²	99.8	81%	0.813	58%	0.578	S	S	*	*				91.4	152	72.7	-160	17.8	0	0	0	111.6
83	G	35.6	Very low	50.3	Low	53 Å²	53	100.4 Å²	100.4	55%	0.546	58%	0.576	S	S	.	*			trans	154.5	118.3	-175.9	0	0	0	0	0	113.7
84	T	36.8	Very low	52.7	Low	118 Å²	118	94.8 Å²	94.8	72%	0.724	55%	0.546	S	S	*	.			trans	-66.7	147.5	155	43.4	0	0	0	0	109.3	D86	T84-D86 VanDerWaalsContact CB-OD2 3.24Å; T84-D86 WeakPolarHBondContact CB-OD2 3.46Å; T84-D86 PolarHBondContact O-N 3.17Å; T84-D86 PolarHBondContact OG1-OD2 3.05Å
85	S	41.2	Very low	55	Low	60 Å²	60	93.8 Å²	93.8	42%	0.42	55%	0.55	S	S	.	*			trans	-82.9	61	178.2	63.5	0	0	0	0	111.2	D87	S85-D87 PolarHBondContact O-N 3.29Å
86	D	47.2	Very low	57.4	Low	116 Å²	116	92.6 Å²	92.6	62%	0.62	55%	0.547	S	S	*	.			trans	-78.9	102.6	168.3	-68.4	-69.4	0	0	0	108.1	T84 H88	T84-D86 VanDerWaalsContact CB-OD2 3.24Å; T84-D86 WeakPolarHBondContact CB-OD2 3.46Å; T84-D86 PolarHBondContact O-N 3.17Å; T84-D86 PolarHBondContact OG1-OD2 3.05Å; D86-H88 PolarHBondContact O-N 3.4Å
87	D	60.7	Low	60	Low	81 Å²	81	88.7 Å²	88.7	43%	0.433	53%	0.529	S	S	.	.			trans	-66.5	12	175.4	-63.1	-44.1	0	0	0	112.8	S85 K2127	S85-D87 PolarHBondContact O-N 3.29Å; D87-K2127 IonicContact OD2-NZ 3.05Å; D87-K2127 PolarHBondContact OD2-NZ 3.19Å
88	H	65.8	Low	62.6	Low	85 Å²	85	87.2 Å²	87.2	39%	0.394	52%	0.518	S	S	.	.	B	Isolated β-bridge	trans	-95.8	103.8	-172	-171.2	93.5	0	0	0	109.8	D86 E122	D86-H88 PolarHBondContact O-N 3.4Å; H88-E122 IonicContact CE1-OE1 3.79Å; H88-E122 IonicContact CG-OE1 3.55Å; H88-E122 WeakPolarHBondContact ND1-CG 3.24Å; H88-E122 IonicContact ND1-OE1 3.76Å; H88-E122 PolarHBondContact ND1-OE1 2.76Å
89	V	76.7	Confident	65.3	Low	49 Å²	49	81.6 Å²	81.6	30%	0.297	49%	0.488	S	S	.	.			trans	-96.8	126.1	-177	-173	0	0	0	0	108.4	S91 I123 V125	V89-S91 VanDerWaalsContact C-N 3.29Å; V89-S91 VanDerWaalsContact CG1-O 3.29Å; V89-S91 WeakPolarHBondContact CG1-O 3.48Å; V89-S91 PolarHBondContact O-N 3.23Å; V89-I123 PolarHBondContact N-O 3.49Å; V89-I123 WeakPolarHBondContact O-CB 3.4Å; V89-V125 HydrophobicContact CB-CG2 4.2Å; V89-V125 HydrophobicContact CG2-CB 4.15Å; V89-V125 HydrophobicContact CG2-CG2 3.53Å
90	P	80.5	Confident	68.1	Low	89 Å²	89	79 Å²	79	58%	0.578	47%	0.471	S	S	*	.	S	Bend	trans	-70.4	-23.3	-169.4	27.1	-35.6	0	0	0	114	H100 T101	P90-H100 WeakPolarHBondContact O-CA 3.45Å; P90-T101 PolarHBondContact O-N 3.41Å
91	S	89	Confident	70.8	Confident	23 Å²	23	75.2 Å²	75.2	16%	0.161	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	163.8	177.4	67.8	0	0	0	0	112.9	V89 E98 Y99	V89-S91 VanDerWaalsContact C-N 3.29Å; V89-S91 VanDerWaalsContact CG1-O 3.29Å; V89-S91 WeakPolarHBondContact CG1-O 3.48Å; V89-S91 PolarHBondContact O-N 3.23Å; S91-E98 VanDerWaalsContact CB-OE1 3.29Å; S91-E98 WeakPolarHBondContact CB-OE1 3.37Å; S91-E98 PolarHBondContact OG-OE1 2.92Å; S91-Y99 CarbonylContact C-O 2.71Å; S91-Y99 WeakPolarHBondContact CA-O 3.43Å; S91-Y99 WeakPolarHBondContact CB-O 3.01Å
92	C	89.4	Confident	73.7	Confident	3 Å²	3	70.4 Å²	70.4	2%	0.02	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	144.9	168.4	64.1	0	0	0	0	111.7	Y99 I123 F131	C92-Y99 PolarHBondContact N-O 3.37Å; C92-Y99 PolarHBondContact O-N 3.12Å; C92-I123 HydrophobicContact CB-CG2 4.03Å; C92-F131 HydrophobicContact CB-CB 4.4Å; C92-F131 HydrophobicContact CB-CD1 3.29Å; C92-F131 HydrophobicContact CB-CD2 4.31Å; C92-F131 HydrophobicContact CB-CE1 3.44Å; C92-F131 VanDerWaalsContact CB-CE1 3.44Å; C92-F131 HydrophobicContact CB-CE2 4.44Å; C92-F131 HydrophobicContact CB-CG 3.76Å; C92-F131 HydrophobicContact CB-CZ 4.04Å
93	I	89	Confident	76.7	Confident	113 Å²	113	65.1 Å²	65.1	58%	0.579	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105	119.6	-176.5	-57.3	175.4	0	0	0	109.7	T97 E98	I93-T97 CarbonylContact C-O 3.35Å; I93-T97 WeakPolarHBondContact CA-O 3.34Å; I93-E98 HydrophobicContact CG1-CB 4.01Å; I93-E98 HydrophobicContact CG1-CG 3.97Å
94	I	85.6	Confident	79.6	Confident	20 Å²	20	64.9 Å²	64.9	10%	0.103	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	127.6	-179.1	-57.8	135.5	0	0	0	108.2	G96 T97 Y99 I133 A188 L191	I94-G96 PolarHBondContact O-N 3.26Å; I94-T97 PolarHBondContact N-O 2.98Å; I94-T97 PolarHBondContact O-N 2.82Å; I94-Y99 HydrophobicContact CB-CD2 4.3Å; I94-Y99 HydrophobicContact CB-CE2 3.95Å; I94-Y99 HydrophobicContact CD1-CD2 3.72Å; I94-Y99 HydrophobicContact CD1-CE2 4.01Å; I94-I133 HydrophobicContact CD1-CD1 4.17Å; I94-A188 HydrophobicContact CD1-CB 3.68Å; I94-A188 WeakPolarHBondContact CD1-O 3.06Å; I94-A188 HydrophobicContact CG1-CB 3.96Å; I94-L191 HydrophobicContact CD1-CB 4.37Å; I94-L191 HydrophobicContact CD1-CD1 3.91Å; I94-L191 HydrophobicContact CD1-CG 4.33Å
95	S	83	Confident	82.3	Confident	123 Å²	123	59.2 Å²	59.2	86%	0.86	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	18.6	178.7	-54.5	0	0	0	0	115.6
96	G	84.2	Confident	84.9	Confident	70 Å²	70	57.8 Å²	57.8	72%	0.722	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.9	-11.4	-176.5	0	0	0	0	0	114.9	I94	I94-G96 PolarHBondContact O-N 3.26Å
97	T	89.1	Confident	87.1	Confident	56 Å²	56	52.2 Å²	52.2	34%	0.344	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	133.5	174.6	-55.6	0	0	0	0	110	I93 I94 Y99 I194	I93-T97 CarbonylContact C-O 3.35Å; I93-T97 WeakPolarHBondContact CA-O 3.34Å; I94-T97 PolarHBondContact N-O 2.98Å; I94-T97 PolarHBondContact O-N 2.82Å; T97-Y99 HydrophobicContact CG2-CD1 4.46Å; T97-Y99 HydrophobicContact CG2-CD2 4.1Å; T97-Y99 HydrophobicContact CG2-CE1 4.08Å; T97-Y99 HydrophobicContact CG2-CE2 3.65Å; T97-Y99 WeakPolarHBondContact O-CD2 3.21Å; T97-I194 HydrophobicContact CG2-CD1 3.72Å; T97-I194 HydrophobicContact CG2-CG1 4.06Å
98	E	91.5	Very high	88.6	Confident	89 Å²	89	52 Å²	52	42%	0.416	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	124.5	170.6	-173.6	169.9	-156.8	0	0	110.1	S91 I93	S91-E98 VanDerWaalsContact CB-OE1 3.29Å; S91-E98 WeakPolarHBondContact CB-OE1 3.37Å; S91-E98 PolarHBondContact OG-OE1 2.92Å; I93-E98 HydrophobicContact CG1-CB 4.01Å; I93-E98 HydrophobicContact CG1-CG 3.97Å
99	Y	93.3	Very high	89.6	Confident	3 Å²	3	50.1 Å²	50.1	1%	0.012	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	129.9	-178.7	-63.3	-92	0	0	0	109.9	S91 C92 I94 T97 V105 I123 L191 G193 I194	S91-Y99 CarbonylContact C-O 2.71Å; S91-Y99 WeakPolarHBondContact CA-O 3.43Å; S91-Y99 WeakPolarHBondContact CB-O 3.01Å; C92-Y99 PolarHBondContact N-O 3.37Å; C92-Y99 PolarHBondContact O-N 3.12Å; I94-Y99 HydrophobicContact CB-CD2 4.3Å; I94-Y99 HydrophobicContact CB-CE2 3.95Å; I94-Y99 HydrophobicContact CD1-CD2 3.72Å; I94-Y99 HydrophobicContact CD1-CE2 4.01Å; T97-Y99 HydrophobicContact CG2-CD1 4.46Å; T97-Y99 HydrophobicContact CG2-CD2 4.1Å; T97-Y99 HydrophobicContact CG2-CE1 4.08Å; T97-Y99 HydrophobicContact CG2-CE2 3.65Å; T97-Y99 WeakPolarHBondContact O-CD2 3.21Å; Y99-V105 HydrophobicContact CD1-CG1 3.49Å; Y99-V105 VanDerWaalsContact CD1-CG1 3.49Å; Y99-V105 HydrophobicContact CE1-CB 4.5Å; Y99-V105 HydrophobicContact CE1-CG1 3.77Å; Y99-I123 WeakPolarHBondContact O-CD1 3.08Å; Y99-L191 HydrophobicContact CD1-CD1 3.6Å; Y99-L191 HydrophobicContact CD2-CD1 4Å; Y99-L191 HydrophobicContact CE1-CB 4.11Å; Y99-L191 HydrophobicContact CE1-CD1 3.8Å; Y99-L191 HydrophobicContact CE2-CB 4.23Å; Y99-L191 HydrophobicContact CE2-CD1 4.2Å; Y99-L191 HydrophobicContact CG-CD1 3.66Å; Y99-G193 WeakPolarHBondContact OH-CA 3.11Å; Y99-G193 PolarHBondContact OH-N 2.97Å; Y99-I194 HydrophobicContact CD1-CD1 4.04Å; Y99-I194 HydrophobicContact CD1-CG1 3.58Å; Y99-I194 HydrophobicContact CE1-CD1 4.31Å; Y99-I194 HydrophobicContact CE1-CG1 3.52Å
100	H	92.6	Very high	89.7	Confident	79 Å²	79	53 Å²	53	37%	0.366	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	157.2	-177.1	-58.8	77.7	0	0	0	112.2	P90 G102 D103	P90-H100 WeakPolarHBondContact O-CA 3.45Å; H100-G102 PolarHBondContact O-N 3.49Å; H100-D103 WeakPolarHBondContact CB-OD2 3.36Å; H100-D103 IonicContact CG-OD2 3.46Å; H100-D103 PolarHBondContact N-OD2 2.77Å; H100-D103 IonicContact ND1-OD2 3.71Å; H100-D103 PolarHBondContact ND1-OD2 2.71Å; H100-D103 WeakPolarHBondContact O-CB 3.48Å; H100-D103 PolarHBondContact O-N 2.93Å; H100-D103 VanDerWaalsContact O-N 3.14Å
101	T	92.6	Very high	89.7	Confident	52 Å²	52	55.5 Å²	55.5	32%	0.319	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	118.5	164.1	-61.2	0	0	0	0	109.6	P90 E121	P90-T101 PolarHBondContact O-N 3.41Å; T101-E121 VanDerWaalsContact CG2-O 3.31Å; T101-E121 WeakPolarHBondContact CG2-O 3.27Å
102	G	92.3	Very high	89.3	Confident	44 Å²	44	58.5 Å²	58.5	45%	0.454	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	110.2	-11.2	-172.7	0	0	0	0	0	115.2	H100 L119 I120	H100-G102 PolarHBondContact O-N 3.49Å; G102-L119 VanDerWaalsContact O-CD1 3.22Å; G102-L119 WeakPolarHBondContact O-CD1 3.44Å; G102-I120 PolarHBondContact N-O 2.81Å
103	D	95	Very high	89.1	Confident	42 Å²	42	66.8 Å²	66.8	23%	0.225	39%	0.385	C	S	.	.			trans	-76.4	144.2	177.5	-71.6	-20.2	0	0	0	112	H100 V105 I120	H100-D103 WeakPolarHBondContact CB-OD2 3.36Å; H100-D103 IonicContact CG-OD2 3.46Å; H100-D103 PolarHBondContact N-OD2 2.77Å; H100-D103 IonicContact ND1-OD2 3.71Å; H100-D103 PolarHBondContact ND1-OD2 2.71Å; H100-D103 WeakPolarHBondContact O-CB 3.48Å; H100-D103 PolarHBondContact O-N 2.93Å; H100-D103 VanDerWaalsContact O-N 3.14Å; D103-V105 HydrophobicContact CB-CG1 4.41Å; D103-I120 PolarHBondContact O-N 2.82Å
104	F	95.3	Very high	89.1	Confident	47 Å²	47	63.9 Å²	63.9	21%	0.206	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	135.3	165.7	-56.7	-77.5	0	0	0	109.9	G118 L119 F138 I194 C195 V197	F104-G118 CarbonylContact C-O 3.1Å; F104-G118 VanDerWaalsContact CA-O 3.29Å; F104-G118 WeakPolarHBondContact CA-O 3.23Å; F104-L119 HydrophobicContact CD1-CB 3.91Å; F104-L119 HydrophobicContact CD1-CD1 3.95Å; F104-L119 HydrophobicContact CE1-CB 3.98Å; F104-L119 HydrophobicContact CE1-CD1 3.81Å; F104-L119 HydrophobicContact CE1-CD2 4.48Å; F104-L119 HydrophobicContact CE1-CG 4.31Å; F104-L119 HydrophobicContact CZ-CD1 4.29Å; F104-F138 HydrophobicContact CD1-CE2 4.01Å; F104-F138 HydrophobicContact CD1-CZ 4.27Å; F104-F138 AromaticContact CE1-CE2 3.98Å; F104-F138 HydrophobicContact CE1-CE2 3.98Å; F104-F138 AromaticContact CE1-CZ 3.82Å; F104-F138 HydrophobicContact CE1-CZ 3.82Å; F104-I194 WeakPolarHBondContact O-CA 3.26Å; F104-I194 WeakPolarHBondContact O-CG2 3.4Å; F104-C195 PolarHBondContact O-N 2.94Å; F104-V197 HydrophobicContact CB-CB 4.48Å; F104-V197 HydrophobicContact CB-CG2 3.88Å; F104-V197 HydrophobicContact CD1-CB 3.7Å; F104-V197 HydrophobicContact CD1-CG2 3.75Å; F104-V197 HydrophobicContact CD2-CB 3.97Å; F104-V197 HydrophobicContact CD2-CG2 4.28Å; F104-V197 HydrophobicContact CE1-CB 3.77Å; F104-V197 HydrophobicContact CE1-CG1 4.38Å; F104-V197 HydrophobicContact CE1-CG2 4.33Å; F104-V197 HydrophobicContact CE2-CB 4.03Å; F104-V197 WeakPolarHBondContact CE2-O 3.35Å; F104-V197 HydrophobicContact CG-CB 3.79Å; F104-V197 HydrophobicContact CG-CG2 3.71Å; F104-V197 HydrophobicContact CZ-CB 3.93Å; F104-V197 WeakPolarHBondContact CZ-O 3.26Å
105	V	94.9	Very high	89.4	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	148	-170.2	-65	0	0	0	0	113	Y99 D103 I117 G118 I120 I135 L191 G193 I194	Y99-V105 HydrophobicContact CD1-CG1 3.49Å; Y99-V105 VanDerWaalsContact CD1-CG1 3.49Å; Y99-V105 HydrophobicContact CE1-CB 4.5Å; Y99-V105 HydrophobicContact CE1-CG1 3.77Å; D103-V105 HydrophobicContact CB-CG1 4.41Å; V105-I117 WeakPolarHBondContact O-CA 3.45Å; V105-G118 PolarHBondContact N-O 2.74Å; V105-G118 PolarHBondContact O-N 3.46Å; V105-I120 HydrophobicContact CG1-CD1 3.78Å; V105-I120 HydrophobicContact CG1-CG1 4.09Å; V105-I120 HydrophobicContact CG2-CD1 4.36Å; V105-I120 HydrophobicContact CG2-CG1 3.95Å; V105-I135 HydrophobicContact CG2-CD1 4.06Å; V105-L191 HydrophobicContact CB-CD2 4.16Å; V105-L191 HydrophobicContact CG1-CD1 4.37Å; V105-L191 HydrophobicContact CG2-CD2 3.76Å; V105-G193 WeakPolarHBondContact CA-O 3Å; V105-I194 HydrophobicContact CG1-CG1 4.5Å
106	Y	94.9	Very high	89.8	Confident	29 Å²	29	63.2 Å²	63.2	11%	0.114	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	129.1	161.9	-66.8	-51.1	0	0	0	109.8	Y115 T116 I117 R192 G193 C195 D216 F218	Y106-Y115 HydrophobicContact CD1-CD2 4.44Å; Y106-Y115 HydrophobicContact CD2-CD2 4.47Å; Y106-Y115 HydrophobicContact CG-CD2 4.1Å; Y106-T116 WeakPolarHBondContact CA-O 3.44Å; Y106-I117 HydrophobicContact CD1-CD1 4.48Å; Y106-I117 HydrophobicContact CD1-CG1 3.81Å; Y106-I117 HydrophobicContact CE1-CD1 4.06Å; Y106-I117 HydrophobicContact CE1-CG1 3.89Å; Y106-R192 PolarHBondContact O-N 2.97Å; Y106-G193 PolarHBondContact N-O 3.21Å; Y106-C195 HydrophobicContact CD2-CB 4.37Å; Y106-C195 HydrophobicContact CE1-CB 4.09Å; Y106-C195 HydrophobicContact CE2-CB 3.97Å; Y106-D216 HydrophobicContact CE2-CB 4.35Å; Y106-D216 VanDerWaalsContact CE2-OD1 3.22Å; Y106-D216 WeakPolarHBondContact CE2-OD1 3.35Å; Y106-D216 PolarHBondContact OH-OD1 3.28Å; Y106-F218 AromaticContact CE1-CE2 3.82Å; Y106-F218 HydrophobicContact CE1-CE2 3.82Å; Y106-F218 AromaticContact CE1-CZ 3.98Å; Y106-F218 HydrophobicContact CE1-CZ 3.98Å; Y106-F218 AromaticContact CZ-CE2 3.92Å; Y106-F218 VanDerWaalsContact OH-CE2 3.32Å; Y106-F218 WeakPolarHBondContact OH-CE2 3.4Å
107	Y	93.4	Very high	90.3	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	161.4	171.1	69.5	-92.1	0	0	0	112.4	E109 Y115 T116 I135 C137 E184 L186 Q190	Y107-E109 HydrophobicContact CD2-CG 4.23Å; Y107-E109 HydrophobicContact CE2-CG 3.82Å; Y107-E109 VanDerWaalsContact CE2-OE1 3.28Å; Y107-E109 WeakPolarHBondContact CE2-OE1 3.35Å; Y107-Y115 CarbonylContact O-C 3.03Å; Y107-Y115 VanDerWaalsContact O-CA 3.29Å; Y107-Y115 WeakPolarHBondContact O-CA 3.48Å; Y107-Y115 WeakPolarHBondContact O-CB 3.48Å; Y107-T116 WeakPolarHBondContact CD1-O 3.35Å; Y107-T116 HydrophobicContact CE1-CG2 3.71Å; Y107-T116 HydrophobicContact CE2-CG2 3.94Å; Y107-T116 VanDerWaalsContact CZ-CG2 3.41Å; Y107-T116 PolarHBondContact N-O 3.08Å; Y107-T116 PolarHBondContact O-N 3.21Å; Y107-T116 WeakPolarHBondContact OH-CG2 3.42Å; Y107-I135 HydrophobicContact CD1-CD1 4.43Å; Y107-I135 HydrophobicContact CD1-CG2 4.33Å; Y107-I135 HydrophobicContact CE1-CG2 3.89Å; Y107-C137 PolarHBondContact OH-SG 2.76Å; Y107-E184 PolarHBondContact OH-OE2 3.23Å; Y107-L186 HydrophobicContact CD1-CD1 4.14Å; Y107-L186 HydrophobicContact CD2-CD1 3.2Å; Y107-L186 HydrophobicContact CE2-CD1 3.62Å; Y107-L186 HydrophobicContact CG-CD1 3.45Å; Y107-L186 VanDerWaalsContact CG-CD1 3.45Å; Y107-Q190 VanDerWaalsContact CA-O 3.27Å; Y107-Q190 WeakPolarHBondContact CA-O 3.3Å
108	E	92.3	Very high	90.6	Very high	75 Å²	75	57.2 Å²	57.2	35%	0.35	30%	0.296	S	S	.	.			trans	-108.8	112.3	-175.8	-177.9	-179.5	165.3	0	0	111.2	Q190 R192	E108-Q190 PolarHBondContact N-O 3.46Å; E108-Q190 VanDerWaalsContact N-O 3.12Å; E108-Q190 PolarHBondContact O-NE2 3.07Å; E108-R192 HydrophobicContact CB-CG 4.38Å; E108-R192 IonicContact OE1-NH2 3.91Å; E108-R192 IonicContact OE2-CZ 2.72Å; E108-R192 IonicContact OE2-NE 2.64Å; E108-R192 PolarHBondContact OE2-NE 3.31Å; E108-R192 IonicContact OE2-NH2 2.73Å; E108-R192 PolarHBondContact OE2-NH2 3.29Å
109	E	87.9	Confident	90.8	Very high	46 Å²	46	54.8 Å²	54.8	22%	0.215	29%	0.285	C	S	.	.			trans	-92	142.9	160.9	-78.2	169.2	-101.6	0	0	109.2	Y107 D111 F112 T116	Y107-E109 HydrophobicContact CD2-CG 4.23Å; Y107-E109 HydrophobicContact CE2-CG 3.82Å; Y107-E109 VanDerWaalsContact CE2-OE1 3.28Å; Y107-E109 WeakPolarHBondContact CE2-OE1 3.35Å; E109-D111 PolarHBondContact O-N 3.48Å; E109-D111 VanDerWaalsContact O-N 3.17Å; E109-F112 HydrophobicContact CB-CD2 3.73Å; E109-F112 HydrophobicContact CB-CE2 4.23Å; E109-F112 WeakPolarHBondContact OE2-CE2 3.41Å; E109-T116 WeakPolarHBondContact OE1-CB 3.49Å; E109-T116 VanDerWaalsContact OE1-CG2 3.27Å; E109-T116 WeakPolarHBondContact OE1-CG2 3.45Å; E109-T116 PolarHBondContact OE1-OG1 2.89Å
110	P	78.3	Confident	90.9	Very high	111 Å²	111	54.7 Å²	54.7	72%	0.721	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-10.2	-168.2	29.4	-36.2	0	0	0	115
111	D	80	Confident	90.9	Very high	140 Å²	140	53.4 Å²	53.4	75%	0.749	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.7	13	-169.2	-50.7	-51	0	0	0	113.4	E109	E109-D111 PolarHBondContact O-N 3.48Å; E109-D111 VanDerWaalsContact O-N 3.17Å
112	F	82.1	Confident	90.9	Very high	87 Å²	87	53.3 Å²	53.3	38%	0.382	28%	0.275	S	S	.	.			trans	-130.8	134.2	-174	-67.3	-81.9	0	0	0	114.3	E109 Y114	E109-F112 HydrophobicContact CB-CD2 3.73Å; E109-F112 HydrophobicContact CB-CE2 4.23Å; E109-F112 WeakPolarHBondContact OE2-CE2 3.41Å; F112-Y114 HydrophobicContact CB-CE1 4.39Å; F112-Y114 HydrophobicContact CB-CE2 4.33Å; F112-Y114 AromaticContact CD1-CE1 3.91Å; F112-Y114 HydrophobicContact CD1-CE1 3.91Å; F112-Y114 HydrophobicContact CD1-CE2 4.11Å; F112-Y114 AromaticContact CD1-CZ 3.46Å; F112-Y114 VanDerWaalsContact CD1-CZ 3.46Å; F112-Y114 WeakPolarHBondContact CD1-OH 3.09Å; F112-Y114 VanDerWaalsContact CE1-OH 3.31Å; F112-Y114 WeakPolarHBondContact CE1-OH 3.45Å; F112-Y114 HydrophobicContact CG-CE2 4.38Å; F112-Y114 PolarHBondContact O-N 3.22Å
113	D	84.4	Confident	91	Very high	177 Å²	177	51.2 Å²	51.2	95%	0.947	25%	0.254	S	S	*	.	S	Bend	trans	-65.9	4.8	174.6	-65.1	-43.4	0	0	0	114.8
114	Y	87.7	Confident	90.7	Very high	51 Å²	51	52.3 Å²	52.3	20%	0.2	26%	0.256	C	S	.	.	S	Bend	trans	-150	152.9	-173.5	58.1	-99.4	0	0	0	111	F112 T116 R140 H142 D143	F112-Y114 HydrophobicContact CB-CE1 4.39Å; F112-Y114 HydrophobicContact CB-CE2 4.33Å; F112-Y114 AromaticContact CD1-CE1 3.91Å; F112-Y114 HydrophobicContact CD1-CE1 3.91Å; F112-Y114 HydrophobicContact CD1-CE2 4.11Å; F112-Y114 AromaticContact CD1-CZ 3.46Å; F112-Y114 VanDerWaalsContact CD1-CZ 3.46Å; F112-Y114 WeakPolarHBondContact CD1-OH 3.09Å; F112-Y114 VanDerWaalsContact CE1-OH 3.31Å; F112-Y114 WeakPolarHBondContact CE1-OH 3.45Å; F112-Y114 HydrophobicContact CG-CE2 4.38Å; F112-Y114 PolarHBondContact O-N 3.22Å; Y114-T116 PolarHBondContact O-N 2.96Å; Y114-R140 VanDerWaalsContact CD2-NE 3.3Å; Y114-H142 AromaticContact CE1-CE1 3.86Å; Y114-H142 AromaticContact CE1-NE2 3.37Å; Y114-H142 WeakPolarHBondContact CE1-NE2 3.25Å; Y114-H142 AromaticContact CZ-CE1 3.95Å; Y114-H142 AromaticContact CZ-NE2 3.31Å; Y114-H142 VanDerWaalsContact CZ-NE2 3.31Å; Y114-H142 PolarHBondContact OH-NE2 3.05Å; Y114-D143 PolarHBondContact OH-OD1 3.2Å
115	Y	92	Very high	90.4	Very high	116 Å²	116	52.3 Å²	52.3	46%	0.455	26%	0.26	S	S	.	.			trans	-68.2	127.8	173.6	-52.8	-41.6	0	0	0	111.5	Y106 Y107 R140 R192	Y106-Y115 HydrophobicContact CD1-CD2 4.44Å; Y106-Y115 HydrophobicContact CD2-CD2 4.47Å; Y106-Y115 HydrophobicContact CG-CD2 4.1Å; Y107-Y115 CarbonylContact O-C 3.03Å; Y107-Y115 VanDerWaalsContact O-CA 3.29Å; Y107-Y115 WeakPolarHBondContact O-CA 3.48Å; Y107-Y115 WeakPolarHBondContact O-CB 3.48Å; Y115-R140 PolarHBondContact O-NH2 3.35Å; Y115-R192 HydrophobicContact CD1-CG 4.21Å; Y115-R192 HydrophobicContact CE1-CB 4.36Å; Y115-R192 HydrophobicContact CE1-CG 3.96Å; Y115-R192 HydrophobicContact CE2-CB 4.37Å
116	T	92.6	Very high	89.7	Confident	13 Å²	13	54.7 Å²	54.7	8%	0.08	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	150.3	167.4	-48.9	0	0	0	0	109.1	Y106 Y107 E109 Y114	Y106-T116 WeakPolarHBondContact CA-O 3.44Å; Y107-T116 WeakPolarHBondContact CD1-O 3.35Å; Y107-T116 HydrophobicContact CE1-CG2 3.71Å; Y107-T116 HydrophobicContact CE2-CG2 3.94Å; Y107-T116 VanDerWaalsContact CZ-CG2 3.41Å; Y107-T116 PolarHBondContact N-O 3.08Å; Y107-T116 PolarHBondContact O-N 3.21Å; Y107-T116 WeakPolarHBondContact OH-CG2 3.42Å; E109-T116 WeakPolarHBondContact OE1-CB 3.49Å; E109-T116 VanDerWaalsContact OE1-CG2 3.27Å; E109-T116 WeakPolarHBondContact OE1-CG2 3.45Å; E109-T116 PolarHBondContact OE1-OG1 2.89Å; Y114-T116 PolarHBondContact O-N 2.96Å
117	I	94.6	Very high	88.9	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.005	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	133.5	-177.2	-64.7	166	0	0	0	108.3	V105 Y106 F138 L177 V197 F218	V105-I117 WeakPolarHBondContact O-CA 3.45Å; Y106-I117 HydrophobicContact CD1-CD1 4.48Å; Y106-I117 HydrophobicContact CD1-CG1 3.81Å; Y106-I117 HydrophobicContact CE1-CD1 4.06Å; Y106-I117 HydrophobicContact CE1-CG1 3.89Å; I117-F138 HydrophobicContact CB-CB 4.4Å; I117-F138 HydrophobicContact CG2-CB 4.39Å; I117-F138 HydrophobicContact CG2-CD2 4.34Å; I117-F138 WeakPolarHBondContact O-CB 3.08Å; I117-F138 PolarHBondContact O-N 2.77Å; I117-L177 HydrophobicContact CB-CD1 4.2Å; I117-L177 HydrophobicContact CD1-CD1 3.8Å; I117-L177 HydrophobicContact CD1-CD2 4.11Å; I117-L177 HydrophobicContact CG2-CD1 3.8Å; I117-V197 HydrophobicContact CG2-CG2 3.86Å; I117-F218 HydrophobicContact CD1-CD1 4Å; I117-F218 HydrophobicContact CD1-CD2 4Å; I117-F218 HydrophobicContact CD1-CE1 3.68Å; I117-F218 HydrophobicContact CD1-CE2 3.67Å; I117-F218 HydrophobicContact CD1-CG 4.16Å; I117-F218 HydrophobicContact CD1-CZ 3.5Å
118	G	94.5	Very high	88.3	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	158.1	-177.7	0	0	0	0	0	113.3	F104 V105 I135 K136	F104-G118 CarbonylContact C-O 3.1Å; F104-G118 VanDerWaalsContact CA-O 3.29Å; F104-G118 WeakPolarHBondContact CA-O 3.23Å; V105-G118 PolarHBondContact N-O 2.74Å; V105-G118 PolarHBondContact O-N 3.46Å; G118-I135 VanDerWaalsContact CA-CG2 3.47Å; G118-K136 CarbonylContact C-O 3.57Å; G118-K136 VanDerWaalsContact CA-O 3.25Å; G118-K136 WeakPolarHBondContact CA-O 3.44Å
119	L	95.7	Very high	87.3	Confident	37 Å²	37	67 Å²	67	19%	0.194	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	127.2	168.7	170.4	68.1	0	0	0	109	G102 F104 E121 I135 K136 F138	G102-L119 VanDerWaalsContact O-CD1 3.22Å; G102-L119 WeakPolarHBondContact O-CD1 3.44Å; F104-L119 HydrophobicContact CD1-CB 3.91Å; F104-L119 HydrophobicContact CD1-CD1 3.95Å; F104-L119 HydrophobicContact CE1-CB 3.98Å; F104-L119 HydrophobicContact CE1-CD1 3.81Å; F104-L119 HydrophobicContact CE1-CD2 4.48Å; F104-L119 HydrophobicContact CE1-CG 4.31Å; F104-L119 HydrophobicContact CZ-CD1 4.29Å; L119-E121 HydrophobicContact CD2-CG 4.43Å; L119-E121 HydrophobicContact CG-CG 4.45Å; L119-E121 PolarHBondContact O-N 3.18Å; L119-I135 CarbonylContact O-C 3.18Å; L119-I135 VanDerWaalsContact O-CA 3.32Å; L119-I135 WeakPolarHBondContact O-CA 3.47Å; L119-K136 HydrophobicContact CB-CB 4.37Å; L119-K136 PolarHBondContact N-O 3.27Å; L119-K136 PolarHBondContact O-N 2.73Å; L119-F138 HydrophobicContact CB-CE2 4.02Å
120	I	95.1	Very high	87.1	Confident	1 Å²	1	71 Å²	71	1%	0.005	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	111.2	171.5	-61.1	-177.3	0	0	0	109	G102 D103 V105 I123 I133 I135 L191	G102-I120 PolarHBondContact N-O 2.81Å; D103-I120 PolarHBondContact O-N 2.82Å; V105-I120 HydrophobicContact CG1-CD1 3.78Å; V105-I120 HydrophobicContact CG1-CG1 4.09Å; V105-I120 HydrophobicContact CG2-CD1 4.36Å; V105-I120 HydrophobicContact CG2-CG1 3.95Å; I120-I123 HydrophobicContact CG2-CD1 4.12Å; I120-I123 HydrophobicContact CG2-CG1 3.68Å; I120-I133 HydrophobicContact CB-CG2 4.35Å; I120-I133 HydrophobicContact CD1-CG2 4.01Å; I120-I133 HydrophobicContact CG1-CG2 3.87Å; I120-I133 HydrophobicContact CG2-CG2 3.76Å; I120-I135 HydrophobicContact CG1-CG1 4.5Å; I120-L191 HydrophobicContact CD1-CD1 4.1Å
121	E	93.8	Very high	87.5	Confident	53 Å²	53	68.9 Å²	68.9	25%	0.248	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-24.5	174.9	-65.3	-162.1	141	0	0	112.8	T101 L119 F134 K136 Q183	T101-E121 VanDerWaalsContact CG2-O 3.31Å; T101-E121 WeakPolarHBondContact CG2-O 3.27Å; L119-E121 HydrophobicContact CD2-CG 4.43Å; L119-E121 HydrophobicContact CG-CG 4.45Å; L119-E121 PolarHBondContact O-N 3.18Å; E121-F134 PolarHBondContact N-O 2.79Å; E121-K136 HydrophobicContact CG-CB 3.93Å; E121-K136 IonicContact OE1-NZ 3.04Å; E121-K136 PolarHBondContact OE1-NZ 3.47Å; E121-K136 IonicContact OE2-NZ 3.87Å; E121-Q183 PolarHBondContact OE2-NE2 3.12Å
122	E	92.9	Very high	88	Confident	50 Å²	50	63.8 Å²	63.8	23%	0.234	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	142.7	173.8	167.4	168.3	-147.2	0	0	112.6	H88 K124 F134	H88-E122 IonicContact CE1-OE1 3.79Å; H88-E122 IonicContact CG-OE1 3.55Å; H88-E122 WeakPolarHBondContact ND1-CG 3.24Å; H88-E122 IonicContact ND1-OE1 3.76Å; H88-E122 PolarHBondContact ND1-OE1 2.76Å; E122-K124 VanDerWaalsContact CD-CE 3.46Å; E122-K124 HydrophobicContact CG-CG 3.84Å; E122-K124 WeakPolarHBondContact OE1-CE 3.26Å; E122-K124 IonicContact OE1-NZ 3.74Å; E122-K124 VanDerWaalsContact OE2-CE 3.27Å; E122-K124 WeakPolarHBondContact OE2-CE 3.4Å; E122-K124 IonicContact OE2-NZ 3.49Å; E122-K124 PolarHBondContact OE2-NZ 3.28Å; E122-F134 HydrophobicContact CB-CB 4.16Å; E122-F134 HydrophobicContact CB-CD2 4.47Å; E122-F134 HydrophobicContact CG-CD2 4.33Å; E122-F134 PolarHBondContact N-O 2.77Å; E122-F134 PolarHBondContact O-N 3.22Å
123	I	93.5	Very high	88.5	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	116.4	169.6	-60.2	161.5	0	0	0	108.9	V89 C92 Y99 I120 F131 I133	V89-I123 PolarHBondContact N-O 3.49Å; V89-I123 WeakPolarHBondContact O-CB 3.4Å; C92-I123 HydrophobicContact CB-CG2 4.03Å; Y99-I123 WeakPolarHBondContact O-CD1 3.08Å; I120-I123 HydrophobicContact CG2-CD1 4.12Å; I120-I123 HydrophobicContact CG2-CG1 3.68Å; I123-F131 HydrophobicContact CG2-CD1 3.89Å; I123-I133 HydrophobicContact CG1-CG2 4.21Å
124	K	90	Very high	88.9	Confident	65 Å²	65	53.3 Å²	53.3	28%	0.283	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	138.6	173.1	-61.1	-165.9	-177.5	72.1	0	111	E122 S132 F134	E122-K124 VanDerWaalsContact CD-CE 3.46Å; E122-K124 HydrophobicContact CG-CG 3.84Å; E122-K124 WeakPolarHBondContact OE1-CE 3.26Å; E122-K124 IonicContact OE1-NZ 3.74Å; E122-K124 VanDerWaalsContact OE2-CE 3.27Å; E122-K124 WeakPolarHBondContact OE2-CE 3.4Å; E122-K124 IonicContact OE2-NZ 3.49Å; E122-K124 PolarHBondContact OE2-NZ 3.28Å; K124-S132 PolarHBondContact N-O 2.91Å; K124-S132 PolarHBondContact O-N 2.85Å; K124-S132 PolarHBondContact O-OG 3.34Å; K124-F134 HydrophobicContact CB-CE2 4.15Å; K124-F134 HydrophobicContact CD-CD2 4.4Å; K124-F134 HydrophobicContact CD-CE2 3.61Å; K124-F134 HydrophobicContact CD-CZ 4.1Å; K124-F134 HydrophobicContact CG-CD2 4.11Å; K124-F134 HydrophobicContact CG-CE2 3.69Å
125	V	87.8	Confident	89.3	Confident	47 Å²	47	50.9 Å²	50.9	29%	0.285	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	121.2	170.1	170.3	0	0	0	0	110.4	V89 F131	V89-V125 HydrophobicContact CB-CG2 4.2Å; V89-V125 HydrophobicContact CG2-CB 4.15Å; V89-V125 HydrophobicContact CG2-CG2 3.53Å; V125-F131 HydrophobicContact CG2-CD1 3.44Å; V125-F131 VanDerWaalsContact CG2-CD1 3.44Å; V125-F131 HydrophobicContact CG2-CE1 3.37Å; V125-F131 HydrophobicContact CG2-CG 4.28Å; V125-F131 HydrophobicContact CG2-CZ 4.15Å
126	S	80.3	Confident	89.4	Confident	50 Å²	50	46.7 Å²	46.7	35%	0.35	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	151.5	168.3	-166.2	0	0	0	0	110.6	R128 D129 K130	S126-R128 PolarHBondContact O-N 3.02Å; S126-D129 PolarHBondContact O-N 3.42Å; S126-D129 VanDerWaalsContact O-N 3.08Å; S126-K130 WeakPolarHBondContact CB-O 3.44Å; S126-K130 PolarHBondContact N-O 3.4Å
127	R	77.8	Confident	89.4	Confident	128 Å²	128	46.2 Å²	46.2	48%	0.483	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	21.3	177.8	-58.3	177.9	175.8	179.6	-5.4	116	M2130 P2348	R127-M2130 PolarHBondContact NH1-SD 2.95Å; R127-P2348 HydrophobicContact CB-CG 4.25Å
128	R	80.6	Confident	89.3	Confident	92 Å²	92	46.4 Å²	46.4	35%	0.347	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.4	15.4	174.8	-44.7	-171.9	-148.8	-142.6	-178.5	111.4	S126 K130 G2346 L2347 P2348	S126-R128 PolarHBondContact O-N 3.02Å; R128-K130 HydrophobicContact CB-CB 4.42Å; R128-K130 HydrophobicContact CB-CD 4.33Å; R128-K130 HydrophobicContact CB-CG 4.05Å; R128-K130 PolarHBondContact O-N 3.42Å; R128-G2346 VanDerWaalsContact NH1-C 3.35Å; R128-G2346 PolarHBondContact NH1-O 2.99Å; R128-L2347 VanDerWaalsContact CZ-C 3.45Å; R128-L2347 PolarHBondContact NH1-O 3.01Å; R128-L2347 PolarHBondContact NH2-O 3.45Å; R128-P2348 HydrophobicContact CG-CB 3.79Å; R128-P2348 HydrophobicContact CG-CG 3.71Å
129	D	72	Confident	89.2	Confident	141 Å²	141	49.1 Å²	49.1	75%	0.754	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.2	36.2	-165.1	-50.5	-35	0	0	0	112.7	S126	S126-D129 PolarHBondContact O-N 3.42Å; S126-D129 VanDerWaalsContact O-N 3.08Å
130	K	82.6	Confident	89	Confident	132 Å²	132	50.1 Å²	50.1	57%	0.574	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-104.2	112.1	174.9	-72.7	-171.6	-178.8	-169.6	0	109.2	S126 R128	S126-K130 WeakPolarHBondContact CB-O 3.44Å; S126-K130 PolarHBondContact N-O 3.4Å; R128-K130 HydrophobicContact CB-CB 4.42Å; R128-K130 HydrophobicContact CB-CD 4.33Å; R128-K130 HydrophobicContact CB-CG 4.05Å; R128-K130 PolarHBondContact O-N 3.42Å
131	F	87.8	Confident	88.7	Confident	65 Å²	65	51.9 Å²	51.9	29%	0.285	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	129.1	171.9	-60.9	-92	0	0	0	110.6	C92 I123 V125 A188	C92-F131 HydrophobicContact CB-CB 4.4Å; C92-F131 HydrophobicContact CB-CD1 3.29Å; C92-F131 HydrophobicContact CB-CD2 4.31Å; C92-F131 HydrophobicContact CB-CE1 3.44Å; C92-F131 VanDerWaalsContact CB-CE1 3.44Å; C92-F131 HydrophobicContact CB-CE2 4.44Å; C92-F131 HydrophobicContact CB-CG 3.76Å; C92-F131 HydrophobicContact CB-CZ 4.04Å; I123-F131 HydrophobicContact CG2-CD1 3.89Å; V125-F131 HydrophobicContact CG2-CD1 3.44Å; V125-F131 VanDerWaalsContact CG2-CD1 3.44Å; V125-F131 HydrophobicContact CG2-CE1 3.37Å; V125-F131 HydrophobicContact CG2-CG 4.28Å; V125-F131 HydrophobicContact CG2-CZ 4.15Å; F131-A188 HydrophobicContact CB-CB 3.6Å; F131-A188 WeakPolarHBondContact O-CB 3.26Å; F131-A188 PolarHBondContact O-N 2.99Å; F131-A188 VanDerWaalsContact O-N 3.15Å
132	S	90.1	Very high	88.3	Confident	33 Å²	33	54.4 Å²	54.4	23%	0.231	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	121.3	171.4	51.6	0	0	0	0	108.5	K124	K124-S132 PolarHBondContact N-O 2.91Å; K124-S132 PolarHBondContact O-N 2.85Å; K124-S132 PolarHBondContact O-OG 3.34Å
133	I	92.9	Very high	88	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	127	-167.5	-51	-175.4	0	0	0	108.4	I94 I120 I123 I135 T185 L186 A188 L191	I94-I133 HydrophobicContact CD1-CD1 4.17Å; I120-I133 HydrophobicContact CB-CG2 4.35Å; I120-I133 HydrophobicContact CD1-CG2 4.01Å; I120-I133 HydrophobicContact CG1-CG2 3.87Å; I120-I133 HydrophobicContact CG2-CG2 3.76Å; I123-I133 HydrophobicContact CG1-CG2 4.21Å; I133-I135 HydrophobicContact CB-CD1 4.43Å; I133-I135 HydrophobicContact CB-CG1 4.31Å; I133-I135 HydrophobicContact CG2-CD1 3.97Å; I133-I135 HydrophobicContact CG2-CG1 3.66Å; I133-T185 CarbonylContact O-C 3.22Å; I133-T185 WeakPolarHBondContact O-CA 3.37Å; I133-L186 PolarHBondContact N-O 3.08Å; I133-L186 PolarHBondContact O-N 2.73Å; I133-A188 HydrophobicContact CD1-CB 3.84Å; I133-A188 HydrophobicContact CG1-CB 4.22Å; I133-L191 HydrophobicContact CD1-CD1 3.49Å; I133-L191 VanDerWaalsContact CD1-CD1 3.49Å; I133-L191 HydrophobicContact CD1-CG 3.97Å
134	F	94	Very high	87.7	Confident	45 Å²	45	54.5 Å²	54.5	20%	0.197	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	115.7	177	-68.7	-100.8	0	0	0	107.9	E121 E122 K124 E184 T185	E121-F134 PolarHBondContact N-O 2.79Å; E122-F134 HydrophobicContact CB-CB 4.16Å; E122-F134 HydrophobicContact CB-CD2 4.47Å; E122-F134 HydrophobicContact CG-CD2 4.33Å; E122-F134 PolarHBondContact N-O 2.77Å; E122-F134 PolarHBondContact O-N 3.22Å; K124-F134 HydrophobicContact CB-CE2 4.15Å; K124-F134 HydrophobicContact CD-CD2 4.4Å; K124-F134 HydrophobicContact CD-CE2 3.61Å; K124-F134 HydrophobicContact CD-CZ 4.1Å; K124-F134 HydrophobicContact CG-CD2 4.11Å; K124-F134 HydrophobicContact CG-CE2 3.69Å; F134-E184 WeakPolarHBondContact CA-O 3.35Å; F134-T185 HydrophobicContact CD1-CG2 4.5Å; F134-T185 WeakPolarHBondContact CD1-OG1 3.24Å; F134-T185 HydrophobicContact CE1-CG2 4.04Å; F134-T185 VanDerWaalsContact CE1-OG1 3.24Å; F134-T185 WeakPolarHBondContact CE1-OG1 3.22Å; F134-T185 HydrophobicContact CE2-CG2 4.03Å; F134-T185 HydrophobicContact CZ-CG2 3.76Å
135	I	94.2	Very high	87.5	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	131.4	-169.2	-59.7	-172	0	0	0	109.7	V105 Y107 G118 L119 I120 I133 Q183 E184 L186 L191	V105-I135 HydrophobicContact CG2-CD1 4.06Å; Y107-I135 HydrophobicContact CD1-CD1 4.43Å; Y107-I135 HydrophobicContact CD1-CG2 4.33Å; Y107-I135 HydrophobicContact CE1-CG2 3.89Å; G118-I135 VanDerWaalsContact CA-CG2 3.47Å; L119-I135 CarbonylContact O-C 3.18Å; L119-I135 VanDerWaalsContact O-CA 3.32Å; L119-I135 WeakPolarHBondContact O-CA 3.47Å; I120-I135 HydrophobicContact CG1-CG1 4.5Å; I133-I135 HydrophobicContact CB-CD1 4.43Å; I133-I135 HydrophobicContact CB-CG1 4.31Å; I133-I135 HydrophobicContact CG2-CD1 3.97Å; I133-I135 HydrophobicContact CG2-CG1 3.66Å; I135-Q183 CarbonylContact O-C 3.57Å; I135-Q183 VanDerWaalsContact O-CA 3.31Å; I135-Q183 WeakPolarHBondContact O-CA 3.34Å; I135-E184 PolarHBondContact N-O 2.7Å; I135-E184 PolarHBondContact O-N 3.14Å; I135-L186 HydrophobicContact CD1-CB 4.48Å; I135-L186 HydrophobicContact CD1-CD1 3.72Å; I135-L186 HydrophobicContact CD1-CG 4.13Å; I135-L191 HydrophobicContact CD1-CD2 3.86Å
136	K	94.3	Very high	87.2	Confident	27 Å²	27	56.9 Å²	56.9	12%	0.117	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	119.8	171.8	-173.5	-163.3	-133.3	71.7	0	109.7	G118 L119 E121 V179 S180	G118-K136 CarbonylContact C-O 3.57Å; G118-K136 VanDerWaalsContact CA-O 3.25Å; G118-K136 WeakPolarHBondContact CA-O 3.44Å; L119-K136 HydrophobicContact CB-CB 4.37Å; L119-K136 PolarHBondContact N-O 3.27Å; L119-K136 PolarHBondContact O-N 2.73Å; E121-K136 HydrophobicContact CG-CB 3.93Å; E121-K136 IonicContact OE1-NZ 3.04Å; E121-K136 PolarHBondContact OE1-NZ 3.47Å; E121-K136 IonicContact OE2-NZ 3.87Å; K136-V179 HydrophobicContact CD-CG2 3.88Å; K136-S180 WeakPolarHBondContact CE-O 3.15Å; K136-S180 WeakPolarHBondContact CG-O 3.33Å
137	C	92.5	Very high	87.1	Confident	4 Å²	4	60.2 Å²	60.2	3%	0.027	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	145.3	-166.6	-35.7	0	0	0	0	112.7	Y107 S180 V182 E184	Y107-C137 PolarHBondContact OH-SG 2.76Å; C137-S180 WeakPolarHBondContact O-CB 3.16Å; C137-S180 PolarHBondContact O-N 3.26Å; C137-S180 VanDerWaalsContact O-N 3.08Å; C137-V182 PolarHBondContact N-O 2.99Å; C137-E184 PolarHBondContact SG-OE1 2.87Å
138	F	94.3	Very high	87.3	Confident	5 Å²	5	54.5 Å²	54.5	2%	0.022	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	123.9	170.9	-73	-98.6	0	0	0	110.9	F104 I117 L119 L177 F178 V179 V197 Y220	F104-F138 HydrophobicContact CD1-CE2 4.01Å; F104-F138 HydrophobicContact CD1-CZ 4.27Å; F104-F138 AromaticContact CE1-CE2 3.98Å; F104-F138 HydrophobicContact CE1-CE2 3.98Å; F104-F138 AromaticContact CE1-CZ 3.82Å; F104-F138 HydrophobicContact CE1-CZ 3.82Å; I117-F138 HydrophobicContact CB-CB 4.4Å; I117-F138 HydrophobicContact CG2-CB 4.39Å; I117-F138 HydrophobicContact CG2-CD2 4.34Å; I117-F138 WeakPolarHBondContact O-CB 3.08Å; I117-F138 PolarHBondContact O-N 2.77Å; L119-F138 HydrophobicContact CB-CE2 4.02Å; F138-L177 HydrophobicContact CB-CB 4.24Å; F138-L177 HydrophobicContact CB-CD1 4.14Å; F138-L177 HydrophobicContact CD1-CB 3.98Å; F138-L177 HydrophobicContact CD1-CD1 4.36Å; F138-L177 HydrophobicContact CG-CD1 4.36Å; F138-F178 WeakPolarHBondContact CA-O 3.35Å; F138-V179 HydrophobicContact CD1-CB 4.08Å; F138-V179 HydrophobicContact CD1-CG2 4.49Å; F138-V179 HydrophobicContact CE1-CB 3.68Å; F138-V179 HydrophobicContact CE1-CG2 3.89Å; F138-V179 HydrophobicContact CZ-CB 4.29Å; F138-V179 HydrophobicContact CZ-CG2 3.99Å; F138-V197 HydrophobicContact CD1-CG1 4.3Å; F138-V197 HydrophobicContact CE1-CG1 3.83Å; F138-V197 HydrophobicContact CZ-CG1 4.09Å; F138-Y220 HydrophobicContact CE1-CD1 4.15Å; F138-Y220 HydrophobicContact CE1-CD2 4.12Å; F138-Y220 HydrophobicContact CE1-CE1 4.46Å; F138-Y220 HydrophobicContact CE1-CE2 4.44Å; F138-Y220 AromaticContact CE1-CG 3.97Å; F138-Y220 HydrophobicContact CE1-CG 3.97Å
139	Y	92.3	Very high	87.1	Confident	57 Å²	57	52 Å²	52	22%	0.224	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	140.4	174.1	-69.6	-87.2	0	0	0	110.7	D143 F178 Y224 P226	Y139-D143 HydrophobicContact CD1-CB 3.85Å; Y139-F178 PolarHBondContact N-O 2.98Å; Y139-F178 PolarHBondContact O-N 3.27Å; Y139-Y224 AromaticContact CD2-CD1 3.7Å; Y139-Y224 HydrophobicContact CD2-CD1 3.7Å; Y139-Y224 HydrophobicContact CD2-CE1 4.35Å; Y139-Y224 HydrophobicContact CE2-CD1 4.11Å; Y139-Y224 HydrophobicContact CE2-CE1 4.46Å; Y139-Y224 AromaticContact CG-CD1 3.94Å; Y139-Y224 HydrophobicContact CG-CD1 3.94Å; Y139-Y224 HydrophobicContact CG-CE1 4.39Å; Y139-P226 HydrophobicContact CE2-CG 4.37Å
140	R	90.9	Very high	86.8	Confident	57 Å²	57	52.3 Å²	52.3	22%	0.215	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	169.7	173.1	-56	179.5	172.8	-148.3	1.8	110.1	Y114 Y115 H142 D143 L177	Y114-R140 VanDerWaalsContact CD2-NE 3.3Å; Y115-R140 PolarHBondContact O-NH2 3.35Å; R140-H142 VanDerWaalsContact CD-CE1 3.48Å; R140-H142 WeakPolarHBondContact CD-CE1 3.09Å; R140-H142 PolarHBondContact O-N 2.91Å; R140-D143 WeakPolarHBondContact CA-OD2 3.17Å; R140-D143 VanDerWaalsContact CB-OD2 3.25Å; R140-D143 WeakPolarHBondContact CB-OD2 3.45Å; R140-D143 PolarHBondContact N-OD2 3.28Å; R140-D143 PolarHBondContact O-N 3.39Å; R140-L177 HydrophobicContact CG-CD2 3.88Å
141	T	87.8	Confident	85.6	Confident	38 Å²	38	48.6 Å²	48.6	23%	0.233	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-29	-178.8	-79.5	0	0	0	0	114	K149 R155	T141-K149 WeakPolarHBondContact O-CE 3.45Å; T141-K149 PolarHBondContact O-NZ 3.43Å; T141-K149 VanDerWaalsContact O-NZ 3.12Å; T141-R155 VanDerWaalsContact CG2-NH1 3.25Å; T141-R155 PolarHBondContact OG1-NH1 3.24Å; T141-R155 PolarHBondContact OG1-NH2 3.32Å
142	H	85.3	Confident	84.6	Confident	107 Å²	107	46 Å²	46	50%	0.495	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-34.1	-179.4	56.2	-94.2	0	0	0	113.6	Y114 R140 I144	Y114-H142 AromaticContact CE1-CE1 3.86Å; Y114-H142 AromaticContact CE1-NE2 3.37Å; Y114-H142 WeakPolarHBondContact CE1-NE2 3.25Å; Y114-H142 AromaticContact CZ-CE1 3.95Å; Y114-H142 AromaticContact CZ-NE2 3.31Å; Y114-H142 VanDerWaalsContact CZ-NE2 3.31Å; Y114-H142 PolarHBondContact OH-NE2 3.05Å; R140-H142 VanDerWaalsContact CD-CE1 3.48Å; R140-H142 WeakPolarHBondContact CD-CE1 3.09Å; R140-H142 PolarHBondContact O-N 2.91Å; H142-I144 PolarHBondContact O-N 3.49Å
143	D	87.6	Confident	83	Confident	50 Å²	50	48.3 Å²	48.3	27%	0.267	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-25.8	-178.1	-52.3	-45.7	0	0	0	113.6	Y114 Y139 R140	Y114-D143 PolarHBondContact OH-OD1 3.2Å; Y139-D143 HydrophobicContact CD1-CB 3.85Å; R140-D143 WeakPolarHBondContact CA-OD2 3.17Å; R140-D143 VanDerWaalsContact CB-OD2 3.25Å; R140-D143 WeakPolarHBondContact CB-OD2 3.45Å; R140-D143 PolarHBondContact N-OD2 3.28Å; R140-D143 PolarHBondContact O-N 3.39Å
144	I	87.7	Confident	81.4	Confident	2 Å²	2	51.2 Å²	51.2	1%	0.01	27%	0.268	C	S	.	.	S	Bend	trans	-75.9	128.6	-175.4	-65.4	167	0	0	0	109.3	H142 E146 K149 F178 Y224 L231	H142-I144 PolarHBondContact O-N 3.49Å; I144-E146 PolarHBondContact O-N 2.99Å; I144-K149 HydrophobicContact CG2-CG 3.98Å; I144-K149 WeakPolarHBondContact O-CE 3.43Å; I144-K149 PolarHBondContact O-NZ 3.01Å; I144-F178 HydrophobicContact CD1-CB 3.68Å; I144-F178 HydrophobicContact CD1-CD1 3.6Å; I144-F178 HydrophobicContact CD1-CD2 3.23Å; I144-F178 HydrophobicContact CD1-CE1 4.01Å; I144-F178 HydrophobicContact CD1-CE2 3.7Å; I144-F178 HydrophobicContact CD1-CG 3.2Å; I144-F178 HydrophobicContact CD1-CZ 4.07Å; I144-Y224 HydrophobicContact CD1-CG 4.49Å; I144-Y224 HydrophobicContact CG1-CD1 4.16Å; I144-Y224 HydrophobicContact CG1-CE1 4.43Å; I144-Y224 HydrophobicContact CG1-CG 4.23Å; I144-Y224 HydrophobicContact CG2-CD2 4.24Å; I144-Y224 HydrophobicContact CG2-CE2 4.15Å; I144-L231 HydrophobicContact CD1-CD2 4.39Å; I144-L231 HydrophobicContact CG2-CD1 4.48Å
145	P	85.6	Confident	80	Confident	39 Å²	39	50.7 Å²	50.7	25%	0.253	27%	0.265	S	S	.	.			trans	-58.2	136.1	176.5	-26.6	35.8	0	0	0	112.3	I147 S148 K149 Y224	P145-I147 HydrophobicContact CB-CG2 4.28Å; P145-I147 PolarHBondContact O-N 3.17Å; P145-S148 WeakPolarHBondContact O-CA 3.46Å; P145-S148 VanDerWaalsContact O-CB 3.24Å; P145-S148 WeakPolarHBondContact O-CB 3.26Å; P145-S148 PolarHBondContact O-N 3.09Å; P145-K149 PolarHBondContact O-N 3.37Å; P145-Y224 WeakPolarHBondContact CD-OH 3.39Å
146	E	81.1	Confident	78.3	Confident	122 Å²	122	57 Å²	57	57%	0.57	30%	0.299	S	S	*	.	H	α-helix	trans	-58.8	-28.5	-174.5	-158.4	55.7	-139.1	0	0	113.6	I144 S148 K149 Q150	I144-E146 PolarHBondContact O-N 2.99Å; E146-S148 PolarHBondContact O-N 2.91Å; E146-K149 PolarHBondContact O-N 2.93Å; E146-K149 WeakPolarHBondContact OE2-CD 3.43Å; E146-K149 WeakPolarHBondContact OE2-CE 3.26Å; E146-K149 IonicContact OE2-NZ 2.91Å; E146-K149 PolarHBondContact OE2-NZ 3.32Å; E146-Q150 PolarHBondContact O-N 3.46Å
147	I	77.5	Confident	76.6	Confident	121 Å²	121	61.9 Å²	61.9	62%	0.621	33%	0.326	S	S	*	.	H	α-helix	trans	-66.8	-23.7	174.7	-159.1	166.9	0	0	0	113.2	P145	P145-I147 HydrophobicContact CB-CG2 4.28Å; P145-I147 PolarHBondContact O-N 3.17Å
148	S	82	Confident	74.8	Confident	7 Å²	7	65.3 Å²	65.3	5%	0.049	34%	0.339	C	S	.	.	H	α-helix	trans	-79.9	-40	173.8	-52.1	0	0	0	0	111	P145 E146 Q150 G151 R229 L231	P145-S148 WeakPolarHBondContact O-CA 3.46Å; P145-S148 VanDerWaalsContact O-CB 3.24Å; P145-S148 WeakPolarHBondContact O-CB 3.26Å; P145-S148 PolarHBondContact O-N 3.09Å; E146-S148 PolarHBondContact O-N 2.91Å; S148-Q150 PolarHBondContact O-N 2.91Å; S148-G151 PolarHBondContact O-N 3.26Å; S148-R229 WeakPolarHBondContact CB-O 3.4Å; S148-R229 PolarHBondContact OG-O 2.8Å; S148-L231 WeakPolarHBondContact O-CD1 3.37Å
149	K	77.6	Confident	72.9	Confident	41 Å²	41	70 Å²	70	18%	0.178	36%	0.357	C	S	.	.	H	α-helix	trans	-62.3	-22.6	178.1	-59.7	-177.5	-153.3	155.2	0	113.6	T141 I144 P145 E146 G151 L152	T141-K149 WeakPolarHBondContact O-CE 3.45Å; T141-K149 PolarHBondContact O-NZ 3.43Å; T141-K149 VanDerWaalsContact O-NZ 3.12Å; I144-K149 HydrophobicContact CG2-CG 3.98Å; I144-K149 WeakPolarHBondContact O-CE 3.43Å; I144-K149 PolarHBondContact O-NZ 3.01Å; P145-K149 PolarHBondContact O-N 3.37Å; E146-K149 PolarHBondContact O-N 2.93Å; E146-K149 WeakPolarHBondContact OE2-CD 3.43Å; E146-K149 WeakPolarHBondContact OE2-CE 3.26Å; E146-K149 IonicContact OE2-NZ 2.91Å; E146-K149 PolarHBondContact OE2-NZ 3.32Å; K149-G151 PolarHBondContact O-N 2.91Å; K149-L152 VanDerWaalsContact O-CB 3.32Å; K149-L152 WeakPolarHBondContact O-CB 3.49Å; K149-L152 PolarHBondContact O-N 2.79Å
150	Q	64	Low	70.7	Confident	147 Å²	147	69.6 Å²	69.6	69%	0.687	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-12.7	169.1	-66.7	170.5	27.3	0	0	113.5	E146 S148 L152	E146-Q150 PolarHBondContact O-N 3.46Å; S148-Q150 PolarHBondContact O-N 2.91Å; Q150-L152 VanDerWaalsContact C-N 3.33Å
151	G	58.4	Low	68.6	Low	53 Å²	53	75.6 Å²	75.6	55%	0.546	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	0.9	167.9	0	0	0	0	0	115.8	S148 K149 P153	S148-G151 PolarHBondContact O-N 3.26Å; K149-G151 PolarHBondContact O-N 2.91Å; G151-P153 WeakPolarHBondContact O-CD 3.28Å
152	L	66.7	Low	66.8	Low	11 Å²	11	80.3 Å²	80.3	6%	0.058	42%	0.415	C	S	.	.			trans	-110.2	55	-178.2	-57.1	178	0	0	0	113.2	K149 Q150 D154 R155 F178 F222 L231	K149-L152 VanDerWaalsContact O-CB 3.32Å; K149-L152 WeakPolarHBondContact O-CB 3.49Å; K149-L152 PolarHBondContact O-N 2.79Å; Q150-L152 VanDerWaalsContact C-N 3.33Å; L152-D154 PolarHBondContact O-N 2.84Å; L152-R155 HydrophobicContact CB-CB 4.48Å; L152-R155 PolarHBondContact O-N 2.71Å; L152-F178 HydrophobicContact CD1-CE1 4.16Å; L152-F178 HydrophobicContact CD1-CZ 4.12Å; L152-F222 HydrophobicContact CD2-CD1 3.81Å; L152-F222 HydrophobicContact CD2-CD2 3.85Å; L152-F222 HydrophobicContact CD2-CE1 3.57Å; L152-F222 HydrophobicContact CD2-CE2 3.64Å; L152-F222 HydrophobicContact CD2-CG 3.95Å; L152-F222 HydrophobicContact CD2-CZ 3.5Å; L152-L231 HydrophobicContact CD1-CD1 3.75Å; L152-L231 HydrophobicContact CD2-CD1 3.85Å; L152-L231 HydrophobicContact CG-CD1 3.61Å
153	P	56.2	Low	65.4	Low	82 Å²	82	79.9 Å²	79.9	53%	0.532	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-11.4	-177.8	31.6	-38.1	0	0	0	113.5	G151 N157	G151-P153 WeakPolarHBondContact O-CD 3.28Å; P153-N157 PolarHBondContact O-ND2 3.48Å
154	D	59	Low	63.9	Low	60 Å²	60	84 Å²	84	32%	0.321	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-33.5	174.2	-65.2	-19.7	0	0	0	111.8	L152 D156 N157 Y158 K233	L152-D154 PolarHBondContact O-N 2.84Å; D154-D156 PolarHBondContact O-N 2.95Å; D154-N157 WeakPolarHBondContact O-CB 3.46Å; D154-N157 PolarHBondContact O-N 3.42Å; D154-Y158 HydrophobicContact CB-CD2 4.38Å; D154-Y158 HydrophobicContact CB-CE2 4.21Å; D154-Y158 WeakPolarHBondContact O-CD2 3.29Å; D154-Y158 PolarHBondContact O-N 2.99Å; D154-K233 IonicContact OD2-NZ 2.72Å; D154-K233 PolarHBondContact OD2-NZ 2.82Å
155	R	64.3	Low	62.8	Low	35 Å²	35	88.1 Å²	88.1	13%	0.132	47%	0.468	C	S	.	.	G	3₁₀ helix	trans	-62.3	-42.1	-172.8	-123.6	179.3	-178.8	-169.5	-7.3	112.3	T141 L152 N157 Y158 E176 L203	T141-R155 VanDerWaalsContact CG2-NH1 3.25Å; T141-R155 PolarHBondContact OG1-NH1 3.24Å; T141-R155 PolarHBondContact OG1-NH2 3.32Å; L152-R155 HydrophobicContact CB-CB 4.48Å; L152-R155 PolarHBondContact O-N 2.71Å; R155-N157 VanDerWaalsContact C-N 3.28Å; R155-N157 PolarHBondContact O-N 3.29Å; R155-Y158 PolarHBondContact O-N 3.29Å; R155-E176 IonicContact CZ-OE1 3.86Å; R155-E176 IonicContact CZ-OE2 3.26Å; R155-E176 VanDerWaalsContact CZ-OE2 3.24Å; R155-E176 IonicContact NE-OE1 2.67Å; R155-E176 IonicContact NE-OE2 3.84Å; R155-E176 PolarHBondContact NE-OE2 3.29Å; R155-E176 IonicContact NH2-OE1 2.71Å; R155-E176 IonicContact NH2-OE2 3.92Å; R155-E176 PolarHBondContact NH2-OE2 3.25Å; R155-L203 HydrophobicContact CB-CD2 4.49Å; R155-L203 HydrophobicContact CG-CD2 3.74Å
156	D	58.8	Low	62	Low	133 Å²	133	88.8 Å²	88.8	71%	0.711	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-66.2	-27.6	175.7	-65.4	-21.8	0	0	0	113	D154	D154-D156 PolarHBondContact O-N 2.95Å
157	N	58.5	Low	61.8	Low	129 Å²	129	90 Å²	90	69%	0.69	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-81.8	-15	178.7	-71.1	-60.8	0	0	0	113.2	P153 D154 R155	P153-N157 PolarHBondContact O-ND2 3.48Å; D154-N157 WeakPolarHBondContact O-CB 3.46Å; D154-N157 PolarHBondContact O-N 3.42Å; R155-N157 VanDerWaalsContact C-N 3.28Å; R155-N157 PolarHBondContact O-N 3.29Å
158	Y	55.3	Low	61.8	Low	76 Å²	76	88 Å²	88	30%	0.298	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-93	-2.3	178	-80.5	-68	0	0	0	114.3	D154 R155 P160 L203 K204 L207	D154-Y158 HydrophobicContact CB-CD2 4.38Å; D154-Y158 HydrophobicContact CB-CE2 4.21Å; D154-Y158 WeakPolarHBondContact O-CD2 3.29Å; D154-Y158 PolarHBondContact O-N 2.99Å; R155-Y158 PolarHBondContact O-N 3.29Å; Y158-P160 WeakPolarHBondContact O-CD 3.49Å; Y158-L203 HydrophobicContact CD2-CB 4.4Å; Y158-L203 HydrophobicContact CD2-CD2 3.98Å; Y158-L203 HydrophobicContact CE2-CB 4.44Å; Y158-K204 HydrophobicContact CE1-CB 3.94Å; Y158-K204 HydrophobicContact CE1-CG 3.98Å; Y158-L207 HydrophobicContact CD1-CD1 3.79Å; Y158-L207 HydrophobicContact CG-CD1 3.93Å
159	Y	53.6	Low	61.8	Low	104 Å²	104	88.3 Å²	88.3	41%	0.408	46%	0.464	S	S	.	.	S	Bend	trans	-74.4	108	162.2	-87	-80.6	0	0	0	109.7
160	P	47	Very low	61.9	Low	48 Å²	48	94.1 Å²	94.1	31%	0.312	49%	0.485	S	S	.	.			trans	-80.7	150.2	-176.4	-4.1	23.8	0	0	0	110.1	Y158 Q162 I169	Y158-P160 WeakPolarHBondContact O-CD 3.49Å; P160-Q162 HydrophobicContact CB-CB 4.22Å; P160-Q162 HydrophobicContact CB-CG 4.5Å; P160-Q162 PolarHBondContact O-N 3.28Å; P160-I169 VanDerWaalsContact CD-CD1 3.41Å; P160-I169 HydrophobicContact CG-CD1 3.65Å
161	I	47.5	Very low	62.8	Low	183 Å²	183	89.4 Å²	89.4	94%	0.938	47%	0.465	S	S	*	.	S	Bend	trans	-79.8	40	171.8	-48.7	175	0	0	0	109.4
162	Q	49	Very low	64.1	Low	137 Å²	137	87.5 Å²	87.5	64%	0.64	44%	0.441	S	S	*	.			trans	-125.8	120.5	-178.6	-67.6	178.4	-31	0	0	108.2	P160 N164 N166	P160-Q162 HydrophobicContact CB-CB 4.22Å; P160-Q162 HydrophobicContact CB-CG 4.5Å; P160-Q162 PolarHBondContact O-N 3.28Å; Q162-N164 VanDerWaalsContact C-N 3.29Å; Q162-N164 PolarHBondContact O-N 2.86Å; Q162-N166 PolarHBondContact O-ND2 3.48Å
163	S	55.4	Low	65.1	Low	98 Å²	98	87.6 Å²	87.6	69%	0.685	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-62.5	-29.4	-165.3	40.2	0	0	0	0	115	N166	S163-N166 PolarHBondContact O-ND2 2.81Å
164	N	56.6	Low	66.6	Low	137 Å²	137	87.6 Å²	87.6	73%	0.733	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-86.8	-27.4	-156.1	-61.7	10.6	0	0	0	114.5	Q162	Q162-N164 VanDerWaalsContact C-N 3.29Å; Q162-N164 PolarHBondContact O-N 2.86Å
165	N	65.2	Low	68	Low	88 Å²	88	87.3 Å²	87.3	47%	0.471	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-98.6	1.4	-170.4	-65.7	6.6	0	0	0	114.1	K167 L168 I169	N165-K167 PolarHBondContact O-N 3.24Å; N165-K167 VanDerWaalsContact O-N 3.12Å; N165-L168 PolarHBondContact O-N 2.93Å; N165-I169 HydrophobicContact CB-CD1 4.23Å; N165-I169 WeakPolarHBondContact O-CG1 3.48Å; N165-I169 PolarHBondContact O-N 2.79Å
166	N	68.7	Low	69.3	Low	52 Å²	52	85.7 Å²	85.7	28%	0.278	44%	0.437	S	S	.	.	H	α-helix	trans	-61.5	-23.2	-173.8	-74.1	-62.8	0	0	0	115	Q162 S163 R170	Q162-N166 PolarHBondContact O-ND2 3.48Å; S163-N166 PolarHBondContact O-ND2 2.81Å; N166-R170 WeakPolarHBondContact O-CG 3.35Å
167	K	77.1	Confident	71	Confident	147 Å²	147	79.5 Å²	79.5	64%	0.639	40%	0.404	S	S	*	.	H	α-helix	trans	-72.1	-57.7	172.3	-163.8	-158.7	175.2	-104.7	0	110.3	N165 I169 R170 D171	N165-K167 PolarHBondContact O-N 3.24Å; N165-K167 VanDerWaalsContact O-N 3.12Å; K167-I169 PolarHBondContact O-N 3.07Å; K167-I169 VanDerWaalsContact O-N 3.16Å; K167-R170 WeakPolarHBondContact O-CA 3.49Å; K167-R170 WeakPolarHBondContact O-CB 3.46Å; K167-R170 PolarHBondContact O-N 3.19Å; K167-D171 WeakPolarHBondContact CE-OD2 3.22Å; K167-D171 WeakPolarHBondContact CG-OD2 3.39Å; K167-D171 IonicContact NZ-OD1 2.88Å; K167-D171 IonicContact NZ-OD2 3.45Å; K167-D171 PolarHBondContact NZ-OD2 3.38Å; K167-D171 VanDerWaalsContact O-CG 3.23Å; K167-D171 PolarHBondContact O-N 2.83Å
168	L	78	Confident	72.6	Confident	80 Å²	80	73.4 Å²	73.4	42%	0.419	37%	0.371	S	S	.	.	H	α-helix	trans	-52.1	-40.7	178.4	-65	172.9	0	0	0	112.4	N165 R170 D171 I172	N165-L168 PolarHBondContact O-N 2.93Å; L168-R170 VanDerWaalsContact C-N 3.34Å; L168-R170 PolarHBondContact O-N 3.27Å; L168-D171 PolarHBondContact O-N 3.29Å; L168-I172 WeakPolarHBondContact O-CB 3.49Å; L168-I172 WeakPolarHBondContact O-CD1 3.37Å; L168-I172 WeakPolarHBondContact O-CG1 3.22Å; L168-I172 PolarHBondContact O-N 2.97Å
169	I	80	Confident	74.4	Confident	13 Å²	13	70.7 Å²	70.7	7%	0.067	36%	0.362	C	S	.	.	H	α-helix	trans	-64.2	-37.5	178.3	-65.6	172.6	0	0	0	112.1	P160 N165 K167 F173 L207	P160-I169 VanDerWaalsContact CD-CD1 3.41Å; P160-I169 HydrophobicContact CG-CD1 3.65Å; N165-I169 HydrophobicContact CB-CD1 4.23Å; N165-I169 WeakPolarHBondContact O-CG1 3.48Å; N165-I169 PolarHBondContact O-N 2.79Å; K167-I169 PolarHBondContact O-N 3.07Å; K167-I169 VanDerWaalsContact O-N 3.16Å; I169-F173 HydrophobicContact CG2-CD2 3.84Å; I169-F173 HydrophobicContact CG2-CE2 3.44Å; I169-F173 VanDerWaalsContact CG2-CE2 3.44Å; I169-F173 HydrophobicContact CG2-CZ 4.08Å; I169-F173 WeakPolarHBondContact O-CB 3.4Å; I169-F173 VanDerWaalsContact O-CD2 3.25Å; I169-F173 WeakPolarHBondContact O-CD2 3.12Å; I169-F173 VanDerWaalsContact O-CG 3.29Å; I169-F173 WeakPolarHBondContact O-CG 3.49Å; I169-F173 PolarHBondContact O-N 2.82Å; I169-L207 HydrophobicContact CG1-CD2 4.19Å; I169-L207 HydrophobicContact CG2-CD2 4.28Å
170	R	80.5	Confident	76.2	Confident	163 Å²	163	65.8 Å²	65.8	62%	0.615	34%	0.343	S	S	*	.	H	α-helix	trans	-71.4	-43.9	173.3	-70.2	173.2	179.9	179.7	1.5	111.6	N166 K167 L168 I172 F173 A174	N166-R170 WeakPolarHBondContact O-CG 3.35Å; K167-R170 WeakPolarHBondContact O-CA 3.49Å; K167-R170 WeakPolarHBondContact O-CB 3.46Å; K167-R170 PolarHBondContact O-N 3.19Å; L168-R170 VanDerWaalsContact C-N 3.34Å; L168-R170 PolarHBondContact O-N 3.27Å; R170-I172 VanDerWaalsContact C-N 3.28Å; R170-I172 PolarHBondContact O-N 2.9Å; R170-F173 PolarHBondContact O-N 3.35Å; R170-A174 WeakPolarHBondContact O-CB 3.27Å; R170-A174 PolarHBondContact O-N 2.95Å
171	D	84.1	Confident	78.2	Confident	49 Å²	49	68.3 Å²	68.3	26%	0.262	35%	0.351	S	S	.	.	H	α-helix	trans	-62.8	-37	-179.8	-59.2	-13.6	0	0	0	110.7	K167 L168 P212	K167-D171 WeakPolarHBondContact CE-OD2 3.22Å; K167-D171 WeakPolarHBondContact CG-OD2 3.39Å; K167-D171 IonicContact NZ-OD1 2.88Å; K167-D171 IonicContact NZ-OD2 3.45Å; K167-D171 PolarHBondContact NZ-OD2 3.38Å; K167-D171 VanDerWaalsContact O-CG 3.23Å; K167-D171 PolarHBondContact O-N 2.83Å; L168-D171 PolarHBondContact O-N 3.29Å; D171-P212 HydrophobicContact CB-CB 4.15Å; D171-P212 HydrophobicContact CB-CG 4.13Å
172	I	85.4	Confident	80.2	Confident	12 Å²	12	61.7 Å²	61.7	6%	0.062	32%	0.319	C	S	.	.	H	α-helix	trans	-65.8	-54.1	170	-68.4	165	0	0	0	110.6	L168 R170 A174 R175 L207 F210 P212 F219	L168-I172 WeakPolarHBondContact O-CB 3.49Å; L168-I172 WeakPolarHBondContact O-CD1 3.37Å; L168-I172 WeakPolarHBondContact O-CG1 3.22Å; L168-I172 PolarHBondContact O-N 2.97Å; R170-I172 VanDerWaalsContact C-N 3.28Å; R170-I172 PolarHBondContact O-N 2.9Å; I172-A174 PolarHBondContact O-N 3.02Å; I172-A174 VanDerWaalsContact O-N 3.16Å; I172-R175 WeakPolarHBondContact O-CA 3.39Å; I172-R175 PolarHBondContact O-N 3.45Å; I172-L207 HydrophobicContact CB-CD2 4.5Å; I172-L207 HydrophobicContact CD1-CD2 4.14Å; I172-L207 HydrophobicContact CG2-CD2 4.13Å; I172-F210 HydrophobicContact CG1-CD1 4.27Å; I172-F210 HydrophobicContact CG2-CD1 4.11Å; I172-P212 HydrophobicContact CG1-CB 4.32Å; I172-P212 HydrophobicContact CG1-CG 3.97Å; I172-F219 HydrophobicContact CG2-CE1 3.62Å; I172-F219 HydrophobicContact CG2-CZ 3.85Å; I172-F219 VanDerWaalsContact O-CE1 3.32Å; I172-F219 WeakPolarHBondContact O-CE1 3.49Å
173	F	86.7	Confident	82.2	Confident	14 Å²	14	60.6 Å²	60.6	6%	0.061	31%	0.314	C	S	.	.	H	α-helix	trans	-65.8	-17.7	-178.6	-66.5	-29.5	0	0	0	114.3	I169 R170 R175 E176 L203 L207	I169-F173 HydrophobicContact CG2-CD2 3.84Å; I169-F173 HydrophobicContact CG2-CE2 3.44Å; I169-F173 VanDerWaalsContact CG2-CE2 3.44Å; I169-F173 HydrophobicContact CG2-CZ 4.08Å; I169-F173 WeakPolarHBondContact O-CB 3.4Å; I169-F173 VanDerWaalsContact O-CD2 3.25Å; I169-F173 WeakPolarHBondContact O-CD2 3.12Å; I169-F173 VanDerWaalsContact O-CG 3.29Å; I169-F173 WeakPolarHBondContact O-CG 3.49Å; I169-F173 PolarHBondContact O-N 2.82Å; R170-F173 PolarHBondContact O-N 3.35Å; F173-R175 VanDerWaalsContact C-N 3.29Å; F173-E176 WeakPolarHBondContact CD1-OE2 3.44Å; F173-E176 WeakPolarHBondContact O-CB 3.04Å; F173-E176 PolarHBondContact O-N 3.01Å; F173-L203 HydrophobicContact CD1-CD1 4.31Å; F173-L203 HydrophobicContact CE1-CD1 3.71Å; F173-L203 HydrophobicContact CE1-CD2 3.77Å; F173-L203 HydrophobicContact CE1-CG 3.78Å; F173-L203 HydrophobicContact CZ-CD2 3.86Å; F173-L203 HydrophobicContact CZ-CG 4.27Å; F173-L207 HydrophobicContact CE1-CD1 4.47Å; F173-L207 HydrophobicContact CE1-CD2 3.95Å; F173-L207 HydrophobicContact CE1-CG 4.31Å; F173-L207 HydrophobicContact CZ-CD1 4.1Å; F173-L207 HydrophobicContact CZ-CD2 4.01Å; F173-L207 HydrophobicContact CZ-CG 4.38Å
174	A	87	Confident	83.9	Confident	82 Å²	82	58.3 Å²	58.3	68%	0.678	29%	0.292	S	S	*	.	H	α-helix	trans	-70.2	-23.9	169.4	0	0	0	0	0	113.1	R170 I172	R170-A174 WeakPolarHBondContact O-CB 3.27Å; R170-A174 PolarHBondContact O-N 2.95Å; I172-A174 PolarHBondContact O-N 3.02Å; I172-A174 VanDerWaalsContact O-N 3.16Å
175	R	89.9	Confident	85.6	Confident	54 Å²	54	55.4 Å²	55.4	20%	0.204	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	8.6	173.9	-53.4	-79	-158.4	172.5	4.4	112.8	I172 F173 F210 P212 D215 S217 F218 F219	I172-R175 WeakPolarHBondContact O-CA 3.39Å; I172-R175 PolarHBondContact O-N 3.45Å; F173-R175 VanDerWaalsContact C-N 3.29Å; R175-F210 HydrophobicContact CB-CE1 3.68Å; R175-F210 HydrophobicContact CB-CZ 3.72Å; R175-F210 HydrophobicContact CG-CE1 3.9Å; R175-F210 HydrophobicContact CG-CZ 4.02Å; R175-P212 PolarHBondContact NH2-O 3.37Å; R175-D215 IonicContact NH2-OD1 3.96Å; R175-D215 PolarHBondContact NH2-OD1 2.78Å; R175-S217 WeakPolarHBondContact CD-O 3.28Å; R175-F218 HydrophobicContact CB-CD1 4.13Å; R175-F219 PolarHBondContact O-N 2.71Å
176	E	91.5	Very high	86.9	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	117.9	178.7	-172.2	176.1	162	0	0	112.3	R155 F173 F178 L203 F219	R155-E176 IonicContact CZ-OE1 3.86Å; R155-E176 IonicContact CZ-OE2 3.26Å; R155-E176 VanDerWaalsContact CZ-OE2 3.24Å; R155-E176 IonicContact NE-OE1 2.67Å; R155-E176 IonicContact NE-OE2 3.84Å; R155-E176 PolarHBondContact NE-OE2 3.29Å; R155-E176 IonicContact NH2-OE1 2.71Å; R155-E176 IonicContact NH2-OE2 3.92Å; R155-E176 PolarHBondContact NH2-OE2 3.25Å; F173-E176 WeakPolarHBondContact CD1-OE2 3.44Å; F173-E176 WeakPolarHBondContact O-CB 3.04Å; F173-E176 PolarHBondContact O-N 3.01Å; E176-F178 HydrophobicContact CG-CE2 4.07Å; E176-F178 HydrophobicContact CG-CZ 4.41Å; E176-F178 WeakPolarHBondContact OE1-CZ 3.37Å; E176-L203 WeakPolarHBondContact OE2-CD1 3.12Å; E176-F219 HydrophobicContact CB-CE1 4.22Å; E176-F219 HydrophobicContact CB-CE2 3.89Å; E176-F219 HydrophobicContact CB-CZ 3.6Å; E176-F219 HydrophobicContact CG-CD2 4.44Å; E176-F219 HydrophobicContact CG-CE2 3.66Å; E176-F219 HydrophobicContact CG-CZ 3.9Å
177	L	93.4	Very high	88	Confident	3 Å²	3	53.1 Å²	53.1	2%	0.016	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	160.8	177.6	-59.7	-179.8	0	0	0	112.3	I117 F138 R140 V197 F218 F219 Y220	I117-L177 HydrophobicContact CB-CD1 4.2Å; I117-L177 HydrophobicContact CD1-CD1 3.8Å; I117-L177 HydrophobicContact CD1-CD2 4.11Å; I117-L177 HydrophobicContact CG2-CD1 3.8Å; F138-L177 HydrophobicContact CB-CB 4.24Å; F138-L177 HydrophobicContact CB-CD1 4.14Å; F138-L177 HydrophobicContact CD1-CB 3.98Å; F138-L177 HydrophobicContact CD1-CD1 4.36Å; F138-L177 HydrophobicContact CG-CD1 4.36Å; R140-L177 HydrophobicContact CG-CD2 3.88Å; L177-V197 HydrophobicContact CD1-CG1 4.08Å; L177-V197 HydrophobicContact CD1-CG2 4.08Å; L177-F218 HydrophobicContact CD1-CB 3.66Å; L177-F218 HydrophobicContact CD1-CD1 4.14Å; L177-F218 HydrophobicContact CD1-CG 3.89Å; L177-F218 HydrophobicContact CD2-CD1 4.46Å; L177-F218 HydrophobicContact CG-CB 4.11Å; L177-F218 HydrophobicContact CG-CD1 4.24Å; L177-F218 HydrophobicContact CG-CG 4.4Å; L177-F219 PolarHBondContact N-O 3.29Å; L177-Y220 WeakPolarHBondContact O-CA 3.48Å; L177-Y220 WeakPolarHBondContact O-CB 3.43Å
178	F	93	Very high	88.6	Confident	1 Å²	1	46.6 Å²	46.6	0%	0.004	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	117.5	179.9	-66	-105.5	0	0	0	109.6	F138 Y139 I144 L152 E176 F222 L231	F138-F178 WeakPolarHBondContact CA-O 3.35Å; Y139-F178 PolarHBondContact N-O 2.98Å; Y139-F178 PolarHBondContact O-N 3.27Å; I144-F178 HydrophobicContact CD1-CB 3.68Å; I144-F178 HydrophobicContact CD1-CD1 3.6Å; I144-F178 HydrophobicContact CD1-CD2 3.23Å; I144-F178 HydrophobicContact CD1-CE1 4.01Å; I144-F178 HydrophobicContact CD1-CE2 3.7Å; I144-F178 HydrophobicContact CD1-CG 3.2Å; I144-F178 HydrophobicContact CD1-CZ 4.07Å; L152-F178 HydrophobicContact CD1-CE1 4.16Å; L152-F178 HydrophobicContact CD1-CZ 4.12Å; E176-F178 HydrophobicContact CG-CE2 4.07Å; E176-F178 HydrophobicContact CG-CZ 4.41Å; E176-F178 WeakPolarHBondContact OE1-CZ 3.37Å; F178-F222 HydrophobicContact CD1-CB 3.64Å; F178-F222 HydrophobicContact CE1-CB 3.72Å; F178-F222 AromaticContact CE1-CD2 3.96Å; F178-F222 HydrophobicContact CE1-CD2 3.96Å; F178-F222 HydrophobicContact CE1-CG 4.15Å; F178-L231 HydrophobicContact CD1-CD2 3.53Å; F178-L231 HydrophobicContact CE1-CD1 4.3Å; F178-L231 HydrophobicContact CE1-CD2 3.81Å
179	V	93	Very high	89.1	Confident	18 Å²	18	51.7 Å²	51.7	11%	0.109	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	133.4	-177.7	66.9	0	0	0	0	110.8	K136 F138 Y220 F222 A223 Y224 I234	K136-V179 HydrophobicContact CD-CG2 3.88Å; F138-V179 HydrophobicContact CD1-CB 4.08Å; F138-V179 HydrophobicContact CD1-CG2 4.49Å; F138-V179 HydrophobicContact CE1-CB 3.68Å; F138-V179 HydrophobicContact CE1-CG2 3.89Å; F138-V179 HydrophobicContact CZ-CB 4.29Å; F138-V179 HydrophobicContact CZ-CG2 3.99Å; V179-Y220 HydrophobicContact CB-CD2 3.75Å; V179-Y220 HydrophobicContact CB-CE2 3.9Å; V179-Y220 HydrophobicContact CG1-CD2 3.72Å; V179-Y220 HydrophobicContact CG1-CE2 3.77Å; V179-Y220 HydrophobicContact CG2-CE2 4.45Å; V179-F222 PolarHBondContact N-O 2.91Å; V179-A223 HydrophobicContact CG1-CB 3.7Å; V179-A223 CarbonylContact O-C 3.43Å; V179-A223 VanDerWaalsContact O-CA 3.25Å; V179-A223 WeakPolarHBondContact O-CA 3.43Å; V179-Y224 PolarHBondContact O-N 2.79Å; V179-I234 HydrophobicContact CG1-CD1 3.93Å; V179-I234 HydrophobicContact CG1-CG1 4.26Å
180	S	92.2	Very high	89.7	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.014	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	165.5	174.2	-164.6	0	0	0	0	112.4	K136 C137 V182	K136-S180 WeakPolarHBondContact CE-O 3.15Å; K136-S180 WeakPolarHBondContact CG-O 3.33Å; C137-S180 WeakPolarHBondContact O-CB 3.16Å; C137-S180 PolarHBondContact O-N 3.26Å; C137-S180 VanDerWaalsContact O-N 3.08Å; S180-V182 WeakPolarHBondContact OG-CB 3.31Å; S180-V182 WeakPolarHBondContact OG-CG2 3.31Å; S180-V182 PolarHBondContact OG-N 3.26Å
181	E	87	Confident	90.3	Very high	100 Å²	100	45.9 Å²	45.9	47%	0.467	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	-5	161.8	-64.1	179.1	120.7	0	0	112	N225 N2013	E181-N225 PolarHBondContact OE2-ND2 2.81Å; E181-N2013 PolarHBondContact OE1-ND2 2.73Å
182	V	90.3	Very high	90.7	Very high	44 Å²	44	50 Å²	50	27%	0.267	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	135.6	174.4	175.1	0	0	0	0	110.5	C137 S180 E184 P226	C137-V182 PolarHBondContact N-O 2.99Å; S180-V182 WeakPolarHBondContact OG-CB 3.31Å; S180-V182 WeakPolarHBondContact OG-CG2 3.31Å; S180-V182 PolarHBondContact OG-N 3.26Å; V182-E184 HydrophobicContact CG1-CG 4.48Å; V182-P226 HydrophobicContact CG2-CG 3.52Å
183	Q	90.9	Very high	91	Very high	114 Å²	114	50.1 Å²	50.1	53%	0.533	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	130.5	171.7	-66.9	173.2	-28.5	0	0	109.1	E121 I135	E121-Q183 PolarHBondContact OE2-NE2 3.12Å; I135-Q183 CarbonylContact O-C 3.57Å; I135-Q183 VanDerWaalsContact O-CA 3.31Å; I135-Q183 WeakPolarHBondContact O-CA 3.34Å
184	E	91.7	Very high	91.3	Very high	51 Å²	51	52.6 Å²	52.6	24%	0.238	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	155	173	-79.8	159.9	-145.6	0	0	110.7	Y107 F134 I135 C137 V182 L186	Y107-E184 PolarHBondContact OH-OE2 3.23Å; F134-E184 WeakPolarHBondContact CA-O 3.35Å; I135-E184 PolarHBondContact N-O 2.7Å; I135-E184 PolarHBondContact O-N 3.14Å; C137-E184 PolarHBondContact SG-OE1 2.87Å; V182-E184 HydrophobicContact CG1-CG 4.48Å; E184-L186 HydrophobicContact CB-CD2 4.21Å
185	T	93	Very high	91.7	Very high	75 Å²	75	49 Å²	49	46%	0.46	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	98.6	178.8	-54.9	0	0	0	0	109.8	I133 F134	I133-T185 CarbonylContact O-C 3.22Å; I133-T185 WeakPolarHBondContact O-CA 3.37Å; F134-T185 HydrophobicContact CD1-CG2 4.5Å; F134-T185 WeakPolarHBondContact CD1-OG1 3.24Å; F134-T185 HydrophobicContact CE1-CG2 4.04Å; F134-T185 VanDerWaalsContact CE1-OG1 3.24Å; F134-T185 WeakPolarHBondContact CE1-OG1 3.22Å; F134-T185 HydrophobicContact CE2-CG2 4.03Å; F134-T185 HydrophobicContact CZ-CG2 3.76Å
186	L	91.2	Very high	91.8	Very high	15 Å²	15	52.2 Å²	52.2	8%	0.079	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	138.4	-175.1	-52.5	-169.5	0	0	0	111.7	Y107 I133 I135 E184 A188 Q190	Y107-L186 HydrophobicContact CD1-CD1 4.14Å; Y107-L186 HydrophobicContact CD2-CD1 3.2Å; Y107-L186 HydrophobicContact CE2-CD1 3.62Å; Y107-L186 HydrophobicContact CG-CD1 3.45Å; Y107-L186 VanDerWaalsContact CG-CD1 3.45Å; I133-L186 PolarHBondContact N-O 3.08Å; I133-L186 PolarHBondContact O-N 2.73Å; I135-L186 HydrophobicContact CD1-CB 4.48Å; I135-L186 HydrophobicContact CD1-CD1 3.72Å; I135-L186 HydrophobicContact CD1-CG 4.13Å; E184-L186 HydrophobicContact CB-CD2 4.21Å; L186-A188 PolarHBondContact O-N 2.99Å; L186-Q190 HydrophobicContact CD1-CB 4.42Å
187	P	91.8	Very high	91.9	Very high	78 Å²	78	52.5 Å²	52.5	51%	0.506	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	129.9	156.5	-24.6	33.9	0	0	0	110.7	K189 Q190	P187-K189 PolarHBondContact O-N 3.03Å; P187-Q190 PolarHBondContact O-N 2.69Å
188	A	89.8	Confident	91.8	Very high	10 Å²	10	55.7 Å²	55.7	8%	0.083	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-48.9	-23.2	-179	0	0	0	0	0	116.3	I94 F131 I133 L186 Q190 L191	I94-A188 HydrophobicContact CD1-CB 3.68Å; I94-A188 WeakPolarHBondContact CD1-O 3.06Å; I94-A188 HydrophobicContact CG1-CB 3.96Å; F131-A188 HydrophobicContact CB-CB 3.6Å; F131-A188 WeakPolarHBondContact O-CB 3.26Å; F131-A188 PolarHBondContact O-N 2.99Å; F131-A188 VanDerWaalsContact O-N 3.15Å; I133-A188 HydrophobicContact CD1-CB 3.84Å; I133-A188 HydrophobicContact CG1-CB 4.22Å; L186-A188 PolarHBondContact O-N 2.99Å; A188-Q190 PolarHBondContact O-N 2.79Å; A188-L191 PolarHBondContact O-N 2.84Å
189	K	89.1	Confident	91.7	Very high	186 Å²	186	60 Å²	60	81%	0.809	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-64.9	-15.9	175.6	-66.9	-166.2	173.5	-163.6	0	115	P187	P187-K189 PolarHBondContact O-N 3.03Å
190	Q	91.8	Very high	91.5	Very high	51 Å²	51	60.2 Å²	60.2	24%	0.238	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-81.6	-10.7	176.4	-74.9	176.1	-74.6	0	0	113.5	Y107 E108 L186 P187 A188	Y107-Q190 VanDerWaalsContact CA-O 3.27Å; Y107-Q190 WeakPolarHBondContact CA-O 3.3Å; E108-Q190 PolarHBondContact N-O 3.46Å; E108-Q190 VanDerWaalsContact N-O 3.12Å; E108-Q190 PolarHBondContact O-NE2 3.07Å; L186-Q190 HydrophobicContact CD1-CB 4.42Å; P187-Q190 PolarHBondContact O-N 2.69Å; A188-Q190 PolarHBondContact O-N 2.79Å
191	L	93.6	Very high	91.2	Very high	4 Å²	4	62 Å²	62	2%	0.021	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	130.5	175.7	-62	-163.6	0	0	0	111.1	I94 Y99 V105 I120 I133 I135 A188	I94-L191 HydrophobicContact CD1-CB 4.37Å; I94-L191 HydrophobicContact CD1-CD1 3.91Å; I94-L191 HydrophobicContact CD1-CG 4.33Å; Y99-L191 HydrophobicContact CD1-CD1 3.6Å; Y99-L191 HydrophobicContact CD2-CD1 4Å; Y99-L191 HydrophobicContact CE1-CB 4.11Å; Y99-L191 HydrophobicContact CE1-CD1 3.8Å; Y99-L191 HydrophobicContact CE2-CB 4.23Å; Y99-L191 HydrophobicContact CE2-CD1 4.2Å; Y99-L191 HydrophobicContact CG-CD1 3.66Å; V105-L191 HydrophobicContact CB-CD2 4.16Å; V105-L191 HydrophobicContact CG1-CD1 4.37Å; V105-L191 HydrophobicContact CG2-CD2 3.76Å; I120-L191 HydrophobicContact CD1-CD1 4.1Å; I133-L191 HydrophobicContact CD1-CD1 3.49Å; I133-L191 VanDerWaalsContact CD1-CD1 3.49Å; I133-L191 HydrophobicContact CD1-CG 3.97Å; I135-L191 HydrophobicContact CD1-CD2 3.86Å; A188-L191 PolarHBondContact O-N 2.84Å
192	R	92.4	Very high	90.9	Very high	134 Å²	134	60.1 Å²	60.1	51%	0.506	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	-28.3	-177.7	-64.1	-53.8	-166.9	165.9	2.7	113.9	Y106 E108 Y115	Y106-R192 PolarHBondContact O-N 2.97Å; E108-R192 HydrophobicContact CB-CG 4.38Å; E108-R192 IonicContact OE1-NH2 3.91Å; E108-R192 IonicContact OE2-CZ 2.72Å; E108-R192 IonicContact OE2-NE 2.64Å; E108-R192 PolarHBondContact OE2-NE 3.31Å; E108-R192 IonicContact OE2-NH2 2.73Å; E108-R192 PolarHBondContact OE2-NH2 3.29Å; Y115-R192 HydrophobicContact CD1-CG 4.21Å; Y115-R192 HydrophobicContact CE1-CB 4.36Å; Y115-R192 HydrophobicContact CE1-CG 3.96Å; Y115-R192 HydrophobicContact CE2-CB 4.37Å
193	G	91.8	Very high	90.6	Very high	15 Å²	15	58.2 Å²	58.2	16%	0.155	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.2	174.3	176.4	0	0	0	0	0	113.1	Y99 V105 Y106	Y99-G193 WeakPolarHBondContact OH-CA 3.11Å; Y99-G193 PolarHBondContact OH-N 2.97Å; V105-G193 WeakPolarHBondContact CA-O 3Å; Y106-G193 PolarHBondContact N-O 3.21Å
194	I	93.4	Very high	90.1	Very high	66 Å²	66	59.4 Å²	59.4	34%	0.338	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	142.5	173.5	-62.1	174.9	0	0	0	108.2	T97 Y99 F104 V105	T97-I194 HydrophobicContact CG2-CD1 3.72Å; T97-I194 HydrophobicContact CG2-CG1 4.06Å; Y99-I194 HydrophobicContact CD1-CD1 4.04Å; Y99-I194 HydrophobicContact CD1-CG1 3.58Å; Y99-I194 HydrophobicContact CE1-CD1 4.31Å; Y99-I194 HydrophobicContact CE1-CG1 3.52Å; F104-I194 WeakPolarHBondContact O-CA 3.26Å; F104-I194 WeakPolarHBondContact O-CG2 3.4Å; V105-I194 HydrophobicContact CG1-CG1 4.5Å
195	C	94	Very high	89.7	Confident	7 Å²	7	59.1 Å²	59.1	5%	0.047	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	-179.1	176.6	65	0	0	0	0	111.3	F104 Y106 D216 F218	F104-C195 PolarHBondContact O-N 2.94Å; Y106-C195 HydrophobicContact CD2-CB 4.37Å; Y106-C195 HydrophobicContact CE1-CB 4.09Å; Y106-C195 HydrophobicContact CE2-CB 3.97Å; C195-D216 HydrophobicContact CB-CB 4.17Å; C195-D216 WeakPolarHBondContact CB-O 3.42Å; C195-F218 HydrophobicContact CB-CE2 4.27Å
196	K	92.6	Very high	89.3	Confident	121 Å²	121	55.5 Å²	55.5	53%	0.526	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	126.8	178.5	-63	172.2	-175.9	166.7	0	110.1	D216 F218	K196-D216 PolarHBondContact N-O 3.49Å; K196-F218 PolarHBondContact O-N 2.97Å
197	V	93.9	Very high	88.9	Confident	7 Å²	7	57.1 Å²	57.1	4%	0.042	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	102.8	179.4	-175.1	0	0	0	0	110.2	F104 I117 F138 L177 F218 Y220	F104-V197 HydrophobicContact CB-CB 4.48Å; F104-V197 HydrophobicContact CB-CG2 3.88Å; F104-V197 HydrophobicContact CD1-CB 3.7Å; F104-V197 HydrophobicContact CD1-CG2 3.75Å; F104-V197 HydrophobicContact CD2-CB 3.97Å; F104-V197 HydrophobicContact CD2-CG2 4.28Å; F104-V197 HydrophobicContact CE1-CB 3.77Å; F104-V197 HydrophobicContact CE1-CG1 4.38Å; F104-V197 HydrophobicContact CE1-CG2 4.33Å; F104-V197 HydrophobicContact CE2-CB 4.03Å; F104-V197 WeakPolarHBondContact CE2-O 3.35Å; F104-V197 HydrophobicContact CG-CB 3.79Å; F104-V197 HydrophobicContact CG-CG2 3.71Å; F104-V197 HydrophobicContact CZ-CB 3.93Å; F104-V197 WeakPolarHBondContact CZ-O 3.26Å; I117-V197 HydrophobicContact CG2-CG2 3.86Å; F138-V197 HydrophobicContact CD1-CG1 4.3Å; F138-V197 HydrophobicContact CE1-CG1 3.83Å; F138-V197 HydrophobicContact CZ-CG1 4.09Å; L177-V197 HydrophobicContact CD1-CG1 4.08Å; L177-V197 HydrophobicContact CD1-CG2 4.08Å; V197-F218 HydrophobicContact CG2-CB 4.31Å; V197-Y220 HydrophobicContact CG1-CD1 3.72Å; V197-Y220 HydrophobicContact CG1-CE1 4.24Å
198	N	91.5	Very high	88.4	Confident	70 Å²	70	57.7 Å²	57.7	37%	0.374	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	129	-174.1	-69.4	-49.6	0	0	0	112.4	F218 F219 Y220	N198-F218 PolarHBondContact N-O 3.17Å; N198-F219 HydrophobicContact CB-CB 4.42Å; N198-F219 CarbonylContact O-C 3.21Å; N198-F219 WeakPolarHBondContact O-CA 3.48Å; N198-F219 WeakPolarHBondContact O-CB 3.32Å; N198-Y220 WeakPolarHBondContact O-CD1 3.31Å; N198-Y220 PolarHBondContact O-N 3.17Å
199	Y	91.3	Very high	88.1	Confident	92 Å²	92	61.8 Å²	61.8	36%	0.361	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	124.5	169.1	173.6	-117.7	0	0	0	110.5	Y220 I234	Y199-Y220 VanDerWaalsContact CA-CE1 3.47Å; Y199-Y220 HydrophobicContact CD2-CD2 4.45Å; Y199-Y220 HydrophobicContact CD2-CE1 4.31Å; Y199-Y220 HydrophobicContact CD2-CE2 4.07Å; Y199-Y220 AromaticContact CD2-CZ 3.99Å; Y199-Y220 HydrophobicContact CG-CE1 4.44Å; Y199-I234 HydrophobicContact CD2-CD1 4.11Å; Y199-I234 HydrophobicContact CE2-CB 4.23Å; Y199-I234 HydrophobicContact CE2-CD1 3.84Å; Y199-I234 HydrophobicContact CE2-CG2 4.36Å
200	L	89	Confident	87.9	Confident	22 Å²	22	53.6 Å²	53.6	12%	0.115	27%	0.273	C	S	.	.			trans	-121.8	137.4	176.7	-62.4	178.5	0	0	0	111	D202 T205 A206 F210 F219 Y220 V221	L200-D202 PolarHBondContact O-N 2.92Å; L200-T205 HydrophobicContact CD2-CG2 4.49Å; L200-A206 HydrophobicContact CD1-CB 3.74Å; L200-F210 HydrophobicContact CD1-CB 4.2Å; L200-F219 HydrophobicContact CD1-CB 3.62Å; L200-F219 HydrophobicContact CD1-CD2 4.01Å; L200-F219 HydrophobicContact CD1-CG 3.84Å; L200-F219 HydrophobicContact CG-CB 4.12Å; L200-Y220 PolarHBondContact N-O 3.48Å; L200-V221 HydrophobicContact CB-CG2 4.26Å
201	P	84.9	Confident	87.4	Confident	40 Å²	40	54.3 Å²	54.3	26%	0.26	28%	0.284	S	S	.	.	S	Bend	trans	-73.3	-31.8	-164.5	27.5	-35.7	0	0	0	114.2	T205	P201-T205 HydrophobicContact CG-CG2 4.24Å
202	D	81.9	Confident	86.8	Confident	60 Å²	60	55.1 Å²	55.1	32%	0.321	29%	0.289	S	S	.	.	S	Bend	trans	-154.2	155	177.6	-89.9	-58.2	0	0	0	109.2	L200 K204 T205 K233	L200-D202 PolarHBondContact O-N 2.92Å; D202-K204 PolarHBondContact O-N 3.42Å; D202-K204 VanDerWaalsContact O-N 3.08Å; D202-T205 WeakPolarHBondContact O-CB 3.49Å; D202-T205 PolarHBondContact O-N 3.48Å; D202-K233 IonicContact OD1-NZ 2.63Å; D202-K233 PolarHBondContact OD1-NZ 2.85Å
203	L	82.7	Confident	86.1	Confident	5 Å²	5	56.7 Å²	56.7	3%	0.026	30%	0.303	C	S	.	.	H	α-helix	trans	-58.3	-27.3	-175.6	-159.9	70.4	0	0	0	113.8	R155 Y158 F173 E176 T205 A206 L207 F219 V221	R155-L203 HydrophobicContact CB-CD2 4.49Å; R155-L203 HydrophobicContact CG-CD2 3.74Å; Y158-L203 HydrophobicContact CD2-CB 4.4Å; Y158-L203 HydrophobicContact CD2-CD2 3.98Å; Y158-L203 HydrophobicContact CE2-CB 4.44Å; F173-L203 HydrophobicContact CD1-CD1 4.31Å; F173-L203 HydrophobicContact CE1-CD1 3.71Å; F173-L203 HydrophobicContact CE1-CD2 3.77Å; F173-L203 HydrophobicContact CE1-CG 3.78Å; F173-L203 HydrophobicContact CZ-CD2 3.86Å; F173-L203 HydrophobicContact CZ-CG 4.27Å; E176-L203 WeakPolarHBondContact OE2-CD1 3.12Å; L203-T205 VanDerWaalsContact C-N 3.26Å; L203-T205 PolarHBondContact O-N 2.8Å; L203-A206 PolarHBondContact O-N 3.44Å; L203-L207 PolarHBondContact O-N 3.48Å; L203-F219 HydrophobicContact CD1-CE2 4.36Å; L203-V221 HydrophobicContact CD1-CG2 4.46Å
204	K	81.1	Confident	85.6	Confident	138 Å²	138	60.7 Å²	60.7	60%	0.6	32%	0.317	S	S	*	.	H	α-helix	trans	-58.8	-38.1	173.5	-165.9	-178.4	177.3	-168.9	0	112.4	Y158 D202 L207 S208	Y158-K204 HydrophobicContact CE1-CB 3.94Å; Y158-K204 HydrophobicContact CE1-CG 3.98Å; D202-K204 PolarHBondContact O-N 3.42Å; D202-K204 VanDerWaalsContact O-N 3.08Å; K204-L207 PolarHBondContact O-N 3.41Å; K204-S208 PolarHBondContact O-N 3.13Å; K204-S208 PolarHBondContact O-OG 3.21Å
205	T	83	Confident	85	Confident	45 Å²	45	63.5 Å²	63.5	28%	0.276	33%	0.333	S	S	.	.	H	α-helix	trans	-73.4	-33.6	-178.4	-49.1	0	0	0	0	111.2	L200 P201 D202 L203 S208 T209	L200-T205 HydrophobicContact CD2-CG2 4.49Å; P201-T205 HydrophobicContact CG-CG2 4.24Å; D202-T205 WeakPolarHBondContact O-CB 3.49Å; D202-T205 PolarHBondContact O-N 3.48Å; L203-T205 VanDerWaalsContact C-N 3.26Å; L203-T205 PolarHBondContact O-N 2.8Å; T205-S208 WeakPolarHBondContact CA-OG 3.37Å; T205-S208 PolarHBondContact O-N 3.3Å; T205-S208 PolarHBondContact O-OG 2.97Å; T205-S208 VanDerWaalsContact O-OG 3.12Å; T205-T209 WeakPolarHBondContact O-CB 3.11Å; T205-T209 PolarHBondContact O-N 2.95Å; T205-T209 PolarHBondContact O-OG1 3.48Å; T205-T209 VanDerWaalsContact O-OG1 3.09Å
206	A	83.6	Confident	84.7	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-59.2	-49.9	170.4	0	0	0	0	0	111.3	L200 L203 S208 T209 F210 F219	L200-A206 HydrophobicContact CD1-CB 3.74Å; L203-A206 PolarHBondContact O-N 3.44Å; A206-S208 PolarHBondContact O-N 2.86Å; A206-S208 VanDerWaalsContact O-N 3.1Å; A206-T209 PolarHBondContact O-N 3.44Å; A206-F210 WeakPolarHBondContact O-CB 3.24Å; A206-F210 PolarHBondContact O-N 3.33Å; A206-F219 HydrophobicContact CB-CD2 3.84Å; A206-F219 HydrophobicContact CB-CE1 4.26Å; A206-F219 HydrophobicContact CB-CE2 3.5Å; A206-F219 VanDerWaalsContact CB-CE2 3.5Å; A206-F219 HydrophobicContact CB-CG 4.36Å; A206-F219 HydrophobicContact CB-CZ 3.73Å
207	L	83.4	Confident	84.6	Confident	49 Å²	49	60.9 Å²	60.9	26%	0.257	32%	0.324	S	S	.	.	H	α-helix	trans	-66.7	-10.2	179.7	-64.4	174.6	0	0	0	115	Y158 I169 I172 F173 L203 K204	Y158-L207 HydrophobicContact CD1-CD1 3.79Å; Y158-L207 HydrophobicContact CG-CD1 3.93Å; I169-L207 HydrophobicContact CG1-CD2 4.19Å; I169-L207 HydrophobicContact CG2-CD2 4.28Å; I172-L207 HydrophobicContact CB-CD2 4.5Å; I172-L207 HydrophobicContact CD1-CD2 4.14Å; I172-L207 HydrophobicContact CG2-CD2 4.13Å; F173-L207 HydrophobicContact CE1-CD1 4.47Å; F173-L207 HydrophobicContact CE1-CD2 3.95Å; F173-L207 HydrophobicContact CE1-CG 4.31Å; F173-L207 HydrophobicContact CZ-CD1 4.1Å; F173-L207 HydrophobicContact CZ-CD2 4.01Å; F173-L207 HydrophobicContact CZ-CG 4.38Å; L203-L207 PolarHBondContact O-N 3.48Å; K204-L207 PolarHBondContact O-N 3.41Å
208	S	81.1	Confident	84.6	Confident	89 Å²	89	61.2 Å²	61.2	62%	0.622	33%	0.325	S	S	*	.	H	α-helix	trans	-111.2	-12.6	177.3	63.2	0	0	0	0	115	K204 T205 A206	K204-S208 PolarHBondContact O-N 3.13Å; K204-S208 PolarHBondContact O-OG 3.21Å; T205-S208 WeakPolarHBondContact CA-OG 3.37Å; T205-S208 PolarHBondContact O-N 3.3Å; T205-S208 PolarHBondContact O-OG 2.97Å; T205-S208 VanDerWaalsContact O-OG 3.12Å; A206-S208 PolarHBondContact O-N 2.86Å; A206-S208 VanDerWaalsContact O-N 3.1Å
209	T	83.3	Confident	84.7	Confident	96 Å²	96	57.9 Å²	57.9	59%	0.589	31%	0.307	S	S	*	.	H	α-helix	trans	-140.3	-15.7	-162.8	-45.4	0	0	0	0	113.4	T205 A206	T205-T209 WeakPolarHBondContact O-CB 3.11Å; T205-T209 PolarHBondContact O-N 2.95Å; T205-T209 PolarHBondContact O-OG1 3.48Å; T205-T209 VanDerWaalsContact O-OG1 3.09Å; A206-T209 PolarHBondContact O-N 3.44Å
210	F	84.9	Confident	84.8	Confident	14 Å²	14	55.6 Å²	55.6	6%	0.061	30%	0.298	C	S	.	.			trans	-100.5	117.1	177.6	-179.4	-91.8	0	0	0	111.1	I172 R175 L200 A206 P212 S217 F219	I172-F210 HydrophobicContact CG1-CD1 4.27Å; I172-F210 HydrophobicContact CG2-CD1 4.11Å; R175-F210 HydrophobicContact CB-CE1 3.68Å; R175-F210 HydrophobicContact CB-CZ 3.72Å; R175-F210 HydrophobicContact CG-CE1 3.9Å; R175-F210 HydrophobicContact CG-CZ 4.02Å; L200-F210 HydrophobicContact CD1-CB 4.2Å; A206-F210 WeakPolarHBondContact O-CB 3.24Å; A206-F210 PolarHBondContact O-N 3.33Å; F210-P212 HydrophobicContact CE1-CB 4.29Å; F210-S217 WeakPolarHBondContact CZ-O 3.49Å; F210-F219 HydrophobicContact CB-CD1 4.33Å; F210-F219 AromaticContact CD1-CD1 3.7Å; F210-F219 HydrophobicContact CD1-CD1 3.7Å; F210-F219 AromaticContact CD1-CE1 3.91Å; F210-F219 HydrophobicContact CD1-CE1 3.91Å; F210-F219 HydrophobicContact CD2-CB 4.15Å; F210-F219 AromaticContact CD2-CD1 3.82Å; F210-F219 HydrophobicContact CD2-CD1 3.82Å; F210-F219 HydrophobicContact CD2-CG 4.39Å; F210-F219 AromaticContact CE1-CD1 3.92Å; F210-F219 HydrophobicContact CE1-CD1 3.92Å; F210-F219 HydrophobicContact CE1-CE1 4.18Å; F210-F219 HydrophobicContact CE2-CB 4.44Å; F210-F219 HydrophobicContact CE2-CD1 4.03Å; F210-F219 AromaticContact CG-CD1 3.65Å; F210-F219 HydrophobicContact CG-CD1 3.65Å; F210-F219 HydrophobicContact CG-CE1 4.23Å; F210-F219 HydrophobicContact CG-CG 4.44Å; F210-F219 HydrophobicContact CZ-CD1 4.08Å
211	S	81.9	Confident	84.9	Confident	66 Å²	66	54.6 Å²	54.6	46%	0.462	29%	0.293	S	S	.	.			trans	-91.6	116.5	174.7	-63.7	0	0	0	0	110.3	E213 E214	S211-E213 PolarHBondContact O-N 2.94Å; S211-E213 VanDerWaalsContact O-N 3.15Å; S211-E214 PolarHBondContact O-N 3.01Å
212	P	80.5	Confident	85.1	Confident	21 Å²	21	53.3 Å²	53.3	14%	0.136	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-5.5	179.9	32.4	-36.7	0	0	0	113.7	D171 I172 R175 F210 E214	D171-P212 HydrophobicContact CB-CB 4.15Å; D171-P212 HydrophobicContact CB-CG 4.13Å; I172-P212 HydrophobicContact CG1-CB 4.32Å; I172-P212 HydrophobicContact CG1-CG 3.97Å; R175-P212 PolarHBondContact NH2-O 3.37Å; F210-P212 HydrophobicContact CE1-CB 4.29Å; P212-E214 VanDerWaalsContact C-N 3.33Å
213	E	78.4	Confident	85.5	Confident	168 Å²	168	51.4 Å²	51.4	79%	0.785	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-16.1	175.1	-59.2	179.9	171.4	0	0	113.2	S211 D215	S211-E213 PolarHBondContact O-N 2.94Å; S211-E213 VanDerWaalsContact O-N 3.15Å; E213-D215 PolarHBondContact O-N 3.41Å
214	E	82	Confident	85.9	Confident	98 Å²	98	51.7 Å²	51.7	46%	0.458	28%	0.277	S	S	.	.	S	Bend	trans	-76.1	112.4	168.8	-69.1	-167.5	162.4	0	0	110.2	S211 P212 S217	S211-E214 PolarHBondContact O-N 3.01Å; P212-E214 VanDerWaalsContact C-N 3.33Å; E214-S217 VanDerWaalsContact CB-CB 3.45Å; E214-S217 VanDerWaalsContact O-CB 3.24Å; E214-S217 WeakPolarHBondContact O-CB 3.44Å; E214-S217 PolarHBondContact O-N 2.91Å; E214-S217 PolarHBondContact OE2-OG 3.38Å
215	D	80.2	Confident	86.3	Confident	126 Å²	126	46.5 Å²	46.5	67%	0.674	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	151.1	170.1	-77.6	-39.7	0	0	0	112.4	R175 E213 S217	R175-D215 IonicContact NH2-OD1 3.96Å; R175-D215 PolarHBondContact NH2-OD1 2.78Å; E213-D215 PolarHBondContact O-N 3.41Å; D215-S217 PolarHBondContact O-N 2.94Å
216	D	87.7	Confident	86.5	Confident	73 Å²	73	45.8 Å²	45.8	39%	0.39	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	13.9	-170.2	-56.5	-33	0	0	0	116	Y106 C195 K196	Y106-D216 HydrophobicContact CE2-CB 4.35Å; Y106-D216 VanDerWaalsContact CE2-OD1 3.22Å; Y106-D216 WeakPolarHBondContact CE2-OD1 3.35Å; Y106-D216 PolarHBondContact OH-OD1 3.28Å; C195-D216 HydrophobicContact CB-CB 4.17Å; C195-D216 WeakPolarHBondContact CB-O 3.42Å; K196-D216 PolarHBondContact N-O 3.49Å
217	S	91.1	Very high	86.6	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	133.5	177.4	-151.2	0	0	0	0	111.5	R175 F210 E214 D215	R175-S217 WeakPolarHBondContact CD-O 3.28Å; F210-S217 WeakPolarHBondContact CZ-O 3.49Å; E214-S217 VanDerWaalsContact CB-CB 3.45Å; E214-S217 VanDerWaalsContact O-CB 3.24Å; E214-S217 WeakPolarHBondContact O-CB 3.44Å; E214-S217 PolarHBondContact O-N 2.91Å; E214-S217 PolarHBondContact OE2-OG 3.38Å; D215-S217 PolarHBondContact O-N 2.94Å
218	F	94.1	Very high	86.7	Confident	13 Å²	13	55 Å²	55	6%	0.057	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	170.6	177.5	-58.4	-90.7	0	0	0	110.6	Y106 I117 R175 L177 C195 K196 V197 N198	Y106-F218 AromaticContact CE1-CE2 3.82Å; Y106-F218 HydrophobicContact CE1-CE2 3.82Å; Y106-F218 AromaticContact CE1-CZ 3.98Å; Y106-F218 HydrophobicContact CE1-CZ 3.98Å; Y106-F218 AromaticContact CZ-CE2 3.92Å; Y106-F218 VanDerWaalsContact OH-CE2 3.32Å; Y106-F218 WeakPolarHBondContact OH-CE2 3.4Å; I117-F218 HydrophobicContact CD1-CD1 4Å; I117-F218 HydrophobicContact CD1-CD2 4Å; I117-F218 HydrophobicContact CD1-CE1 3.68Å; I117-F218 HydrophobicContact CD1-CE2 3.67Å; I117-F218 HydrophobicContact CD1-CG 4.16Å; I117-F218 HydrophobicContact CD1-CZ 3.5Å; R175-F218 HydrophobicContact CB-CD1 4.13Å; L177-F218 HydrophobicContact CD1-CB 3.66Å; L177-F218 HydrophobicContact CD1-CD1 4.14Å; L177-F218 HydrophobicContact CD1-CG 3.89Å; L177-F218 HydrophobicContact CD2-CD1 4.46Å; L177-F218 HydrophobicContact CG-CB 4.11Å; L177-F218 HydrophobicContact CG-CD1 4.24Å; L177-F218 HydrophobicContact CG-CG 4.4Å; C195-F218 HydrophobicContact CB-CE2 4.27Å; K196-F218 PolarHBondContact O-N 2.97Å; V197-F218 HydrophobicContact CG2-CB 4.31Å; N198-F218 PolarHBondContact N-O 3.17Å
219	F	93.3	Very high	87	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	162.2	171.6	71	-86.8	0	0	0	113.3	I172 R175 E176 L177 N198 L200 L203 A206 F210 V221	I172-F219 HydrophobicContact CG2-CE1 3.62Å; I172-F219 HydrophobicContact CG2-CZ 3.85Å; I172-F219 VanDerWaalsContact O-CE1 3.32Å; I172-F219 WeakPolarHBondContact O-CE1 3.49Å; R175-F219 PolarHBondContact O-N 2.71Å; E176-F219 HydrophobicContact CB-CE1 4.22Å; E176-F219 HydrophobicContact CB-CE2 3.89Å; E176-F219 HydrophobicContact CB-CZ 3.6Å; E176-F219 HydrophobicContact CG-CD2 4.44Å; E176-F219 HydrophobicContact CG-CE2 3.66Å; E176-F219 HydrophobicContact CG-CZ 3.9Å; L177-F219 PolarHBondContact N-O 3.29Å; N198-F219 HydrophobicContact CB-CB 4.42Å; N198-F219 CarbonylContact O-C 3.21Å; N198-F219 WeakPolarHBondContact O-CA 3.48Å; N198-F219 WeakPolarHBondContact O-CB 3.32Å; L200-F219 HydrophobicContact CD1-CB 3.62Å; L200-F219 HydrophobicContact CD1-CD2 4.01Å; L200-F219 HydrophobicContact CD1-CG 3.84Å; L200-F219 HydrophobicContact CG-CB 4.12Å; L203-F219 HydrophobicContact CD1-CE2 4.36Å; A206-F219 HydrophobicContact CB-CD2 3.84Å; A206-F219 HydrophobicContact CB-CE1 4.26Å; A206-F219 HydrophobicContact CB-CE2 3.5Å; A206-F219 VanDerWaalsContact CB-CE2 3.5Å; A206-F219 HydrophobicContact CB-CG 4.36Å; A206-F219 HydrophobicContact CB-CZ 3.73Å; F210-F219 HydrophobicContact CB-CD1 4.33Å; F210-F219 AromaticContact CD1-CD1 3.7Å; F210-F219 HydrophobicContact CD1-CD1 3.7Å; F210-F219 AromaticContact CD1-CE1 3.91Å; F210-F219 HydrophobicContact CD1-CE1 3.91Å; F210-F219 HydrophobicContact CD2-CB 4.15Å; F210-F219 AromaticContact CD2-CD1 3.82Å; F210-F219 HydrophobicContact CD2-CD1 3.82Å; F210-F219 HydrophobicContact CD2-CG 4.39Å; F210-F219 AromaticContact CE1-CD1 3.92Å; F210-F219 HydrophobicContact CE1-CD1 3.92Å; F210-F219 HydrophobicContact CE1-CE1 4.18Å; F210-F219 HydrophobicContact CE2-CB 4.44Å; F210-F219 HydrophobicContact CE2-CD1 4.03Å; F210-F219 AromaticContact CG-CD1 3.65Å; F210-F219 HydrophobicContact CG-CD1 3.65Å; F210-F219 HydrophobicContact CG-CE1 4.23Å; F210-F219 HydrophobicContact CG-CG 4.44Å; F210-F219 HydrophobicContact CZ-CD1 4.08Å; F219-V221 HydrophobicContact CD2-CG2 4.05Å; F219-V221 HydrophobicContact CE2-CG2 4.15Å
220	Y	92.9	Very high	87	Confident	44 Å²	44	62 Å²	62	17%	0.173	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	143.4	173.9	73.8	-66.8	0	0	0	112.6	F138 L177 V179 V197 N198 Y199 L200 I234	F138-Y220 HydrophobicContact CE1-CD1 4.15Å; F138-Y220 HydrophobicContact CE1-CD2 4.12Å; F138-Y220 HydrophobicContact CE1-CE1 4.46Å; F138-Y220 HydrophobicContact CE1-CE2 4.44Å; F138-Y220 AromaticContact CE1-CG 3.97Å; F138-Y220 HydrophobicContact CE1-CG 3.97Å; L177-Y220 WeakPolarHBondContact O-CA 3.48Å; L177-Y220 WeakPolarHBondContact O-CB 3.43Å; V179-Y220 HydrophobicContact CB-CD2 3.75Å; V179-Y220 HydrophobicContact CB-CE2 3.9Å; V179-Y220 HydrophobicContact CG1-CD2 3.72Å; V179-Y220 HydrophobicContact CG1-CE2 3.77Å; V179-Y220 HydrophobicContact CG2-CE2 4.45Å; V197-Y220 HydrophobicContact CG1-CD1 3.72Å; V197-Y220 HydrophobicContact CG1-CE1 4.24Å; N198-Y220 WeakPolarHBondContact O-CD1 3.31Å; N198-Y220 PolarHBondContact O-N 3.17Å; Y199-Y220 VanDerWaalsContact CA-CE1 3.47Å; Y199-Y220 HydrophobicContact CD2-CD2 4.45Å; Y199-Y220 HydrophobicContact CD2-CE1 4.31Å; Y199-Y220 HydrophobicContact CD2-CE2 4.07Å; Y199-Y220 AromaticContact CD2-CZ 3.99Å; Y199-Y220 HydrophobicContact CG-CE1 4.44Å; L200-Y220 PolarHBondContact N-O 3.48Å; Y220-I234 HydrophobicContact CD2-CD1 3.5Å; Y220-I234 HydrophobicContact CE2-CD1 3.52Å
221	V	90.2	Very high	87	Confident	2 Å²	2	62.8 Å²	62.8	1%	0.012	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	-29.5	-178.5	-178.2	0	0	0	0	111.9	L200 L203 F219	L200-V221 HydrophobicContact CB-CG2 4.26Å; L203-V221 HydrophobicContact CD1-CG2 4.46Å; F219-V221 HydrophobicContact CD2-CG2 4.05Å; F219-V221 HydrophobicContact CE2-CG2 4.15Å
222	F	90	Very high	87	Confident	13 Å²	13	62.7 Å²	62.7	6%	0.057	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	150.5	-174.4	-61.6	-84.3	0	0	0	111.3	L152 F178 V179 S232 K233	L152-F222 HydrophobicContact CD2-CD1 3.81Å; L152-F222 HydrophobicContact CD2-CD2 3.85Å; L152-F222 HydrophobicContact CD2-CE1 3.57Å; L152-F222 HydrophobicContact CD2-CE2 3.64Å; L152-F222 HydrophobicContact CD2-CG 3.95Å; L152-F222 HydrophobicContact CD2-CZ 3.5Å; F178-F222 HydrophobicContact CD1-CB 3.64Å; F178-F222 HydrophobicContact CE1-CB 3.72Å; F178-F222 AromaticContact CE1-CD2 3.96Å; F178-F222 HydrophobicContact CE1-CD2 3.96Å; F178-F222 HydrophobicContact CE1-CG 4.15Å; V179-F222 PolarHBondContact N-O 2.91Å; F222-S232 WeakPolarHBondContact CA-O 3.28Å; F222-K233 HydrophobicContact CD1-CG 3.86Å; F222-K233 HydrophobicContact CE1-CD 4.27Å; F222-K233 HydrophobicContact CE1-CG 3.6Å
223	A	90.8	Very high	86.9	Confident	20 Å²	20	64.6 Å²	64.6	17%	0.165	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	134.7	167.1	0	0	0	0	0	110	V179 L231 S232 I234	V179-A223 HydrophobicContact CG1-CB 3.7Å; V179-A223 CarbonylContact O-C 3.43Å; V179-A223 VanDerWaalsContact O-CA 3.25Å; V179-A223 WeakPolarHBondContact O-CA 3.43Å; A223-L231 WeakPolarHBondContact O-CA 3.3Å; A223-S232 PolarHBondContact N-O 3.47Å; A223-S232 PolarHBondContact O-N 3.4Å; A223-S232 PolarHBondContact O-OG 2.75Å; A223-I234 HydrophobicContact CB-CG1 3.98Å
224	Y	91.6	Very high	86.8	Confident	11 Å²	11	59 Å²	59	4%	0.043	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	122.1	175.7	176.9	-119.9	0	0	0	109.8	Y139 I144 P145 V179 P226 L231	Y139-Y224 AromaticContact CD2-CD1 3.7Å; Y139-Y224 HydrophobicContact CD2-CD1 3.7Å; Y139-Y224 HydrophobicContact CD2-CE1 4.35Å; Y139-Y224 HydrophobicContact CE2-CD1 4.11Å; Y139-Y224 HydrophobicContact CE2-CE1 4.46Å; Y139-Y224 AromaticContact CG-CD1 3.94Å; Y139-Y224 HydrophobicContact CG-CD1 3.94Å; Y139-Y224 HydrophobicContact CG-CE1 4.39Å; I144-Y224 HydrophobicContact CD1-CG 4.49Å; I144-Y224 HydrophobicContact CG1-CD1 4.16Å; I144-Y224 HydrophobicContact CG1-CE1 4.43Å; I144-Y224 HydrophobicContact CG1-CG 4.23Å; I144-Y224 HydrophobicContact CG2-CD2 4.24Å; I144-Y224 HydrophobicContact CG2-CE2 4.15Å; P145-Y224 WeakPolarHBondContact CD-OH 3.39Å; V179-Y224 PolarHBondContact O-N 2.79Å; Y224-P226 HydrophobicContact CD1-CB 4.45Å; Y224-P226 HydrophobicContact CE1-CB 3.77Å; Y224-P226 WeakPolarHBondContact O-CD 3.08Å; Y224-L231 HydrophobicContact CD2-CD2 3.75Å; Y224-L231 HydrophobicContact CD2-CG 4.3Å; Y224-L231 HydrophobicContact CG-CD2 4.14Å
225	N	88.9	Confident	86.3	Confident	29 Å²	29	59.8 Å²	59.8	16%	0.155	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	108.6	173	175.8	-76.1	0	0	0	108.3	E181 T228 R229 R230	E181-N225 PolarHBondContact OE2-ND2 2.81Å; N225-T228 WeakPolarHBondContact OD1-CB 3.39Å; N225-T228 WeakPolarHBondContact OD1-CG2 3.2Å; N225-T228 PolarHBondContact OD1-N 3.4Å; N225-T228 PolarHBondContact OD1-OG1 2.66Å; N225-R229 WeakPolarHBondContact O-CA 3.38Å; N225-R229 PolarHBondContact O-N 3.45Å; N225-R230 PolarHBondContact N-O 3.1Å; N225-R230 PolarHBondContact O-N 3.01Å
226	P	87.2	Confident	85.4	Confident	30 Å²	30	55.5 Å²	55.5	20%	0.195	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-34.1	-172.1	23.5	-31.4	0	0	0	113.5	Y139 V182 Y224 T228 R229	Y139-P226 HydrophobicContact CE2-CG 4.37Å; V182-P226 HydrophobicContact CG2-CG 3.52Å; Y224-P226 HydrophobicContact CD1-CB 4.45Å; Y224-P226 HydrophobicContact CE1-CB 3.77Å; Y224-P226 WeakPolarHBondContact O-CD 3.08Å; P226-T228 PolarHBondContact O-N 3.28Å; P226-R229 VanDerWaalsContact O-CG 3.29Å; P226-R229 WeakPolarHBondContact O-CG 3.11Å; P226-R229 PolarHBondContact O-N 3.27Å
227	E	85.4	Confident	84.2	Confident	172 Å²	172	56.8 Å²	56.8	80%	0.804	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-50	177.1	-57.3	-174.4	139.3	0	0	111.9
228	T	85.9	Confident	83.3	Confident	69 Å²	69	62.4 Å²	62.4	42%	0.423	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-8.7	-178.6	66.3	0	0	0	0	113.2	N225 P226 R230	N225-T228 WeakPolarHBondContact OD1-CB 3.39Å; N225-T228 WeakPolarHBondContact OD1-CG2 3.2Å; N225-T228 PolarHBondContact OD1-N 3.4Å; N225-T228 PolarHBondContact OD1-OG1 2.66Å; P226-T228 PolarHBondContact O-N 3.28Å; T228-R230 VanDerWaalsContact C-N 3.27Å; T228-R230 PolarHBondContact O-N 3Å
229	R	86.4	Confident	82.5	Confident	158 Å²	158	68.5 Å²	68.5	60%	0.596	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	41.1	-173.1	-57.7	-176.6	-179.2	-166.6	-3.4	112.8	S148 N225 P226	S148-R229 WeakPolarHBondContact CB-O 3.4Å; S148-R229 PolarHBondContact OG-O 2.8Å; N225-R229 WeakPolarHBondContact O-CA 3.38Å; N225-R229 PolarHBondContact O-N 3.45Å; P226-R229 VanDerWaalsContact O-CG 3.29Å; P226-R229 WeakPolarHBondContact O-CG 3.11Å; P226-R229 PolarHBondContact O-N 3.27Å
230	R	82.7	Confident	81.7	Confident	175 Å²	175	73.7 Å²	73.7	66%	0.66	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114	139.8	-176.8	-71.4	174.7	-177.5	168.7	3.7	112.2	N225 T228	N225-R230 PolarHBondContact N-O 3.1Å; N225-R230 PolarHBondContact O-N 3.01Å; T228-R230 VanDerWaalsContact C-N 3.27Å; T228-R230 PolarHBondContact O-N 3Å
231	L	86	Confident	81	Confident	31 Å²	31	72.6 Å²	72.6	16%	0.162	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	145.3	163.4	-67.6	173.9	0	0	0	110.2	I144 S148 L152 F178 A223 Y224	I144-L231 HydrophobicContact CD1-CD2 4.39Å; I144-L231 HydrophobicContact CG2-CD1 4.48Å; S148-L231 WeakPolarHBondContact O-CD1 3.37Å; L152-L231 HydrophobicContact CD1-CD1 3.75Å; L152-L231 HydrophobicContact CD2-CD1 3.85Å; L152-L231 HydrophobicContact CG-CD1 3.61Å; F178-L231 HydrophobicContact CD1-CD2 3.53Å; F178-L231 HydrophobicContact CE1-CD1 4.3Å; F178-L231 HydrophobicContact CE1-CD2 3.81Å; A223-L231 WeakPolarHBondContact O-CA 3.3Å; Y224-L231 HydrophobicContact CD2-CD2 3.75Å; Y224-L231 HydrophobicContact CD2-CG 4.3Å; Y224-L231 HydrophobicContact CG-CD2 4.14Å
232	S	81.5	Confident	80.6	Confident	63 Å²	63	78 Å²	78	44%	0.441	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	148.6	177.7	61	0	0	0	0	110.9	F222 A223	F222-S232 WeakPolarHBondContact CA-O 3.28Å; A223-S232 PolarHBondContact N-O 3.47Å; A223-S232 PolarHBondContact O-N 3.4Å; A223-S232 PolarHBondContact O-OG 2.75Å
233	K	79.5	Confident	80	Confident	62 Å²	62	81.8 Å²	81.8	27%	0.27	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	134.2	168.3	-72.2	-164.9	177.3	-171.1	0	108.9	D154 D202 F222 R235	D154-K233 IonicContact OD2-NZ 2.72Å; D154-K233 PolarHBondContact OD2-NZ 2.82Å; D202-K233 IonicContact OD1-NZ 2.63Å; D202-K233 PolarHBondContact OD1-NZ 2.85Å; F222-K233 HydrophobicContact CD1-CG 3.86Å; F222-K233 HydrophobicContact CE1-CD 4.27Å; F222-K233 HydrophobicContact CE1-CG 3.6Å; K233-R235 VanDerWaalsContact C-N 3.27Å; K233-R235 PolarHBondContact O-N 3.41Å
234	I	75.4	Confident	79.5	Confident	49 Å²	49	87.5 Å²	87.5	25%	0.251	43%	0.432	S	S	.	.	S	Bend	trans	-65.1	-35.4	179.5	-62.2	154.5	0	0	0	110.4	V179 Y199 Y220 A223 P2011	V179-I234 HydrophobicContact CG1-CD1 3.93Å; V179-I234 HydrophobicContact CG1-CG1 4.26Å; Y199-I234 HydrophobicContact CD2-CD1 4.11Å; Y199-I234 HydrophobicContact CE2-CB 4.23Å; Y199-I234 HydrophobicContact CE2-CD1 3.84Å; Y199-I234 HydrophobicContact CE2-CG2 4.36Å; Y220-I234 HydrophobicContact CD2-CD1 3.5Å; Y220-I234 HydrophobicContact CE2-CD1 3.52Å; A223-I234 HydrophobicContact CB-CG1 3.98Å; I234-P2011 WeakPolarHBondContact O-CD 3.23Å; I234-P2011 WeakPolarHBondContact O-CG 3.35Å
235	R	71.7	Confident	79.4	Confident	116 Å²	116	91.1 Å²	91.1	44%	0.438	45%	0.449	S	S	.	.	S	Bend	trans	-86.5	140	173.3	-167.9	175.9	-175.3	-170.3	2.2	110.9	K233	K233-R235 VanDerWaalsContact C-N 3.27Å; K233-R235 PolarHBondContact O-N 3.41Å
236	A	61.8	Low	79.2	Confident	35 Å²	35	92.4 Å²	92.4	29%	0.289	46%	0.463	S	S	.	.			trans	-66.6	135.9	177.9	0	0	0	0	0	113	I2008 L2010	A236-I2008 HydrophobicContact CB-CG2 4.39Å; A236-L2010 HydrophobicContact CB-CB 4.43Å; A236-L2010 HydrophobicContact CB-CD1 3.56Å; A236-L2010 HydrophobicContact CB-CG 3.86Å
237	E	62.4	Low	79.1	Confident	101 Å²	101	96.1 Å²	96.1	47%	0.472	49%	0.49	S	S	.	.			trans	-108.4	145.2	178.1	53.7	166.3	-173.4	0	0	113.2	R239	E237-R239 HydrophobicContact CG-CG 4.28Å; E237-R239 PolarHBondContact O-N 2.69Å; E237-R239 IonicContact OE1-CZ 3.01Å; E237-R239 IonicContact OE1-NE 2.97Å; E237-R239 PolarHBondContact OE1-NE 2.82Å; E237-R239 IonicContact OE1-NH2 3.61Å; E237-R239 PolarHBondContact OE1-NH2 3.29Å
238	I	72.6	Confident	79	Confident	118 Å²	118	94.3 Å²	94.3	61%	0.605	49%	0.485	S	S	*	.			trans	-89.7	104.6	174.3	-58	176.5	0	0	0	109.5	V240 I2008	I238-V240 PolarHBondContact O-N 2.88Å; I238-I2008 HydrophobicContact CD1-CD1 3.83Å; I238-I2008 HydrophobicContact CD1-CG1 4.39Å; I238-I2008 HydrophobicContact CG1-CD1 3.89Å; I238-I2008 HydrophobicContact CG1-CG1 3.88Å
239	R	76.3	Confident	79	Confident	140 Å²	140	96.2 Å²	96.2	53%	0.528	50%	0.499	S	S	.	.			trans	-80.3	103.6	-175.6	-64.3	-169.4	170.2	176.8	-0.2	113.4	E237 G241 Y244	E237-R239 HydrophobicContact CG-CG 4.28Å; E237-R239 PolarHBondContact O-N 2.69Å; E237-R239 IonicContact OE1-CZ 3.01Å; E237-R239 IonicContact OE1-NE 2.97Å; E237-R239 PolarHBondContact OE1-NE 2.82Å; E237-R239 IonicContact OE1-NH2 3.61Å; E237-R239 PolarHBondContact OE1-NH2 3.29Å; R239-G241 PolarHBondContact O-N 3.47Å; R239-Y244 HydrophobicContact CB-CD1 4.11Å; R239-Y244 HydrophobicContact CB-CD2 3.58Å; R239-Y244 HydrophobicContact CB-CE1 4.23Å; R239-Y244 HydrophobicContact CB-CE2 3.72Å; R239-Y244 HydrophobicContact CB-CG 3.8Å; R239-Y244 VanDerWaalsContact CD-CZ 3.47Å; R239-Y244 WeakPolarHBondContact CD-OH 3.15Å; R239-Y244 HydrophobicContact CG-CE2 4.4Å; R239-Y244 PolarHBondContact NH1-OH 3.03Å; R239-Y244 WeakPolarHBondContact O-CB 3.32Å
240	V	77.3	Confident	78.8	Confident	109 Å²	109	97.1 Å²	97.1	66%	0.661	51%	0.51	S	S	*	.			trans	-88.6	103.5	177.2	-178.2	0	0	0	0	111.2	I238	I238-V240 PolarHBondContact O-N 2.88Å
241	G	77.7	Confident	78.6	Confident	21 Å²	21	95.8 Å²	95.8	22%	0.216	51%	0.509	C	S	.	.	S	Bend	trans	-167.1	173.3	179.5	0	0	0	0	0	115.7	R239 A243 Y244 Q245	R239-G241 PolarHBondContact O-N 3.47Å; G241-A243 PolarHBondContact O-N 3.05Å; G241-Y244 PolarHBondContact O-N 2.88Å; G241-Q245 WeakPolarHBondContact O-CB 3.45Å; G241-Q245 PolarHBondContact O-N 3.09Å
242	Q	80.8	Confident	78.1	Confident	116 Å²	116	104 Å²	104	54%	0.542	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-19.5	-179	-48.7	-162.6	35.7	0	0	113.9	R310	Q242-R310 VanDerWaalsContact CD-CZ 3.44Å
243	A	78.9	Confident	77.7	Confident	92 Å²	92	106.9 Å²	106.9	76%	0.76	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-15.2	176.1	0	0	0	0	0	113.3	G241	G241-A243 PolarHBondContact O-N 3.05Å
244	Y	80.6	Confident	76.6	Confident	141 Å²	141	113.5 Å²	113.5	55%	0.553	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.5	-41.4	-171.9	-54	-67.3	0	0	0	112	R239 G241	R239-Y244 HydrophobicContact CB-CD1 4.11Å; R239-Y244 HydrophobicContact CB-CD2 3.58Å; R239-Y244 HydrophobicContact CB-CE1 4.23Å; R239-Y244 HydrophobicContact CB-CE2 3.72Å; R239-Y244 HydrophobicContact CB-CG 3.8Å; R239-Y244 VanDerWaalsContact CD-CZ 3.47Å; R239-Y244 WeakPolarHBondContact CD-OH 3.15Å; R239-Y244 HydrophobicContact CG-CE2 4.4Å; R239-Y244 PolarHBondContact NH1-OH 3.03Å; R239-Y244 WeakPolarHBondContact O-CB 3.32Å; G241-Y244 PolarHBondContact O-N 2.88Å
245	Q	88	Confident	75.5	Confident	86 Å²	86	115 Å²	115	40%	0.402	59%	0.586	S	S	.	*	S	Bend	trans	-73.8	127.9	175	-68.1	-174.5	-27.3	0	0	111.7	G241	G241-Q245 WeakPolarHBondContact O-CB 3.45Å; G241-Q245 PolarHBondContact O-N 3.09Å
246	A	85.5	Confident	74.6	Confident	56 Å²	56	115.2 Å²	115.2	46%	0.463	60%	0.603	S	S	.	*			trans	-56.8	146.7	168.9	0	0	0	0	0	112.4	L248	A246-L248 PolarHBondContact O-N 3.04Å
247	S	84.5	Confident	73.8	Confident	108 Å²	108	117.9 Å²	117.9	76%	0.755	63%	0.625	S	S	*	*			trans	-79.4	99.1	166.5	57.8	0	0	0	0	109.4	P249	S247-P249 WeakPolarHBondContact O-CD 3.47Å
248	L	83.9	Confident	73	Confident	135 Å²	135	121.1 Å²	121.1	71%	0.707	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-49.3	124.7	175.1	-63.2	177.3	0	0	0	110.7	A246	A246-L248 PolarHBondContact O-N 3.04Å
249	P	84.6	Confident	71.6	Confident	108 Å²	108	122.5 Å²	122.5	70%	0.701	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-64.7	140.2	175.5	-22.2	33.9	0	0	0	111.9	S247 F251	S247-P249 WeakPolarHBondContact O-CD 3.47Å; P249-F251 PolarHBondContact O-N 3.42Å
250	E	83.4	Confident	69.5	Low	177 Å²	177	123.5 Å²	123.5	83%	0.827	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-59.1	131.3	171.4	-175.8	179.1	-143.9	0	0	110.8	R252	E250-R252 WeakPolarHBondContact O-CG 2.97Å; E250-R252 PolarHBondContact O-N 2.83Å
251	F	78.2	Confident	67.5	Low	148 Å²	148	127.8 Å²	127.8	65%	0.649	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-61.3	120.1	-178.2	-173.9	-105	0	0	0	110.7	P249 H253	P249-F251 PolarHBondContact O-N 3.42Å; F251-H253 HydrophobicContact CD1-CB 4.45Å; F251-H253 WeakPolarHBondContact CD1-O 3.34Å; F251-H253 HydrophobicContact CE1-CB 3.83Å; F251-H253 WeakPolarHBondContact CE1-O 3.07Å; F251-H253 HydrophobicContact CZ-CB 4.01Å; F251-H253 PolarHBondContact O-N 2.71Å
252	R	74.8	Confident	65.4	Low	204 Å²	204	130.1 Å²	130.1	77%	0.77	68%	0.679	S	S	*	*			trans	-93.3	7	-165	-60	-170.9	173.1	161.5	-1.9	115	E250	E250-R252 WeakPolarHBondContact O-CG 2.97Å; E250-R252 PolarHBondContact O-N 2.83Å
253	H	73.6	Confident	63.2	Low	123 Å²	123	131.6 Å²	131.6	57%	0.569	69%	0.685	S	S	*	*	S	Bend	trans	-125.3	163.3	-171.7	-67.3	-114.3	0	0	0	109.3	F251	F251-H253 HydrophobicContact CD1-CB 4.45Å; F251-H253 WeakPolarHBondContact CD1-O 3.34Å; F251-H253 HydrophobicContact CE1-CB 3.83Å; F251-H253 WeakPolarHBondContact CE1-O 3.07Å; F251-H253 HydrophobicContact CZ-CB 4.01Å; F251-H253 PolarHBondContact O-N 2.71Å
254	F	57.6	Low	61.1	Low	201 Å²	201	132.1 Å²	132.1	88%	0.882	68%	0.683	S	S	*	*			trans	-79	139.3	160.7	-82.1	-96.3	0	0	0	107.5
255	P	51.7	Low	59	Low	80 Å²	80	137.1 Å²	137.1	52%	0.519	70%	0.701	S	S	.	*			trans	-62.6	142.1	173.6	27.1	-33.8	0	0	0	109.8	A257	P255-A257 PolarHBondContact O-N 2.72Å
256	P	53.4	Low	56.2	Low	121 Å²	121	135.8 Å²	135.8	79%	0.786	71%	0.71	S	S	*	*	S	Bend	trans	-62.8	-18	176.2	-24.8	35.5	0	0	0	114.6	M258	P256-M258 PolarHBondContact O-N 3.04Å
257	A	44.9	Very low	53.7	Low	91 Å²	91	141.1 Å²	141.1	75%	0.752	73%	0.731	S	S	*	*			trans	-74.3	44.7	-170.6	0	0	0	0	0	116	P255	P255-A257 PolarHBondContact O-N 2.72Å
258	M	45.5	Very low	51.1	Low	169 Å²	169	145.6 Å²	145.6	83%	0.833	74%	0.737	S	S	*	*	S	Bend	trans	-139.1	37.2	163.9	-73.9	-154.3	77.9	0	0	111.8	P256	P256-M258 PolarHBondContact O-N 3.04Å
259	Y	41.7	Very low	48.7	Very low	147 Å²	147	150.1 Å²	150.1	58%	0.576	75%	0.745	S	S	*	*			trans	-145	43.1	179	-93.5	-55.6	0	0	0	114.6	K364 R1160	Y259-K364 WeakPolarHBondContact O-CE 3.47Å; Y259-K364 PolarHBondContact O-NZ 2.94Å; Y259-R1160 VanDerWaalsContact CG-NH2 3.29Å
260	R	33.8	Very low	45.9	Very low	160 Å²	160	151 Å²	151	60%	0.604	75%	0.751	S	S	*	*	S	Bend	trans	-131.7	137.8	137.7	-58	-171.5	-167	-151.6	4.7	103.6
261	F	33.4	Very low	43.5	Very low	200 Å²	200	150.3 Å²	150.3	88%	0.877	75%	0.751	S	S	*	*	S	Bend	cis	-111.9	177.9	0.6	-73.6	-107.5	0	0	0	111.1
262	G	34.3	Very low	41.2	Very low	70 Å²	70	152.9 Å²	152.9	72%	0.722	76%	0.757	S	S	*	*			trans	128.6	32.7	167.9	0	0	0	0	0	117.6	S264	G262-S264 VanDerWaalsContact C-N 3.29Å; G262-S264 PolarHBondContact O-N 2.82Å
263	H	34	Very low	39.1	Very low	147 Å²	147	154.4 Å²	154.4	68%	0.681	76%	0.762	S	S	*	*			trans	-88.7	63.4	162.4	-75.9	145	0	0	0	111.1
264	S	35.4	Very low	37	Very low	103 Å²	103	153.5 Å²	153.5	72%	0.72	77%	0.769	S	S	*	*			trans	-121.8	103.7	163.9	-161.4	0	0	0	0	111.3	G262	G262-S264 VanDerWaalsContact C-N 3.29Å; G262-S264 PolarHBondContact O-N 2.82Å
265	R	36	Very low	35.7	Very low	246 Å²	246	154.5 Å²	154.5	93%	0.928	77%	0.767	S	S	*	*			trans	32.7	122.6	145.4	-54.2	177.6	-175.8	-176.9	2	118.4
266	G	30.5	Very low	34.9	Very low	58 Å²	58	160.8 Å²	160.8	60%	0.598	79%	0.787	S	S	*	*			trans	117.9	93.7	140.2	0	0	0	0	0	119.8	F268	G266-F268 PolarHBondContact O-N 2.59Å
267	N	31.9	Very low	33.7	Very low	168 Å²	168	159 Å²	159	90%	0.898	78%	0.777	S	S	*	*				49.2	41.7	120.2	-66.9	-17.4	0	0	0	121.9
268	F	30.4	Very low	33	Very low	202 Å²	202	164.6 Å²	164.6	89%	0.886	78%	0.784	S	S	*	*			trans	-115.9	116.8	160.5	-82.9	-77.8	0	0	0	115	G266	G266-F268 PolarHBondContact O-N 2.59Å
269	R	33.4	Very low	32.2	Very low	229 Å²	229	162.4 Å²	162.4	86%	0.864	78%	0.775	S	S	*	*			trans	-68.6	141.3	176.9	-65.3	177	175.7	-179.5	-1	110	I271	R269-I271 PolarHBondContact O-N 3.01Å
270	P	26.9	Very low	31.5	Very low	127 Å²	127	160.2 Å²	160.2	83%	0.825	77%	0.768	S	S	*	*			trans	-67.9	105.8	-174.9	26.7	-34.8	0	0	0	111.8	R272	P270-R272 PolarHBondContact O-N 2.96Å
271	I	32	Very low	31.1	Very low	162 Å²	162	158.5 Å²	158.5	83%	0.831	77%	0.77	S	S	*	*			trans	-65.4	103.1	176.1	-65.1	179.8	0	0	0	109.1	R269 R273	R269-I271 PolarHBondContact O-N 3.01Å; I271-R273 PolarHBondContact O-N 3.29Å; I271-R273 VanDerWaalsContact O-N 3.15Å
272	R	29.9	Very low	30.7	Very low	203 Å²	203	152.6 Å²	152.6	77%	0.766	75%	0.746	S	S	*	*			trans	-67.9	107	168.6	-74.4	175.5	165.5	-175.8	-4.3	109.8	P270	P270-R272 PolarHBondContact O-N 2.96Å
273	R	30.2	Very low	30.3	Very low	236 Å²	236	155.2 Å²	155.2	89%	0.891	75%	0.747	S	S	*	*			trans	-169.6	146.7	131.1	-102.5	143.2	-174.8	175.8	0.1	112.9	I271	I271-R273 PolarHBondContact O-N 3.29Å; I271-R273 VanDerWaalsContact O-N 3.15Å
274	S	29.4	Very low	30	Very low	103 Å²	103	152 Å²	152	72%	0.72	74%	0.742	S	S	*	*				17.9	135.2	126.7	-123.5	0	0	0	0	117.4
275	R	31.6	Very low	29.4	Very low	222 Å²	222	157.1 Å²	157.1	84%	0.838	75%	0.747	S	S	*	*			cis	-139.4	156.7	35	-72.9	174.3	169.1	146	-4	113.6	S277	R275-S277 VanDerWaalsContact C-N 3.28Å; R275-S277 PolarHBondContact O-N 2.88Å
276	K	34.3	Very low	28.9	Very low	213 Å²	213	152.4 Å²	152.4	93%	0.926	73%	0.733	S	S	*	*			trans	-71.8	83.9	153.7	-70.3	175.9	178.6	173.3	0	108.9	K278	K276-K278 PolarHBondContact O-N 3.18Å
277	S	27.5	Very low	28.7	Very low	83 Å²	83	154.8 Å²	154.8	58%	0.58	74%	0.741	S	S	*	*			trans	-82.1	104.7	159.1	36.1	0	0	0	0	107.5	R275 I279	R275-S277 VanDerWaalsContact C-N 3.28Å; R275-S277 PolarHBondContact O-N 2.88Å; S277-I279 PolarHBondContact O-N 2.83Å
278	K	31.9	Very low	28.8	Very low	208 Å²	208	153.1 Å²	153.1	90%	0.904	73%	0.732	S	S	*	*			trans	-81.1	60.4	175.1	-166.4	172.1	-177.3	170.6	0	109.5	K276 K280	K276-K278 PolarHBondContact O-N 3.18Å; K278-K280 PolarHBondContact O-N 2.57Å
279	I	27.1	Very low	28.7	Very low	123 Å²	123	152 Å²	152	63%	0.631	73%	0.729	S	S	*	*			trans	-77.4	115.1	-178.2	-77	170.7	0	0	0	108.1	S277 L281	S277-I279 PolarHBondContact O-N 2.83Å; I279-L281 HydrophobicContact CG2-CB 3.73Å; I279-L281 HydrophobicContact CG2-CD1 3.9Å; I279-L281 HydrophobicContact CG2-CG 4.36Å
280	K	27.9	Very low	28.4	Very low	102 Å²	102	147.5 Å²	147.5	44%	0.443	72%	0.722	S	S	.	*			trans	-102.6	88.5	165.2	-175.2	-144	172	-121.5	0	102.9	K278 I1553 H1554 D1555	K278-K280 PolarHBondContact O-N 2.57Å; K280-I1553 HydrophobicContact CD-CG2 4.22Å; K280-I1553 HydrophobicContact CG-CG2 3.64Å; K280-H1554 WeakPolarHBondContact CD-NE2 3.46Å; K280-H1554 WeakPolarHBondContact CE-CD2 3.16Å; K280-H1554 VanDerWaalsContact CE-NE2 3.3Å; K280-H1554 WeakPolarHBondContact CE-NE2 3.46Å; K280-H1554 VanDerWaalsContact CG-NE2 3.28Å; K280-H1554 WeakPolarHBondContact CG-NE2 3.36Å; K280-H1554 PolarHBondContact NZ-CD2 2.96Å; K280-H1554 PolarHBondContact NZ-CE1 3.3Å; K280-H1554 PolarHBondContact NZ-ND1 3Å; K280-H1554 PolarHBondContact NZ-NE2 2.82Å; K280-H1554 PolarHBondContact O-NE2 2.94Å; K280-D1555 IonicContact NZ-OD1 3.3Å; K280-D1555 PolarHBondContact NZ-OD1 3.08Å
281	L	24.5	Very low	28.5	Very low	123 Å²	123	148.1 Å²	148.1	64%	0.644	72%	0.717	S	S	*	*			trans	-136.3	128.3	170.7	-104.8	86.7	0	0	0	106	I279	I279-L281 HydrophobicContact CG2-CB 3.73Å; I279-L281 HydrophobicContact CG2-CD1 3.9Å; I279-L281 HydrophobicContact CG2-CG 4.36Å
282	E	25.3	Very low	28.5	Very low	77 Å²	77	145.8 Å²	145.8	36%	0.36	71%	0.706	S	S	.	*			trans	-70.5	165.6	142	-37.9	96	113.3	0	0	109.2	H1554	E282-H1554 VanDerWaalsContact CD-CB 3.48Å; E282-H1554 WeakPolarHBondContact OE1-CB 3.45Å; E282-H1554 IonicContact OE1-CG 2.76Å; E282-H1554 WeakPolarHBondContact OE2-CB 3.5Å; E282-H1554 IonicContact OE2-CD2 2.93Å; E282-H1554 PolarHBondContact OE2-CD2 2.9Å; E282-H1554 IonicContact OE2-CE1 3.3Å; E282-H1554 IonicContact OE2-CG 3.98Å; E282-H1554 IonicContact OE2-ND1 2.9Å; E282-H1554 PolarHBondContact OE2-ND1 2.87Å; E282-H1554 IonicContact OE2-NE2 2.72Å
283	T	25.9	Very low	28.6	Very low	124 Å²	124	141 Å²	141	76%	0.761	70%	0.7	S	S	*	*			trans	62.9	152.7	175.9	76.3	0	0	0	0	114.3
284	S	27.3	Very low	28.9	Very low	80 Å²	80	134 Å²	134	56%	0.559	68%	0.679	S	S	*	*			cis	-163.4	144.6	-18.2	158.7	0	0	0	0	105.4
285	Y	23	Very low	29.5	Very low	211 Å²	211	136 Å²	136	83%	0.827	68%	0.675	S	S	*	*			trans	-164.6	88.5	146	-104.3	-78.4	0	0	0	104.4
286	K	26.3	Very low	29.3	Very low	146 Å²	146	130.5 Å²	130.5	64%	0.635	67%	0.67	S	S	*	*				72.2	93.9	85.3	-78	177.7	154.9	-165.3	0	111.9
287	S	27.1	Very low	28.9	Very low	109 Å²	109	125.3 Å²	125.3	76%	0.762	66%	0.659	S	S	*	*				-170.2	132.1	111.7	54.7	0	0	0	0	109.6
288	D	33.3	Very low	28.7	Very low	133 Å²	133	127.6 Å²	127.6	71%	0.711	66%	0.664	S	S	*	*			cis	-154.6	170.4	-20.5	-90.8	-46.8	0	0	0	106.9
289	Q	28.7	Very low	28.4	Very low	177 Å²	177	126 Å²	126	83%	0.827	65%	0.652	S	S	*	*			trans	69	134.2	179.9	-62.4	170.8	-4.4	0	0	115
290	D	26.9	Very low	28.3	Very low	136 Å²	136	123.8 Å²	123.8	73%	0.727	64%	0.638	S	S	*	*			cis	105.1	142	22.3	-71	-42	0	0	0	113.2
291	I	28	Very low	28.3	Very low	139 Å²	139	122.5 Å²	122.5	71%	0.713	64%	0.642	S	S	*	*			trans	60.4	89.1	148.5	-64.4	161.6	0	0	0	117.2
292	N	32.5	Very low	28.4	Very low	113 Å²	113	122 Å²	122	60%	0.604	64%	0.636	S	S	*	*				158.6	139.7	114.9	-88	-22.8	0	0	0	112.5
293	T	32.8	Very low	28.6	Very low	102 Å²	102	121.3 Å²	121.3	63%	0.626	64%	0.64	S	S	*	*			cis	74	95.7	23.3	-44.9	0	0	0	0	111.6
294	L	35.1	Very low	28.6	Very low	89 Å²	89	121.1 Å²	121.1	47%	0.466	63%	0.633	S	S	.	*			cis	-142.7	149.7	23.2	-65.7	164.9	0	0	0	109.4	N387 Y1542 T1543	L294-N387 PolarHBondContact O-OD1 3.2Å; L294-Y1542 CarbonylContact C-O 3.24Å; L294-Y1542 VanDerWaalsContact C-O 3.26Å; L294-Y1542 CarbonylContact O-C 3.06Å; L294-T1543 PolarHBondContact O-OG1 2.9Å
295	K	42.4	Very low	28.6	Very low	146 Å²	146	122 Å²	122	64%	0.635	64%	0.64	S	S	*	*			cis	-163.9	132.7	26.2	-136	163.7	-175.2	179.3	0	113.5	Y1542	K295-Y1542 PolarHBondContact N-O 2.87Å
296	C	27	Very low	29.2	Very low	107 Å²	107	116.6 Å²	116.6	72%	0.723	63%	0.631	S	S	*	*			trans	29.9	116.9	139.1	-62.5	0	0	0	0	122.6
297	C	25.9	Very low	29.3	Very low	103 Å²	103	119.6 Å²	119.6	70%	0.696	64%	0.639	S	S	*	*				83.4	121.3	114.1	-67.9	0	0	0	0	122.8
298	L	24.9	Very low	29.4	Very low	131 Å²	131	124.9 Å²	124.9	69%	0.686	64%	0.644	S	S	*	*			trans	70	145.4	136.2	-83.9	87.4	0	0	0	119.5
299	R	24.6	Very low	29.2	Very low	176 Å²	176	124.3 Å²	124.3	66%	0.664	63%	0.632	S	S	*	*			cis	-179.2	144.6	-22.8	-131.7	-172.4	-169.1	171.2	1.2	110.9	L1098	R299-L1098 HydrophobicContact CB-CD2 4.28Å; R299-L1098 WeakPolarHBondContact O-CD2 3.47Å
300	K	25.6	Very low	29.1	Very low	75 Å²	75	121.7 Å²	121.7	33%	0.326	61%	0.614	S	S	.	*			trans	64.9	138.1	158.3	-46.8	138.6	141.7	-109.7	0	117.1	L1098 T1099 T1100	K300-L1098 HydrophobicContact CD-CB 4.49Å; K300-L1098 HydrophobicContact CD-CD2 3.58Å; K300-L1098 PolarHBondContact NZ-O 2.98Å; K300-T1099 VanDerWaalsContact C-OG1 3.24Å; K300-T1099 WeakPolarHBondContact CB-O 3.4Å; K300-T1099 WeakPolarHBondContact CB-OG1 3.34Å; K300-T1099 WeakPolarHBondContact CD-O 3.49Å; K300-T1099 WeakPolarHBondContact CE-O 3.19Å; K300-T1099 WeakPolarHBondContact CG-O 3.27Å; K300-T1099 PolarHBondContact NZ-O 3.08Å; K300-T1099 PolarHBondContact O-OG1 3.4Å; K300-T1100 HydrophobicContact CG-CG2 4.3Å; K300-T1100 PolarHBondContact NZ-OG1 3.17Å
301	S	28.2	Very low	29.2	Very low	76 Å²	76	123.6 Å²	123.6	53%	0.531	62%	0.616	S	S	.	*			cis	87.1	113.3	6.9	84.2	0	0	0	0	121.7	T1099 T1100 S1101	S301-T1099 CarbonylContact O-C 3.6Å; S301-T1100 CarbonylContact O-C 3.06Å; S301-T1100 WeakPolarHBondContact O-CA 3.16Å; S301-T1100 PolarHBondContact O-N 2.93Å; S301-T1100 VanDerWaalsContact O-N 3.11Å; S301-S1101 PolarHBondContact O-N 2.99Å
302	H	26.7	Very low	29	Very low	111 Å²	111	127.2 Å²	127.2	51%	0.514	62%	0.623	S	S	.	*			trans	-161.6	160.6	163.6	-100.3	-38.7	0	0	0	109.7	T1099 T1100	H302-T1099 HydrophobicContact CB-CG2 4.42Å; H302-T1100 PolarHBondContact CD2-N 2.94Å; H302-T1100 PolarHBondContact NE2-O 3.38Å
303	S	27.7	Very low	28.7	Very low	63 Å²	63	130.1 Å²	130.1	44%	0.441	63%	0.625	S	S	.	*			cis	172.5	163	-46.4	58.9	0	0	0	0	109.4
304	L	27.6	Very low	28.3	Very low	120 Å²	120	129.9 Å²	129.9	63%	0.628	63%	0.626	S	S	*	*			cis	-165.6	155.9	7.4	-134.8	178.4	0	0	0	110.1	S1102	L304-S1102 WeakPolarHBondContact CD1-O 3.23Å
305	S	27.1	Very low	27.9	Very low	99 Å²	99	135.1 Å²	135.1	69%	0.692	65%	0.645	S	S	*	*			trans	-163.4	162.8	173.7	-168.2	0	0	0	0	110.6
306	P	35.9	Very low	27.2	Very low	98 Å²	98	132.5 Å²	132.5	64%	0.636	65%	0.651	S	S	*	*				-129.1	-158.5	-50.1	38.1	-22	0	0	0	113.5
307	Y	27.9	Very low	27	Very low	208 Å²	208	135.3 Å²	135.3	82%	0.816	66%	0.656	S	S	*	*			trans	80.2	170.6	170	-80.1	-66.1	0	0	0	120.8
308	Y	27.8	Very low	27.2	Very low	221 Å²	221	138.9 Å²	138.9	87%	0.867	66%	0.659	S	S	*	*				-150.1	120.7	-126.7	-148.9	-101.8	0	0	0	115.3
309	R	30	Very low	27.3	Very low	120 Å²	120	137.9 Å²	137.9	45%	0.453	66%	0.664	S	S	.	*			trans	-167.7	117.7	152.2	-113.5	171.1	-169.4	-145.9	4.7	118.6
310	R	27.4	Very low	27.3	Very low	122 Å²	122	135.5 Å²	135.5	46%	0.46	67%	0.668	S	S	.	*			trans	53.6	104.4	142.5	-62.1	178.8	-157.9	-159.3	8.7	122	Q242	Q242-R310 VanDerWaalsContact CD-CZ 3.44Å
311	K	27.8	Very low	27.4	Very low	176 Å²	176	137 Å²	137	77%	0.765	68%	0.684	S	S	*	*				40.8	121.2	126.2	-60.3	-175.5	178.3	-175.8	0	120.4
312	Y	24.5	Very low	27.3	Very low	215 Å²	215	139.8 Å²	139.8	84%	0.843	70%	0.698	S	S	*	*				-177	122.1	109.9	-103.2	-67.6	0	0	0	115.5
313	R	25.9	Very low	27.3	Very low	175 Å²	175	138.1 Å²	138.1	66%	0.66	70%	0.703	S	S	*	*			trans	70.9	123.2	152.2	-102.4	-172.8	163.4	165.6	-6.1	123.4	D1802	R313-D1802 IonicContact CZ-OD1 3.27Å; R313-D1802 IonicContact CZ-OD2 3.63Å; R313-D1802 IonicContact NH2-OD1 3.04Å; R313-D1802 PolarHBondContact NH2-OD1 3.28Å; R313-D1802 IonicContact NH2-OD2 2.83Å; R313-D1802 PolarHBondContact NH2-OD2 3.4Å
314	C	24.1	Very low	27.3	Very low	96 Å²	96	142.2 Å²	142.2	65%	0.649	72%	0.72	S	S	*	*			trans	98.1	99.1	137	-68.2	0	0	0	0	122.8
315	K	26.3	Very low	27.4	Very low	199 Å²	199	141.1 Å²	141.1	87%	0.865	72%	0.722	S	S	*	*				60.9	102.4	129.7	-72	-170.7	173.4	-174.3	0	121.6
316	A	27.3	Very low	27.4	Very low	92 Å²	92	143.1 Å²	143.1	76%	0.76	73%	0.725	S	S	*	*				90.2	133.6	102.8	0	0	0	0	0	122.7
317	M	24.7	Very low	26.9	Very low	165 Å²	165	145.1 Å²	145.1	81%	0.813	73%	0.731	S	S	*	*			trans	82.5	99	151.6	-73.3	-169.9	168.6	0	0	122.3
318	K	28.9	Very low	26.9	Very low	178 Å²	178	141.6 Å²	141.6	77%	0.774	73%	0.726	S	S	*	*				85.3	143.2	116.2	-78.3	-169.3	168.2	-165.1	0	121.4
319	S	26.3	Very low	27	Very low	111 Å²	111	136 Å²	136	78%	0.776	71%	0.711	S	S	*	*			trans	69.8	133.9	149.5	35.5	0	0	0	0	119.3
320	V	26.6	Very low	27.1	Very low	125 Å²	125	137.3 Å²	137.3	76%	0.758	73%	0.727	S	S	*	*			cis	-162.1	166.4	-11.6	83.6	0	0	0	0	111.6
321	T	26	Very low	27.2	Very low	108 Å²	108	137.2 Å²	137.2	66%	0.663	75%	0.745	S	S	*	*			trans	59.9	117.9	162.2	47.6	0	0	0	0	121.9
322	T	25.8	Very low	27.4	Very low	134 Å²	134	135.3 Å²	135.3	82%	0.822	74%	0.743	S	S	*	*				43.6	147.9	124	63.5	0	0	0	0	121.4
323	A	27.4	Very low	27.6	Very low	76 Å²	76	128.4 Å²	128.4	63%	0.628	73%	0.73	S	S	*	*			cis	-150.2	158.5	9.2	0	0	0	0	0	113.6
324	D	27.1	Very low	27.9	Very low	149 Å²	149	126.7 Å²	126.7	80%	0.797	73%	0.734	S	S	*	*			trans	58.2	138.1	138.3	-48.5	-20.2	0	0	0	125.4
325	S	30.7	Very low	28.4	Very low	96 Å²	96	124.6 Å²	124.6	67%	0.671	71%	0.714	S	S	*	*			trans	60.9	116.8	146.6	-74.1	0	0	0	0	124.7
326	D	27.7	Very low	28.4	Very low	141 Å²	141	120.8 Å²	120.8	75%	0.754	70%	0.703	S	S	*	*				52.7	114.6	116	-43.7	-41.7	0	0	0	120.1
327	N	25.7	Very low	29.1	Very low	141 Å²	141	122 Å²	122	75%	0.754	69%	0.694	S	S	*	*				-165.9	-174.5	84.5	-140.4	-35.8	0	0	0	112.3
328	N	27.2	Very low	29.2	Very low	134 Å²	134	115.5 Å²	115.5	72%	0.717	66%	0.664	S	S	*	*			trans	-84.9	175.5	-166.4	-101.2	-64.3	0	0	0	117
329	N	29.6	Very low	29.1	Very low	104 Å²	104	112.1 Å²	112.1	56%	0.556	65%	0.654	S	S	*	*			trans	-76.4	176.3	-170.6	-50.5	-88.5	0	0	0	115.3
330	N	32.3	Very low	29.7	Very low	147 Å²	147	110.1 Å²	110.1	79%	0.786	64%	0.635	S	S	*	*			trans	92.1	101	154.6	-62.7	-8.2	0	0	0	119.9
331	S	28.9	Very low	30.3	Very low	119 Å²	119	106.5 Å²	106.5	83%	0.832	61%	0.613	S	S	*	*			trans	-147.8	109.1	134.3	-169.8	0	0	0	0	104
332	L	31.5	Very low	30.5	Very low	137 Å²	137	107.9 Å²	107.9	72%	0.717	62%	0.616	S	S	*	*			cis	71.9	138.7	35.4	-140	173.5	0	0	0	111.2
333	A	29.6	Very low	31	Very low	69 Å²	69	106.3 Å²	106.3	57%	0.57	60%	0.602	S	S	*	*			trans	65.2	140.9	-168.1	0	0	0	0	0	114.3	Q335	A333-Q335 HydrophobicContact CB-CB 4.46Å
334	N	32.7	Very low	31	Very low	139 Å²	139	109.6 Å²	109.6	74%	0.743	61%	0.608	S	S	*	*	S	Bend	cis	-93.3	125.6	8.6	-73	-15.1	0	0	0	112.3
335	Q	34	Very low	31.1	Very low	52 Å²	52	105.8 Å²	105.8	24%	0.243	59%	0.593	C	S	.	*				75.2	95.5	57.4	-175.3	-164.1	-92.8	0	0	109.6	A333 K1203	A333-Q335 HydrophobicContact CB-CB 4.46Å; Q335-K1203 VanDerWaalsContact CG-CA 3.5Å; Q335-K1203 HydrophobicContact CG-CB 4.08Å
336	L	26.3	Very low	31.5	Very low	120 Å²	120	106.6 Å²	106.6	63%	0.628	59%	0.59	S	S	*	*			cis	80.3	152	25.6	-49.5	159.8	0	0	0	114.4	S1201 C1202 K1203 S1204	L336-S1201 PolarHBondContact N-O 3.5Å; L336-C1202 CarbonylContact O-C 3.28Å; L336-C1202 VanDerWaalsContact O-C 3.24Å; L336-C1202 VanDerWaalsContact O-CA 3.3Å; L336-C1202 WeakPolarHBondContact O-CA 3.49Å; L336-C1202 PolarHBondContact O-N 2.73Å; L336-K1203 PolarHBondContact O-N 2.75Å; L336-S1204 PolarHBondContact O-OG 2.62Å
337	M	41.7	Very low	31.7	Very low	116 Å²	116	104.2 Å²	104.2	57%	0.571	58%	0.582	S	S	*	*			trans	-163.1	139.9	173.6	-94.2	-155.5	-180	0	0	105	C1202 K1203 S1204	M337-C1202 WeakPolarHBondContact CE-O 3.19Å; M337-K1203 WeakPolarHBondContact CE-O 3.11Å; M337-S1204 WeakPolarHBondContact CA-OG 3.32Å; M337-S1204 PolarHBondContact N-OG 2.99Å
338	T	27.5	Very low	31.9	Very low	30 Å²	30	100.9 Å²	100.9	18%	0.184	56%	0.564	C	S	.	*			cis	48	127.3	16.3	114.3	0	0	0	0	116.9	D340 S1204 P1205	T338-D340 WeakPolarHBondContact CA-OD1 3.34Å; T338-D340 WeakPolarHBondContact CB-OD1 3.37Å; T338-D340 VanDerWaalsContact CG2-OD1 3.3Å; T338-D340 WeakPolarHBondContact CG2-OD1 3.47Å; T338-S1204 WeakPolarHBondContact OG1-CA 3.19Å; T338-S1204 PolarHBondContact OG1-N 3.11Å; T338-S1204 VanDerWaalsContact OG1-N 3.07Å; T338-P1205 HydrophobicContact CG2-CB 4.13Å
339	N	25.6	Very low	32.4	Very low	106 Å²	106	97.7 Å²	97.7	57%	0.567	55%	0.549	S	S	*	.			cis	-103.9	160.4	13.7	-54.3	-19.4	0	0	0	111	P1866	N339-P1866 HydrophobicContact CB-CB 4.32Å; N339-P1866 WeakPolarHBondContact O-CB 3.49Å
340	D	39.1	Very low	32.6	Very low	69 Å²	69	96.6 Å²	96.6	37%	0.369	54%	0.544	S	S	.	.				-160.8	-86.8	-55.8	-106.6	6.1	0	0	0	107.9	T338 P1866 Q1870	T338-D340 WeakPolarHBondContact CA-OD1 3.34Å; T338-D340 WeakPolarHBondContact CB-OD1 3.37Å; T338-D340 VanDerWaalsContact CG2-OD1 3.3Å; T338-D340 WeakPolarHBondContact CG2-OD1 3.47Å; D340-P1866 CarbonylContact C-O 3.49Å; D340-Q1870 PolarHBondContact O-OE1 3.16Å
341	T	40.9	Very low	33.2	Very low	50 Å²	50	93.5 Å²	93.5	31%	0.307	53%	0.533	S	S	.	.			cis	-154.5	178.9	-11.2	-50.9	0	0	0	0	107.4	P1866 Q1870	T341-P1866 WeakPolarHBondContact CB-O 3.32Å; T341-P1866 PolarHBondContact N-O 3.39Å; T341-P1866 VanDerWaalsContact N-O 3.08Å; T341-P1866 WeakPolarHBondContact OG1-CB 3.22Å; T341-P1866 WeakPolarHBondContact OG1-CG 3.43Å; T341-P1866 PolarHBondContact OG1-O 3.31Å; T341-Q1870 WeakPolarHBondContact O-CB 3.02Å; T341-Q1870 WeakPolarHBondContact O-CG 3.03Å; T341-Q1870 PolarHBondContact O-NE2 3.07Å
342	L	29.9	Very low	33.4	Very low	136 Å²	136	91.6 Å²	91.6	71%	0.712	52%	0.518	S	S	*	.			trans	-103.6	120.7	-177.1	-78.4	167.3	0	0	0	114.7
343	N	35.8	Very low	33	Very low	101 Å²	101	88 Å²	88	54%	0.54	50%	0.502	S	S	.	.			trans	-158.5	151.3	143.4	-99	-26.8	0	0	0	106.9
344	I	28.2	Very low	33.1	Very low	145 Å²	145	91.1 Å²	91.1	74%	0.744	51%	0.508	S	S	*	.			cis	62.7	70.3	27.3	-46.4	-174.3	0	0	0	110.2
345	S	28.4	Very low	32.6	Very low	69 Å²	69	85.5 Å²	85.5	48%	0.483	48%	0.48	S	S	.	.			cis	-138.5	-141.6	39.3	30.3	0	0	0	0	113.7	P347 R1871	S345-P347 VanDerWaalsContact OG-CD 3.29Å; S345-P347 WeakPolarHBondContact OG-CD 3.5Å; S345-R1871 PolarHBondContact O-NH2 3.25Å
346	N	38.1	Very low	32	Very low	113 Å²	113	88.4 Å²	88.4	60%	0.604	49%	0.494	S	S	*	.			cis	30.6	-171.7	34.8	-92.3	76.9	0	0	0	113	D348 R1871	N346-D348 PolarHBondContact ND2-OD1 3.33Å; N346-R1871 VanDerWaalsContact N-NH2 3.12Å
347	P	33.2	Very low	31.7	Very low	92 Å²	92	87 Å²	87	60%	0.597	49%	0.487	S	S	*	.				-57.4	148	-69.4	16.2	1.5	0	0	0	109.4	S345	S345-P347 VanDerWaalsContact OG-CD 3.29Å; S345-P347 WeakPolarHBondContact OG-CD 3.5Å
348	D	29.8	Very low	30.8	Very low	71 Å²	71	83.9 Å²	83.9	38%	0.38	47%	0.473	S	S	.	.			cis	-155.5	-133.6	6.5	-111.1	-9.2	0	0	0	111.9	E44 N346	E44-D348 PolarHBondContact N-OD2 3.16Å; N346-D348 PolarHBondContact ND2-OD1 3.33Å
349	T	36.4	Very low	30.8	Very low	66 Å²	66	83.8 Å²	83.8	41%	0.405	47%	0.471	S	S	.	.				-148.7	169.5	-123.8	39.4	0	0	0	0	109.9
350	D	34.4	Very low	31	Very low	81 Å²	81	83.7 Å²	83.7	43%	0.433	47%	0.471	S	S	.	.			trans	57.1	-164.8	-172.6	-95.4	9.3	0	0	0	109.9	R46	R46-D350 VanDerWaalsContact CB-OD2 3.31Å; R46-D350 WeakPolarHBondContact CB-OD2 3.29Å; R46-D350 WeakPolarHBondContact CD-OD2 3.35Å; R46-D350 WeakPolarHBondContact CG-OD2 3.24Å; R46-D350 IonicContact CZ-OD2 3.69Å; R46-D350 IonicContact NE-OD2 2.84Å; R46-D350 IonicContact NH1-OD2 2.87Å; R46-D350 PolarHBondContact NH1-OD2 3.44Å
351	S	44.7	Very low	30.3	Very low	82 Å²	82	84.7 Å²	84.7	57%	0.573	47%	0.472	S	S	*	.				-153	-179.7	-55.4	60.5	0	0	0	0	108.9
352	P	32.8	Very low	29.7	Very low	79 Å²	79	83.4 Å²	83.4	51%	0.513	46%	0.464	S	S	.	.			cis	-126.8	-19.8	-8.4	9.7	14.9	0	0	0	117.5
353	T	25	Very low	30	Very low	62 Å²	62	83 Å²	83	38%	0.38	46%	0.461	S	S	.	.			trans	-120.7	171.6	-140.7	46.5	0	0	0	0	116.6	E1171 E1172 E1173	T353-E1171 WeakPolarHBondContact CB-O 2.93Å; T353-E1171 PolarHBondContact OG1-O 3.07Å; T353-E1172 WeakPolarHBondContact CB-O 3.44Å; T353-E1172 WeakPolarHBondContact CG2-O 3.49Å; T353-E1173 WeakPolarHBondContact CG2-O 3.42Å
354	I	31.1	Very low	30	Very low	135 Å²	135	81 Å²	81	69%	0.692	45%	0.448	S	S	*	.			cis	106.2	-137.7	17	-50.2	160.3	0	0	0	113.5	E1170 E1171 E1172	I354-E1170 CarbonylContact O-C 3.58Å; I354-E1170 VanDerWaalsContact O-CA 3.31Å; I354-E1170 WeakPolarHBondContact O-CA 3.17Å; I354-E1170 PolarHBondContact O-N 3.45Å; I354-E1170 VanDerWaalsContact O-N 3.1Å; I354-E1171 CarbonylContact C-O 3.59Å; I354-E1172 CarbonylContact C-O 3.05Å
355	S	21.6	Very low	30.4	Very low	21 Å²	21	77 Å²	77	15%	0.147	43%	0.432	C	S	.	.			trans	32.5	176.9	-157.8	174.8	0	0	0	0	119.5	E1170 E1171 E1172	S355-E1170 CarbonylContact C-O 3.56Å; S355-E1170 WeakPolarHBondContact CA-O 3.09Å; S355-E1170 WeakPolarHBondContact CB-O 3.28Å; S355-E1170 PolarHBondContact OG-O 3.47Å; S355-E1170 VanDerWaalsContact OG-O 3.14Å; S355-E1171 PolarHBondContact N-O 3.23Å; S355-E1172 WeakPolarHBondContact CA-O 3.37Å; S355-E1172 VanDerWaalsContact CB-CB 3.46Å; S355-E1172 WeakPolarHBondContact CB-O 3.39Å; S355-E1172 WeakPolarHBondContact CB-OE2 3.23Å; S355-E1172 PolarHBondContact N-O 3.44Å; S355-E1172 WeakPolarHBondContact OG-CG 3.26Å; S355-E1172 PolarHBondContact OG-OE2 2.93Å
356	M	21.2	Very low	30.6	Very low	112 Å²	112	78 Å²	78	55%	0.552	44%	0.438	S	S	*	.			trans	-54.3	122.5	173.5	-40	-57.9	145.5	0	0	108.9	V1169 E1170	M356-V1169 CarbonylContact C-O 3.6Å; M356-V1169 VanDerWaalsContact C-O 3.27Å; M356-V1169 CarbonylContact O-C 3.55Å; M356-V1169 WeakPolarHBondContact O-CB 3.24Å; M356-V1169 WeakPolarHBondContact O-CG1 3.49Å; M356-E1170 CarbonylContact C-O 3.59Å; M356-E1170 PolarHBondContact N-O 3.36Å
357	L	19.8	Very low	30.4	Very low	91 Å²	91	76.5 Å²	76.5	48%	0.476	44%	0.437	S	S	.	.				-156.7	126.2	75.2	-89.3	171.9	0	0	0	112.3	V1169	L357-V1169 HydrophobicContact CB-CB 4.08Å; L357-V1169 HydrophobicContact CB-CG2 4.37Å; L357-V1169 HydrophobicContact CD1-CB 4.3Å; L357-V1169 HydrophobicContact CD1-CG2 4.04Å; L357-V1169 HydrophobicContact CG-CB 4.4Å; L357-V1169 PolarHBondContact N-O 2.88Å
358	N	23.6	Very low	30.5	Very low	51 Å²	51	78.3 Å²	78.3	27%	0.273	44%	0.442	S	S	.	.				44	100.1	121.4	-89.3	-53.7	0	0	0	118.6	N524	N358-N524 VanDerWaalsContact CG-CG 3.43Å; N358-N524 PolarHBondContact ND2-ND2 2.71Å; N358-N524 VanDerWaalsContact OD1-CA 3.25Å; N358-N524 WeakPolarHBondContact OD1-CA 3.43Å; N358-N524 WeakPolarHBondContact OD1-CB 3.19Å; N358-N524 PolarHBondContact OD1-O 3.04Å; N358-N524 PolarHBondContact OD1-OD1 2.96Å
359	N	26.3	Very low	30.6	Very low	28 Å²	28	81.3 Å²	81.3	15%	0.15	46%	0.457	C	S	.	.	S	Bend		76.3	131	97.6	-176.5	60.5	0	0	0	119.7	K361 S523 N524 S527	N359-K361 WeakPolarHBondContact O-CG 3.34Å; N359-K361 PolarHBondContact O-N 3.02Å; N359-S523 PolarHBondContact ND2-O 3.4Å; N359-S523 PolarHBondContact OD1-O 3.37Å; N359-N524 VanDerWaalsContact ND2-CA 3.34Å; N359-N524 WeakPolarHBondContact ND2-CA 3.18Å; N359-N524 PolarHBondContact ND2-N 2.91Å; N359-N524 PolarHBondContact ND2-OD1 3.33Å; N359-S527 WeakPolarHBondContact CA-OG 2.94Å; N359-S527 VanDerWaalsContact OD1-CB 3.31Å; N359-S527 WeakPolarHBondContact OD1-CB 3.45Å; N359-S527 PolarHBondContact OD1-OG 3.37Å
360	N	30.7	Very low	30.5	Very low	103 Å²	103	83.6 Å²	83.6	55%	0.551	47%	0.467	S	S	*	.			trans	53.7	9.4	158.4	-82.2	-52.4	0	0	0	117.9	T362 S523	N360-T362 WeakPolarHBondContact O-CA 3.08Å; N360-T362 PolarHBondContact O-N 2.93Å; N360-S523 PolarHBondContact ND2-O 2.94Å
361	K	25.4	Very low	30.3	Very low	91 Å²	91	85.6 Å²	85.6	40%	0.396	48%	0.477	S	S	.	.			trans	-78	119.6	-175.2	-87.6	167.6	171.2	-89.3	0	110.4	N359 E1165	N359-K361 WeakPolarHBondContact O-CG 3.34Å; N359-K361 PolarHBondContact O-N 3.02Å; K361-E1165 CarbonylContact C-O 3.54Å; K361-E1165 HydrophobicContact CB-CB 3.7Å; K361-E1165 HydrophobicContact CD-CB 3.9Å; K361-E1165 HydrophobicContact CG-CB 3.72Å; K361-E1165 IonicContact NZ-OE2 2.69Å; K361-E1165 PolarHBondContact NZ-OE2 3.35Å
362	T	27.3	Very low	29.7	Very low	22 Å²	22	88.5 Å²	88.5	14%	0.135	49%	0.485	C	S	.	.			cis	-142.8	163.1	-14.9	-86.8	0	0	0	0	108.8	N360 K364 S1162 Q1163 E1165	N360-T362 WeakPolarHBondContact O-CA 3.08Å; N360-T362 PolarHBondContact O-N 2.93Å; T362-K364 VanDerWaalsContact CG2-N 3.32Å; T362-S1162 CarbonylContact O-C 3.27Å; T362-S1162 VanDerWaalsContact O-C 3.24Å; T362-Q1163 HydrophobicContact CG2-CB 3.66Å; T362-Q1163 HydrophobicContact CG2-CG 4.48Å; T362-Q1163 PolarHBondContact N-O 3.2Å; T362-Q1163 CarbonylContact O-C 3.22Å; T362-E1165 VanDerWaalsContact CB-OE1 3.29Å; T362-E1165 WeakPolarHBondContact CB-OE1 3.4Å; T362-E1165 VanDerWaalsContact CG2-OE1 3.24Å; T362-E1165 WeakPolarHBondContact CG2-OE1 3.31Å; T362-E1165 PolarHBondContact N-O 3.04Å; T362-E1165 PolarHBondContact OG1-OE1 2.91Å; T362-E1165 PolarHBondContact OG1-OE2 2.77Å
363	L	36.3	Very low	29.7	Very low	127 Å²	127	89.6 Å²	89.6	67%	0.665	50%	0.495	S	S	*	.	S	Bend	trans	-118.6	31.9	169	-69.1	-170.7	0	0	0	116.8	S1161 S1162	L363-S1161 CarbonylContact O-C 3.43Å; L363-S1161 VanDerWaalsContact O-O 3.07Å; L363-S1162 VanDerWaalsContact CA-N 3.34Å; L363-S1162 VanDerWaalsContact CD2-O 3.28Å; L363-S1162 WeakPolarHBondContact CD2-O 3.11Å; L363-S1162 PolarHBondContact O-N 2.94Å
364	K	35.6	Very low	30.2	Very low	60 Å²	60	91.1 Å²	91.1	26%	0.261	51%	0.508	S	S	.	.			trans	73.9	149.3	179.8	-105.6	-169.3	-171.9	63.9	0	115	Y259 T362 S1162 Q1163	Y259-K364 WeakPolarHBondContact O-CE 3.47Å; Y259-K364 PolarHBondContact O-NZ 2.94Å; T362-K364 VanDerWaalsContact CG2-N 3.32Å; K364-S1162 WeakPolarHBondContact CD-OG 3.5Å; K364-S1162 VanDerWaalsContact CG-CB 3.47Å; K364-S1162 WeakPolarHBondContact CG-OG 3.32Å; K364-S1162 VanDerWaalsContact NZ-CB 3.28Å; K364-S1162 PolarHBondContact NZ-OG 3.36Å; K364-Q1163 HydrophobicContact CG-CG 4.25Å
365	P	36.3	Very low	30.4	Very low	62 Å²	62	91.6 Å²	91.6	40%	0.403	51%	0.512	S	S	.	.			cis	-147	-164.8	-47.3	36.3	-15.6	0	0	0	113.6
366	S	32.5	Very low	31	Very low	88 Å²	88	97.3 Å²	97.3	62%	0.615	54%	0.54	S	S	*	.				14.4	135.3	126	87	0	0	0	0	117.5
367	S	33.6	Very low	31.5	Very low	83 Å²	83	98.5 Å²	98.5	58%	0.58	55%	0.545	S	S	*	.			cis	176.8	177.3	5.7	34.3	0	0	0	0	108.2
368	D	35.2	Very low	32.2	Very low	130 Å²	130	100.4 Å²	100.4	70%	0.695	56%	0.559	S	S	*	*				154.9	141.6	112.2	-76.7	-29.6	0	0	0	109.8
369	D	33.5	Very low	32.4	Very low	133 Å²	133	101.6 Å²	101.6	71%	0.711	57%	0.569	S	S	*	*			trans	70.8	141.2	145	-69.2	7.5	0	0	0	119.7
370	N	32.9	Very low	32.7	Very low	114 Å²	114	104.9 Å²	104.9	61%	0.61	59%	0.593	S	S	*	*			cis	-175.1	162.2	-4.2	-123.6	-31.3	0	0	0	116.4
371	L	31.5	Very low	33.1	Very low	123 Å²	123	107.4 Å²	107.4	64%	0.644	60%	0.601	S	S	*	*			trans	72.8	115.6	143.6	-61.9	159.8	0	0	0	124.2
372	I	32.4	Very low	33.3	Very low	143 Å²	143	109.3 Å²	109.3	73%	0.733	62%	0.615	S	S	*	*				67.9	122.4	122.9	-63.4	-179.2	0	0	0	120.3
373	S	32	Very low	33.7	Very low	103 Å²	103	114.8 Å²	114.8	72%	0.72	64%	0.643	S	S	*	*				-167.5	165.7	103.5	-153.3	0	0	0	0	115.7
374	S	36.5	Very low	33.4	Very low	93 Å²	93	114.3 Å²	114.3	65%	0.65	65%	0.645	S	S	*	*			trans	48.7	100	164.3	41.2	0	0	0	0	117
375	N	33.9	Very low	33.3	Very low	145 Å²	145	119 Å²	119	78%	0.775	67%	0.672	S	S	*	*				44.3	115.5	70.5	-55.3	-27.8	0	0	0	113.5
376	N	34.5	Very low	33.2	Very low	141 Å²	141	119.8 Å²	119.8	75%	0.754	68%	0.677	S	S	*	*				-157	133.5	101.5	-97.7	-24.3	0	0	0	110.1
377	H	31.1	Very low	33	Very low	138 Å²	138	118.8 Å²	118.8	64%	0.639	67%	0.665	S	S	*	*				67.3	119	94.3	-121.3	-57.4	0	0	0	110	T379	H377-T379 PolarHBondContact CE1-OG1 2.91Å; H377-T379 VanDerWaalsContact CE1-OG1 3.28Å; H377-T379 WeakPolarHBondContact ND1-CG2 3.23Å; H377-T379 PolarHBondContact ND1-OG1 3.08Å
378	V	35.1	Very low	32.6	Very low	130 Å²	130	119.7 Å²	119.7	79%	0.788	66%	0.663	S	S	*	*			cis	-128.5	115.7	34.2	162.6	0	0	0	0	109
379	T	28.6	Very low	32.4	Very low	76 Å²	76	115.4 Å²	115.4	47%	0.466	64%	0.643	S	S	.	*				61.8	135.6	63.5	66.1	0	0	0	0	115.4	H377	H377-T379 PolarHBondContact CE1-OG1 2.91Å; H377-T379 VanDerWaalsContact CE1-OG1 3.28Å; H377-T379 WeakPolarHBondContact ND1-CG2 3.23Å; H377-T379 PolarHBondContact ND1-OG1 3.08Å
380	C	31.8	Very low	32	Very low	97 Å²	97	111.8 Å²	111.8	66%	0.655	62%	0.621	S	S	*	*			trans	70	149.5	172	-57.6	0	0	0	0	115.9
381	E	39.1	Very low	31.6	Very low	156 Å²	156	108.9 Å²	108.9	73%	0.729	61%	0.606	S	S	*	*			cis	-92.7	160.1	-21.7	-101.6	83.8	-135.7	0	0	108.5
382	I	30.1	Very low	31.1	Very low	132 Å²	132	106 Å²	106	68%	0.677	59%	0.593	S	S	*	*				57.5	153.8	55.6	-46.4	175.7	0	0	0	110.7
383	D	34.8	Very low	31.3	Very low	136 Å²	136	106.8 Å²	106.8	73%	0.727	59%	0.591	S	S	*	*			trans	51.5	89.6	177.4	-63.2	-21.3	0	0	0	115.1
384	T	29.5	Very low	31.2	Very low	117 Å²	117	104.3 Å²	104.3	72%	0.718	57%	0.57	S	S	*	*			cis	-168	142.4	29.4	16	0	0	0	0	114.2
385	I	34.3	Very low	31.2	Very low	159 Å²	159	101.3 Å²	101.3	82%	0.815	55%	0.549	S	S	*	.			trans	-71.1	139.3	130.6	-15.6	172.4	0	0	0	105.4
386	P	35.4	Very low	31.3	Very low	79 Å²	79	97.8 Å²	97.8	51%	0.513	53%	0.528	S	S	.	.	S	Bend		-156.1	-74.9	92.8	37	-14.9	0	0	0	117.6	Y1542	P386-Y1542 HydrophobicContact CB-CE1 3.64Å; P386-Y1542 VanDerWaalsContact CB-OH 3.29Å; P386-Y1542 WeakPolarHBondContact CB-OH 3.43Å; P386-Y1542 HydrophobicContact CG-CE1 4.4Å; P386-Y1542 WeakPolarHBondContact CG-OH 3.27Å; P386-Y1542 WeakPolarHBondContact O-CD1 3.42Å; P386-Y1542 WeakPolarHBondContact O-CE1 3.39Å
387	N	27.4	Very low	31.6	Very low	67 Å²	67	93.6 Å²	93.6	36%	0.358	50%	0.504	S	S	.	.	S	Bend	trans	-138.9	138.5	-157.5	-36.7	-106.3	0	0	0	92.4	L294 Y1542	L294-N387 PolarHBondContact O-OD1 3.2Å; N387-Y1542 HydrophobicContact CB-CD1 2.31Å; N387-Y1542 HydrophobicContact CB-CD2 2.3Å; N387-Y1542 HydrophobicContact CB-CE1 2.3Å; N387-Y1542 HydrophobicContact CB-CE2 2.31Å; N387-Y1542 HydrophobicContact CB-CG 2.32Å; N387-Y1542 WeakPolarHBondContact CB-OH 3.49Å; N387-Y1542 VanDerWaalsContact CG-CG 3.49Å; N387-Y1542 VanDerWaalsContact N-CE2 3.3Å; N387-Y1542 PolarHBondContact N-OH 2.87Å; N387-Y1542 WeakPolarHBondContact ND2-CE1 3.16Å; N387-Y1542 PolarHBondContact ND2-OH 3.38Å; N387-Y1542 WeakPolarHBondContact O-CE2 3.12Å; N387-Y1542 VanDerWaalsContact OD1-CD1 3.23Å; N387-Y1542 WeakPolarHBondContact OD1-CD1 3.41Å; N387-Y1542 WeakPolarHBondContact OD1-CE1 3.39Å
388	L	25	Very low	31.6	Very low	102 Å²	102	91.1 Å²	91.1	53%	0.534	50%	0.496	S	S	.	.			trans	101.8	97.1	169.5	-51.9	170.7	0	0	0	118.7	E390 A1540 S1541 Y1542	L388-E390 HydrophobicContact CB-CG 4.03Å; L388-E390 WeakPolarHBondContact CB-OE1 3.13Å; L388-E390 WeakPolarHBondContact CD2-OE1 3.46Å; L388-A1540 HydrophobicContact CD2-CB 4.15Å; L388-S1541 WeakPolarHBondContact CA-OG 3.48Å; L388-S1541 PolarHBondContact N-OG 2.92Å; L388-Y1542 HydrophobicContact CB-CD2 4.27Å; L388-Y1542 HydrophobicContact CB-CE2 4.39Å; L388-Y1542 HydrophobicContact CD1-CE2 4.27Å; L388-Y1542 HydrophobicContact CD2-CD2 3.79Å; L388-Y1542 HydrophobicContact CD2-CE2 4.31Å; L388-Y1542 HydrophobicContact CG-CD2 3.6Å; L388-Y1542 HydrophobicContact CG-CE2 3.63Å
389	S	30.2	Very low	32.2	Very low	40 Å²	40	85 Å²	85	28%	0.28	46%	0.459	S	S	.	.				83.6	-135.5	89.6	-33.6	0	0	0	0	112.2	S1328 A1540 S1541	S389-S1328 PolarHBondContact O-OG 3.13Å; S389-A1540 VanDerWaalsContact CB-N 3.33Å; S389-A1540 WeakPolarHBondContact OG-CA 3.45Å; S389-A1540 PolarHBondContact OG-N 3.29Å; S389-S1541 PolarHBondContact OG-OG 3.19Å
390	E	26.6	Very low	32.7	Very low	56 Å²	56	84.4 Å²	84.4	26%	0.262	45%	0.454	S	S	.	.			cis	-138.3	128.9	2.3	-79	-73.6	82.3	0	0	111.5	L388 S1327 N1539	L388-E390 HydrophobicContact CB-CG 4.03Å; L388-E390 WeakPolarHBondContact CB-OE1 3.13Å; L388-E390 WeakPolarHBondContact CD2-OE1 3.46Å; E390-S1327 CarbonylContact C-O 3.37Å; E390-S1327 CarbonylContact O-C 3.37Å; E390-S1327 VanDerWaalsContact O-C 3.25Å; E390-S1327 WeakPolarHBondContact O-CA 3.34Å; E390-S1327 WeakPolarHBondContact O-CB 3.34Å; E390-S1327 PolarHBondContact O-N 2.72Å; E390-S1327 PolarHBondContact O-OG 2.97Å; E390-N1539 VanDerWaalsContact C-OD1 3.3Å; E390-N1539 WeakPolarHBondContact CA-OD1 3.2Å; E390-N1539 VanDerWaalsContact CD-CG 3.49Å; E390-N1539 PolarHBondContact OE1-ND2 3.2Å; E390-N1539 PolarHBondContact OE1-OD1 2.79Å; E390-N1539 VanDerWaalsContact OE1-OD1 3.08Å; E390-N1539 PolarHBondContact OE2-ND2 2.92Å
391	D	23.9	Very low	33.3	Very low	54 Å²	54	80.9 Å²	80.9	29%	0.289	43%	0.428	S	S	.	.			trans	82.8	133.3	135.3	-83.6	-74.1	0	0	0	119.5	S1327 P1538 N1539	D391-S1327 PolarHBondContact O-N 2.77Å; D391-P1538 HydrophobicContact CB-CB 4.31Å; D391-P1538 WeakPolarHBondContact OD1-CB 3.35Å; D391-N1539 WeakPolarHBondContact CA-OD1 3.16Å; D391-N1539 VanDerWaalsContact CG-ND2 3.35Å; D391-N1539 PolarHBondContact N-OD1 3.18Å; D391-N1539 PolarHBondContact OD1-ND2 3.47Å; D391-N1539 VanDerWaalsContact OD2-CG 3.28Å; D391-N1539 PolarHBondContact OD2-ND2 2.85Å; D391-N1539 PolarHBondContact OD2-OD1 3.39Å
392	T	21	Very low	33.8	Very low	61 Å²	61	78.8 Å²	78.8	37%	0.374	42%	0.42	S	S	.	.			trans	54.4	179.2	157.4	69.3	0	0	0	0	115.4	T1325 N1326 S1537	T392-T1325 PolarHBondContact OG1-O 3.18Å; T392-N1326 PolarHBondContact OG1-O 2.89Å; T392-S1537 WeakPolarHBondContact CA-O 3.31Å; T392-S1537 VanDerWaalsContact CG2-O 3.26Å; T392-S1537 WeakPolarHBondContact CG2-O 3.44Å; T392-S1537 PolarHBondContact N-O 3.2Å
393	K	36	Very low	34.8	Very low	160 Å²	160	76 Å²	76	70%	0.696	41%	0.406	S	S	*	.	S	Bend	cis	-74.1	147.7	-44.9	-78	-170.9	170.3	-175.6	0	107.8
394	N	31.4	Very low	35.7	Very low	52 Å²	52	72.9 Å²	72.9	28%	0.278	39%	0.392	S	S	.	.			cis	-168.8	151.3	6.3	-107.3	-2.6	0	0	0	113.3	L1535 T1536 S1537	N394-L1535 HydrophobicContact CB-CB 3.84Å; N394-L1535 HydrophobicContact CB-CD2 3.45Å; N394-L1535 VanDerWaalsContact CB-CD2 3.45Å; N394-L1535 HydrophobicContact CB-CG 4.09Å; N394-L1535 VanDerWaalsContact CG-CB 3.47Å; N394-L1535 VanDerWaalsContact ND2-CB 3.34Å; N394-L1535 WeakPolarHBondContact ND2-CB 3.38Å; N394-L1535 WeakPolarHBondContact ND2-CD2 3.15Å; N394-L1535 WeakPolarHBondContact ND2-CG 3.43Å; N394-T1536 WeakPolarHBondContact OD1-CA 3.32Å; N394-T1536 PolarHBondContact OD1-N 3.23Å; N394-S1537 WeakPolarHBondContact CA-OG 3.47Å; N394-S1537 PolarHBondContact N-OG 2.69Å
395	S	36	Very low	36.7	Very low	29 Å²	29	67.7 Å²	67.7	20%	0.203	36%	0.36	C	S	.	.	S	Bend	trans	-106.1	-115.8	-174.7	48.8	0	0	0	0	119.7	N1534 L1535 T1536 S1537	S395-N1534 CarbonylContact C-O 3.47Å; S395-N1534 VanDerWaalsContact C-O 3.22Å; S395-N1534 CarbonylContact O-C 3.58Å; S395-N1534 VanDerWaalsContact O-C 3.32Å; S395-N1534 VanDerWaalsContact O-O 3.08Å; S395-L1535 CarbonylContact C-O 3.42Å; S395-L1535 WeakPolarHBondContact CA-O 3.46Å; S395-L1535 VanDerWaalsContact CB-O 3.31Å; S395-L1535 WeakPolarHBondContact CB-O 3.38Å; S395-L1535 PolarHBondContact N-O 2.87Å; S395-L1535 PolarHBondContact O-N 2.67Å; S395-L1535 PolarHBondContact OG-O 3.12Å; S395-T1536 VanDerWaalsContact N-N 3.19Å; S395-T1536 PolarHBondContact OG-O 2.73Å; S395-S1537 VanDerWaalsContact CB-CA 3.48Å; S395-S1537 WeakPolarHBondContact OG-CA 3.48Å; S395-S1537 PolarHBondContact OG-N 2.69Å
396	E	34.7	Very low	37.5	Very low	71 Å²	71	62.9 Å²	62.9	33%	0.332	33%	0.334	S	S	.	.	S	Bend	cis	73.6	70	26.2	-65.4	144.7	-37.2	0	0	121.6	K1093 N1534 L1535 T1536	E396-K1093 HydrophobicContact CG-CD 3.75Å; E396-K1093 WeakPolarHBondContact OE1-CD 3.18Å; E396-K1093 WeakPolarHBondContact OE1-CE 3.29Å; E396-K1093 IonicContact OE1-NZ 3.85Å; E396-K1093 PolarHBondContact OE1-NZ 2.86Å; E396-K1093 WeakPolarHBondContact OE2-CD 3.33Å; E396-K1093 IonicContact OE2-NZ 2.59Å; E396-N1534 CarbonylContact C-O 3.48Å; E396-N1534 VanDerWaalsContact C-O 3.28Å; E396-N1534 VanDerWaalsContact CA-O 3.25Å; E396-N1534 WeakPolarHBondContact CA-O 3.31Å; E396-N1534 PolarHBondContact N-O 3.26Å; E396-L1535 CarbonylContact C-O 3.6Å; E396-L1535 WeakPolarHBondContact CA-O 3.37Å; E396-L1535 PolarHBondContact N-O 2.75Å; E396-L1535 CarbonylContact O-C 3.25Å; E396-T1536 PolarHBondContact O-OG1 3.03Å
397	E	40.9	Very low	37.9	Very low	53 Å²	53	63.1 Å²	63.1	25%	0.248	33%	0.328	C	S	.	.			trans	58.8	145.2	-175	-64	105.6	-107.3	0	0	115.5	N399 A1091 N1534 L1535 T1536	E397-N399 WeakPolarHBondContact CG-O 3.32Å; E397-A1091 VanDerWaalsContact OE1-CB 3.27Å; E397-A1091 WeakPolarHBondContact OE1-CB 3.48Å; E397-N1534 VanDerWaalsContact N-C 3.34Å; E397-N1534 PolarHBondContact N-O 3.46Å; E397-L1535 PolarHBondContact N-O 3.17Å; E397-L1535 CarbonylContact O-C 3.22Å; E397-L1535 WeakPolarHBondContact O-CA 3.41Å; E397-L1535 VanDerWaalsContact O-CB 3.28Å; E397-L1535 WeakPolarHBondContact O-CB 3.41Å; E397-T1536 WeakPolarHBondContact O-CG2 3.27Å; E397-T1536 PolarHBondContact O-N 2.75Å; E397-T1536 PolarHBondContact O-OG1 3.45Å; E397-T1536 VanDerWaalsContact O-OG1 3.13Å
398	N	32.8	Very low	38.2	Very low	87 Å²	87	64.2 Å²	64.2	47%	0.465	34%	0.337	S	S	.	.			cis	-94.2	100.4	30.2	-76.7	-6	0	0	0	115.1	N1534	N398-N1534 WeakPolarHBondContact O-CB 3.29Å; N398-N1534 PolarHBondContact O-ND2 2.16Å
399	N	47.6	Very low	38.4	Very low	2 Å²	2	65.6 Å²	65.6	1%	0.011	35%	0.345	C	S	.	.				-79.1	102.4	96.5	-166.6	96.4	0	0	0	108.2	E397 E401 Q405 M1088 L1089 I1532 L1533	E397-N399 WeakPolarHBondContact CG-O 3.32Å; N399-E401 VanDerWaalsContact CA-N 3.33Å; N399-E401 PolarHBondContact OD1-N 3.22Å; N399-Q405 PolarHBondContact ND2-NE2 3.42Å; N399-Q405 PolarHBondContact OD1-NE2 3.12Å; N399-Q405 PolarHBondContact OD1-OE1 2.72Å; N399-Q405 VanDerWaalsContact OD1-OE1 3.13Å; N399-M1088 WeakPolarHBondContact ND2-CA 3.41Å; N399-L1089 WeakPolarHBondContact ND2-CA 3.44Å; N399-L1089 WeakPolarHBondContact O-CD1 3.2Å; N399-I1532 HydrophobicContact CB-CD1 3.53Å; N399-I1532 HydrophobicContact CB-CG1 3.78Å; N399-I1532 HydrophobicContact CB-CG2 3.9Å; N399-I1532 VanDerWaalsContact OD1-CD1 3.31Å; N399-I1532 WeakPolarHBondContact OD1-CD1 3.24Å; N399-L1533 HydrophobicContact CB-CB 4.01Å; N399-L1533 HydrophobicContact CB-CD1 4.06Å
400	V	37.9	Very low	38.2	Very low	62 Å²	62	70 Å²	70	38%	0.376	36%	0.364	S	S	.	.				-80.5	103	56.1	162.1	0	0	0	0	114.2	M402 L1089	V400-M402 HydrophobicContact CG1-CG 4Å; V400-M402 PolarHBondContact O-N 3.46Å; V400-M402 VanDerWaalsContact O-N 3.16Å; V400-L1089 HydrophobicContact CG2-CD1 4.21Å
401	E	43.9	Very low	38.2	Very low	23 Å²	23	74.5 Å²	74.5	11%	0.107	39%	0.385	C	S	.	.				56.5	-98.8	105.9	178.3	-164.1	150.6	0	0	112.7	N399 D403 V404 S1086 S1087 M1088	N399-E401 VanDerWaalsContact CA-N 3.33Å; N399-E401 PolarHBondContact OD1-N 3.22Å; E401-D403 CarbonylContact O-C 3.22Å; E401-D403 WeakPolarHBondContact O-CA 3.5Å; E401-D403 PolarHBondContact O-N 2.65Å; E401-V404 PolarHBondContact O-N 2.9Å; E401-S1086 WeakPolarHBondContact OE1-CA 3.49Å; E401-S1086 VanDerWaalsContact OE1-CB 3.25Å; E401-S1086 WeakPolarHBondContact OE1-CB 3.44Å; E401-S1086 PolarHBondContact OE1-OG 2.87Å; E401-S1087 WeakPolarHBondContact OE1-CB 3.09Å; E401-S1087 WeakPolarHBondContact OE2-CA 3.3Å; E401-S1087 WeakPolarHBondContact OE2-CB 3.49Å; E401-M1088 PolarHBondContact OE2-N 3.17Å
402	M	49.9	Very low	38.4	Very low	113 Å²	113	78.3 Å²	78.3	56%	0.557	41%	0.406	S	S	*	.	S	Bend		-61.9	98.7	-128	-63.1	-165.7	86.7	0	0	115	V400	V400-M402 HydrophobicContact CG1-CG 4Å; V400-M402 PolarHBondContact O-N 3.46Å; V400-M402 VanDerWaalsContact O-N 3.16Å
403	D	52.6	Low	38.7	Very low	73 Å²	73	80.6 Å²	80.6	39%	0.39	42%	0.424	S	S	.	.	S	Bend	cis	-88.1	91.8	15.5	-66	-58.8	0	0	0	124.3	E401 T1084 V1085 S1086	E401-D403 CarbonylContact O-C 3.22Å; E401-D403 WeakPolarHBondContact O-CA 3.5Å; E401-D403 PolarHBondContact O-N 2.65Å; D403-T1084 WeakPolarHBondContact OD2-CA 3.3Å; D403-V1085 PolarHBondContact OD1-N 3.49Å; D403-V1085 PolarHBondContact OD2-N 3.44Å; D403-S1086 PolarHBondContact OD1-N 3.02Å
404	V	53	Low	38.8	Very low	70 Å²	70	79.3 Å²	79.3	42%	0.424	42%	0.423	S	S	.	.			trans	64.4	164.9	153.1	172.6	0	0	0	0	120.3	E401	E401-V404 PolarHBondContact O-N 2.9Å
405	Q	50.7	Low	39	Very low	9 Å²	9	82.6 Å²	82.6	4%	0.042	45%	0.447	C	S	.	.				-166.9	142.8	-53.1	-157.3	45.1	53.7	0	0	119	N399 S1087 M1088 E1531	N399-Q405 PolarHBondContact ND2-NE2 3.42Å; N399-Q405 PolarHBondContact OD1-NE2 3.12Å; N399-Q405 PolarHBondContact OD1-OE1 2.72Å; N399-Q405 VanDerWaalsContact OD1-OE1 3.13Å; Q405-S1087 VanDerWaalsContact CD-O 3.27Å; Q405-S1087 WeakPolarHBondContact CG-O 3.21Å; Q405-S1087 PolarHBondContact NE2-O 3.3Å; Q405-S1087 VanDerWaalsContact OE1-CA 3.31Å; Q405-M1088 VanDerWaalsContact CD-N 3.28Å; Q405-M1088 PolarHBondContact NE2-O 3.03Å; Q405-E1531 VanDerWaalsContact C-OE1 3.25Å; Q405-E1531 PolarHBondContact N-OE1 3.25Å
406	Q	50	Low	38.8	Very low	58 Å²	58	87.3 Å²	87.3	27%	0.271	47%	0.469	S	S	.	.			trans	66.7	176.7	166.7	-83.1	150.4	31.8	0	0	114.8	S1087 M1088 L1530 E1531 I1532	Q406-S1087 PolarHBondContact NE2-O 3.18Å; Q406-M1088 WeakPolarHBondContact CG-O 3.16Å; Q406-L1530 HydrophobicContact CB-CB 4.16Å; Q406-L1530 HydrophobicContact CB-CD1 3.74Å; Q406-L1530 WeakPolarHBondContact O-CB 3.47Å; Q406-E1531 CarbonylContact O-C 3.5Å; Q406-E1531 VanDerWaalsContact O-C 3.22Å; Q406-E1531 WeakPolarHBondContact O-CA 3.37Å; Q406-E1531 WeakPolarHBondContact O-CB 3.4Å; Q406-E1531 PolarHBondContact O-N 3.41Å; Q406-I1532 VanDerWaalsContact CA-CD1 3.41Å; Q406-I1532 WeakPolarHBondContact O-CG1 3.13Å
407	Q	44.3	Very low	38.5	Very low	84 Å²	84	90.4 Å²	90.4	39%	0.393	49%	0.488	S	S	.	.	B	Isolated β-bridge		-177.2	104.7	-56.8	-174.2	167.9	78.7	0	0	112.6	L1089 L1530 E1531 I1532	Q407-L1089 PolarHBondContact NE2-O 2.87Å; Q407-L1530 PolarHBondContact O-N 3.07Å; Q407-E1531 CarbonylContact C-O 3.59Å; Q407-E1531 VanDerWaalsContact C-O 3.22Å; Q407-E1531 WeakPolarHBondContact CA-O 3.4Å; Q407-E1531 PolarHBondContact N-O 2.84Å; Q407-I1532 HydrophobicContact CB-CD1 4.48Å
408	T	33.4	Very low	38	Very low	89 Å²	89	93.6 Å²	93.6	55%	0.546	51%	0.507	S	S	.	.			trans	68.1	-171	161.8	67.9	0	0	0	0	117.4	K1529 L1530 E1531	T408-K1529 CarbonylContact C-O 3.58Å; T408-K1529 CarbonylContact O-C 3.54Å; T408-K1529 VanDerWaalsContact O-C 3.25Å; T408-L1530 PolarHBondContact O-N 2.97Å; T408-E1531 PolarHBondContact N-O 2.91Å
409	D	29.3	Very low	38.1	Very low	131 Å²	131	96.5 Å²	96.5	70%	0.701	52%	0.521	S	S	*	.			cis	-155.7	-176	-12.4	-153.7	-5.3	0	0	0	113.4
410	I	25.9	Very low	37.5	Very low	133 Å²	133	101.8 Å²	101.8	68%	0.682	56%	0.555	S	S	*	*			trans	82.1	86.4	150.3	-69.6	161.8	0	0	0	121.7
411	Q	26.5	Very low	37.7	Very low	150 Å²	150	103.7 Å²	103.7	70%	0.701	57%	0.569	S	S	*	*				50.6	143.2	112.2	-68.8	-172.6	15.9	0	0	126.2
412	N	28.1	Very low	37.3	Very low	135 Å²	135	111.6 Å²	111.6	72%	0.722	60%	0.603	S	S	*	*			trans	80.2	152.1	136.8	-76.8	-20.7	0	0	0	121.6
413	S	27.1	Very low	36.4	Very low	108 Å²	108	112.7 Å²	112.7	76%	0.755	61%	0.611	S	S	*	*			cis	-159.6	162.2	-3.4	37	0	0	0	0	115.1
414	I	38.8	Very low	35.4	Very low	134 Å²	134	116.7 Å²	116.7	69%	0.687	63%	0.627	S	S	*	*			trans	-87.5	170.9	166	-19.8	173.1	0	0	0	110.5	L416	I414-L416 HydrophobicContact CB-CD1 4.46Å; I414-L416 HydrophobicContact CD1-CD1 4.22Å; I414-L416 HydrophobicContact CG2-CD1 4.46Å; I414-L416 HydrophobicContact CG2-CG 4.18Å
415	P	35.2	Very low	34.3	Very low	120 Å²	120	119.5 Å²	119.5	78%	0.779	64%	0.64	S	S	*	*				-158.2	-158.1	89.6	39.3	-17	0	0	0	115.3
416	L	31.2	Very low	33.3	Very low	128 Å²	128	121.5 Å²	121.5	67%	0.67	66%	0.658	S	S	*	*				-172.4	-171.7	-83.4	-97.6	169.2	0	0	0	111	I414	I414-L416 HydrophobicContact CB-CD1 4.46Å; I414-L416 HydrophobicContact CD1-CD1 4.22Å; I414-L416 HydrophobicContact CG2-CD1 4.46Å; I414-L416 HydrophobicContact CG2-CG 4.18Å
417	L	30.3	Very low	32.4	Very low	137 Å²	137	123.2 Å²	123.2	72%	0.717	67%	0.669	S	S	*	*			trans	83.7	152.3	154.4	-44.5	-174.3	0	0	0	118.9
418	N	29.2	Very low	31.7	Very low	120 Å²	120	123.5 Å²	123.5	64%	0.642	67%	0.673	S	S	*	*			cis	-167.9	142.2	-18.4	-108.5	-2.8	0	0	0	116.3
419	L	34.6	Very low	31.3	Very low	148 Å²	148	126.9 Å²	126.9	78%	0.775	68%	0.681	S	S	*	*				46	-174.4	127.6	-92.8	92.3	0	0	0	123.1
420	P	35.4	Very low	31.4	Very low	112 Å²	112	128.4 Å²	128.4	73%	0.727	68%	0.681	S	S	*	*			cis	-127.2	-125.3	-4.2	26.9	1	0	0	0	117.3
421	P	43.2	Very low	31.6	Very low	103 Å²	103	128 Å²	128	67%	0.669	68%	0.68	S	S	*	*				-140.1	-170	-108.4	47.3	-28.7	0	0	0	121.2
422	K	33.8	Very low	31.8	Very low	188 Å²	188	125.8 Å²	125.8	82%	0.817	68%	0.681	S	S	*	*			trans	84.6	155.2	158.2	-74.4	-175.9	174.9	-175.4	0	120.4
423	L	31.8	Very low	31.9	Very low	136 Å²	136	126.4 Å²	126.4	71%	0.712	68%	0.684	S	S	*	*			cis	-170.5	173.9	-23.2	-118.3	178.5	0	0	0	114
424	E	31.4	Very low	31.9	Very low	157 Å²	157	128 Å²	128	73%	0.734	68%	0.684	S	S	*	*			trans	67.9	166.6	151.8	-76.4	-157.2	82.3	0	0	123.7
425	N	29.4	Very low	31.4	Very low	130 Å²	130	127.3 Å²	127.3	70%	0.695	69%	0.686	S	S	*	*			cis	-176.5	165.8	-31.4	-167.9	7.4	0	0	0	113.6
426	A	31.5	Very low	30.9	Very low	51 Å²	51	128.6 Å²	128.6	42%	0.421	69%	0.685	S	S	.	*			trans	62.3	156.6	157.6	0	0	0	0	0	123.1	L1561 D1562	A426-L1561 CarbonylContact O-C 3.54Å; A426-D1562 PolarHBondContact O-N 2.9Å
427	N	29.8	Very low	30.6	Very low	93 Å²	93	127.8 Å²	127.8	50%	0.497	69%	0.685	S	S	.	*			cis	-170.8	166.3	-33.6	-150.1	29.3	0	0	0	116.1	L1561	N427-L1561 WeakPolarHBondContact O-CB 3.44Å
428	D	29.6	Very low	30.4	Very low	91 Å²	91	127 Å²	127	49%	0.487	69%	0.686	S	S	.	*			trans	91.9	108.2	145.8	-74.4	-34.7	0	0	0	130.1	L1561	D428-L1561 WeakPolarHBondContact O-CD1 3.18Å
429	F	26.3	Very low	30.2	Very low	160 Å²	160	127.1 Å²	127.1	70%	0.702	69%	0.692	S	S	*	*			trans	69.8	143.4	151.8	-72	-108.1	0	0	0	119.7
430	K	30	Very low	29.8	Very low	162 Å²	162	126.5 Å²	126.5	70%	0.704	69%	0.689	S	S	*	*			cis	97.5	147	32.1	-85	177.6	155.1	-79.9	0	113.9
431	D	30.5	Very low	29.3	Very low	124 Å²	124	126.3 Å²	126.3	66%	0.663	69%	0.689	S	S	*	*			cis	-125.5	-106.3	-1.7	-152.7	-87.6	0	0	0	114
432	S	31.3	Very low	28.7	Very low	105 Å²	105	123.9 Å²	123.9	73%	0.734	68%	0.675	S	S	*	*			cis	-159.7	-176.7	-3.8	63.4	0	0	0	0	111.5
433	L	29.8	Very low	28.6	Very low	147 Å²	147	118 Å²	118	77%	0.77	65%	0.65	S	S	*	*			trans	-137.4	172.6	-170.1	-122.8	91.8	0	0	0	116.8
434	N	27.6	Very low	28.8	Very low	142 Å²	142	119.1 Å²	119.1	76%	0.759	65%	0.651	S	S	*	*			trans	71.3	149.8	176.2	-51.7	-32.3	0	0	0	114.3
435	T	27.1	Very low	29.2	Very low	119 Å²	119	120.3 Å²	120.3	73%	0.73	65%	0.654	S	S	*	*			cis	-158.6	139.7	39.4	-76.6	0	0	0	0	111.3
436	I	26.1	Very low	29.9	Very low	148 Å²	148	118.3 Å²	118.3	76%	0.759	64%	0.639	S	S	*	*			trans	20.8	140.5	135.9	-71.2	153.1	0	0	0	119
437	T	24.3	Very low	30.3	Very low	110 Å²	110	123.7 Å²	123.7	68%	0.675	65%	0.65	S	S	*	*			cis	-165.2	178.3	-2.9	29.6	0	0	0	0	110.4
438	T	25.2	Very low	31.1	Very low	121 Å²	121	123.9 Å²	123.9	74%	0.742	65%	0.647	S	S	*	*			trans	34.4	128.1	146.3	53.6	0	0	0	0	120.4
439	T	26	Very low	32	Very low	123 Å²	123	122.3 Å²	122.3	76%	0.755	64%	0.643	S	S	*	*			cis	-129.5	-147.8	17.2	54	0	0	0	0	110.9
440	D	26.4	Very low	32.9	Very low	135 Å²	135	121.4 Å²	121.4	72%	0.722	64%	0.636	S	S	*	*			cis	-153.2	-172.3	0.8	-138.4	-60.8	0	0	0	113.1
441	C	25	Very low	33.7	Very low	108 Å²	108	120.9 Å²	120.9	73%	0.73	63%	0.631	S	S	*	*			trans	-120.4	124.3	-162.6	-63.4	0	0	0	0	115.8
442	S	29.7	Very low	35.2	Very low	51 Å²	51	123.1 Å²	123.1	36%	0.357	63%	0.63	S	S	.	*			trans	-161.1	-47.9	162.5	65.8	0	0	0	0	117.7	H444 N1125 Y1126	S442-H444 PolarHBondContact O-N 2.95Å; S442-N1125 PolarHBondContact OG-ND2 2.71Å; S442-N1125 VanDerWaalsContact OG-ND2 3.17Å; S442-N1125 PolarHBondContact OG-OD1 2.99Å; S442-Y1126 WeakPolarHBondContact CB-OH 3.45Å
443	H	31	Very low	36.8	Very low	64 Å²	64	125.2 Å²	125.2	30%	0.296	63%	0.626	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.7	-8.2	-149.9	-120.8	-53.2	0	0	0	117.3	K445 K446 D1124 N1125	H443-K445 PolarHBondContact O-N 2.89Å; H443-K446 PolarHBondContact O-N 3.43Å; H443-K446 VanDerWaalsContact O-N 3.12Å; H443-D1124 IonicContact CD2-OD1 2.65Å; H443-N1125 PolarHBondContact CD2-OD1 3.44Å; H443-N1125 VanDerWaalsContact CD2-OD1 3.24Å; H443-N1125 PolarHBondContact NE2-N 3.01Å; H443-N1125 PolarHBondContact NE2-OD1 2.89Å
444	H	37.6	Very low	38.4	Very low	160 Å²	160	121.8 Å²	121.8	74%	0.741	61%	0.606	S	S	*	*	H	α-helix	trans	-66.2	-17.5	-167.1	-141.1	-52	0	0	0	114.6	S442	S442-H444 PolarHBondContact O-N 2.95Å
445	K	40	Very low	40.2	Very low	183 Å²	183	120 Å²	120	80%	0.796	60%	0.596	S	S	*	*	H	α-helix	trans	-83.3	-36.1	173	-75.3	177	-179.7	169.5	0	113.6	H443 H448 S449	H443-K445 PolarHBondContact O-N 2.89Å; K445-H448 PolarHBondContact O-N 2.73Å; K445-S449 VanDerWaalsContact O-CB 3.27Å; K445-S449 WeakPolarHBondContact O-CB 3.09Å; K445-S449 PolarHBondContact O-N 3.32Å
446	K	43.6	Very low	42.1	Very low	87 Å²	87	123.4 Å²	123.4	38%	0.378	60%	0.595	S	S	.	*	H	α-helix	trans	-67.5	-39.4	-180	-94.2	-173.2	179.5	-176.9	0	111.7	H443 S449 Y450 Y1126 D1127	H443-K446 PolarHBondContact O-N 3.43Å; H443-K446 VanDerWaalsContact O-N 3.12Å; K446-S449 PolarHBondContact O-N 2.86Å; K446-Y450 WeakPolarHBondContact O-CB 3.09Å; K446-Y450 PolarHBondContact O-N 3.01Å; K446-Y1126 PolarHBondContact NZ-O 2.85Å; K446-D1127 WeakPolarHBondContact CE-O 3.47Å; K446-D1127 PolarHBondContact NZ-O 3.29Å
447	Y	39	Very low	44.1	Very low	165 Å²	165	121.5 Å²	121.5	65%	0.647	58%	0.583	S	S	*	*	H	α-helix	trans	-60.9	-45.9	172.6	-108.3	-90.9	0	0	0	112.9	S449 Y450 Y451	Y447-S449 VanDerWaalsContact C-N 3.31Å; Y447-S449 PolarHBondContact O-N 3.13Å; Y447-Y450 PolarHBondContact O-N 3.39Å; Y447-Y451 PolarHBondContact O-N 2.88Å
448	H	46.4	Very low	46.1	Very low	96 Å²	96	121.3 Å²	121.3	44%	0.444	57%	0.574	S	S	.	*	H	α-helix	trans	-72.2	-26.3	-179.5	-142.1	-42.8	0	0	0	112.7	K445 R452	K445-H448 PolarHBondContact O-N 2.73Å; H448-R452 VanDerWaalsContact O-CB 3.29Å; H448-R452 WeakPolarHBondContact O-CB 3.07Å; H448-R452 PolarHBondContact O-N 3.03Å
449	S	48.5	Very low	48.2	Very low	58 Å²	58	124.2 Å²	124.2	41%	0.406	57%	0.572	S	S	.	*	H	α-helix	trans	-74	-41.3	170.5	-174	0	0	0	0	112.1	K445 K446 Y447 R452 K453	K445-S449 VanDerWaalsContact O-CB 3.27Å; K445-S449 WeakPolarHBondContact O-CB 3.09Å; K445-S449 PolarHBondContact O-N 3.32Å; K446-S449 PolarHBondContact O-N 2.86Å; Y447-S449 VanDerWaalsContact C-N 3.31Å; Y447-S449 PolarHBondContact O-N 3.13Å; S449-R452 CarbonylContact O-C 2.86Å; S449-R452 PolarHBondContact O-N 3.05Å; S449-K453 WeakPolarHBondContact O-CB 3.35Å; S449-K453 WeakPolarHBondContact O-CG 3.45Å; S449-K453 PolarHBondContact O-N 2.93Å
450	Y	45.9	Very low	50.5	Low	142 Å²	142	125.6 Å²	125.6	56%	0.557	57%	0.567	S	S	*	*	H	α-helix	trans	-62.9	-46.2	172.6	-171.1	-94.4	0	0	0	110.6	K446 Y447 R452 K453 Q454	K446-Y450 WeakPolarHBondContact O-CB 3.09Å; K446-Y450 PolarHBondContact O-N 3.01Å; Y447-Y450 PolarHBondContact O-N 3.39Å; Y450-R452 PolarHBondContact O-N 2.84Å; Y450-K453 PolarHBondContact O-N 2.84Å; Y450-Q454 HydrophobicContact CD1-CG 3.88Å; Y450-Q454 HydrophobicContact CE1-CG 3.65Å; Y450-Q454 WeakPolarHBondContact O-CB 3.25Å; Y450-Q454 VanDerWaalsContact O-CG 3.29Å; Y450-Q454 WeakPolarHBondContact O-CG 3.46Å; Y450-Q454 PolarHBondContact O-N 2.73Å; Y450-Q454 PolarHBondContact OH-NE2 3.28Å; Y450-Q454 VanDerWaalsContact OH-NE2 3.11Å
451	Y	47.3	Very low	52.7	Low	150 Å²	150	124.4 Å²	124.4	59%	0.588	56%	0.556	S	S	*	*	H	α-helix	trans	-63.1	-38.8	171.7	-101.9	-89.7	0	0	0	112.8	Y447 L455	Y447-Y451 PolarHBondContact O-N 2.88Å; Y451-L455 WeakPolarHBondContact O-CB 3.34Å; Y451-L455 WeakPolarHBondContact O-CD1 3.31Å; Y451-L455 WeakPolarHBondContact O-CG 3.17Å; Y451-L455 PolarHBondContact O-N 3.48Å
452	R	61.9	Low	54.7	Low	171 Å²	171	128 Å²	128	65%	0.645	55%	0.554	S	S	*	*	H	α-helix	trans	-67.4	-33.2	172.7	-90.3	-175	168.4	-175.7	-2.1	113.1	H448 S449 Y450 R456	H448-R452 VanDerWaalsContact O-CB 3.29Å; H448-R452 WeakPolarHBondContact O-CB 3.07Å; H448-R452 PolarHBondContact O-N 3.03Å; S449-R452 CarbonylContact O-C 2.86Å; S449-R452 PolarHBondContact O-N 3.05Å; Y450-R452 PolarHBondContact O-N 2.84Å; R452-R456 VanDerWaalsContact O-CB 3.24Å; R452-R456 WeakPolarHBondContact O-CB 3.14Å; R452-R456 WeakPolarHBondContact O-CG 3.26Å; R452-R456 PolarHBondContact O-N 3.28Å
453	K	63.6	Low	56.8	Low	150 Å²	150	131.5 Å²	131.5	65%	0.652	56%	0.564	S	S	*	*	H	α-helix	trans	-72.9	-44.2	174	-78.1	-175.3	176.8	-177	0	110.9	S449 Y450 R456 H457	S449-K453 WeakPolarHBondContact O-CB 3.35Å; S449-K453 WeakPolarHBondContact O-CG 3.45Å; S449-K453 PolarHBondContact O-N 2.93Å; Y450-K453 PolarHBondContact O-N 2.84Å; K453-R456 PolarHBondContact O-N 3.21Å; K453-H457 VanDerWaalsContact O-CB 3.23Å; K453-H457 WeakPolarHBondContact O-CB 3.19Å; K453-H457 PolarHBondContact O-N 3.23Å
454	Q	63.2	Low	58.5	Low	75 Å²	75	138 Å²	138	35%	0.35	59%	0.586	S	S	.	*	H	α-helix	trans	-56.1	-49.8	169.3	-74.8	-77	10.6	0	0	110.8	Y450 H457 H458	Y450-Q454 HydrophobicContact CD1-CG 3.88Å; Y450-Q454 HydrophobicContact CE1-CG 3.65Å; Y450-Q454 WeakPolarHBondContact O-CB 3.25Å; Y450-Q454 VanDerWaalsContact O-CG 3.29Å; Y450-Q454 WeakPolarHBondContact O-CG 3.46Å; Y450-Q454 PolarHBondContact O-N 2.73Å; Y450-Q454 PolarHBondContact OH-NE2 3.28Å; Y450-Q454 VanDerWaalsContact OH-NE2 3.11Å; Q454-H457 CarbonylContact O-C 2.76Å; Q454-H457 PolarHBondContact O-N 3.33Å; Q454-H458 WeakPolarHBondContact O-CB 3.37Å; Q454-H458 PolarHBondContact O-CD2 3.24Å; Q454-H458 PolarHBondContact O-N 3.33Å
455	L	65.5	Low	59.8	Low	104 Å²	104	139.4 Å²	139.4	55%	0.545	59%	0.585	S	S	.	*	H	α-helix	trans	-66.3	-39.4	177.7	-75.9	164.8	0	0	0	113.2	Y451 H457 H458 R459	Y451-L455 WeakPolarHBondContact O-CB 3.34Å; Y451-L455 WeakPolarHBondContact O-CD1 3.31Å; Y451-L455 WeakPolarHBondContact O-CG 3.17Å; Y451-L455 PolarHBondContact O-N 3.48Å; L455-H457 VanDerWaalsContact C-N 3.34Å; L455-H458 PolarHBondContact O-N 2.89Å; L455-R459 WeakPolarHBondContact O-CB 3.37Å; L455-R459 WeakPolarHBondContact O-CG 3.3Å; L455-R459 PolarHBondContact O-N 2.74Å
456	R	66.9	Low	61.3	Low	190 Å²	190	135.1 Å²	135.1	72%	0.717	57%	0.57	S	S	*	*	H	α-helix	trans	-67.5	-35.4	172.3	-80.4	-175.6	172.4	-160	-2.6	111.3	R452 K453 K460	R452-R456 VanDerWaalsContact O-CB 3.24Å; R452-R456 WeakPolarHBondContact O-CB 3.14Å; R452-R456 WeakPolarHBondContact O-CG 3.26Å; R452-R456 PolarHBondContact O-N 3.28Å; K453-R456 PolarHBondContact O-N 3.21Å; R456-K460 WeakPolarHBondContact O-CB 3.13Å; R456-K460 WeakPolarHBondContact O-CG 2.97Å; R456-K460 PolarHBondContact O-N 3.21Å
457	H	68	Low	62.3	Low	108 Å²	108	139.9 Å²	139.9	50%	0.5	59%	0.586	S	S	.	*	H	α-helix	trans	-74.6	-35.2	176.3	-158.7	0.8	0	0	0	111.8	K453 Q454 L455 K461	K453-H457 VanDerWaalsContact O-CB 3.23Å; K453-H457 WeakPolarHBondContact O-CB 3.19Å; K453-H457 PolarHBondContact O-N 3.23Å; Q454-H457 CarbonylContact O-C 2.76Å; Q454-H457 PolarHBondContact O-N 3.33Å; L455-H457 VanDerWaalsContact C-N 3.34Å; H457-K461 VanDerWaalsContact O-CB 3.25Å; H457-K461 WeakPolarHBondContact O-CB 3.42Å; H457-K461 VanDerWaalsContact O-CG 3.3Å; H457-K461 WeakPolarHBondContact O-CG 3.3Å; H457-K461 PolarHBondContact O-N 2.91Å
458	H	66.6	Low	63.4	Low	106 Å²	106	139 Å²	139	49%	0.491	58%	0.582	S	S	.	*	H	α-helix	trans	-68.7	-38.8	169.6	-95.7	-101.2	0	0	0	112.2	Q454 L455 K461 R462	Q454-H458 WeakPolarHBondContact O-CB 3.37Å; Q454-H458 PolarHBondContact O-CD2 3.24Å; Q454-H458 PolarHBondContact O-N 3.33Å; L455-H458 PolarHBondContact O-N 2.89Å; H458-K461 PolarHBondContact O-N 2.75Å; H458-R462 VanDerWaalsContact O-CB 3.3Å; H458-R462 WeakPolarHBondContact O-CB 3.38Å; H458-R462 WeakPolarHBondContact O-CG 3.32Å; H458-R462 PolarHBondContact O-N 2.74Å
459	R	69.8	Low	64	Low	182 Å²	182	141.7 Å²	141.7	69%	0.687	59%	0.588	S	S	*	*	H	α-helix	trans	-63.9	-48	170	-81	-171.6	173.5	-170.5	-2.2	110.7	L455 K461 R462 H463	L455-R459 WeakPolarHBondContact O-CB 3.37Å; L455-R459 WeakPolarHBondContact O-CG 3.3Å; L455-R459 PolarHBondContact O-N 2.74Å; R459-K461 PolarHBondContact O-N 3.05Å; R459-R462 CarbonylContact O-C 3.36Å; R459-R462 PolarHBondContact O-N 3.32Å; R459-H463 PolarHBondContact O-CD2 3.06Å; R459-H463 PolarHBondContact O-N 3.24Å
460	K	74.5	Confident	64.6	Low	153 Å²	153	144.7 Å²	144.7	67%	0.665	60%	0.595	S	S	*	*	H	α-helix	trans	-62.6	-36.5	174.4	-75.8	-169.6	174.3	-169.3	0	112.9	R456 R464	R456-K460 WeakPolarHBondContact O-CB 3.13Å; R456-K460 WeakPolarHBondContact O-CG 2.97Å; R456-K460 PolarHBondContact O-N 3.21Å; K460-R464 WeakPolarHBondContact O-CB 3.45Å; K460-R464 WeakPolarHBondContact O-CG 3.38Å; K460-R464 PolarHBondContact O-N 3.42Å
461	K	73.2	Confident	65.5	Low	110 Å²	110	144.1 Å²	144.1	48%	0.478	60%	0.598	S	S	.	*	H	α-helix	trans	-69.9	-36.7	172.2	-78.1	179.5	179.5	-180	0	111.9	H457 H458 R459 R465	H457-K461 VanDerWaalsContact O-CB 3.25Å; H457-K461 WeakPolarHBondContact O-CB 3.42Å; H457-K461 VanDerWaalsContact O-CG 3.3Å; H457-K461 WeakPolarHBondContact O-CG 3.3Å; H457-K461 PolarHBondContact O-N 2.91Å; H458-K461 PolarHBondContact O-N 2.75Å; R459-K461 PolarHBondContact O-N 3.05Å; K461-R465 VanDerWaalsContact O-CB 3.31Å; K461-R465 WeakPolarHBondContact O-CB 3.39Å; K461-R465 VanDerWaalsContact O-CG 3.28Å; K461-R465 WeakPolarHBondContact O-CG 3.27Å; K461-R465 PolarHBondContact O-N 2.9Å
462	R	67.3	Low	66	Low	183 Å²	183	142.5 Å²	142.5	69%	0.691	60%	0.595	S	S	*	*	H	α-helix	trans	-64.9	-49.6	171.8	-84.3	-172	173.4	-174.4	-0.9	110.9	H458 R459 R464 R465 L466	H458-R462 VanDerWaalsContact O-CB 3.3Å; H458-R462 WeakPolarHBondContact O-CB 3.38Å; H458-R462 WeakPolarHBondContact O-CG 3.32Å; H458-R462 PolarHBondContact O-N 2.74Å; R459-R462 CarbonylContact O-C 3.36Å; R459-R462 PolarHBondContact O-N 3.32Å; R462-R464 PolarHBondContact O-N 2.99Å; R462-R465 CarbonylContact O-C 3.48Å; R462-R465 WeakPolarHBondContact O-CA 3.14Å; R462-R465 PolarHBondContact O-N 3.46Å; R462-R465 VanDerWaalsContact O-N 3.1Å; R462-L466 WeakPolarHBondContact O-CB 3.22Å; R462-L466 PolarHBondContact O-N 2.83Å
463	H	74.3	Confident	65.8	Low	124 Å²	124	136.4 Å²	136.4	57%	0.574	58%	0.579	S	S	*	*	H	α-helix	trans	-62.4	-39.8	175.7	-73.4	-72.2	0	0	0	112.8	R459 R465 L466 R467	R459-H463 PolarHBondContact O-CD2 3.06Å; R459-H463 PolarHBondContact O-N 3.24Å; H463-R465 VanDerWaalsContact C-N 3.35Å; H463-L466 PolarHBondContact O-N 3.32Å; H463-R467 PolarHBondContact O-N 3.06Å
464	R	65.2	Low	65.7	Low	200 Å²	200	136.5 Å²	136.5	76%	0.755	58%	0.582	S	S	*	*	H	α-helix	trans	-65.4	-34.4	171.7	-79.5	-172.8	173.5	-176.3	-2.2	112.7	K460 R462 R468	K460-R464 WeakPolarHBondContact O-CB 3.45Å; K460-R464 WeakPolarHBondContact O-CG 3.38Å; K460-R464 PolarHBondContact O-N 3.42Å; R462-R464 PolarHBondContact O-N 2.99Å; R464-R468 VanDerWaalsContact O-CB 3.3Å; R464-R468 WeakPolarHBondContact O-CB 3.5Å; R464-R468 WeakPolarHBondContact O-CG 3.33Å; R464-R468 PolarHBondContact O-N 3.08Å
465	R	65.7	Low	65.5	Low	191 Å²	191	136.7 Å²	136.7	72%	0.721	59%	0.592	S	S	*	*	H	α-helix	trans	-72.9	-32.3	172.7	-77.9	177.6	175.1	-172.3	-2.4	112.9	K461 R462 H463 R469	K461-R465 VanDerWaalsContact O-CB 3.31Å; K461-R465 WeakPolarHBondContact O-CB 3.39Å; K461-R465 VanDerWaalsContact O-CG 3.28Å; K461-R465 WeakPolarHBondContact O-CG 3.27Å; K461-R465 PolarHBondContact O-N 2.9Å; R462-R465 CarbonylContact O-C 3.48Å; R462-R465 WeakPolarHBondContact O-CA 3.14Å; R462-R465 PolarHBondContact O-N 3.46Å; R462-R465 VanDerWaalsContact O-N 3.1Å; H463-R465 VanDerWaalsContact C-N 3.35Å; R465-R469 WeakPolarHBondContact O-CB 3.18Å; R465-R469 WeakPolarHBondContact O-CG 3.34Å; R465-R469 PolarHBondContact O-N 3.25Å
466	L	70.2	Confident	65.3	Low	93 Å²	93	135.2 Å²	135.2	49%	0.487	58%	0.581	S	S	.	*	H	α-helix	trans	-70.6	-50.2	175.1	-83.8	156.8	0	0	0	110.9	R462 H463 R468 R469 Q470	R462-L466 WeakPolarHBondContact O-CB 3.22Å; R462-L466 PolarHBondContact O-N 2.83Å; H463-L466 PolarHBondContact O-N 3.32Å; L466-R468 VanDerWaalsContact C-N 3.34Å; L466-R468 PolarHBondContact O-N 3.39Å; L466-R469 CarbonylContact O-C 3.46Å; L466-R469 WeakPolarHBondContact O-CA 3.28Å; L466-R469 WeakPolarHBondContact O-CB 3.22Å; L466-R469 PolarHBondContact O-N 3.23Å; L466-Q470 PolarHBondContact O-N 3.46Å
467	R	66.4	Low	65.6	Low	187 Å²	187	131.1 Å²	131.1	71%	0.706	57%	0.57	S	S	*	*	H	α-helix	trans	-59.3	-42.2	172.1	-81.9	-166.7	172.9	-168.2	-2.4	112.2	H463 R469 Q470 Q471	H463-R467 PolarHBondContact O-N 3.06Å; R467-R469 VanDerWaalsContact C-N 3.26Å; R467-R469 PolarHBondContact O-N 3.21Å; R467-Q470 PolarHBondContact O-N 2.77Å; R467-Q471 WeakPolarHBondContact O-CB 3.48Å; R467-Q471 VanDerWaalsContact O-CG 3.32Å; R467-Q471 WeakPolarHBondContact O-CG 3.26Å; R467-Q471 PolarHBondContact O-N 3.11Å
468	R	61.9	Low	65.9	Low	147 Å²	147	130.1 Å²	130.1	56%	0.555	57%	0.571	S	S	*	*	H	α-helix	trans	-66.3	-21.7	172.3	-79.5	-172.2	173.1	-168.2	-4.2	114.2	R464 L466 Q472 S1768	R464-R468 VanDerWaalsContact O-CB 3.3Å; R464-R468 WeakPolarHBondContact O-CB 3.5Å; R464-R468 WeakPolarHBondContact O-CG 3.33Å; R464-R468 PolarHBondContact O-N 3.08Å; L466-R468 VanDerWaalsContact C-N 3.34Å; L466-R468 PolarHBondContact O-N 3.39Å; R468-Q472 VanDerWaalsContact O-CB 3.29Å; R468-Q472 WeakPolarHBondContact O-CB 2.95Å; R468-Q472 WeakPolarHBondContact O-CG 2.89Å; R468-Q472 PolarHBondContact O-N 3.35Å; R468-S1768 PolarHBondContact NH2-OG 3.33Å
469	R	58.6	Low	66.3	Low	152 Å²	152	130.3 Å²	130.3	57%	0.574	58%	0.575	S	S	*	*	H	α-helix	trans	-78.8	-44.6	171.4	-88.7	-176.7	167.5	-167.8	-6.5	111.4	R465 L466 R467 Q471 Q472 S473	R465-R469 WeakPolarHBondContact O-CB 3.18Å; R465-R469 WeakPolarHBondContact O-CG 3.34Å; R465-R469 PolarHBondContact O-N 3.25Å; L466-R469 CarbonylContact O-C 3.46Å; L466-R469 WeakPolarHBondContact O-CA 3.28Å; L466-R469 WeakPolarHBondContact O-CB 3.22Å; L466-R469 PolarHBondContact O-N 3.23Å; R467-R469 VanDerWaalsContact C-N 3.26Å; R467-R469 PolarHBondContact O-N 3.21Å; R469-Q471 VanDerWaalsContact C-N 3.34Å; R469-Q471 PolarHBondContact O-N 2.85Å; R469-Q472 CarbonylContact O-C 3.58Å; R469-Q472 WeakPolarHBondContact O-CA 3.14Å; R469-Q472 WeakPolarHBondContact O-CB 2.82Å; R469-Q472 PolarHBondContact O-N 2.93Å; R469-S473 PolarHBondContact O-N 3.34Å; R469-S473 PolarHBondContact O-OG 3.41Å
470	Q	61.6	Low	66.6	Low	120 Å²	120	122.8 Å²	122.8	56%	0.561	55%	0.55	S	S	*	.	H	α-helix	trans	-62.4	-40.7	174.6	-70.4	174.1	-57.2	0	0	112	L466 R467 Q472 S473 Q474	L466-Q470 PolarHBondContact O-N 3.46Å; R467-Q470 PolarHBondContact O-N 2.77Å; Q470-Q472 PolarHBondContact O-N 3.36Å; Q470-S473 WeakPolarHBondContact CA-OG 3.2Å; Q470-S473 PolarHBondContact O-N 2.7Å; Q470-S473 PolarHBondContact O-OG 3.45Å; Q470-Q474 WeakPolarHBondContact O-CG 3.47Å; Q470-Q474 PolarHBondContact O-N 2.94Å
471	Q	63.2	Low	66.9	Low	130 Å²	130	119.4 Å²	119.4	61%	0.607	53%	0.533	S	S	*	.	H	α-helix	trans	-69.9	-12.9	171.1	-69.6	179.4	-48.7	0	0	113.5	R467 R469 S475	R467-Q471 WeakPolarHBondContact O-CB 3.48Å; R467-Q471 VanDerWaalsContact O-CG 3.32Å; R467-Q471 WeakPolarHBondContact O-CG 3.26Å; R467-Q471 PolarHBondContact O-N 3.11Å; R469-Q471 VanDerWaalsContact C-N 3.34Å; R469-Q471 PolarHBondContact O-N 2.85Å; Q471-S475 WeakPolarHBondContact O-CB 2.85Å
472	Q	57.9	Low	67.1	Low	116 Å²	116	115.5 Å²	115.5	54%	0.542	52%	0.519	S	S	.	.	H	α-helix	trans	-96.5	-29.1	174.5	-85.4	-173.2	-42.2	0	0	113.4	R468 R469 Q470 S475 K476	R468-Q472 VanDerWaalsContact O-CB 3.29Å; R468-Q472 WeakPolarHBondContact O-CB 2.95Å; R468-Q472 WeakPolarHBondContact O-CG 2.89Å; R468-Q472 PolarHBondContact O-N 3.35Å; R469-Q472 CarbonylContact O-C 3.58Å; R469-Q472 WeakPolarHBondContact O-CA 3.14Å; R469-Q472 WeakPolarHBondContact O-CB 2.82Å; R469-Q472 PolarHBondContact O-N 2.93Å; Q470-Q472 PolarHBondContact O-N 3.36Å; Q472-S475 WeakPolarHBondContact CA-OG 3.32Å; Q472-S475 CarbonylContact O-C 3.48Å; Q472-S475 PolarHBondContact O-N 3.21Å; Q472-S475 PolarHBondContact O-OG 2.9Å; Q472-K476 WeakPolarHBondContact O-CB 3.48Å; Q472-K476 VanDerWaalsContact O-CD 3.27Å; Q472-K476 WeakPolarHBondContact O-CD 3.47Å; Q472-K476 VanDerWaalsContact O-CG 3.22Å; Q472-K476 WeakPolarHBondContact O-CG 3.1Å; Q472-K476 PolarHBondContact O-N 3.15Å
473	S	59	Low	67.1	Low	44 Å²	44	111.4 Å²	111.4	31%	0.308	52%	0.516	S	S	.	.	H	α-helix	trans	-65.4	-48.3	167.7	46.7	0	0	0	0	110	R469 Q470 S475 K476 E477	R469-S473 PolarHBondContact O-N 3.34Å; R469-S473 PolarHBondContact O-OG 3.41Å; Q470-S473 WeakPolarHBondContact CA-OG 3.2Å; Q470-S473 PolarHBondContact O-N 2.7Å; Q470-S473 PolarHBondContact O-OG 3.45Å; S473-S475 PolarHBondContact O-N 3.24Å; S473-K476 WeakPolarHBondContact O-CB 3.17Å; S473-K476 PolarHBondContact O-N 3.1Å; S473-E477 WeakPolarHBondContact CA-OE1 3.36Å; S473-E477 WeakPolarHBondContact CB-OE1 3.29Å; S473-E477 PolarHBondContact O-N 2.88Å
474	Q	60.6	Low	66.8	Low	151 Å²	151	107.7 Å²	107.7	71%	0.706	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-8.1	171.7	-67.8	179.7	-34.3	0	0	114.7	Q470	Q470-Q474 WeakPolarHBondContact O-CG 3.47Å; Q470-Q474 PolarHBondContact O-N 2.94Å
475	S	60.1	Low	66.9	Low	80 Å²	80	98.3 Å²	98.3	56%	0.559	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.5	18.2	172.1	87.7	0	0	0	0	112.7	Q471 Q472 S473	Q471-S475 WeakPolarHBondContact O-CB 2.85Å; Q472-S475 WeakPolarHBondContact CA-OG 3.32Å; Q472-S475 CarbonylContact O-C 3.48Å; Q472-S475 PolarHBondContact O-N 3.21Å; Q472-S475 PolarHBondContact O-OG 2.9Å; S473-S475 PolarHBondContact O-N 3.24Å
476	K	60.1	Low	66.7	Low	73 Å²	73	89.5 Å²	89.5	32%	0.317	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.3	-57.1	-177.6	-81.6	169.5	158.6	-83.8	0	110.2	Q472 S473 I2000 S2001	Q472-K476 WeakPolarHBondContact O-CB 3.48Å; Q472-K476 VanDerWaalsContact O-CD 3.27Å; Q472-K476 WeakPolarHBondContact O-CD 3.47Å; Q472-K476 VanDerWaalsContact O-CG 3.22Å; Q472-K476 WeakPolarHBondContact O-CG 3.1Å; Q472-K476 PolarHBondContact O-N 3.15Å; S473-K476 WeakPolarHBondContact O-CB 3.17Å; S473-K476 PolarHBondContact O-N 3.1Å; K476-I2000 CarbonylContact C-O 3.15Å; K476-I2000 WeakPolarHBondContact O-CA 3.36Å; K476-I2000 WeakPolarHBondContact O-CB 3.37Å; K476-I2000 PolarHBondContact O-N 2.72Å; K476-S2001 PolarHBondContact NZ-OG 3.25Å
477	E	74.5	Confident	66.1	Low	103 Å²	103	86.5 Å²	86.5	48%	0.481	43%	0.431	S	S	.	.			trans	-109.3	139.2	177.5	55.2	-94.8	155.4	0	0	112.6	S473 S1999	S473-E477 WeakPolarHBondContact CA-OE1 3.36Å; S473-E477 WeakPolarHBondContact CB-OE1 3.29Å; S473-E477 PolarHBondContact O-N 2.88Å; E477-S1999 WeakPolarHBondContact CA-OG 2.9Å
478	V	72.5	Confident	65.8	Low	88 Å²	88	81.7 Å²	81.7	53%	0.533	43%	0.426	S	S	.	.			trans	-130.4	110.2	167.1	176.2	0	0	0	0	104.2	S1999	V478-S1999 PolarHBondContact N-OG 3.3Å; V478-S1999 PolarHBondContact O-OG 3.46Å
479	L	75.9	Confident	65.5	Low	109 Å²	109	76.8 Å²	76.8	57%	0.571	42%	0.416	S	S	*	.			trans	-65.8	139.4	177.6	-148.3	74.6	0	0	0	109.1	W481 S482 H586	L479-W481 VanDerWaalsContact CG-O 3.3Å; L479-W481 WeakPolarHBondContact CG-O 3.39Å; L479-S482 VanDerWaalsContact CD2-OG 3.26Å; L479-S482 WeakPolarHBondContact CD2-OG 3.34Å; L479-H586 PolarHBondContact O-NE2 2.82Å
480	V	77.2	Confident	65.2	Low	25 Å²	25	72.9 Å²	72.9	15%	0.152	41%	0.407	C	S	.	.	S	Bend	trans	-122.6	-20.2	178	178.4	0	0	0	0	111.2	D583 H586 V1997 N1998	V480-D583 WeakPolarHBondContact CG1-OD1 3.16Å; V480-H586 VanDerWaalsContact O-CB 3.23Å; V480-H586 WeakPolarHBondContact O-CB 3.17Å; V480-H586 VanDerWaalsContact O-CG 3.26Å; V480-V1997 WeakPolarHBondContact CG2-O 3.4Å; V480-N1998 HydrophobicContact CG2-CB 4.27Å
481	W	80.3	Confident	64.8	Low	82 Å²	82	70.1 Å²	70.1	31%	0.311	40%	0.401	S	S	.	.			trans	-148.5	153.3	171.6	-173.1	-106.6	0	0	0	110	L479 L486 L539 Y582 L585 Y590	L479-W481 VanDerWaalsContact CG-O 3.3Å; L479-W481 WeakPolarHBondContact CG-O 3.39Å; W481-L486 HydrophobicContact CH2-CD1 4.11Å; W481-L486 HydrophobicContact CZ2-CD1 3.95Å; W481-L539 HydrophobicContact CH2-CD1 3.91Å; W481-L539 HydrophobicContact CH2-CD2 4.35Å; W481-L539 HydrophobicContact CZ2-CD2 4.29Å; W481-Y582 HydrophobicContact CE3-CD1 4.19Å; W481-Y582 HydrophobicContact CE3-CG 4.27Å; W481-Y582 AromaticContact CH2-CD1 3.74Å; W481-Y582 HydrophobicContact CH2-CD1 3.74Å; W481-Y582 HydrophobicContact CH2-CE1 4.22Å; W481-Y582 HydrophobicContact CZ2-CD1 4.48Å; W481-Y582 AromaticContact CZ3-CD1 3.58Å; W481-Y582 HydrophobicContact CZ3-CD1 3.58Å; W481-Y582 HydrophobicContact CZ3-CE1 4.47Å; W481-Y582 HydrophobicContact CZ3-CG 4.07Å; W481-L585 HydrophobicContact CH2-CD2 3.88Å; W481-L585 HydrophobicContact CZ3-CB 4.45Å; W481-L585 HydrophobicContact CZ3-CD2 3.93Å; W481-Y590 HydrophobicContact CD2-CE1 4.47Å; W481-Y590 HydrophobicContact CE3-CE1 4.01Å; W481-Y590 HydrophobicContact CH2-CE1 4.2Å; W481-Y590 AromaticContact CZ3-CE1 3.87Å; W481-Y590 HydrophobicContact CZ3-CE1 3.87Å
482	S	77.4	Confident	63.9	Low	28 Å²	28	67 Å²	67	20%	0.196	40%	0.403	C	S	.	.			trans	-135.5	119.2	178.6	-29.6	0	0	0	0	108	L479 G485 H586 Y590	L479-S482 VanDerWaalsContact CD2-OG 3.26Å; L479-S482 WeakPolarHBondContact CD2-OG 3.34Å; S482-G485 WeakPolarHBondContact O-CA 3.05Å; S482-G485 PolarHBondContact O-N 3.36Å; S482-H586 PolarHBondContact OG-CE1 2.84Å; S482-Y590 WeakPolarHBondContact CA-OH 3.2Å; S482-Y590 WeakPolarHBondContact CB-OH 3.29Å; S482-Y590 PolarHBondContact N-OH 3.46Å; S482-Y590 PolarHBondContact OG-OH 3.45Å
483	P	67.9	Low	63.1	Low	97 Å²	97	66 Å²	66	63%	0.63	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-54	-58.4	179.8	-29.3	36.5	0	0	0	113.2	G485	P483-G485 PolarHBondContact O-N 3.01Å
484	G	67.6	Low	61.7	Low	45 Å²	45	69.9 Å²	69.9	46%	0.464	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-70.3	13.2	174.7	0	0	0	0	0	115.7	S488	G484-S488 PolarHBondContact O-N 3.12Å; G484-S488 PolarHBondContact O-OG 2.9Å
485	G	66.4	Low	60.4	Low	3 Å²	3	70 Å²	70	3%	0.031	43%	0.433	C	S	.	.	G	3₁₀ helix	trans	-70.4	-38.8	177.9	0	0	0	0	0	113	S482 P483 S488 A489 Y590	S482-G485 WeakPolarHBondContact O-CA 3.05Å; S482-G485 PolarHBondContact O-N 3.36Å; P483-G485 PolarHBondContact O-N 3.01Å; G485-S488 PolarHBondContact O-OG 3.25Å; G485-A489 PolarHBondContact O-N 2.97Å; G485-Y590 VanDerWaalsContact C-CG 3.43Å; G485-Y590 VanDerWaalsContact CA-CD2 3.45Å; G485-Y590 VanDerWaalsContact CA-CE2 3.42Å; G485-Y590 WeakPolarHBondContact O-CB 3.4Å; G485-Y590 WeakPolarHBondContact O-CD2 3.48Å; G485-Y590 VanDerWaalsContact O-CG 3.27Å
486	L	60.9	Low	59.2	Low	7 Å²	7	75 Å²	75	4%	0.037	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-47.9	176.7	-78.7	162.1	0	0	0	111.6	W481 S488 A489 L490 L534 L539 L585 Y590	W481-L486 HydrophobicContact CH2-CD1 4.11Å; W481-L486 HydrophobicContact CZ2-CD1 3.95Å; L486-S488 PolarHBondContact O-N 3.46Å; L486-S488 VanDerWaalsContact O-N 3.17Å; L486-A489 PolarHBondContact O-N 2.85Å; L486-L490 HydrophobicContact CB-CD1 4.27Å; L486-L490 WeakPolarHBondContact O-CB 3.36Å; L486-L490 WeakPolarHBondContact O-CG 3.21Å; L486-L490 PolarHBondContact O-N 3.06Å; L486-L534 HydrophobicContact CB-CD2 4.13Å; L486-L539 HydrophobicContact CD1-CB 4.12Å; L486-L539 HydrophobicContact CD1-CD1 4.17Å; L486-L539 HydrophobicContact CD1-CD2 3.84Å; L486-L539 HydrophobicContact CD1-CG 4.26Å; L486-L585 HydrophobicContact CD2-CD2 4.13Å; L486-Y590 HydrophobicContact CD2-CD1 4.48Å; L486-Y590 HydrophobicContact CG-CD1 4.25Å
487	S	59.1	Low	57.8	Low	29 Å²	29	79.5 Å²	79.5	20%	0.203	46%	0.464	C	S	.	.	H	α-helix	trans	-55.3	-36.8	178	-33.2	0	0	0	0	112.1	S491 L534	S487-S491 VanDerWaalsContact O-CB 3.26Å; S487-S491 WeakPolarHBondContact O-CB 3.23Å; S487-S491 PolarHBondContact O-N 3.47Å; S487-S491 PolarHBondContact O-OG 3.22Å; S487-L534 WeakPolarHBondContact OG-CD2 3.44Å
488	S	58.5	Low	55.5	Low	87 Å²	87	80.8 Å²	80.8	61%	0.608	47%	0.474	S	S	*	.	H	α-helix	trans	-82.2	-5.9	177.7	53.5	0	0	0	0	115.5	G484 G485 L486	G484-S488 PolarHBondContact O-N 3.12Å; G484-S488 PolarHBondContact O-OG 2.9Å; G485-S488 PolarHBondContact O-OG 3.25Å; L486-S488 PolarHBondContact O-N 3.46Å; L486-S488 VanDerWaalsContact O-N 3.17Å
489	A	55.6	Low	53.5	Low	43 Å²	43	83 Å²	83	36%	0.355	49%	0.488	S	S	.	.	H	α-helix	trans	-99.5	-28.7	166.2	0	0	0	0	0	112.7	G485 L486 Y590	G485-A489 PolarHBondContact O-N 2.97Å; L486-A489 PolarHBondContact O-N 2.85Å; A489-Y590 WeakPolarHBondContact CB-O 3.31Å
490	L	52.7	Low	51.2	Low	71 Å²	71	82.1 Å²	82.1	37%	0.372	49%	0.491	S	S	.	.	H	α-helix	trans	-85.7	-26.7	-179.2	-67	166.2	0	0	0	113.1	L486 G492 P538	L486-L490 HydrophobicContact CB-CD1 4.27Å; L486-L490 WeakPolarHBondContact O-CB 3.36Å; L486-L490 WeakPolarHBondContact O-CG 3.21Å; L486-L490 PolarHBondContact O-N 3.06Å; L490-G492 PolarHBondContact O-N 3.39Å; L490-P538 HydrophobicContact CD1-CG 3.87Å; L490-P538 HydrophobicContact CD2-CB 4.21Å; L490-P538 HydrophobicContact CD2-CG 3.93Å
491	S	54.4	Low	48.7	Very low	62 Å²	62	88.3 Å²	88.3	43%	0.434	52%	0.523	S	S	.	.	S	Bend	trans	-65.5	-2.9	179.7	70	0	0	0	0	115.2	S487 T493	S487-S491 VanDerWaalsContact O-CB 3.26Å; S487-S491 WeakPolarHBondContact O-CB 3.23Å; S487-S491 PolarHBondContact O-N 3.47Å; S487-S491 PolarHBondContact O-OG 3.22Å; S491-T493 PolarHBondContact O-N 2.82Å; S491-T493 PolarHBondContact OG-OG1 2.75Å
492	G	43.6	Very low	46.4	Very low	64 Å²	64	91.3 Å²	91.3	66%	0.66	55%	0.551	S	S	*	*			trans	68.6	-15.8	174.7	0	0	0	0	0	116.2	L490 S494	L490-G492 PolarHBondContact O-N 3.39Å; G492-S494 PolarHBondContact O-N 2.99Å
493	T	40.2	Very low	43.9	Very low	96 Å²	96	96.5 Å²	96.5	59%	0.589	58%	0.582	S	S	*	*			trans	-71.7	68.7	-179	52.7	0	0	0	0	112.2	S491 E495	S491-T493 PolarHBondContact O-N 2.82Å; S491-T493 PolarHBondContact OG-OG1 2.75Å; T493-E495 PolarHBondContact O-N 3.49Å
494	S	29.5	Very low	41.8	Very low	124 Å²	124	96.2 Å²	96.2	87%	0.867	59%	0.587	S	S	*	*			trans	-75.2	33.2	177.2	-174	0	0	0	0	113.7	G492	G492-S494 PolarHBondContact O-N 2.99Å
495	E	35.3	Very low	40	Very low	154 Å²	154	104.8 Å²	104.8	72%	0.72	61%	0.607	S	S	*	*	S	Bend	trans	-116.2	130.5	159.9	-69.1	-157.4	133.2	0	0	109.1	T493 F497	T493-E495 PolarHBondContact O-N 3.49Å; E495-F497 PolarHBondContact O-N 3.4Å
496	K	34.3	Very low	38.1	Very low	186 Å²	186	110.7 Å²	110.7	81%	0.809	64%	0.638	S	S	*	*			trans	-64	110.7	157.5	-75.5	178.3	179	171.9	0	106.3	D498	K496-D498 PolarHBondContact O-N 3.39Å
497	F	29.8	Very low	36.5	Very low	167 Å²	167	117.8 Å²	117.8	73%	0.732	67%	0.67	S	S	*	*			trans	-64.3	83.6	166.3	-101.8	-92.2	0	0	0	108.9	E495 V499	E495-F497 PolarHBondContact O-N 3.4Å; F497-V499 HydrophobicContact CB-CG2 4.11Å; F497-V499 HydrophobicContact CD1-CG2 4.29Å; F497-V499 PolarHBondContact O-N 3.08Å
498	D	26.7	Very low	35.1	Very low	129 Å²	129	122.3 Å²	122.3	69%	0.69	69%	0.692	S	S	*	*			trans	-68.9	79.3	165.5	-85.1	-27.2	0	0	0	107.1	K496 S500	K496-D498 PolarHBondContact O-N 3.39Å; D498-S500 PolarHBondContact O-N 2.96Å
499	V	31.4	Very low	33.7	Very low	134 Å²	134	124.5 Å²	124.5	81%	0.812	70%	0.697	S	S	*	*			trans	-68.2	69.3	178.7	-172.4	0	0	0	0	110.1	F497	F497-V499 HydrophobicContact CB-CG2 4.11Å; F497-V499 HydrophobicContact CD1-CG2 4.29Å; F497-V499 PolarHBondContact O-N 3.08Å
500	S	25.9	Very low	32.6	Very low	91 Å²	91	130.2 Å²	130.2	64%	0.636	72%	0.72	S	S	*	*	S	Bend	trans	-156.9	27.8	-177.8	59.5	0	0	0	0	112.2	D498	D498-S500 PolarHBondContact O-N 2.96Å
501	N	26.3	Very low	31.5	Very low	155 Å²	155	134.2 Å²	134.2	83%	0.829	74%	0.737	S	S	*	*	S	Bend	trans	-157.6	47.5	172.7	-109.1	-9.7	0	0	0	115.8
502	T	30.3	Very low	30.2	Very low	146 Å²	146	137 Å²	137	90%	0.896	75%	0.746	S	S	*	*			trans	-137.2	61	168.9	-34.4	0	0	0	0	112.8
503	T	25.9	Very low	29.6	Very low	137 Å²	137	140.9 Å²	140.9	84%	0.84	75%	0.752	S	S	*	*			trans	-97.4	124.3	167.1	49.3	0	0	0	0	111.3
504	A	24.4	Very low	29.1	Very low	90 Å²	90	143 Å²	143	74%	0.744	76%	0.759	S	S	*	*			trans	64.6	102.5	164.7	0	0	0	0	0	117.9
505	Y	28.3	Very low	29.5	Very low	226 Å²	226	143.4 Å²	143.4	89%	0.886	75%	0.75	S	S	*	*				-128.1	148.8	119.7	-109.6	-82.1	0	0	0	110.6
506	N	27.2	Very low	29.3	Very low	126 Å²	126	143.1 Å²	143.1	67%	0.674	75%	0.754	S	S	*	*			trans	-49.4	143.3	-161.1	-67.2	-37.1	0	0	0	118.4
507	H	27.3	Very low	29.1	Very low	156 Å²	156	141.3 Å²	141.3	72%	0.722	75%	0.753	S	S	*	*				13.7	130.8	115.3	-66.1	-94.3	0	0	0	116.1
508	N	29.6	Very low	29.3	Very low	124 Å²	124	137.8 Å²	137.8	66%	0.663	74%	0.742	S	S	*	*				-167	135.2	66.9	-89.5	-69.5	0	0	0	114.2
509	N	29.4	Very low	29.5	Very low	133 Å²	133	140.3 Å²	140.3	71%	0.711	75%	0.747	S	S	*	*			trans	64.4	170.3	138.5	-54.2	-18	0	0	0	120.3
510	I	31.8	Very low	29.6	Very low	164 Å²	164	138.7 Å²	138.7	84%	0.841	74%	0.738	S	S	*	*			trans	72.7	114.7	167.6	-46.1	-179.7	0	0	0	113.8
511	H	29.6	Very low	29.9	Very low	154 Å²	154	138.2 Å²	138.2	71%	0.713	73%	0.728	S	S	*	*			cis	-150.8	170.1	-14.1	-171.3	-96.1	0	0	0	109.6
512	L	28.5	Very low	30.5	Very low	121 Å²	121	135 Å²	135	63%	0.634	71%	0.714	S	S	*	*			trans	-69.3	161.3	173.1	-62.4	62.3	0	0	0	112.1
513	N	30.4	Very low	30.7	Very low	145 Å²	145	130.9 Å²	130.9	78%	0.775	69%	0.691	S	S	*	*	S	Bend	trans	101.5	-0.3	152.4	-61.2	-5.4	0	0	0	120.9
514	D	29.5	Very low	31	Very low	141 Å²	141	126.6 Å²	126.6	75%	0.754	66%	0.663	S	S	*	*	S	Bend	trans	-125	149.5	174.4	-67.9	-69	0	0	0	112.6
515	I	38.7	Very low	31.6	Very low	132 Å²	132	127.4 Å²	127.4	68%	0.677	66%	0.655	S	S	*	*			trans	63.7	57.1	178.2	-31.3	177.6	0	0	0	115.4	N518	I515-N518 HydrophobicContact CG2-CB 4.06Å
516	N	29.2	Very low	32.1	Very low	148 Å²	148	120.2 Å²	120.2	79%	0.791	63%	0.631	S	S	*	*			trans	-64.7	167.7	132.6	-80	-14.9	0	0	0	108.9
517	D	30.4	Very low	32.5	Very low	148 Å²	148	116.9 Å²	116.9	79%	0.791	62%	0.618	S	S	*	*	S	Bend	trans	80	26.3	176.1	-45.5	-23.4	0	0	0	118.3
518	N	33.7	Very low	32.9	Very low	94 Å²	94	114 Å²	114	50%	0.503	61%	0.611	S	S	.	*	S	Bend	trans	-141.7	-11.9	172.6	-97.6	-78.5	0	0	0	118.5	I515	I515-N518 HydrophobicContact CG2-CB 4.06Å
519	F	32.5	Very low	33.2	Very low	181 Å²	181	111.6 Å²	111.6	79%	0.794	60%	0.598	S	S	*	*	S	Bend	trans	-89.8	-6.4	-172.6	-103.1	-81.5	0	0	0	116.6
520	T	33.3	Very low	33.4	Very low	100 Å²	100	111.2 Å²	111.2	61%	0.613	59%	0.59	S	S	*	*	S	Bend	trans	-74.5	-35.8	167.1	37.8	0	0	0	0	111.9	V522 S523 N524	T520-V522 VanDerWaalsContact C-N 3.3Å; T520-V522 PolarHBondContact O-N 2.98Å; T520-S523 PolarHBondContact O-N 3.01Å; T520-N524 PolarHBondContact O-N 3.1Å
521	N	31.6	Very low	33.7	Very low	81 Å²	81	109.8 Å²	109.8	43%	0.433	59%	0.585	S	S	.	*	H	α-helix	trans	-69.4	-20.1	-175.6	-71.2	-15.7	0	0	0	114.7	N525	N521-N525 PolarHBondContact O-N 2.95Å; N521-N525 PolarHBondContact O-ND2 2.91Å
522	V	39.1	Very low	34.1	Very low	89 Å²	89	105.9 Å²	105.9	54%	0.539	58%	0.575	S	S	.	*	H	α-helix	trans	-76.1	-28.9	178.3	-177.2	0	0	0	0	112.2	T520 I526	T520-V522 VanDerWaalsContact C-N 3.3Å; T520-V522 PolarHBondContact O-N 2.98Å; V522-I526 WeakPolarHBondContact O-CD1 3.31Å
523	S	34.2	Very low	34.6	Very low	59 Å²	59	105.8 Å²	105.8	41%	0.413	57%	0.572	S	S	.	*	H	α-helix	trans	-77.9	-33.8	173.1	-63.9	0	0	0	0	111.6	N359 N360 T520	N359-S523 PolarHBondContact ND2-O 3.4Å; N359-S523 PolarHBondContact OD1-O 3.37Å; N360-S523 PolarHBondContact ND2-O 2.94Å; T520-S523 PolarHBondContact O-N 3.01Å
524	N	33.1	Very low	35.4	Very low	46 Å²	46	101.2 Å²	101.2	25%	0.246	55%	0.547	C	S	.	.	H	α-helix	trans	-69.3	-37.7	-172.8	-76	1.1	0	0	0	113	N358 N359 T520 I526	N358-N524 VanDerWaalsContact CG-CG 3.43Å; N358-N524 PolarHBondContact ND2-ND2 2.71Å; N358-N524 VanDerWaalsContact OD1-CA 3.25Å; N358-N524 WeakPolarHBondContact OD1-CA 3.43Å; N358-N524 WeakPolarHBondContact OD1-CB 3.19Å; N358-N524 PolarHBondContact OD1-O 3.04Å; N358-N524 PolarHBondContact OD1-OD1 2.96Å; N359-N524 VanDerWaalsContact ND2-CA 3.34Å; N359-N524 WeakPolarHBondContact ND2-CA 3.18Å; N359-N524 PolarHBondContact ND2-N 2.91Å; N359-N524 PolarHBondContact ND2-OD1 3.33Å; T520-N524 PolarHBondContact O-N 3.1Å; N524-I526 PolarHBondContact O-N 2.79Å
525	N	35.8	Very low	36.7	Very low	108 Å²	108	96.9 Å²	96.9	58%	0.578	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	37.8	175.5	-65.2	-65.5	0	0	0	114	N521	N521-N525 PolarHBondContact O-N 2.95Å; N521-N525 PolarHBondContact O-ND2 2.91Å
526	I	39.3	Very low	38.1	Very low	75 Å²	75	95.9 Å²	95.9	39%	0.385	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.5	-22.1	-178.9	-65.2	-177.5	0	0	0	113.1	V522 N524 F530	V522-I526 WeakPolarHBondContact O-CD1 3.31Å; N524-I526 PolarHBondContact O-N 2.79Å; I526-F530 HydrophobicContact CG2-CE2 3.61Å; I526-F530 HydrophobicContact CG2-CZ 3.95Å; I526-F530 WeakPolarHBondContact O-CD2 3.42Å; I526-F530 WeakPolarHBondContact O-CE2 3.35Å
527	S	35.9	Very low	40.4	Very low	56 Å²	56	94.6 Å²	94.6	39%	0.392	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-20.7	-178.1	-67.2	0	0	0	0	115.6	N359	N359-S527 WeakPolarHBondContact CA-OG 2.94Å; N359-S527 VanDerWaalsContact OD1-CB 3.31Å; N359-S527 WeakPolarHBondContact OD1-CB 3.45Å; N359-S527 PolarHBondContact OD1-OG 3.37Å
528	T	36.3	Very low	42.9	Very low	96 Å²	96	88.7 Å²	88.7	59%	0.589	48%	0.483	S	S	*	.	S	Bend	trans	-91.1	-38	175.6	41.5	0	0	0	0	112.4	F530	T528-F530 VanDerWaalsContact C-N 3.33Å; T528-F530 PolarHBondContact O-N 3.13Å
529	D	34.3	Very low	45.4	Very low	72 Å²	72	85 Å²	85	39%	0.385	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-5.6	-175.9	-86.5	-39.9	0	0	0	116	N531 S532 M533	D529-N531 PolarHBondContact O-N 2.76Å; D529-S532 VanDerWaalsContact CA-OG 3.3Å; D529-S532 WeakPolarHBondContact CA-OG 3.44Å; D529-S532 PolarHBondContact O-N 2.88Å; D529-S532 PolarHBondContact O-OG 3.14Å; D529-S532 PolarHBondContact OD1-OG 3.39Å; D529-M533 WeakPolarHBondContact O-CB 3.12Å; D529-M533 WeakPolarHBondContact O-CG 3.31Å; D529-M533 PolarHBondContact O-N 3.26Å
530	F	34.9	Very low	47.9	Very low	125 Å²	125	82.6 Å²	82.6	55%	0.548	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-16.9	174.3	-81.6	-49.9	0	0	0	114	I526 T528	I526-F530 HydrophobicContact CG2-CE2 3.61Å; I526-F530 HydrophobicContact CG2-CZ 3.95Å; I526-F530 WeakPolarHBondContact O-CD2 3.42Å; I526-F530 WeakPolarHBondContact O-CE2 3.35Å; T528-F530 VanDerWaalsContact C-N 3.33Å; T528-F530 PolarHBondContact O-N 3.13Å
531	N	38.6	Very low	50.5	Low	135 Å²	135	82.1 Å²	82.1	72%	0.722	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-26.9	171.2	-68.3	-26.6	0	0	0	112.7	D529	D529-N531 PolarHBondContact O-N 2.76Å
532	S	37.2	Very low	53.3	Low	72 Å²	72	78.4 Å²	78.4	50%	0.503	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-35.2	175.2	71.1	0	0	0	0	112.3	D529 L534	D529-S532 VanDerWaalsContact CA-OG 3.3Å; D529-S532 WeakPolarHBondContact CA-OG 3.44Å; D529-S532 PolarHBondContact O-N 2.88Å; D529-S532 PolarHBondContact O-OG 3.14Å; D529-S532 PolarHBondContact OD1-OG 3.39Å; S532-L534 PolarHBondContact O-N 3.38Å
533	M	39.2	Very low	55.8	Low	119 Å²	119	74.9 Å²	74.9	59%	0.586	40%	0.404	S	S	*	.	S	Bend	trans	-74.4	-3.2	174.5	-69.9	-161.8	76.2	0	0	113.8	D529 S535	D529-M533 WeakPolarHBondContact O-CB 3.12Å; D529-M533 WeakPolarHBondContact O-CG 3.31Å; D529-M533 PolarHBondContact O-N 3.26Å; M533-S535 VanDerWaalsContact C-N 3.26Å; M533-S535 PolarHBondContact O-N 2.88Å
534	L	46.2	Very low	58.4	Low	48 Å²	48	74.8 Å²	74.8	25%	0.251	40%	0.399	S	S	.	.	S	Bend	trans	-79.5	81	157.6	-73.3	172.9	0	0	0	108.1	L486 S487 S532 D536	L486-L534 HydrophobicContact CB-CD2 4.13Å; S487-L534 WeakPolarHBondContact OG-CD2 3.44Å; S532-L534 PolarHBondContact O-N 3.38Å; L534-D536 PolarHBondContact O-N 3.23Å
535	S	57.9	Low	61.1	Low	51 Å²	51	74.4 Å²	74.4	36%	0.357	40%	0.402	S	S	.	.			trans	-64.5	103.6	168.6	51.3	0	0	0	0	108.9	M533 E537 P538	M533-S535 VanDerWaalsContact C-N 3.26Å; M533-S535 PolarHBondContact O-N 2.88Å; S535-E537 PolarHBondContact O-N 2.87Å; S535-P538 WeakPolarHBondContact O-CD 3.32Å; S535-P538 VanDerWaalsContact O-CG 3.24Å; S535-P538 WeakPolarHBondContact O-CG 3.42Å; S535-P538 WeakPolarHBondContact OG-CG 3.23Å
536	D	66.7	Low	63.6	Low	111 Å²	111	69.3 Å²	69.3	59%	0.594	38%	0.375	S	S	*	.	H	α-helix	trans	-65.5	-19.7	175.7	-89.3	-33.1	0	0	0	111.6	L534 L539 K540	L534-D536 PolarHBondContact O-N 3.23Å; D536-L539 CarbonylContact O-C 3.58Å; D536-L539 WeakPolarHBondContact O-CB 3.33Å; D536-L539 PolarHBondContact O-N 3.01Å; D536-L539 VanDerWaalsContact O-N 3.12Å; D536-K540 VanDerWaalsContact O-CB 3.25Å; D536-K540 WeakPolarHBondContact O-CB 3.36Å; D536-K540 PolarHBondContact O-N 3.14Å
537	E	79.1	Confident	66	Low	120 Å²	120	68.6 Å²	68.6	56%	0.561	37%	0.367	S	S	*	.	H	α-helix	trans	-55.8	-56.6	178.8	-179.2	174.4	-160.4	0	0	114.1	S535 L539 K540 N541	S535-E537 PolarHBondContact O-N 2.87Å; E537-L539 PolarHBondContact O-N 2.73Å; E537-K540 PolarHBondContact O-N 3.47Å; E537-N541 WeakPolarHBondContact CG-ND2 3.13Å; E537-N541 VanDerWaalsContact O-CB 3.27Å; E537-N541 WeakPolarHBondContact O-CB 3.34Å; E537-N541 PolarHBondContact O-N 2.57Å; E537-N541 PolarHBondContact O-ND2 2.92Å
538	P	81.3	Confident	68.4	Low	25 Å²	25	69.5 Å²	69.5	16%	0.162	37%	0.374	C	S	.	.	H	α-helix	trans	-61	-27	173.5	21.8	-34.1	0	0	0	113.9	L490 S535 Y542 L592	L490-P538 HydrophobicContact CD1-CG 3.87Å; L490-P538 HydrophobicContact CD2-CB 4.21Å; L490-P538 HydrophobicContact CD2-CG 3.93Å; S535-P538 WeakPolarHBondContact O-CD 3.32Å; S535-P538 VanDerWaalsContact O-CG 3.24Å; S535-P538 WeakPolarHBondContact O-CG 3.42Å; S535-P538 WeakPolarHBondContact OG-CG 3.23Å; P538-Y542 VanDerWaalsContact O-CB 3.26Å; P538-Y542 WeakPolarHBondContact O-CB 3.04Å; P538-Y542 PolarHBondContact O-N 3.47Å; P538-Y542 VanDerWaalsContact O-N 3.08Å; P538-L592 HydrophobicContact CB-CD2 4.27Å
539	L	86.1	Confident	70.8	Confident	16 Å²	16	67 Å²	67	8%	0.084	36%	0.356	C	S	.	.	H	α-helix	trans	-73.4	-46	174	-178.6	60.1	0	0	0	111.6	W481 L486 D536 E537 Y542 L543 Y582 L585	W481-L539 HydrophobicContact CH2-CD1 3.91Å; W481-L539 HydrophobicContact CH2-CD2 4.35Å; W481-L539 HydrophobicContact CZ2-CD2 4.29Å; L486-L539 HydrophobicContact CD1-CB 4.12Å; L486-L539 HydrophobicContact CD1-CD1 4.17Å; L486-L539 HydrophobicContact CD1-CD2 3.84Å; L486-L539 HydrophobicContact CD1-CG 4.26Å; D536-L539 CarbonylContact O-C 3.58Å; D536-L539 WeakPolarHBondContact O-CB 3.33Å; D536-L539 PolarHBondContact O-N 3.01Å; D536-L539 VanDerWaalsContact O-N 3.12Å; E537-L539 PolarHBondContact O-N 2.73Å; L539-Y542 HydrophobicContact CD1-CD1 4.43Å; L539-Y542 PolarHBondContact O-N 3.49Å; L539-L543 HydrophobicContact CG-CD1 4.3Å; L539-L543 WeakPolarHBondContact O-CB 3.4Å; L539-L543 VanDerWaalsContact O-CG 3.32Å; L539-L543 WeakPolarHBondContact O-CG 3.49Å; L539-L543 PolarHBondContact O-N 3.32Å; L539-Y582 HydrophobicContact CD1-CD1 4.43Å; L539-Y582 HydrophobicContact CD1-CE1 4.1Å; L539-Y582 HydrophobicContact CD2-CE1 4.36Å; L539-L585 HydrophobicContact CD1-CD2 3.84Å
540	K	86.9	Confident	73.2	Confident	131 Å²	131	63.6 Å²	63.6	57%	0.57	34%	0.338	S	S	*	.	H	α-helix	trans	-59	-51.1	174.4	-179	177.4	178.8	179.8	0	110.5	D536 E537 Y542 L543 D544	D536-K540 VanDerWaalsContact O-CB 3.25Å; D536-K540 WeakPolarHBondContact O-CB 3.36Å; D536-K540 PolarHBondContact O-N 3.14Å; E537-K540 PolarHBondContact O-N 3.47Å; K540-Y542 VanDerWaalsContact C-N 3.29Å; K540-Y542 PolarHBondContact O-N 3.32Å; K540-L543 CarbonylContact O-C 3.6Å; K540-L543 WeakPolarHBondContact O-CB 3.27Å; K540-L543 PolarHBondContact O-N 2.71Å; K540-D544 WeakPolarHBondContact CG-OD2 3.49Å; K540-D544 WeakPolarHBondContact O-CB 3.43Å; K540-D544 PolarHBondContact O-N 3.24Å
541	N	87.7	Confident	75.5	Confident	89 Å²	89	58.6 Å²	58.6	48%	0.476	32%	0.319	S	S	.	.	H	α-helix	trans	-59.6	-37.6	176.4	-68.7	-18.9	0	0	0	112.2	E537 A545	E537-N541 WeakPolarHBondContact CG-ND2 3.13Å; E537-N541 VanDerWaalsContact O-CB 3.27Å; E537-N541 WeakPolarHBondContact O-CB 3.34Å; E537-N541 PolarHBondContact O-N 2.57Å; E537-N541 PolarHBondContact O-ND2 2.92Å; N541-A545 VanDerWaalsContact O-CB 3.26Å; N541-A545 WeakPolarHBondContact O-CB 3.27Å; N541-A545 PolarHBondContact O-N 3.4Å
542	Y	90.3	Very high	77.5	Confident	4 Å²	4	59.4 Å²	59.4	2%	0.016	32%	0.317	C	S	.	.	H	α-helix	trans	-67.4	-45.7	171.7	169.4	-106.7	0	0	0	112.4	P538 L539 K540 D544 A545 V546 A581 L585 A595 L596 I599	P538-Y542 VanDerWaalsContact O-CB 3.26Å; P538-Y542 WeakPolarHBondContact O-CB 3.04Å; P538-Y542 PolarHBondContact O-N 3.47Å; P538-Y542 VanDerWaalsContact O-N 3.08Å; L539-Y542 HydrophobicContact CD1-CD1 4.43Å; L539-Y542 PolarHBondContact O-N 3.49Å; K540-Y542 VanDerWaalsContact C-N 3.29Å; K540-Y542 PolarHBondContact O-N 3.32Å; Y542-D544 VanDerWaalsContact C-N 3.33Å; Y542-D544 PolarHBondContact O-N 2.9Å; Y542-A545 PolarHBondContact O-N 2.81Å; Y542-V546 HydrophobicContact CD2-CG2 4.27Å; Y542-V546 HydrophobicContact CE1-CG2 4.49Å; Y542-V546 HydrophobicContact CE2-CG2 3.86Å; Y542-V546 VanDerWaalsContact O-CG2 3.29Å; Y542-V546 WeakPolarHBondContact O-CG2 3.48Å; Y542-V546 PolarHBondContact O-N 3.3Å; Y542-A581 HydrophobicContact CE1-CB 3.74Å; Y542-A581 WeakPolarHBondContact CE1-O 3.3Å; Y542-A581 PolarHBondContact OH-O 3.41Å; Y542-L585 HydrophobicContact CD1-CD1 4.36Å; Y542-L585 HydrophobicContact CD1-CD2 4.04Å; Y542-L585 HydrophobicContact CE1-CB 3.81Å; Y542-L585 HydrophobicContact CE1-CD1 4.12Å; Y542-L585 HydrophobicContact CE1-CD2 4Å; Y542-L585 HydrophobicContact CE1-CG 4.19Å; Y542-L585 HydrophobicContact CE2-CD1 4.48Å; Y542-A595 HydrophobicContact CE2-CB 3.66Å; Y542-L596 HydrophobicContact CD2-CD2 3.82Å; Y542-L596 HydrophobicContact CD2-CG 4.04Å; Y542-L596 HydrophobicContact CE2-CD2 3.99Å; Y542-L596 HydrophobicContact CE2-CG 4.17Å; Y542-I599 HydrophobicContact CE2-CD1 4.38Å; Y542-I599 WeakPolarHBondContact OH-CD1 3.24Å
543	L	90.1	Very high	79.5	Confident	15 Å²	15	60.7 Å²	60.7	8%	0.079	31%	0.314	C	S	.	.	H	α-helix	trans	-61.1	-41.3	176.6	-73.2	173.3	0	0	0	111.8	L539 K540 V546 R547 T578 A581 Y582	L539-L543 HydrophobicContact CG-CD1 4.3Å; L539-L543 WeakPolarHBondContact O-CB 3.4Å; L539-L543 VanDerWaalsContact O-CG 3.32Å; L539-L543 WeakPolarHBondContact O-CG 3.49Å; L539-L543 PolarHBondContact O-N 3.32Å; K540-L543 CarbonylContact O-C 3.6Å; K540-L543 WeakPolarHBondContact O-CB 3.27Å; K540-L543 PolarHBondContact O-N 2.71Å; L543-V546 PolarHBondContact O-N 2.86Å; L543-R547 WeakPolarHBondContact O-CB 3.39Å; L543-R547 VanDerWaalsContact O-CG 3.28Å; L543-R547 WeakPolarHBondContact O-CG 3.26Å; L543-R547 PolarHBondContact O-N 2.67Å; L543-T578 HydrophobicContact CD2-CG2 4.11Å; L543-A581 HydrophobicContact CD2-CB 3.61Å; L543-Y582 HydrophobicContact CD1-CE1 4.05Å; L543-Y582 HydrophobicContact CD2-CD1 4.37Å; L543-Y582 HydrophobicContact CD2-CE1 3.96Å; L543-Y582 HydrophobicContact CG-CE1 4.41Å
544	D	88.8	Confident	81	Confident	57 Å²	57	55.8 Å²	55.8	31%	0.305	29%	0.293	S	S	.	.	H	α-helix	trans	-75.1	-33.9	-179.2	-68.1	-29.1	0	0	0	112.2	K540 Y542 V546 R547 S548	K540-D544 WeakPolarHBondContact CG-OD2 3.49Å; K540-D544 WeakPolarHBondContact O-CB 3.43Å; K540-D544 PolarHBondContact O-N 3.24Å; Y542-D544 VanDerWaalsContact C-N 3.33Å; Y542-D544 PolarHBondContact O-N 2.9Å; D544-V546 VanDerWaalsContact C-N 3.35Å; D544-R547 PolarHBondContact O-N 2.8Å; D544-R547 WeakPolarHBondContact OD1-CD 3.28Å; D544-R547 IonicContact OD1-CZ 3.24Å; D544-R547 IonicContact OD1-NE 3.19Å; D544-R547 IonicContact OD1-NH1 2.73Å; D544-R547 PolarHBondContact OD1-NH1 2.77Å; D544-S548 VanDerWaalsContact O-CB 3.26Å; D544-S548 WeakPolarHBondContact O-CB 3.23Å; D544-S548 PolarHBondContact O-N 2.84Å; D544-S548 PolarHBondContact O-OG 2.82Å
545	A	89.7	Confident	82.3	Confident	37 Å²	37	58.1 Å²	58.1	31%	0.306	30%	0.302	S	S	.	.	H	α-helix	trans	-62.4	-40.6	166.8	0	0	0	0	0	111.9	N541 Y542 S548 M549 L596	N541-A545 VanDerWaalsContact O-CB 3.26Å; N541-A545 WeakPolarHBondContact O-CB 3.27Å; N541-A545 PolarHBondContact O-N 3.4Å; Y542-A545 PolarHBondContact O-N 2.81Å; A545-S548 PolarHBondContact O-N 3.24Å; A545-M549 WeakPolarHBondContact O-CG 3.43Å; A545-M549 PolarHBondContact O-N 2.62Å; A545-L596 HydrophobicContact CB-CD2 4.02Å
546	V	89.4	Confident	82.4	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.006	32%	0.318	C	S	.	.	H	α-helix	trans	-68.7	-44.1	176	172.5	0	0	0	0	111.6	Y542 L543 D544 S548 M549 V550 T577 A581 L596 I599	Y542-V546 HydrophobicContact CD2-CG2 4.27Å; Y542-V546 HydrophobicContact CE1-CG2 4.49Å; Y542-V546 HydrophobicContact CE2-CG2 3.86Å; Y542-V546 VanDerWaalsContact O-CG2 3.29Å; Y542-V546 WeakPolarHBondContact O-CG2 3.48Å; Y542-V546 PolarHBondContact O-N 3.3Å; L543-V546 PolarHBondContact O-N 2.86Å; D544-V546 VanDerWaalsContact C-N 3.35Å; V546-S548 VanDerWaalsContact C-N 3.29Å; V546-S548 PolarHBondContact O-N 3.04Å; V546-M549 HydrophobicContact CG2-CE 4.09Å; V546-M549 PolarHBondContact O-N 2.66Å; V546-V550 HydrophobicContact CG1-CG2 4.48Å; V546-V550 WeakPolarHBondContact O-CB 3.13Å; V546-V550 WeakPolarHBondContact O-CG2 3.27Å; V546-V550 PolarHBondContact O-N 2.94Å; V546-T577 HydrophobicContact CG1-CG2 4.09Å; V546-A581 HydrophobicContact CB-CB 4.32Å; V546-A581 HydrophobicContact CG1-CB 4.05Å; V546-A581 HydrophobicContact CG2-CB 4.28Å; V546-L596 HydrophobicContact CG2-CD2 4.43Å; V546-I599 HydrophobicContact CB-CD1 4.39Å; V546-I599 HydrophobicContact CG1-CD1 4Å; V546-I599 HydrophobicContact CG1-CG2 4.3Å; V546-I599 HydrophobicContact CG2-CD1 3.41Å; V546-I599 VanDerWaalsContact CG2-CD1 3.41Å; V546-I599 HydrophobicContact CG2-CG2 4.4Å
547	R	88.8	Confident	82	Confident	60 Å²	60	57.5 Å²	57.5	23%	0.226	33%	0.33	C	S	.	.	H	α-helix	trans	-56.2	-44.3	171.8	-75.6	170.6	-177.5	133.9	-0.7	111	L543 D544 V550 A551 A572	L543-R547 WeakPolarHBondContact O-CB 3.39Å; L543-R547 VanDerWaalsContact O-CG 3.28Å; L543-R547 WeakPolarHBondContact O-CG 3.26Å; L543-R547 PolarHBondContact O-N 2.67Å; D544-R547 PolarHBondContact O-N 2.8Å; D544-R547 WeakPolarHBondContact OD1-CD 3.28Å; D544-R547 IonicContact OD1-CZ 3.24Å; D544-R547 IonicContact OD1-NE 3.19Å; D544-R547 IonicContact OD1-NH1 2.73Å; D544-R547 PolarHBondContact OD1-NH1 2.77Å; R547-V550 PolarHBondContact O-N 3.45Å; R547-A551 WeakPolarHBondContact O-CB 3.45Å; R547-A551 PolarHBondContact O-N 2.87Å; R547-A572 HydrophobicContact CB-CB 4.09Å; R547-A572 VanDerWaalsContact O-CB 3.27Å; R547-A572 WeakPolarHBondContact O-CB 3.39Å
548	S	87.4	Confident	80.5	Confident	76 Å²	76	54.7 Å²	54.7	53%	0.531	33%	0.327	S	S	.	.	H	α-helix	trans	-64.7	-43.7	178.5	-59.8	0	0	0	0	112.5	D544 A545 V546 A551 F552	D544-S548 VanDerWaalsContact O-CB 3.26Å; D544-S548 WeakPolarHBondContact O-CB 3.23Å; D544-S548 PolarHBondContact O-N 2.84Å; D544-S548 PolarHBondContact O-OG 2.82Å; A545-S548 PolarHBondContact O-N 3.24Å; V546-S548 VanDerWaalsContact C-N 3.29Å; V546-S548 PolarHBondContact O-N 3.04Å; S548-A551 PolarHBondContact O-N 3.18Å; S548-F552 WeakPolarHBondContact O-CB 3.2Å; S548-F552 PolarHBondContact O-N 2.7Å
549	M	85.9	Confident	79.2	Confident	43 Å²	43	61.3 Å²	61.3	21%	0.212	36%	0.361	C	S	.	.	H	α-helix	trans	-60.6	-45.7	172.1	-76.1	-173.7	-72.6	0	0	111.5	A545 V546 A551 F552 F553 L596 I599	A545-M549 WeakPolarHBondContact O-CG 3.43Å; A545-M549 PolarHBondContact O-N 2.62Å; V546-M549 HydrophobicContact CG2-CE 4.09Å; V546-M549 PolarHBondContact O-N 2.66Å; M549-A551 PolarHBondContact O-N 2.79Å; M549-F552 PolarHBondContact O-N 3.04Å; M549-F553 WeakPolarHBondContact O-CD2 3.5Å; M549-F553 PolarHBondContact O-N 3.35Å; M549-L596 HydrophobicContact CE-CD2 3.7Å; M549-I599 HydrophobicContact CE-CB 4.31Å; M549-I599 HydrophobicContact CE-CG2 3.84Å
550	V	84.8	Confident	77.8	Confident	1 Å²	1	64.7 Å²	64.7	1%	0.006	38%	0.379	C	S	.	.	H	α-helix	trans	-69.4	-32.4	-179.6	172.8	0	0	0	0	112.6	V546 R547 G554 L571 T577 P603	V546-V550 HydrophobicContact CG1-CG2 4.48Å; V546-V550 WeakPolarHBondContact O-CB 3.13Å; V546-V550 WeakPolarHBondContact O-CG2 3.27Å; V546-V550 PolarHBondContact O-N 2.94Å; R547-V550 PolarHBondContact O-N 3.45Å; V550-G554 PolarHBondContact O-N 2.82Å; V550-G554 VanDerWaalsContact O-N 3.1Å; V550-L571 HydrophobicContact CG1-CB 3.77Å; V550-T577 HydrophobicContact CB-CG2 3.92Å; V550-T577 HydrophobicContact CG1-CG2 4.06Å; V550-T577 HydrophobicContact CG2-CG2 3.78Å; V550-P603 HydrophobicContact CG2-CB 4.45Å; V550-P603 WeakPolarHBondContact CG2-O 3.41Å
551	A	83.9	Confident	76.5	Confident	19 Å²	19	64.5 Å²	64.5	16%	0.157	38%	0.384	C	S	.	.	H	α-helix	trans	-60.2	-56.1	168.1	0	0	0	0	0	110.1	R547 S548 M549 F553 G554 F555 A572	R547-A551 WeakPolarHBondContact O-CB 3.45Å; R547-A551 PolarHBondContact O-N 2.87Å; S548-A551 PolarHBondContact O-N 3.18Å; M549-A551 PolarHBondContact O-N 2.79Å; A551-F553 PolarHBondContact O-N 3.41Å; A551-G554 CarbonylContact O-C 3.55Å; A551-G554 VanDerWaalsContact O-CA 3.22Å; A551-G554 WeakPolarHBondContact O-CA 3.36Å; A551-G554 PolarHBondContact O-N 2.9Å; A551-F555 VanDerWaalsContact O-CD2 3.24Å; A551-F555 WeakPolarHBondContact O-CD2 3.13Å; A551-F555 PolarHBondContact O-N 3.49Å; A551-F555 VanDerWaalsContact O-N 3.07Å; A551-A572 HydrophobicContact CB-CB 4.04Å
552	F	81.3	Confident	75.3	Confident	153 Å²	153	67.6 Å²	67.6	67%	0.671	40%	0.4	S	S	*	.	H	α-helix	trans	-55.7	-46.8	-178.6	-177.2	-97.7	0	0	0	112.9	S548 M549 G554 F555	S548-F552 WeakPolarHBondContact O-CB 3.2Å; S548-F552 PolarHBondContact O-N 2.7Å; M549-F552 PolarHBondContact O-N 3.04Å; F552-G554 PolarHBondContact O-N 3.48Å; F552-F555 PolarHBondContact O-N 2.93Å
553	F	77.6	Confident	73.9	Confident	99 Å²	99	69.9 Å²	69.9	43%	0.434	42%	0.42	S	S	.	.	H	α-helix	trans	-67.6	-18.8	173.7	-84.5	-85.3	0	0	0	113.6	M549 A551 P603	M549-F553 WeakPolarHBondContact O-CD2 3.5Å; M549-F553 PolarHBondContact O-N 3.35Å; A551-F553 PolarHBondContact O-N 3.41Å; F553-P603 HydrophobicContact CB-CB 4.38Å; F553-P603 HydrophobicContact CB-CG 4.04Å; F553-P603 HydrophobicContact CD1-CG 3.69Å; F553-P603 HydrophobicContact CD2-CB 3.73Å; F553-P603 HydrophobicContact CD2-CG 3.47Å; F553-P603 VanDerWaalsContact CD2-CG 3.47Å; F553-P603 HydrophobicContact CE1-CG 3.93Å; F553-P603 HydrophobicContact CE2-CB 4.16Å; F553-P603 HydrophobicContact CE2-CG 3.72Å; F553-P603 HydrophobicContact CG-CB 4.04Å; F553-P603 HydrophobicContact CG-CG 3.44Å; F553-P603 VanDerWaalsContact CG-CG 3.44Å; F553-P603 HydrophobicContact CZ-CG 3.94Å
554	G	72.2	Confident	72.8	Confident	15 Å²	15	69.8 Å²	69.8	16%	0.155	42%	0.42	C	S	.	.	H	α-helix	trans	-83.2	-17.5	172.8	0	0	0	0	0	115.4	V550 A551 F552 G556	V550-G554 PolarHBondContact O-N 2.82Å; V550-G554 VanDerWaalsContact O-N 3.1Å; A551-G554 CarbonylContact O-C 3.55Å; A551-G554 VanDerWaalsContact O-CA 3.22Å; A551-G554 WeakPolarHBondContact O-CA 3.36Å; A551-G554 PolarHBondContact O-N 2.9Å; F552-G554 PolarHBondContact O-N 3.48Å; G554-G556 VanDerWaalsContact C-N 3.26Å
555	F	73.6	Confident	72.1	Confident	97 Å²	97	68.5 Å²	68.5	43%	0.425	42%	0.418	S	S	.	.	S	Bend	trans	-75.4	-10.7	171.5	-83.1	-93.1	0	0	0	113.2	A551 F552 G557 S564 A565	A551-F555 VanDerWaalsContact O-CD2 3.24Å; A551-F555 WeakPolarHBondContact O-CD2 3.13Å; A551-F555 PolarHBondContact O-N 3.49Å; A551-F555 VanDerWaalsContact O-N 3.07Å; F552-F555 PolarHBondContact O-N 2.93Å; F555-G557 PolarHBondContact O-N 3.26Å; F555-S564 WeakPolarHBondContact CA-OG 3.49Å; F555-S564 PolarHBondContact O-OG 2.93Å; F555-A565 HydrophobicContact CD1-CB 4.32Å; F555-A565 VanDerWaalsContact CE1-CA 3.43Å; F555-A565 HydrophobicContact CE1-CB 3.46Å; F555-A565 VanDerWaalsContact CE1-CB 3.46Å; F555-A565 HydrophobicContact CZ-CB 3.85Å
556	G	58.8	Low	71.3	Confident	68 Å²	68	71.7 Å²	71.7	70%	0.701	43%	0.426	S	S	*	.			trans	-70.6	97	-161.9	0	0	0	0	0	116.9	G554	G554-G556 VanDerWaalsContact C-N 3.26Å
557	G	58.4	Low	70.4	Confident	82 Å²	82	74.6 Å²	74.6	85%	0.845	44%	0.442	S	S	*	.	S	Bend	trans	100.4	38	141	0	0	0	0	0	118.5	F555	F555-G557 PolarHBondContact O-N 3.26Å
558	A	48	Very low	70	Confident	61 Å²	61	71.7 Å²	71.7	50%	0.504	43%	0.431	S	S	.	.			trans	-136.4	145.1	165.9	0	0	0	0	0	110	D560	A558-D560 PolarHBondContact O-N 3.36Å
559	D	54.1	Low	69.6	Low	164 Å²	164	72.9 Å²	72.9	88%	0.877	43%	0.431	S	S	*	.	S	Bend	trans	-70.3	-1.1	-164.4	-48.3	-64.1	0	0	0	115.3	D561	D559-D561 PolarHBondContact O-N 2.94Å
560	D	56.3	Low	69.2	Low	87 Å²	87	72.2 Å²	72.2	47%	0.465	43%	0.429	S	S	.	.			trans	-97.7	69.8	177.2	-67.9	-53.8	0	0	0	111.2	A558 L562 A563 S564	A558-D560 PolarHBondContact O-N 3.36Å; D560-L562 PolarHBondContact O-N 2.92Å; D560-A563 HydrophobicContact CB-CB 4.08Å; D560-A563 PolarHBondContact O-N 2.99Å; D560-S564 PolarHBondContact O-N 2.88Å
561	D	59.2	Low	68.9	Low	126 Å²	126	72.7 Å²	72.7	67%	0.674	43%	0.431	S	S	*	.	H	α-helix	trans	-45.3	-43.5	-174.1	-78.2	-40.4	0	0	0	114.2	D559 S564 A565	D559-D561 PolarHBondContact O-N 2.94Å; D561-S564 CarbonylContact O-C 3.43Å; D561-S564 WeakPolarHBondContact O-CB 3.39Å; D561-S564 PolarHBondContact O-N 3.23Å; D561-A565 WeakPolarHBondContact O-CB 3.11Å; D561-A565 PolarHBondContact O-N 2.9Å
562	L	62	Low	68.9	Low	155 Å²	155	72 Å²	72	81%	0.812	43%	0.425	S	S	*	.	H	α-helix	trans	-68.9	-36.4	-176.6	-157.4	74.6	0	0	0	112.5	D560 A565 E566	D560-L562 PolarHBondContact O-N 2.92Å; L562-A565 PolarHBondContact O-N 3.43Å; L562-E566 PolarHBondContact O-N 3.49Å
563	A	61	Low	68.9	Low	52 Å²	52	68.8 Å²	68.8	43%	0.43	42%	0.416	S	S	.	.	H	α-helix	trans	-72	-36.5	172.5	0	0	0	0	0	110.6	D560 A565 N567	D560-A563 HydrophobicContact CB-CB 4.08Å; D560-A563 PolarHBondContact O-N 2.99Å; A563-A565 VanDerWaalsContact C-N 3.31Å; A563-A565 PolarHBondContact O-N 3.18Å; A563-N567 WeakPolarHBondContact O-CB 3.46Å; A563-N567 PolarHBondContact O-N 3.39Å; A563-N567 PolarHBondContact O-ND2 2.96Å
564	S	68	Low	69.1	Low	12 Å²	12	65.2 Å²	65.2	8%	0.084	40%	0.401	C	S	.	.	H	α-helix	trans	-61.7	-37.9	172.8	-147.3	0	0	0	0	112.1	F555 D560 D561 N567 G568	F555-S564 WeakPolarHBondContact CA-OG 3.49Å; F555-S564 PolarHBondContact O-OG 2.93Å; D560-S564 PolarHBondContact O-N 2.88Å; D561-S564 CarbonylContact O-C 3.43Å; D561-S564 WeakPolarHBondContact O-CB 3.39Å; D561-S564 PolarHBondContact O-N 3.23Å; S564-N567 CarbonylContact O-C 3.59Å; S564-N567 WeakPolarHBondContact O-CB 3.48Å; S564-N567 PolarHBondContact O-N 2.84Å; S564-G568 PolarHBondContact O-N 3.25Å
565	A	73.8	Confident	69.6	Low	30 Å²	30	64.8 Å²	64.8	25%	0.248	40%	0.396	C	S	.	.	H	α-helix	trans	-65.6	-52.1	177.9	0	0	0	0	0	113.4	F555 D561 L562 A563 N567 G568 L569	F555-A565 HydrophobicContact CD1-CB 4.32Å; F555-A565 VanDerWaalsContact CE1-CA 3.43Å; F555-A565 HydrophobicContact CE1-CB 3.46Å; F555-A565 VanDerWaalsContact CE1-CB 3.46Å; F555-A565 HydrophobicContact CZ-CB 3.85Å; D561-A565 WeakPolarHBondContact O-CB 3.11Å; D561-A565 PolarHBondContact O-N 2.9Å; L562-A565 PolarHBondContact O-N 3.43Å; A563-A565 VanDerWaalsContact C-N 3.31Å; A563-A565 PolarHBondContact O-N 3.18Å; A565-N567 PolarHBondContact O-N 3.1Å; A565-G568 PolarHBondContact O-N 2.82Å; A565-L569 WeakPolarHBondContact O-CB 3.19Å; A565-L569 PolarHBondContact O-N 3.27Å
566	E	72.3	Confident	69.9	Low	104 Å²	104	61.4 Å²	61.4	49%	0.486	39%	0.386	S	S	.	.	H	α-helix	trans	-59.8	-36.2	172.9	-160.7	-145.6	133.9	0	0	109.9	L562 L569 V570 K800	L562-E566 PolarHBondContact O-N 3.49Å; E566-L569 PolarHBondContact O-N 2.78Å; E566-V570 HydrophobicContact CG-CG2 4.35Å; E566-V570 WeakPolarHBondContact O-CB 3.41Å; E566-V570 VanDerWaalsContact O-CG2 3.22Å; E566-V570 WeakPolarHBondContact O-CG2 3.46Å; E566-V570 PolarHBondContact O-N 3.32Å; E566-K800 IonicContact OE1-NZ 3.95Å; E566-K800 PolarHBondContact OE1-NZ 3.29Å
567	N	71.3	Confident	71.2	Confident	62 Å²	62	58.4 Å²	58.4	33%	0.332	35%	0.354	S	S	.	.	H	α-helix	trans	-64.1	-42.2	179.7	-83.1	-39.1	0	0	0	113.4	A563 S564 A565 L571 R611	A563-N567 WeakPolarHBondContact O-CB 3.46Å; A563-N567 PolarHBondContact O-N 3.39Å; A563-N567 PolarHBondContact O-ND2 2.96Å; S564-N567 CarbonylContact O-C 3.59Å; S564-N567 WeakPolarHBondContact O-CB 3.48Å; S564-N567 PolarHBondContact O-N 2.84Å; A565-N567 PolarHBondContact O-N 3.1Å; N567-L571 PolarHBondContact O-N 3.42Å; N567-R611 VanDerWaalsContact C-NH2 3.33Å; N567-R611 VanDerWaalsContact CG-NH2 3.32Å; N567-R611 PolarHBondContact O-NH2 2.82Å; N567-R611 PolarHBondContact OD1-NH1 2.92Å; N567-R611 PolarHBondContact OD1-NH2 2.78Å
568	G	79.3	Confident	72.7	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-68.1	-44.8	174.2	0	0	0	0	0	112.7	S564 A565 V570 L571 A572	S564-G568 PolarHBondContact O-N 3.25Å; A565-G568 PolarHBondContact O-N 2.82Å; G568-V570 VanDerWaalsContact C-N 3.31Å; G568-V570 PolarHBondContact O-N 3.02Å; G568-L571 WeakPolarHBondContact O-CA 3.22Å; G568-L571 WeakPolarHBondContact O-CB 3.37Å; G568-L571 PolarHBondContact O-N 2.89Å; G568-A572 PolarHBondContact O-N 3.17Å
569	L	79.8	Confident	74.5	Confident	100 Å²	100	53.7 Å²	53.7	52%	0.524	30%	0.3	S	S	.	.	H	α-helix	trans	-59.6	-41	176.6	-176.4	61.8	0	0	0	112.1	A565 E566 L571 A572 N573	A565-L569 WeakPolarHBondContact O-CB 3.19Å; A565-L569 PolarHBondContact O-N 3.27Å; E566-L569 PolarHBondContact O-N 2.78Å; L569-L571 VanDerWaalsContact C-N 3.29Å; L569-L571 PolarHBondContact O-N 3.03Å; L569-A572 PolarHBondContact O-N 3.45Å; L569-N573 WeakPolarHBondContact O-CB 3.23Å; L569-N573 PolarHBondContact O-N 2.73Å
570	V	78.6	Confident	76	Confident	29 Å²	29	47.8 Å²	47.8	18%	0.176	27%	0.267	C	S	.	.	H	α-helix	trans	-66.9	-26.9	174.7	169.6	0	0	0	0	112.5	E566 G568 L574	E566-V570 HydrophobicContact CG-CG2 4.35Å; E566-V570 WeakPolarHBondContact O-CB 3.41Å; E566-V570 VanDerWaalsContact O-CG2 3.22Å; E566-V570 WeakPolarHBondContact O-CG2 3.46Å; E566-V570 PolarHBondContact O-N 3.32Å; G568-V570 VanDerWaalsContact C-N 3.31Å; G568-V570 PolarHBondContact O-N 3.02Å; V570-L574 VanDerWaalsContact O-CB 3.32Å; V570-L574 WeakPolarHBondContact O-CB 3.09Å; V570-L574 VanDerWaalsContact O-CG 3.23Å; V570-L574 WeakPolarHBondContact O-CG 3.21Å; V570-L574 PolarHBondContact O-N 3.26Å
571	L	77.5	Confident	77.6	Confident	11 Å²	11	43.7 Å²	43.7	6%	0.058	25%	0.245	C	C	.	.	H	α-helix	trans	-76.2	-43	172.4	-81.7	168	0	0	0	112.4	V550 N567 G568 L569 N573 L574 T577 R611	V550-L571 HydrophobicContact CG1-CB 3.77Å; N567-L571 PolarHBondContact O-N 3.42Å; G568-L571 WeakPolarHBondContact O-CA 3.22Å; G568-L571 WeakPolarHBondContact O-CB 3.37Å; G568-L571 PolarHBondContact O-N 2.89Å; L569-L571 VanDerWaalsContact C-N 3.29Å; L569-L571 PolarHBondContact O-N 3.03Å; L571-N573 VanDerWaalsContact C-N 3.31Å; L571-N573 PolarHBondContact O-N 3.49Å; L571-L574 HydrophobicContact CD2-CD1 4.25Å; L571-L574 WeakPolarHBondContact O-CB 3.45Å; L571-L574 PolarHBondContact O-N 2.75Å; L571-T577 PolarHBondContact O-OG1 3.4Å; L571-R611 VanDerWaalsContact CD1-NE 3.35Å; L571-R611 HydrophobicContact CD2-CG 4.07Å; L571-R611 HydrophobicContact CG-CG 4.48Å
572	A	83.2	Confident	79	Confident	4 Å²	4	40.9 Å²	40.9	3%	0.033	23%	0.226	C	C	.	.	H	α-helix	trans	-58.5	-46.4	176.1	0	0	0	0	0	111.1	R547 A551 G568 L569 L574	R547-A572 HydrophobicContact CB-CB 4.09Å; R547-A572 VanDerWaalsContact O-CB 3.27Å; R547-A572 WeakPolarHBondContact O-CB 3.39Å; A551-A572 HydrophobicContact CB-CB 4.04Å; G568-A572 PolarHBondContact O-N 3.17Å; L569-A572 PolarHBondContact O-N 3.45Å; A572-L574 VanDerWaalsContact C-N 3.28Å; A572-L574 PolarHBondContact O-N 2.69Å
573	N	82.5	Confident	80.2	Confident	87 Å²	87	35.6 Å²	35.6	47%	0.465	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	9.8	-179.9	-63.1	-19.2	0	0	0	113.5	L569 L571	L569-N573 WeakPolarHBondContact O-CB 3.23Å; L569-N573 PolarHBondContact O-N 2.73Å; L571-N573 VanDerWaalsContact C-N 3.31Å; L571-N573 PolarHBondContact O-N 3.49Å
574	L	80.6	Confident	81.5	Confident	23 Å²	23	33.4 Å²	33.4	12%	0.12	18%	0.18	C	C	.	.	S	Bend	trans	-82.2	123.5	169.8	-106.9	170.4	0	0	0	110.3	V570 L571 A572 A576 T577 P610 Y796 M1993	V570-L574 VanDerWaalsContact O-CB 3.32Å; V570-L574 WeakPolarHBondContact O-CB 3.09Å; V570-L574 VanDerWaalsContact O-CG 3.23Å; V570-L574 WeakPolarHBondContact O-CG 3.21Å; V570-L574 PolarHBondContact O-N 3.26Å; L571-L574 HydrophobicContact CD2-CD1 4.25Å; L571-L574 WeakPolarHBondContact O-CB 3.45Å; L571-L574 PolarHBondContact O-N 2.75Å; A572-L574 VanDerWaalsContact C-N 3.28Å; A572-L574 PolarHBondContact O-N 2.69Å; L574-A576 PolarHBondContact O-N 3.26Å; L574-T577 WeakPolarHBondContact O-CB 3.49Å; L574-T577 PolarHBondContact O-N 3.1Å; L574-T577 PolarHBondContact O-OG1 3.05Å; L574-P610 HydrophobicContact CD1-CG 4.03Å; L574-P610 HydrophobicContact CD2-CG 4.06Å; L574-Y796 HydrophobicContact CD2-CE2 4.25Å; L574-M1993 VanDerWaalsContact C-CE 3.48Å; L574-M1993 WeakPolarHBondContact O-CE 3.49Å
575	A	82.9	Confident	82.6	Confident	7 Å²	7	32.9 Å²	32.9	6%	0.058	18%	0.176	C	C	.	.	H	α-helix	trans	-34.8	-43.9	179.7	0	0	0	0	0	118	T577 T578 Q579 M1993 T1994	A575-T577 PolarHBondContact O-N 2.8Å; A575-T578 PolarHBondContact O-N 3.19Å; A575-T578 VanDerWaalsContact O-N 3.16Å; A575-Q579 PolarHBondContact O-N 2.86Å; A575-M1993 HydrophobicContact CB-CB 4.06Å; A575-M1993 HydrophobicContact CB-CG 4.46Å; A575-T1994 VanDerWaalsContact CB-O 3.31Å; A575-T1994 WeakPolarHBondContact CB-O 3.36Å; A575-T1994 WeakPolarHBondContact CB-OG1 3.14Å
576	A	81.1	Confident	83.3	Confident	26 Å²	26	33.4 Å²	33.4	22%	0.215	17%	0.173	C	C	.	.	H	α-helix	trans	-57.1	-35.2	-178.6	0	0	0	0	0	111.5	L574 Q579 H580 V605 T609	L574-A576 PolarHBondContact O-N 3.26Å; A576-Q579 PolarHBondContact O-N 2.88Å; A576-H580 WeakPolarHBondContact O-CB 3.31Å; A576-H580 PolarHBondContact O-N 3.41Å; A576-V605 HydrophobicContact CB-CB 3.86Å; A576-V605 HydrophobicContact CB-CG1 3.75Å; A576-V605 WeakPolarHBondContact O-CG1 3.47Å; A576-T609 HydrophobicContact CB-CG2 3.5Å
577	T	86.3	Confident	84	Confident	4 Å²	4	34.6 Å²	34.6	3%	0.025	18%	0.177	C	C	.	.	H	α-helix	trans	-56.9	-51.6	175	-58.1	0	0	0	0	111.9	V546 V550 L571 L574 A575 Q579 H580 A581	V546-T577 HydrophobicContact CG1-CG2 4.09Å; V550-T577 HydrophobicContact CB-CG2 3.92Å; V550-T577 HydrophobicContact CG1-CG2 4.06Å; V550-T577 HydrophobicContact CG2-CG2 3.78Å; L571-T577 PolarHBondContact O-OG1 3.4Å; L574-T577 WeakPolarHBondContact O-CB 3.49Å; L574-T577 PolarHBondContact O-N 3.1Å; L574-T577 PolarHBondContact O-OG1 3.05Å; A575-T577 PolarHBondContact O-N 2.8Å; T577-Q579 VanDerWaalsContact C-N 3.35Å; T577-Q579 PolarHBondContact O-N 3.06Å; T577-H580 PolarHBondContact O-N 2.77Å; T577-A581 PolarHBondContact O-N 3.49Å
578	T	88.8	Confident	84.8	Confident	13 Å²	13	32.7 Å²	32.7	8%	0.08	17%	0.168	C	C	.	.	H	α-helix	trans	-63.8	-38.6	174.7	-70.7	0	0	0	0	111.8	L543 A575 A581 Y582 M1993	L543-T578 HydrophobicContact CD2-CG2 4.11Å; A575-T578 PolarHBondContact O-N 3.19Å; A575-T578 VanDerWaalsContact O-N 3.16Å; T578-A581 WeakPolarHBondContact O-CB 3.19Å; T578-A581 PolarHBondContact O-N 3.07Å; T578-Y582 HydrophobicContact CG2-CD2 3.98Å; T578-Y582 HydrophobicContact CG2-CE2 3.39Å; T578-Y582 WeakPolarHBondContact O-CD2 3.47Å; T578-Y582 PolarHBondContact O-N 3.26Å; T578-Y582 VanDerWaalsContact O-N 3.08Å; T578-M1993 WeakPolarHBondContact OG1-CE 3.09Å
579	Q	85	Confident	85.2	Confident	31 Å²	31	39.4 Å²	39.4	15%	0.145	20%	0.204	C	C	.	.	H	α-helix	trans	-63.6	-46.6	175.8	-168.4	51	39.6	0	0	112.4	A575 A576 T577 A581 Y582 D583 S1995 A1996	A575-Q579 PolarHBondContact O-N 2.86Å; A576-Q579 PolarHBondContact O-N 2.88Å; T577-Q579 VanDerWaalsContact C-N 3.35Å; T577-Q579 PolarHBondContact O-N 3.06Å; Q579-A581 PolarHBondContact O-N 3.37Å; Q579-Y582 PolarHBondContact O-N 3.01Å; Q579-Y582 VanDerWaalsContact O-N 3.11Å; Q579-D583 PolarHBondContact NE2-OD1 3.31Å; Q579-D583 VanDerWaalsContact O-CB 3.27Å; Q579-D583 WeakPolarHBondContact O-CB 3.02Å; Q579-D583 PolarHBondContact O-N 3.47Å; Q579-S1995 VanDerWaalsContact CB-CB 3.49Å; Q579-S1995 WeakPolarHBondContact CB-OG 3.24Å; Q579-S1995 PolarHBondContact OE1-OG 3.08Å; Q579-A1996 PolarHBondContact NE2-O 3.48Å; Q579-A1996 PolarHBondContact OE1-O 3.37Å; Q579-A1996 VanDerWaalsContact OE1-O 3.04Å
580	H	86.3	Confident	85.5	Confident	41 Å²	41	35.2 Å²	35.2	19%	0.19	18%	0.181	C	C	.	.	H	α-helix	trans	-62.4	-32.6	179.7	-175.8	58.9	0	0	0	112	A576 T577 T584 N602 V605	A576-H580 WeakPolarHBondContact O-CB 3.31Å; A576-H580 PolarHBondContact O-N 3.41Å; T577-H580 PolarHBondContact O-N 2.77Å; H580-T584 WeakPolarHBondContact O-CB 3.37Å; H580-T584 PolarHBondContact O-N 2.6Å; H580-T584 PolarHBondContact O-OG1 2.73Å; H580-N602 PolarHBondContact NE2-O 3.23Å; H580-V605 HydrophobicContact CB-CB 4.13Å; H580-V605 HydrophobicContact CB-CG1 3.73Å; H580-V605 HydrophobicContact CB-CG2 3.3Å
581	A	89.4	Confident	85.8	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-59.6	-56.9	168.3	0	0	0	0	0	110.9	Y542 L543 V546 T577 T578 Q579 D583 T584 L585	Y542-A581 HydrophobicContact CE1-CB 3.74Å; Y542-A581 WeakPolarHBondContact CE1-O 3.3Å; Y542-A581 PolarHBondContact OH-O 3.41Å; L543-A581 HydrophobicContact CD2-CB 3.61Å; V546-A581 HydrophobicContact CB-CB 4.32Å; V546-A581 HydrophobicContact CG1-CB 4.05Å; V546-A581 HydrophobicContact CG2-CB 4.28Å; T577-A581 PolarHBondContact O-N 3.49Å; T578-A581 WeakPolarHBondContact O-CB 3.19Å; T578-A581 PolarHBondContact O-N 3.07Å; Q579-A581 PolarHBondContact O-N 3.37Å; A581-D583 PolarHBondContact O-N 3.07Å; A581-T584 PolarHBondContact O-N 2.81Å; A581-L585 VanDerWaalsContact O-CB 3.3Å; A581-L585 WeakPolarHBondContact O-CB 3.49Å; A581-L585 PolarHBondContact O-N 3.46Å
582	Y	88.7	Confident	86.3	Confident	68 Å²	68	37.8 Å²	37.8	27%	0.267	20%	0.197	S	C	.	.	H	α-helix	trans	-59.3	-47.9	178.2	-62.8	-37.7	0	0	0	113.1	W481 L539 L543 T578 Q579 T584 L585 H586	W481-Y582 HydrophobicContact CE3-CD1 4.19Å; W481-Y582 HydrophobicContact CE3-CG 4.27Å; W481-Y582 AromaticContact CH2-CD1 3.74Å; W481-Y582 HydrophobicContact CH2-CD1 3.74Å; W481-Y582 HydrophobicContact CH2-CE1 4.22Å; W481-Y582 HydrophobicContact CZ2-CD1 4.48Å; W481-Y582 AromaticContact CZ3-CD1 3.58Å; W481-Y582 HydrophobicContact CZ3-CD1 3.58Å; W481-Y582 HydrophobicContact CZ3-CE1 4.47Å; W481-Y582 HydrophobicContact CZ3-CG 4.07Å; L539-Y582 HydrophobicContact CD1-CD1 4.43Å; L539-Y582 HydrophobicContact CD1-CE1 4.1Å; L539-Y582 HydrophobicContact CD2-CE1 4.36Å; L543-Y582 HydrophobicContact CD1-CE1 4.05Å; L543-Y582 HydrophobicContact CD2-CD1 4.37Å; L543-Y582 HydrophobicContact CD2-CE1 3.96Å; L543-Y582 HydrophobicContact CG-CE1 4.41Å; T578-Y582 HydrophobicContact CG2-CD2 3.98Å; T578-Y582 HydrophobicContact CG2-CE2 3.39Å; T578-Y582 WeakPolarHBondContact O-CD2 3.47Å; T578-Y582 PolarHBondContact O-N 3.26Å; T578-Y582 VanDerWaalsContact O-N 3.08Å; Q579-Y582 PolarHBondContact O-N 3.01Å; Q579-Y582 VanDerWaalsContact O-N 3.11Å; Y582-T584 VanDerWaalsContact C-N 3.28Å; Y582-T584 PolarHBondContact O-N 3.22Å; Y582-L585 PolarHBondContact O-N 2.94Å; Y582-H586 WeakPolarHBondContact O-CB 3.42Å; Y582-H586 PolarHBondContact O-N 3.15Å
583	D	88.3	Confident	86.4	Confident	43 Å²	43	47.5 Å²	47.5	23%	0.23	23%	0.233	C	C	.	.	H	α-helix	trans	-55.2	-42.4	176.6	-111	66.3	0	0	0	111.8	V480 Q579 A581 K587	V480-D583 WeakPolarHBondContact CG1-OD1 3.16Å; Q579-D583 PolarHBondContact NE2-OD1 3.31Å; Q579-D583 VanDerWaalsContact O-CB 3.27Å; Q579-D583 WeakPolarHBondContact O-CB 3.02Å; Q579-D583 PolarHBondContact O-N 3.47Å; A581-D583 PolarHBondContact O-N 3.07Å; D583-K587 WeakPolarHBondContact O-CB 3.45Å; D583-K587 WeakPolarHBondContact O-CD 3.12Å; D583-K587 WeakPolarHBondContact O-CE 2.96Å; D583-K587 WeakPolarHBondContact O-CG 3.21Å; D583-K587 PolarHBondContact O-N 2.69Å; D583-K587 VanDerWaalsContact O-N 3.1Å; D583-K587 WeakPolarHBondContact OD2-CE 3.33Å; D583-K587 IonicContact OD2-NZ 3.9Å; D583-K587 PolarHBondContact OD2-NZ 2.94Å
584	T	88.5	Confident	86.7	Confident	7 Å²	7	47.1 Å²	47.1	4%	0.043	23%	0.231	C	C	.	.	H	α-helix	trans	-79.8	-39	-177.3	-57.2	0	0	0	0	111.2	H580 A581 Y582 H586 K587 C588 A595 A598 I599	H580-T584 WeakPolarHBondContact O-CB 3.37Å; H580-T584 PolarHBondContact O-N 2.6Å; H580-T584 PolarHBondContact O-OG1 2.73Å; A581-T584 PolarHBondContact O-N 2.81Å; Y582-T584 VanDerWaalsContact C-N 3.28Å; Y582-T584 PolarHBondContact O-N 3.22Å; T584-H586 VanDerWaalsContact C-N 3.3Å; T584-H586 PolarHBondContact O-N 3Å; T584-K587 PolarHBondContact O-N 2.82Å; T584-C588 VanDerWaalsContact O-CB 3.28Å; T584-C588 WeakPolarHBondContact O-CB 3.25Å; T584-C588 PolarHBondContact O-N 3.19Å; T584-C588 PolarHBondContact O-SG 3.26Å; T584-C588 VanDerWaalsContact O-SG 3.35Å; T584-A595 HydrophobicContact CG2-CB 4.41Å; T584-A598 HydrophobicContact CG2-CB 3.6Å; T584-I599 HydrophobicContact CG2-CD1 4.35Å; T584-I599 HydrophobicContact CG2-CG1 3.95Å
585	L	89.5	Confident	87.1	Confident	1 Å²	1	46 Å²	46	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-58.5	-43.4	172	-166.5	65.5	0	0	0	111	W481 L486 L539 Y542 A581 Y582 C588 N589 Y590 L592 A595	W481-L585 HydrophobicContact CH2-CD2 3.88Å; W481-L585 HydrophobicContact CZ3-CB 4.45Å; W481-L585 HydrophobicContact CZ3-CD2 3.93Å; L486-L585 HydrophobicContact CD2-CD2 4.13Å; L539-L585 HydrophobicContact CD1-CD2 3.84Å; Y542-L585 HydrophobicContact CD1-CD1 4.36Å; Y542-L585 HydrophobicContact CD1-CD2 4.04Å; Y542-L585 HydrophobicContact CE1-CB 3.81Å; Y542-L585 HydrophobicContact CE1-CD1 4.12Å; Y542-L585 HydrophobicContact CE1-CD2 4Å; Y542-L585 HydrophobicContact CE1-CG 4.19Å; Y542-L585 HydrophobicContact CE2-CD1 4.48Å; A581-L585 VanDerWaalsContact O-CB 3.3Å; A581-L585 WeakPolarHBondContact O-CB 3.49Å; A581-L585 PolarHBondContact O-N 3.46Å; Y582-L585 PolarHBondContact O-N 2.94Å; L585-C588 CarbonylContact O-C 3.57Å; L585-C588 PolarHBondContact O-N 2.9Å; L585-N589 PolarHBondContact O-N 2.88Å; L585-Y590 HydrophobicContact CD2-CD1 4.13Å; L585-Y590 HydrophobicContact CG-CD1 3.9Å; L585-Y590 WeakPolarHBondContact O-CA 3.27Å; L585-Y590 PolarHBondContact O-N 3.06Å; L585-L592 HydrophobicContact CD1-CG 4.46Å; L585-A595 HydrophobicContact CD1-CB 3.89Å
586	H	88.6	Confident	87.3	Confident	40 Å²	40	48.5 Å²	48.5	19%	0.185	24%	0.237	C	C	.	.	H	α-helix	trans	-61.7	-49	173.5	-172.3	61.3	0	0	0	112.5	L479 V480 S482 Y582 T584 C588 N589 Y590	L479-H586 PolarHBondContact O-NE2 2.82Å; V480-H586 VanDerWaalsContact O-CB 3.23Å; V480-H586 WeakPolarHBondContact O-CB 3.17Å; V480-H586 VanDerWaalsContact O-CG 3.26Å; S482-H586 PolarHBondContact OG-CE1 2.84Å; Y582-H586 WeakPolarHBondContact O-CB 3.42Å; Y582-H586 PolarHBondContact O-N 3.15Å; T584-H586 VanDerWaalsContact C-N 3.3Å; T584-H586 PolarHBondContact O-N 3Å; H586-C588 PolarHBondContact O-N 2.9Å; H586-N589 PolarHBondContact O-N 3.33Å; H586-Y590 AromaticContact ND1-CE2 3.88Å; H586-Y590 AromaticContact ND1-CZ 3.53Å; H586-Y590 PolarHBondContact ND1-OH 2.83Å
587	K	88.3	Confident	87.7	Confident	130 Å²	130	53.2 Å²	53.2	57%	0.565	26%	0.255	S	S	*	.	H	α-helix	trans	-61.5	-28	177.5	-70.8	158.2	-156.8	161.7	0	113.1	D583 T584 N589	D583-K587 WeakPolarHBondContact O-CB 3.45Å; D583-K587 WeakPolarHBondContact O-CD 3.12Å; D583-K587 WeakPolarHBondContact O-CE 2.96Å; D583-K587 WeakPolarHBondContact O-CG 3.21Å; D583-K587 PolarHBondContact O-N 2.69Å; D583-K587 VanDerWaalsContact O-N 3.1Å; D583-K587 WeakPolarHBondContact OD2-CE 3.33Å; D583-K587 IonicContact OD2-NZ 3.9Å; D583-K587 PolarHBondContact OD2-NZ 2.94Å; T584-K587 PolarHBondContact O-N 2.82Å; K587-N589 VanDerWaalsContact C-N 3.32Å
588	C	88.2	Confident	87.7	Confident	22 Å²	22	55 Å²	55	15%	0.149	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	13.3	177.2	-70.2	0	0	0	0	113.8	T584 L585 H586 Y590 S591 N594 A595	T584-C588 VanDerWaalsContact O-CB 3.28Å; T584-C588 WeakPolarHBondContact O-CB 3.25Å; T584-C588 PolarHBondContact O-N 3.19Å; T584-C588 PolarHBondContact O-SG 3.26Å; T584-C588 VanDerWaalsContact O-SG 3.35Å; L585-C588 CarbonylContact O-C 3.57Å; L585-C588 PolarHBondContact O-N 2.9Å; H586-C588 PolarHBondContact O-N 2.9Å; C588-Y590 VanDerWaalsContact C-N 3.26Å; C588-Y590 PolarHBondContact O-N 3.19Å; C588-S591 WeakPolarHBondContact O-CB 3.24Å; C588-S591 PolarHBondContact O-N 3.36Å; C588-S591 VanDerWaalsContact O-N 3.16Å; C588-N594 HydrophobicContact CB-CB 3.93Å; C588-N594 VanDerWaalsContact SG-C 3.58Å; C588-A595 HydrophobicContact CB-CB 3.98Å
589	N	86.4	Confident	87.6	Confident	140 Å²	140	54.3 Å²	54.3	75%	0.749	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	43.1	-175.9	-59.6	-39.2	0	0	0	112.5	L585 H586 K587 S591	L585-N589 PolarHBondContact O-N 2.88Å; H586-N589 PolarHBondContact O-N 3.33Å; K587-N589 VanDerWaalsContact C-N 3.32Å; N589-S591 PolarHBondContact O-N 3.27Å; N589-S591 VanDerWaalsContact O-N 3.07Å
590	Y	86.7	Confident	87.6	Confident	13 Å²	13	55.8 Å²	55.8	5%	0.051	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	11.8	-179.4	-52.8	-82.7	0	0	0	115.7	W481 S482 G485 L486 A489 L585 H586 C588 L592	W481-Y590 HydrophobicContact CD2-CE1 4.47Å; W481-Y590 HydrophobicContact CE3-CE1 4.01Å; W481-Y590 HydrophobicContact CH2-CE1 4.2Å; W481-Y590 AromaticContact CZ3-CE1 3.87Å; W481-Y590 HydrophobicContact CZ3-CE1 3.87Å; S482-Y590 WeakPolarHBondContact CA-OH 3.2Å; S482-Y590 WeakPolarHBondContact CB-OH 3.29Å; S482-Y590 PolarHBondContact N-OH 3.46Å; S482-Y590 PolarHBondContact OG-OH 3.45Å; G485-Y590 VanDerWaalsContact C-CG 3.43Å; G485-Y590 VanDerWaalsContact CA-CD2 3.45Å; G485-Y590 VanDerWaalsContact CA-CE2 3.42Å; G485-Y590 WeakPolarHBondContact O-CB 3.4Å; G485-Y590 WeakPolarHBondContact O-CD2 3.48Å; G485-Y590 VanDerWaalsContact O-CG 3.27Å; L486-Y590 HydrophobicContact CD2-CD1 4.48Å; L486-Y590 HydrophobicContact CG-CD1 4.25Å; A489-Y590 WeakPolarHBondContact CB-O 3.31Å; L585-Y590 HydrophobicContact CD2-CD1 4.13Å; L585-Y590 HydrophobicContact CG-CD1 3.9Å; L585-Y590 WeakPolarHBondContact O-CA 3.27Å; L585-Y590 PolarHBondContact O-N 3.06Å; H586-Y590 AromaticContact ND1-CE2 3.88Å; H586-Y590 AromaticContact ND1-CZ 3.53Å; H586-Y590 PolarHBondContact ND1-OH 2.83Å; C588-Y590 VanDerWaalsContact C-N 3.26Å; C588-Y590 PolarHBondContact O-N 3.19Å; Y590-L592 PolarHBondContact O-N 3.4Å
591	S	85.8	Confident	87.1	Confident	44 Å²	44	58.9 Å²	58.9	31%	0.308	30%	0.304	S	S	.	.			trans	-76.2	102.3	170.9	-176.1	0	0	0	0	110.7	C588 N589 R593 N594 A595	C588-S591 WeakPolarHBondContact O-CB 3.24Å; C588-S591 PolarHBondContact O-N 3.36Å; C588-S591 VanDerWaalsContact O-N 3.16Å; N589-S591 PolarHBondContact O-N 3.27Å; N589-S591 VanDerWaalsContact O-N 3.07Å; S591-R593 PolarHBondContact O-N 2.79Å; S591-N594 PolarHBondContact O-N 2.8Å; S591-N594 VanDerWaalsContact O-N 3.11Å; S591-N594 PolarHBondContact OG-ND2 3.17Å; S591-A595 PolarHBondContact O-N 3.47Å
592	L	86.8	Confident	86.3	Confident	50 Å²	50	63 Å²	63	26%	0.262	33%	0.327	S	S	.	.	H	α-helix	trans	-51.3	-42.8	179.9	-75.4	77.4	0	0	0	112.1	P538 L585 Y590 N594 A595 L596	P538-L592 HydrophobicContact CB-CD2 4.27Å; L585-L592 HydrophobicContact CD1-CG 4.46Å; Y590-L592 PolarHBondContact O-N 3.4Å; L592-N594 PolarHBondContact O-N 3.1Å; L592-A595 PolarHBondContact O-N 2.83Å; L592-L596 WeakPolarHBondContact O-CB 3.42Å; L592-L596 WeakPolarHBondContact O-CG 3.37Å; L592-L596 PolarHBondContact O-N 2.8Å
593	R	86.4	Confident	85.6	Confident	207 Å²	207	60.3 Å²	60.3	78%	0.781	32%	0.318	S	S	*	.	H	α-helix	trans	-57.9	-47.7	179	-176.4	179.2	-177.9	174.8	3	112.4	S591 A595 Q597	S591-R593 PolarHBondContact O-N 2.79Å; R593-A595 VanDerWaalsContact C-N 3.33Å; R593-Q597 PolarHBondContact O-N 2.88Å; R593-Q597 VanDerWaalsContact O-N 3.13Å
594	N	88.2	Confident	84.4	Confident	79 Å²	79	61.5 Å²	61.5	42%	0.422	32%	0.323	S	S	.	.	H	α-helix	trans	-69.7	-35.2	179.3	-65.9	-16.7	0	0	0	111.1	C588 S591 L592 Q597 A598	C588-N594 HydrophobicContact CB-CB 3.93Å; C588-N594 VanDerWaalsContact SG-C 3.58Å; S591-N594 PolarHBondContact O-N 2.8Å; S591-N594 VanDerWaalsContact O-N 3.11Å; S591-N594 PolarHBondContact OG-ND2 3.17Å; L592-N594 PolarHBondContact O-N 3.1Å; N594-Q597 PolarHBondContact O-N 3.35Å; N594-A598 WeakPolarHBondContact O-CB 3.29Å; N594-A598 PolarHBondContact O-N 2.68Å
595	A	88.6	Confident	83	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-69.5	-43.3	179.9	0	0	0	0	0	112.4	Y542 T584 L585 C588 S591 L592 R593 A598 I599	Y542-A595 HydrophobicContact CE2-CB 3.66Å; T584-A595 HydrophobicContact CG2-CB 4.41Å; L585-A595 HydrophobicContact CD1-CB 3.89Å; C588-A595 HydrophobicContact CB-CB 3.98Å; S591-A595 PolarHBondContact O-N 3.47Å; L592-A595 PolarHBondContact O-N 2.83Å; R593-A595 VanDerWaalsContact C-N 3.33Å; A595-A598 PolarHBondContact O-N 2.81Å; A595-I599 WeakPolarHBondContact O-CG1 3.14Å; A595-I599 PolarHBondContact O-N 2.77Å
596	L	88.6	Confident	81.4	Confident	60 Å²	60	64.8 Å²	64.8	31%	0.314	35%	0.349	S	S	.	.	H	α-helix	trans	-62.4	-43.4	172.7	-69.3	170.2	0	0	0	111.2	Y542 A545 V546 M549 L592 A598 I599 S600	Y542-L596 HydrophobicContact CD2-CD2 3.82Å; Y542-L596 HydrophobicContact CD2-CG 4.04Å; Y542-L596 HydrophobicContact CE2-CD2 3.99Å; Y542-L596 HydrophobicContact CE2-CG 4.17Å; A545-L596 HydrophobicContact CB-CD2 4.02Å; V546-L596 HydrophobicContact CG2-CD2 4.43Å; M549-L596 HydrophobicContact CE-CD2 3.7Å; L592-L596 WeakPolarHBondContact O-CB 3.42Å; L592-L596 WeakPolarHBondContact O-CG 3.37Å; L592-L596 PolarHBondContact O-N 2.8Å; L596-A598 PolarHBondContact O-N 2.63Å; L596-I599 PolarHBondContact O-N 3.27Å; L596-S600 PolarHBondContact O-N 2.79Å
597	Q	88	Confident	79.8	Confident	124 Å²	124	70.4 Å²	70.4	58%	0.579	37%	0.373	S	S	*	.	H	α-helix	trans	-60.6	-45.4	175.5	-172.1	176.3	7.3	0	0	111.6	R593 N594 I599 S600 C601	R593-Q597 PolarHBondContact O-N 2.88Å; R593-Q597 VanDerWaalsContact O-N 3.13Å; N594-Q597 PolarHBondContact O-N 3.35Å; Q597-I599 VanDerWaalsContact C-N 3.32Å; Q597-I599 PolarHBondContact O-N 3.39Å; Q597-S600 PolarHBondContact O-N 2.95Å; Q597-S600 PolarHBondContact O-OG 3.02Å; Q597-C601 PolarHBondContact O-N 2.81Å
598	A	86.6	Confident	78.1	Confident	41 Å²	41	70.2 Å²	70.2	34%	0.339	38%	0.378	S	S	.	.	H	α-helix	trans	-62.5	-35.9	177.8	0	0	0	0	0	113.2	T584 N594 A595 L596	T584-A598 HydrophobicContact CG2-CB 3.6Å; N594-A598 WeakPolarHBondContact O-CB 3.29Å; N594-A598 PolarHBondContact O-N 2.68Å; A595-A598 PolarHBondContact O-N 2.81Å; L596-A598 PolarHBondContact O-N 2.63Å
599	I	86.5	Confident	76.5	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-74.8	-36.5	176.4	-68.3	175.8	0	0	0	111.5	Y542 V546 M549 T584 A595 L596 Q597 C601 N602 P603	Y542-I599 HydrophobicContact CE2-CD1 4.38Å; Y542-I599 WeakPolarHBondContact OH-CD1 3.24Å; V546-I599 HydrophobicContact CB-CD1 4.39Å; V546-I599 HydrophobicContact CG1-CD1 4Å; V546-I599 HydrophobicContact CG1-CG2 4.3Å; V546-I599 HydrophobicContact CG2-CD1 3.41Å; V546-I599 VanDerWaalsContact CG2-CD1 3.41Å; V546-I599 HydrophobicContact CG2-CG2 4.4Å; M549-I599 HydrophobicContact CE-CB 4.31Å; M549-I599 HydrophobicContact CE-CG2 3.84Å; T584-I599 HydrophobicContact CG2-CD1 4.35Å; T584-I599 HydrophobicContact CG2-CG1 3.95Å; A595-I599 WeakPolarHBondContact O-CG1 3.14Å; A595-I599 PolarHBondContact O-N 2.77Å; L596-I599 PolarHBondContact O-N 3.27Å; Q597-I599 VanDerWaalsContact C-N 3.32Å; Q597-I599 PolarHBondContact O-N 3.39Å; I599-C601 PolarHBondContact O-N 3.31Å; I599-C601 VanDerWaalsContact O-N 3.17Å; I599-N602 CarbonylContact O-C 3.45Å; I599-N602 PolarHBondContact O-N 3.48Å; I599-P603 WeakPolarHBondContact O-CA 3.47Å
600	S	84.3	Confident	74.9	Confident	61 Å²	61	64.1 Å²	64.1	43%	0.427	35%	0.346	S	S	.	.	H	α-helix	trans	-58.4	-30.8	176.3	74.8	0	0	0	0	113.1	L596 Q597	L596-S600 PolarHBondContact O-N 2.79Å; Q597-S600 PolarHBondContact O-N 2.95Å; Q597-S600 PolarHBondContact O-OG 3.02Å
601	C	77.7	Confident	73.4	Confident	106 Å²	106	68.2 Å²	68.2	72%	0.716	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-18.5	175.3	-61.4	0	0	0	0	114.7	Q597 I599	Q597-C601 PolarHBondContact O-N 2.81Å; I599-C601 PolarHBondContact O-N 3.31Å; I599-C601 VanDerWaalsContact O-N 3.17Å
602	N	72.7	Confident	72.2	Confident	87 Å²	87	69.6 Å²	69.6	47%	0.465	36%	0.362	S	S	.	.			trans	-155.9	81.6	176.1	-176.4	55.1	0	0	0	111	H580 I599	H580-N602 PolarHBondContact NE2-O 3.23Å; I599-N602 CarbonylContact O-C 3.45Å; I599-N602 PolarHBondContact O-N 3.48Å
603	P	72	Confident	71.5	Confident	12 Å²	12	68.2 Å²	68.2	8%	0.078	35%	0.354	C	S	.	.			trans	-76.3	-33.6	-172.9	27.6	-34.1	0	0	0	112.7	V550 F553 I599	V550-P603 HydrophobicContact CG2-CB 4.45Å; V550-P603 WeakPolarHBondContact CG2-O 3.41Å; F553-P603 HydrophobicContact CB-CB 4.38Å; F553-P603 HydrophobicContact CB-CG 4.04Å; F553-P603 HydrophobicContact CD1-CG 3.69Å; F553-P603 HydrophobicContact CD2-CB 3.73Å; F553-P603 HydrophobicContact CD2-CG 3.47Å; F553-P603 VanDerWaalsContact CD2-CG 3.47Å; F553-P603 HydrophobicContact CE1-CG 3.93Å; F553-P603 HydrophobicContact CE2-CB 4.16Å; F553-P603 HydrophobicContact CE2-CG 3.72Å; F553-P603 HydrophobicContact CG-CB 4.04Å; F553-P603 HydrophobicContact CG-CG 3.44Å; F553-P603 VanDerWaalsContact CG-CG 3.44Å; F553-P603 HydrophobicContact CZ-CG 3.94Å; I599-P603 WeakPolarHBondContact O-CA 3.47Å
604	I	64.8	Low	71	Confident	67 Å²	67	61.3 Å²	61.3	34%	0.344	34%	0.335	S	S	.	.	S	Bend	trans	-84	125.6	-173.8	-62.2	173.9	0	0	0	111	A606	I604-A606 PolarHBondContact O-N 3.46Å
605	V	59.3	Low	70.5	Confident	21 Å²	21	60.8 Å²	60.8	13%	0.127	34%	0.335	C	S	.	.			trans	-84.2	102.2	-174.2	-168.4	0	0	0	0	112.6	A576 H580 T609	A576-V605 HydrophobicContact CB-CB 3.86Å; A576-V605 HydrophobicContact CB-CG1 3.75Å; A576-V605 WeakPolarHBondContact O-CG1 3.47Å; H580-V605 HydrophobicContact CB-CB 4.13Å; H580-V605 HydrophobicContact CB-CG1 3.73Å; H580-V605 HydrophobicContact CB-CG2 3.3Å; V605-T609 WeakPolarHBondContact O-CG2 3.36Å; V605-T609 PolarHBondContact O-OG1 3.16Å; V605-T609 VanDerWaalsContact O-OG1 3.06Å
606	A	55.4	Low	70.2	Confident	57 Å²	57	66 Å²	66	47%	0.471	36%	0.362	S	S	.	.			trans	57.3	156.6	164.2	0	0	0	0	0	116.7	I604 D608 T609 H612	I604-A606 PolarHBondContact O-N 3.46Å; A606-D608 PolarHBondContact O-N 3.05Å; A606-T609 PolarHBondContact O-OG1 2.68Å; A606-H612 PolarHBondContact O-CE1 3.1Å; A606-H612 PolarHBondContact O-ND1 2.85Å
607	K	55.6	Low	70	Confident	158 Å²	158	63.8 Å²	63.8	69%	0.687	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	2.5	-179.3	-61.9	-176	179.5	-177.2	0	114.1	H612	K607-H612 VanDerWaalsContact O-CB 3.29Å; K607-H612 WeakPolarHBondContact O-CB 3.17Å
608	D	50.8	Low	70	Confident	125 Å²	125	59.2 Å²	59.2	67%	0.668	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	-11.8	-171.1	-56.7	5.5	0	0	0	111.6	A606	A606-D608 PolarHBondContact O-N 3.05Å
609	T	54.9	Low	70.1	Confident	8 Å²	8	62 Å²	62	5%	0.049	33%	0.332	C	S	.	.	S	Bend	trans	-64.7	142	173.2	35.5	0	0	0	0	110.9	A576 V605 A606 R611 H612	A576-T609 HydrophobicContact CB-CG2 3.5Å; V605-T609 WeakPolarHBondContact O-CG2 3.36Å; V605-T609 PolarHBondContact O-OG1 3.16Å; V605-T609 VanDerWaalsContact O-OG1 3.06Å; A606-T609 PolarHBondContact O-OG1 2.68Å; T609-R611 PolarHBondContact O-N 3.34Å; T609-H612 WeakPolarHBondContact O-CB 3.34Å; T609-H612 PolarHBondContact O-N 3.03Å; T609-H612 PolarHBondContact O-ND1 3.23Å; T609-H612 VanDerWaalsContact O-ND1 3.08Å; T609-H612 PolarHBondContact OG1-CE1 2.88Å; T609-H612 VanDerWaalsContact OG1-CE1 3.25Å; T609-H612 PolarHBondContact OG1-ND1 3.08Å; T609-H612 VanDerWaalsContact OG1-ND1 3.12Å
610	P	52.9	Low	70.2	Confident	26 Å²	26	65.2 Å²	65.2	17%	0.169	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-65.5	-9.3	-167.1	23.7	-33.5	0	0	0	115.5	L574 H612 W613 F793 Y796	L574-P610 HydrophobicContact CD1-CG 4.03Å; L574-P610 HydrophobicContact CD2-CG 4.06Å; P610-H612 PolarHBondContact O-N 3.18Å; P610-W613 PolarHBondContact O-N 2.84Å; P610-F793 HydrophobicContact CB-CD2 4.18Å; P610-Y796 HydrophobicContact CB-CD1 3.75Å; P610-Y796 HydrophobicContact CB-CE1 3.81Å; P610-Y796 HydrophobicContact CB-CG 4.17Å; P610-Y796 HydrophobicContact CG-CD1 3.99Å; P610-Y796 HydrophobicContact CG-CD2 3.99Å; P610-Y796 HydrophobicContact CG-CE1 3.88Å; P610-Y796 HydrophobicContact CG-CE2 3.88Å; P610-Y796 HydrophobicContact CG-CG 4.05Å
611	R	55.3	Low	70.5	Confident	100 Å²	100	62.4 Å²	62.4	38%	0.377	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-63.8	-23.5	166.7	-82.3	-151	-177.7	-70.9	-32.7	114.3	N567 L571 T609 W613	N567-R611 VanDerWaalsContact C-NH2 3.33Å; N567-R611 VanDerWaalsContact CG-NH2 3.32Å; N567-R611 PolarHBondContact O-NH2 2.82Å; N567-R611 PolarHBondContact OD1-NH1 2.92Å; N567-R611 PolarHBondContact OD1-NH2 2.78Å; L571-R611 VanDerWaalsContact CD1-NE 3.35Å; L571-R611 HydrophobicContact CD2-CG 4.07Å; L571-R611 HydrophobicContact CG-CG 4.48Å; T609-R611 PolarHBondContact O-N 3.34Å; R611-W613 PolarHBondContact O-N 3.32Å
612	H	61.2	Low	71.1	Confident	72 Å²	72	58.6 Å²	58.6	33%	0.333	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-74.2	19.6	177.6	-64.1	90.9	0	0	0	113.1	A606 K607 T609 P610 K785	A606-H612 PolarHBondContact O-CE1 3.1Å; A606-H612 PolarHBondContact O-ND1 2.85Å; K607-H612 VanDerWaalsContact O-CB 3.29Å; K607-H612 WeakPolarHBondContact O-CB 3.17Å; T609-H612 WeakPolarHBondContact O-CB 3.34Å; T609-H612 PolarHBondContact O-N 3.03Å; T609-H612 PolarHBondContact O-ND1 3.23Å; T609-H612 VanDerWaalsContact O-ND1 3.08Å; T609-H612 PolarHBondContact OG1-CE1 2.88Å; T609-H612 VanDerWaalsContact OG1-CE1 3.25Å; T609-H612 PolarHBondContact OG1-ND1 3.08Å; T609-H612 VanDerWaalsContact OG1-ND1 3.12Å; P610-H612 PolarHBondContact O-N 3.18Å; H612-K785 PolarHBondContact O-NZ 3.04Å
613	W	71	Confident	71.9	Confident	22 Å²	22	58.7 Å²	58.7	8%	0.083	30%	0.303	C	S	.	.	S	Bend	trans	-106.8	113.7	172.9	-74.4	65.1	0	0	0	108.8	P610 R611 Q617 V618 F621 F640 K785 E789 L790 F793	P610-W613 PolarHBondContact O-N 2.84Å; R611-W613 PolarHBondContact O-N 3.32Å; W613-Q617 HydrophobicContact CE3-CB 4.12Å; W613-V618 HydrophobicContact CB-CG2 3.91Å; W613-F621 HydrophobicContact CH2-CD2 4.09Å; W613-F621 HydrophobicContact CH2-CE2 4.35Å; W613-F621 HydrophobicContact CH2-CG 4.29Å; W613-F621 HydrophobicContact CZ3-CB 3.89Å; W613-F621 HydrophobicContact CZ3-CD1 4.43Å; W613-F621 HydrophobicContact CZ3-CD2 4.02Å; W613-F621 AromaticContact CZ3-CG 3.87Å; W613-F621 HydrophobicContact CZ3-CG 3.87Å; W613-F640 HydrophobicContact CZ3-CE1 4.08Å; W613-F640 HydrophobicContact CZ3-CZ 4.13Å; W613-K785 HydrophobicContact CZ2-CD 4.23Å; W613-K785 HydrophobicContact CZ2-CG 4.4Å; W613-E789 HydrophobicContact CZ2-CB 4.48Å; W613-L790 HydrophobicContact CH2-CD2 3.52Å; W613-L790 HydrophobicContact CZ2-CD2 4.19Å; W613-L790 HydrophobicContact CZ3-CD2 4.38Å; W613-F793 HydrophobicContact CB-CE2 4.17Å; W613-F793 AromaticContact CD1-CD2 3.95Å; W613-F793 HydrophobicContact CD2-CB 4.38Å; W613-F793 HydrophobicContact CD2-CD1 4.3Å; W613-F793 AromaticContact CD2-CD2 3.61Å; W613-F793 HydrophobicContact CD2-CD2 3.61Å; W613-F793 AromaticContact CD2-CE2 3.94Å; W613-F793 HydrophobicContact CD2-CE2 3.94Å; W613-F793 AromaticContact CD2-CG 3.82Å; W613-F793 HydrophobicContact CD2-CG 3.82Å; W613-F793 HydrophobicContact CD2-CZ 4.44Å; W613-F793 AromaticContact CE2-CD2 3.64Å; W613-F793 AromaticContact CE2-CG 3.64Å; W613-F793 AromaticContact CE3-CD1 3.95Å; W613-F793 HydrophobicContact CE3-CD1 3.95Å; W613-F793 HydrophobicContact CE3-CD2 4.06Å; W613-F793 HydrophobicContact CE3-CE1 4.1Å; W613-F793 HydrophobicContact CE3-CE2 4.2Å; W613-F793 AromaticContact CE3-CG 3.95Å; W613-F793 HydrophobicContact CE3-CG 3.95Å; W613-F793 HydrophobicContact CE3-CZ 4.24Å; W613-F793 AromaticContact CG-CD2 3.84Å; W613-F793 HydrophobicContact CG-CD2 3.84Å; W613-F793 AromaticContact CG-CE2 3.94Å; W613-F793 HydrophobicContact CG-CE2 3.94Å; W613-F793 HydrophobicContact CH2-CB 3.58Å; W613-F793 AromaticContact CH2-CD1 3.78Å; W613-F793 HydrophobicContact CH2-CD1 3.78Å; W613-F793 HydrophobicContact CH2-CD2 4.45Å; W613-F793 AromaticContact CH2-CG 3.67Å; W613-F793 HydrophobicContact CH2-CG 3.67Å; W613-F793 HydrophobicContact CZ2-CB 3.25Å; W613-F793 HydrophobicContact CZ2-CD1 4.2Å; W613-F793 HydrophobicContact CZ2-CD2 4.1Å; W613-F793 AromaticContact CZ2-CG 3.59Å; W613-F793 HydrophobicContact CZ2-CG 3.59Å; W613-F793 HydrophobicContact CZ3-CB 4.3Å; W613-F793 AromaticContact CZ3-CD1 3.67Å; W613-F793 HydrophobicContact CZ3-CD1 3.67Å; W613-F793 HydrophobicContact CZ3-CD2 4.45Å; W613-F793 HydrophobicContact CZ3-CE1 4.13Å; W613-F793 AromaticContact CZ3-CG 3.87Å; W613-F793 HydrophobicContact CZ3-CG 3.87Å; W613-F793 AromaticContact NE1-CD2 3.86Å
614	T	77.2	Confident	72.8	Confident	62 Å²	62	58.1 Å²	58.1	38%	0.38	30%	0.3	S	S	.	.			trans	-63.6	153.9	175.1	65.8	0	0	0	0	110.4	D616 Q617 V618	T614-D616 PolarHBondContact O-N 3.39Å; T614-D616 VanDerWaalsContact O-N 3.1Å; T614-Q617 WeakPolarHBondContact O-CA 3.1Å; T614-Q617 WeakPolarHBondContact O-CB 3.27Å; T614-Q617 PolarHBondContact O-N 2.92Å; T614-Q617 VanDerWaalsContact OG1-CG 3.3Å; T614-Q617 WeakPolarHBondContact OG1-CG 3.4Å; T614-Q617 PolarHBondContact OG1-N 3.48Å; T614-Q617 VanDerWaalsContact OG1-N 3.13Å; T614-V618 PolarHBondContact O-N 2.96Å
615	T	78.1	Confident	74	Confident	68 Å²	68	56.4 Å²	56.4	42%	0.417	29%	0.291	S	S	.	.	H	α-helix	trans	-52.9	-35.9	177.2	-46	0	0	0	0	111.6	V618 R619 V835	T615-V618 PolarHBondContact O-N 3.41Å; T615-R619 WeakPolarHBondContact O-CB 3.4Å; T615-R619 VanDerWaalsContact O-CG 3.24Å; T615-R619 WeakPolarHBondContact O-CG 3.48Å; T615-R619 PolarHBondContact O-N 3.33Å; T615-V835 HydrophobicContact CG2-CG1 4.08Å
616	D	81.1	Confident	75.5	Confident	108 Å²	108	64.4 Å²	64.4	58%	0.578	32%	0.319	S	S	*	.	H	α-helix	trans	-69.5	-41.1	174.6	-62	-33.6	0	0	0	112.8	T614 V618 R619 L620	T614-D616 PolarHBondContact O-N 3.39Å; T614-D616 VanDerWaalsContact O-N 3.1Å; D616-V618 VanDerWaalsContact C-N 3.29Å; D616-V618 PolarHBondContact O-N 3.04Å; D616-R619 PolarHBondContact O-N 2.8Å; D616-R619 IonicContact OD1-NH1 2.7Å; D616-L620 WeakPolarHBondContact O-CB 3.5Å; D616-L620 PolarHBondContact O-N 2.99Å
617	Q	85.8	Confident	77.2	Confident	15 Å²	15	64.7 Å²	64.7	7%	0.07	31%	0.312	C	S	.	.	H	α-helix	trans	-60.2	-38.4	171.4	-75.2	170	12.7	0	0	111.9	W613 T614 F621 F640 E782	W613-Q617 HydrophobicContact CE3-CB 4.12Å; T614-Q617 WeakPolarHBondContact O-CA 3.1Å; T614-Q617 WeakPolarHBondContact O-CB 3.27Å; T614-Q617 PolarHBondContact O-N 2.92Å; T614-Q617 VanDerWaalsContact OG1-CG 3.3Å; T614-Q617 WeakPolarHBondContact OG1-CG 3.4Å; T614-Q617 PolarHBondContact OG1-N 3.48Å; T614-Q617 VanDerWaalsContact OG1-N 3.13Å; Q617-F621 WeakPolarHBondContact O-CB 3.21Å; Q617-F621 PolarHBondContact O-N 3.42Å; Q617-F640 HydrophobicContact CB-CE1 4.01Å; Q617-F640 HydrophobicContact CG-CE1 4.15Å; Q617-F640 WeakPolarHBondContact O-CZ 2.97Å; Q617-E782 PolarHBondContact NE2-OE1 3.35Å; Q617-E782 PolarHBondContact NE2-OE2 3.17Å
618	V	87.1	Confident	78.7	Confident	28 Å²	28	57.3 Å²	57.3	17%	0.17	28%	0.28	C	S	.	.	H	α-helix	trans	-67.6	-45.9	175.9	-179.6	0	0	0	0	111.4	W613 T614 T615 D616 L620 F621 A622 F793	W613-V618 HydrophobicContact CB-CG2 3.91Å; T614-V618 PolarHBondContact O-N 2.96Å; T615-V618 PolarHBondContact O-N 3.41Å; D616-V618 VanDerWaalsContact C-N 3.29Å; D616-V618 PolarHBondContact O-N 3.04Å; V618-L620 PolarHBondContact O-N 3.37Å; V618-F621 WeakPolarHBondContact O-CB 3.4Å; V618-F621 PolarHBondContact O-N 3.13Å; V618-A622 PolarHBondContact O-N 2.85Å; V618-F793 HydrophobicContact CB-CZ 4.31Å; V618-F793 HydrophobicContact CG1-CE1 4.28Å; V618-F793 HydrophobicContact CG1-CZ 3.94Å; V618-F793 HydrophobicContact CG2-CE1 4.4Å; V618-F793 HydrophobicContact CG2-CE2 4.21Å; V618-F793 HydrophobicContact CG2-CZ 3.63Å
619	R	87.8	Confident	80.6	Confident	98 Å²	98	51.7 Å²	51.7	37%	0.37	25%	0.251	S	S	.	.	H	α-helix	trans	-59.9	-45.1	175.1	-73.2	166.4	176	172.2	-2.8	111.3	T615 D616 F621 A622 H623 V835 T839	T615-R619 WeakPolarHBondContact O-CB 3.4Å; T615-R619 VanDerWaalsContact O-CG 3.24Å; T615-R619 WeakPolarHBondContact O-CG 3.48Å; T615-R619 PolarHBondContact O-N 3.33Å; D616-R619 PolarHBondContact O-N 2.8Å; D616-R619 IonicContact OD1-NH1 2.7Å; R619-F621 VanDerWaalsContact C-N 3.31Å; R619-F621 PolarHBondContact O-N 2.9Å; R619-A622 PolarHBondContact O-N 2.8Å; R619-H623 WeakPolarHBondContact O-CB 3.41Å; R619-H623 PolarHBondContact O-N 2.73Å; R619-V835 PolarHBondContact NH2-O 3.15Å; R619-T839 PolarHBondContact NH2-OG1 2.97Å
620	L	89.1	Confident	82.2	Confident	68 Å²	68	58 Å²	58	36%	0.356	28%	0.278	S	S	.	.	H	α-helix	trans	-64	-34.7	177.3	-163	71.8	0	0	0	111.8	D616 V618 A624 F639 F640	D616-L620 WeakPolarHBondContact O-CB 3.5Å; D616-L620 PolarHBondContact O-N 2.99Å; V618-L620 PolarHBondContact O-N 3.37Å; L620-A624 VanDerWaalsContact O-CB 3.22Å; L620-A624 WeakPolarHBondContact O-CB 3.3Å; L620-A624 PolarHBondContact O-N 2.81Å; L620-F639 HydrophobicContact CD1-CD1 3.74Å; L620-F639 HydrophobicContact CD1-CE1 4.41Å; L620-F639 HydrophobicContact CD2-CB 4.21Å; L620-F639 VanDerWaalsContact CD2-O 3.27Å; L620-F639 WeakPolarHBondContact CD2-O 3.49Å; L620-F639 HydrophobicContact CG-CB 4.07Å; L620-F639 HydrophobicContact CG-CD1 3.84Å; L620-F639 HydrophobicContact CG-CG 4.41Å; L620-F640 HydrophobicContact CB-CZ 4.27Å; L620-F640 HydrophobicContact CD2-CE1 4.46Å; L620-F640 HydrophobicContact CD2-CZ 4.35Å; L620-F640 HydrophobicContact CG-CZ 4.47Å
621	F	91.8	Very high	84	Confident	2 Å²	2	58.7 Å²	58.7	1%	0.009	28%	0.28	C	S	.	.	H	α-helix	trans	-71.3	-44.7	174.7	-168.8	-113.2	0	0	0	112.7	W613 Q617 V618 R619 H623 A624 L625 F632 I635 F640 L790 F793	W613-F621 HydrophobicContact CH2-CD2 4.09Å; W613-F621 HydrophobicContact CH2-CE2 4.35Å; W613-F621 HydrophobicContact CH2-CG 4.29Å; W613-F621 HydrophobicContact CZ3-CB 3.89Å; W613-F621 HydrophobicContact CZ3-CD1 4.43Å; W613-F621 HydrophobicContact CZ3-CD2 4.02Å; W613-F621 AromaticContact CZ3-CG 3.87Å; W613-F621 HydrophobicContact CZ3-CG 3.87Å; Q617-F621 WeakPolarHBondContact O-CB 3.21Å; Q617-F621 PolarHBondContact O-N 3.42Å; V618-F621 WeakPolarHBondContact O-CB 3.4Å; V618-F621 PolarHBondContact O-N 3.13Å; R619-F621 VanDerWaalsContact C-N 3.31Å; R619-F621 PolarHBondContact O-N 2.9Å; F621-H623 VanDerWaalsContact C-N 3.27Å; F621-H623 PolarHBondContact O-N 2.85Å; F621-A624 WeakPolarHBondContact O-CB 3.43Å; F621-A624 PolarHBondContact O-N 3.08Å; F621-L625 HydrophobicContact CD1-CD1 3.74Å; F621-L625 HydrophobicContact CD1-CG 4.26Å; F621-L625 HydrophobicContact CE1-CD1 3.52Å; F621-L625 HydrophobicContact CE1-CD2 4.48Å; F621-L625 HydrophobicContact CE1-CG 4.06Å; F621-L625 HydrophobicContact CZ-CD1 4.17Å; F621-L625 HydrophobicContact CZ-CD2 4.34Å; F621-L625 HydrophobicContact CZ-CG 4.27Å; F621-L625 WeakPolarHBondContact O-CB 3.38Å; F621-L625 WeakPolarHBondContact O-CG 3.43Å; F621-L625 PolarHBondContact O-N 3.29Å; F621-F632 HydrophobicContact CE2-CD1 4.49Å; F621-F632 HydrophobicContact CZ-CD1 4.4Å; F621-F632 HydrophobicContact CZ-CE1 4.06Å; F621-I635 HydrophobicContact CD2-CG2 3.93Å; F621-I635 HydrophobicContact CE2-CD1 4.31Å; F621-I635 HydrophobicContact CE2-CG2 3.97Å; F621-F640 HydrophobicContact CB-CE2 4.19Å; F621-F640 HydrophobicContact CB-CZ 3.77Å; F621-F640 AromaticContact CD2-CE2 3.8Å; F621-F640 HydrophobicContact CD2-CE2 3.8Å; F621-F640 HydrophobicContact CD2-CZ 4.08Å; F621-F640 HydrophobicContact CG-CZ 4.42Å; F621-L790 HydrophobicContact CD2-CD2 4.08Å; F621-L790 HydrophobicContact CE2-CB 3.96Å; F621-L790 HydrophobicContact CE2-CD2 3.92Å; F621-L790 HydrophobicContact CE2-CG 4.38Å; F621-L790 HydrophobicContact CZ-CB 4.48Å; F621-L790 VanDerWaalsContact CZ-O 3.28Å; F621-L790 WeakPolarHBondContact CZ-O 3.43Å; F621-F793 AromaticContact CD1-CD1 3.56Å; F621-F793 HydrophobicContact CD1-CD1 3.56Å; F621-F793 AromaticContact CD1-CE1 3.8Å; F621-F793 HydrophobicContact CD1-CE1 3.8Å; F621-F793 AromaticContact CE1-CD1 3.66Å; F621-F793 HydrophobicContact CE1-CD1 3.66Å; F621-F793 HydrophobicContact CE1-CE1 4.29Å; F621-F793 HydrophobicContact CG-CD1 4.27Å; F621-F793 HydrophobicContact CZ-CD1 4.48Å
622	A	89.5	Confident	85.7	Confident	27 Å²	27	55.1 Å²	55.1	22%	0.223	27%	0.267	C	S	.	.	H	α-helix	trans	-61.1	-38.5	175	0	0	0	0	0	111.4	V618 R619 R626	V618-A622 PolarHBondContact O-N 2.85Å; R619-A622 PolarHBondContact O-N 2.8Å; A622-R626 WeakPolarHBondContact O-CG 3.23Å; A622-R626 PolarHBondContact O-N 3.31Å
623	H	89.5	Confident	87	Confident	89 Å²	89	58.8 Å²	58.8	41%	0.412	28%	0.283	S	S	.	.	H	α-helix	trans	-64.7	-46.2	171.6	-174.4	-97.1	0	0	0	112.1	R619 F621 L625 R626 I627 F639	R619-H623 WeakPolarHBondContact O-CB 3.41Å; R619-H623 PolarHBondContact O-N 2.73Å; F621-H623 VanDerWaalsContact C-N 3.27Å; F621-H623 PolarHBondContact O-N 2.85Å; H623-L625 VanDerWaalsContact C-N 3.3Å; H623-L625 PolarHBondContact O-N 3.36Å; H623-R626 WeakPolarHBondContact O-CB 3.45Å; H623-R626 PolarHBondContact O-N 2.91Å; H623-I627 WeakPolarHBondContact CE1-CD1 3.07Å; H623-I627 PolarHBondContact O-N 3.06Å; H623-F639 AromaticContact ND1-CE1 3.39Å; H623-F639 WeakPolarHBondContact ND1-CE1 3.26Å; H623-F639 AromaticContact ND1-CZ 3.73Å
624	A	90.4	Very high	87.8	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-62	-34.9	176.9	0	0	0	0	0	113.3	L620 F621 R626 I627 H628 G629 I635 F639	L620-A624 VanDerWaalsContact O-CB 3.22Å; L620-A624 WeakPolarHBondContact O-CB 3.3Å; L620-A624 PolarHBondContact O-N 2.81Å; F621-A624 WeakPolarHBondContact O-CB 3.43Å; F621-A624 PolarHBondContact O-N 3.08Å; A624-R626 VanDerWaalsContact C-N 3.33Å; A624-I627 PolarHBondContact O-N 3.4Å; A624-H628 WeakPolarHBondContact O-CA 3.18Å; A624-H628 PolarHBondContact O-N 3.49Å; A624-G629 PolarHBondContact O-N 3.36Å; A624-I635 HydrophobicContact CB-CB 4.22Å; A624-I635 HydrophobicContact CB-CD1 3.82Å; A624-I635 HydrophobicContact CB-CG1 3.79Å; A624-I635 HydrophobicContact CB-CG2 3.67Å; A624-F639 HydrophobicContact CB-CB 4.03Å; A624-F639 HydrophobicContact CB-CD1 4.17Å; A624-F639 HydrophobicContact CB-CD2 3.24Å; A624-F639 HydrophobicContact CB-CE2 3.65Å; A624-F639 HydrophobicContact CB-CG 3.53Å; A624-F639 HydrophobicContact CB-CZ 4.28Å
625	L	91	Very high	88.4	Confident	30 Å²	30	57.4 Å²	57.4	16%	0.157	27%	0.272	C	S	.	.	H	α-helix	trans	-69.7	-25.2	173.5	-76.4	173.5	0	0	0	113.2	F621 H623 G629 F632 I635 Y794 W797	F621-L625 HydrophobicContact CD1-CD1 3.74Å; F621-L625 HydrophobicContact CD1-CG 4.26Å; F621-L625 HydrophobicContact CE1-CD1 3.52Å; F621-L625 HydrophobicContact CE1-CD2 4.48Å; F621-L625 HydrophobicContact CE1-CG 4.06Å; F621-L625 HydrophobicContact CZ-CD1 4.17Å; F621-L625 HydrophobicContact CZ-CD2 4.34Å; F621-L625 HydrophobicContact CZ-CG 4.27Å; F621-L625 WeakPolarHBondContact O-CB 3.38Å; F621-L625 WeakPolarHBondContact O-CG 3.43Å; F621-L625 PolarHBondContact O-N 3.29Å; H623-L625 VanDerWaalsContact C-N 3.3Å; H623-L625 PolarHBondContact O-N 3.36Å; L625-G629 WeakPolarHBondContact O-CA 3.33Å; L625-G629 PolarHBondContact O-N 3.45Å; L625-F632 HydrophobicContact CD2-CE1 4.33Å; L625-I635 HydrophobicContact CD2-CD1 3.8Å; L625-I635 HydrophobicContact CG-CD1 4.07Å; L625-Y794 HydrophobicContact CD1-CD2 3.99Å; L625-Y794 HydrophobicContact CD1-CE2 4.41Å; L625-Y794 HydrophobicContact CD2-CD2 4.04Å; L625-Y794 HydrophobicContact CD2-CE2 4.33Å; L625-W797 HydrophobicContact CD1-CE3 4.39Å; L625-W797 HydrophobicContact CD1-CZ3 4.22Å
626	R	90.9	Very high	88.9	Confident	189 Å²	189	56.4 Å²	56.4	71%	0.713	26%	0.263	S	S	*	.	H	α-helix	trans	-71.4	-46.6	172.2	-69	169	-172.5	161.9	2.5	110.6	A622 H623 A624	A622-R626 WeakPolarHBondContact O-CG 3.23Å; A622-R626 PolarHBondContact O-N 3.31Å; H623-R626 WeakPolarHBondContact O-CB 3.45Å; H623-R626 PolarHBondContact O-N 2.91Å; A624-R626 VanDerWaalsContact C-N 3.33Å
627	I	89.4	Confident	89.2	Confident	63 Å²	63	61 Å²	61	32%	0.323	27%	0.272	S	S	.	.	H	α-helix	trans	-80.7	-63.7	-175.9	-55.3	171.7	0	0	0	111.4	H623 A624 F639 R1746	H623-I627 WeakPolarHBondContact CE1-CD1 3.07Å; H623-I627 PolarHBondContact O-N 3.06Å; A624-I627 PolarHBondContact O-N 3.4Å; I627-F639 HydrophobicContact CD1-CZ 4.09Å; I627-R1746 PolarHBondContact O-NH1 2.9Å
628	H	88.5	Confident	89.2	Confident	4 Å²	4	63.3 Å²	63.3	2%	0.019	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-10.9	-176	-55.8	-23.3	0	0	0	113.8	A624 D631 K634 I635 N638 F639 S1744 T1745 R1746	A624-H628 WeakPolarHBondContact O-CA 3.18Å; A624-H628 PolarHBondContact O-N 3.49Å; H628-D631 WeakPolarHBondContact O-CB 3.4Å; H628-D631 PolarHBondContact O-N 2.96Å; H628-K634 HydrophobicContact CB-CB 3.94Å; H628-K634 PolarHBondContact CD2-O 3.06Å; H628-I635 HydrophobicContact CB-CG1 3.84Å; H628-N638 PolarHBondContact NE2-ND2 3.43Å; H628-N638 VanDerWaalsContact NE2-ND2 3.15Å; H628-F639 AromaticContact CD2-CD2 3.95Å; H628-F639 AromaticContact CD2-CE2 3.57Å; H628-F639 AromaticContact NE2-CE2 3.51Å; H628-S1744 PolarHBondContact CE1-O 2.9Å; H628-S1744 PolarHBondContact ND1-O 3.25Å; H628-T1745 PolarHBondContact CE1-OG1 3.14Å; H628-T1745 PolarHBondContact ND1-OG1 2.94Å; H628-R1746 WeakPolarHBondContact O-CD 3.36Å; H628-R1746 PolarHBondContact O-NE 3.02Å; H628-R1746 VanDerWaalsContact O-NE 3.08Å; H628-R1746 PolarHBondContact O-NH1 2.9Å
629	G	89.7	Confident	89.1	Confident	6 Å²	6	64.2 Å²	64.2	6%	0.062	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	-140.9	176.8	0	0	0	0	0	113.6	A624 L625 D631 I635	A624-G629 PolarHBondContact O-N 3.36Å; L625-G629 WeakPolarHBondContact O-CA 3.33Å; L625-G629 PolarHBondContact O-N 3.45Å; G629-D631 PolarHBondContact O-N 3.22Å; G629-I635 WeakPolarHBondContact O-CD1 3.46Å
630	K	90.2	Very high	88.9	Confident	142 Å²	142	60.2 Å²	60.2	62%	0.617	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	9.3	-178.1	-57.2	-179.3	-174.8	175.3	0	114.4	F632 Y794	K630-F632 VanDerWaalsContact C-N 3.31Å; K630-F632 HydrophobicContact CB-CE2 4.09Å; K630-F632 HydrophobicContact CB-CZ 4.35Å; K630-F632 WeakPolarHBondContact O-CD2 3.12Å; K630-F632 WeakPolarHBondContact O-CE2 3.49Å; K630-F632 PolarHBondContact O-N 3.11Å; K630-F632 VanDerWaalsContact O-N 3.09Å; K630-Y794 WeakPolarHBondContact CE-OH 3.3Å
631	D	89.8	Confident	87.9	Confident	40 Å²	40	58.8 Å²	58.8	21%	0.214	27%	0.274	C	S	.	.			trans	-82.8	78.6	170.8	-165.8	-35.2	0	0	0	110.1	H628 G629 F633 K634 I635	H628-D631 WeakPolarHBondContact O-CB 3.4Å; H628-D631 PolarHBondContact O-N 2.96Å; G629-D631 PolarHBondContact O-N 3.22Å; D631-F633 PolarHBondContact O-N 3.09Å; D631-F633 PolarHBondContact OD1-N 3.49Å; D631-K634 HydrophobicContact CB-CB 4.04Å; D631-K634 HydrophobicContact CB-CD 4.19Å; D631-K634 HydrophobicContact CB-CG 4.27Å; D631-K634 VanDerWaalsContact CG-CG 3.44Å; D631-K634 WeakPolarHBondContact O-CB 3.09Å; D631-K634 PolarHBondContact O-N 3.29Å; D631-K634 VanDerWaalsContact O-N 3.1Å; D631-K634 WeakPolarHBondContact OD1-CB 3.08Å; D631-K634 WeakPolarHBondContact OD1-CG 3.32Å; D631-K634 PolarHBondContact OD1-N 3.48Å; D631-K634 WeakPolarHBondContact OD2-CD 3.26Å; D631-K634 WeakPolarHBondContact OD2-CE 3.21Å; D631-K634 WeakPolarHBondContact OD2-CG 3.23Å; D631-K634 IonicContact OD2-NZ 2.69Å; D631-K634 PolarHBondContact OD2-NZ 2.89Å; D631-I635 PolarHBondContact O-N 2.94Å
632	F	90.7	Very high	86	Confident	25 Å²	25	60.8 Å²	60.8	11%	0.11	30%	0.295	C	S	.	.	H	α-helix	trans	-64.6	-21.4	-175.1	-59.3	-74.4	0	0	0	113.4	F621 L625 K630 Q636 V787 L790 I791 Y794	F621-F632 HydrophobicContact CE2-CD1 4.49Å; F621-F632 HydrophobicContact CZ-CD1 4.4Å; F621-F632 HydrophobicContact CZ-CE1 4.06Å; L625-F632 HydrophobicContact CD2-CE1 4.33Å; K630-F632 VanDerWaalsContact C-N 3.31Å; K630-F632 HydrophobicContact CB-CE2 4.09Å; K630-F632 HydrophobicContact CB-CZ 4.35Å; K630-F632 WeakPolarHBondContact O-CD2 3.12Å; K630-F632 WeakPolarHBondContact O-CE2 3.49Å; K630-F632 PolarHBondContact O-N 3.11Å; K630-F632 VanDerWaalsContact O-N 3.09Å; F632-Q636 VanDerWaalsContact O-CB 3.3Å; F632-Q636 WeakPolarHBondContact O-CB 3.49Å; F632-Q636 PolarHBondContact O-N 2.88Å; F632-V787 HydrophobicContact CB-CG1 3.76Å; F632-L790 HydrophobicContact CD1-CB 4.07Å; F632-L790 WeakPolarHBondContact O-CD1 3.43Å; F632-I791 HydrophobicContact CB-CG1 4.14Å; F632-I791 HydrophobicContact CD1-CG1 4.13Å; F632-I791 HydrophobicContact CD2-CD1 4Å; F632-I791 HydrophobicContact CD2-CG1 3.43Å; F632-I791 VanDerWaalsContact CD2-CG1 3.43Å; F632-I791 HydrophobicContact CE1-CG1 4.42Å; F632-I791 HydrophobicContact CE2-CG1 3.78Å; F632-I791 HydrophobicContact CG-CD1 4.36Å; F632-I791 HydrophobicContact CG-CG1 3.62Å; F632-I791 HydrophobicContact CZ-CG1 4.26Å; F632-Y794 HydrophobicContact CE1-CG 4.05Å; F632-Y794 AromaticContact CZ-CD1 3.89Å; F632-Y794 HydrophobicContact CZ-CD1 3.89Å; F632-Y794 HydrophobicContact CZ-CD2 4.41Å; F632-Y794 AromaticContact CZ-CG 3.8Å; F632-Y794 HydrophobicContact CZ-CG 3.8Å
633	F	88.8	Confident	83.6	Confident	149 Å²	149	66.1 Å²	66.1	65%	0.654	31%	0.313	S	S	*	.	H	α-helix	trans	-70.9	-44.5	171.8	-68.7	-83.7	0	0	0	111.3	D631 Q636 R637 V787	D631-F633 PolarHBondContact O-N 3.09Å; D631-F633 PolarHBondContact OD1-N 3.49Å; F633-Q636 PolarHBondContact O-N 3.35Å; F633-R637 WeakPolarHBondContact O-CB 2.99Å; F633-R637 PolarHBondContact O-N 3.49Å; F633-V787 HydrophobicContact CD1-CG2 3.79Å; F633-V787 HydrophobicContact CE1-CG1 4.39Å; F633-V787 HydrophobicContact CE1-CG2 3.91Å; F633-V787 HydrophobicContact CE2-CG1 4.37Å; F633-V787 HydrophobicContact CG-CG2 4.4Å; F633-V787 HydrophobicContact CZ-CG1 4.3Å
634	K	87.8	Confident	81	Confident	55 Å²	55	66.1 Å²	66.1	24%	0.239	32%	0.319	C	S	.	.	H	α-helix	trans	-62.4	-44	172.8	-74.7	-173.7	-179.9	103.7	0	111.6	H628 D631 R637 N638 R1746	H628-K634 HydrophobicContact CB-CB 3.94Å; H628-K634 PolarHBondContact CD2-O 3.06Å; D631-K634 HydrophobicContact CB-CB 4.04Å; D631-K634 HydrophobicContact CB-CD 4.19Å; D631-K634 HydrophobicContact CB-CG 4.27Å; D631-K634 VanDerWaalsContact CG-CG 3.44Å; D631-K634 WeakPolarHBondContact O-CB 3.09Å; D631-K634 PolarHBondContact O-N 3.29Å; D631-K634 VanDerWaalsContact O-N 3.1Å; D631-K634 WeakPolarHBondContact OD1-CB 3.08Å; D631-K634 WeakPolarHBondContact OD1-CG 3.32Å; D631-K634 PolarHBondContact OD1-N 3.48Å; D631-K634 WeakPolarHBondContact OD2-CD 3.26Å; D631-K634 WeakPolarHBondContact OD2-CE 3.21Å; D631-K634 WeakPolarHBondContact OD2-CG 3.23Å; D631-K634 IonicContact OD2-NZ 2.69Å; D631-K634 PolarHBondContact OD2-NZ 2.89Å; K634-R637 PolarHBondContact O-N 3.48Å; K634-N638 WeakPolarHBondContact O-CB 3.29Å; K634-N638 PolarHBondContact O-N 3.08Å; K634-R1746 HydrophobicContact CD-CB 4.34Å
635	I	90.4	Very high	78.2	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-58.3	-49	172.9	-66.1	-168.9	0	0	0	111.1	F621 A624 L625 H628 G629 D631 R637 N638 F639 F640 L790	F621-I635 HydrophobicContact CD2-CG2 3.93Å; F621-I635 HydrophobicContact CE2-CD1 4.31Å; F621-I635 HydrophobicContact CE2-CG2 3.97Å; A624-I635 HydrophobicContact CB-CB 4.22Å; A624-I635 HydrophobicContact CB-CD1 3.82Å; A624-I635 HydrophobicContact CB-CG1 3.79Å; A624-I635 HydrophobicContact CB-CG2 3.67Å; L625-I635 HydrophobicContact CD2-CD1 3.8Å; L625-I635 HydrophobicContact CG-CD1 4.07Å; H628-I635 HydrophobicContact CB-CG1 3.84Å; G629-I635 WeakPolarHBondContact O-CD1 3.46Å; D631-I635 PolarHBondContact O-N 2.94Å; I635-R637 VanDerWaalsContact C-N 3.34Å; I635-R637 PolarHBondContact O-N 3.1Å; I635-N638 PolarHBondContact O-N 3.21Å; I635-F639 WeakPolarHBondContact O-CB 3.1Å; I635-F639 PolarHBondContact O-N 3.39Å; I635-F640 HydrophobicContact CG2-CD2 3.71Å; I635-F640 HydrophobicContact CG2-CE2 3.72Å; I635-F640 PolarHBondContact O-N 2.94Å; I635-L790 HydrophobicContact CB-CD1 4.22Å; I635-L790 HydrophobicContact CG2-CD1 3.8Å
636	Q	88.1	Confident	75.2	Confident	47 Å²	47	72.9 Å²	72.9	22%	0.22	37%	0.366	C	S	.	.	H	α-helix	trans	-60.3	-44.9	-179.7	-157.1	-158.2	13.1	0	0	111.7	F632 F633 F640 G641 K785 V787 L790	F632-Q636 VanDerWaalsContact O-CB 3.3Å; F632-Q636 WeakPolarHBondContact O-CB 3.49Å; F632-Q636 PolarHBondContact O-N 2.88Å; F633-Q636 PolarHBondContact O-N 3.35Å; Q636-F640 CarbonylContact O-C 3.54Å; Q636-F640 PolarHBondContact O-N 3.37Å; Q636-G641 VanDerWaalsContact O-CA 3.23Å; Q636-G641 WeakPolarHBondContact O-CA 3.1Å; Q636-G641 PolarHBondContact O-N 2.93Å; Q636-K785 VanDerWaalsContact CG-O 3.22Å; Q636-K785 WeakPolarHBondContact CG-O 3.5Å; Q636-K785 PolarHBondContact NE2-O 2.77Å; Q636-V787 HydrophobicContact CB-CG2 4.21Å; Q636-V787 HydrophobicContact CG-CG2 4.42Å; Q636-V787 VanDerWaalsContact OE1-CG2 3.26Å; Q636-L790 HydrophobicContact CB-CD1 3.64Å; Q636-L790 HydrophobicContact CG-CD1 4.03Å
637	R	86.6	Confident	72.3	Confident	203 Å²	203	66.8 Å²	66.8	77%	0.766	35%	0.348	S	S	*	.	H	α-helix	trans	-66.4	-42.5	-177.1	-176.9	174.9	178.5	141.3	-4.2	112.7	F633 K634 I635	F633-R637 WeakPolarHBondContact O-CB 2.99Å; F633-R637 PolarHBondContact O-N 3.49Å; K634-R637 PolarHBondContact O-N 3.48Å; I635-R637 VanDerWaalsContact C-N 3.34Å; I635-R637 PolarHBondContact O-N 3.1Å
638	N	86.6	Confident	69.4	Low	65 Å²	65	65.1 Å²	65.1	35%	0.348	34%	0.34	S	S	.	.	H	α-helix	trans	-92.8	-36.4	-170.3	-76.7	33.8	0	0	0	113.7	H628 K634 I635 S1744	H628-N638 PolarHBondContact NE2-ND2 3.43Å; H628-N638 VanDerWaalsContact NE2-ND2 3.15Å; K634-N638 WeakPolarHBondContact O-CB 3.29Å; K634-N638 PolarHBondContact O-N 3.08Å; I635-N638 PolarHBondContact O-N 3.21Å; N638-S1744 WeakPolarHBondContact ND2-CB 3.38Å; N638-S1744 PolarHBondContact OD1-OG 2.92Å
639	F	84.5	Confident	66.5	Low	46 Å²	46	67.3 Å²	67.3	20%	0.202	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107	-40.7	-172.1	-68.4	-79.6	0	0	0	112.4	L620 H623 A624 I627 H628 I635	L620-F639 HydrophobicContact CD1-CD1 3.74Å; L620-F639 HydrophobicContact CD1-CE1 4.41Å; L620-F639 HydrophobicContact CD2-CB 4.21Å; L620-F639 VanDerWaalsContact CD2-O 3.27Å; L620-F639 WeakPolarHBondContact CD2-O 3.49Å; L620-F639 HydrophobicContact CG-CB 4.07Å; L620-F639 HydrophobicContact CG-CD1 3.84Å; L620-F639 HydrophobicContact CG-CG 4.41Å; H623-F639 AromaticContact ND1-CE1 3.39Å; H623-F639 WeakPolarHBondContact ND1-CE1 3.26Å; H623-F639 AromaticContact ND1-CZ 3.73Å; A624-F639 HydrophobicContact CB-CB 4.03Å; A624-F639 HydrophobicContact CB-CD1 4.17Å; A624-F639 HydrophobicContact CB-CD2 3.24Å; A624-F639 HydrophobicContact CB-CE2 3.65Å; A624-F639 HydrophobicContact CB-CG 3.53Å; A624-F639 HydrophobicContact CB-CZ 4.28Å; I627-F639 HydrophobicContact CD1-CZ 4.09Å; H628-F639 AromaticContact CD2-CD2 3.95Å; H628-F639 AromaticContact CD2-CE2 3.57Å; H628-F639 AromaticContact NE2-CE2 3.51Å; I635-F639 WeakPolarHBondContact O-CB 3.1Å; I635-F639 PolarHBondContact O-N 3.39Å
640	F	84.3	Confident	63.7	Low	14 Å²	14	69.4 Å²	69.4	6%	0.061	36%	0.361	C	S	.	.	S	Bend	trans	-103.2	12.7	-179.7	-59.4	-87.6	0	0	0	112.8	W613 Q617 L620 F621 I635 Q636 G642 I784 K785 L790	W613-F640 HydrophobicContact CZ3-CE1 4.08Å; W613-F640 HydrophobicContact CZ3-CZ 4.13Å; Q617-F640 HydrophobicContact CB-CE1 4.01Å; Q617-F640 HydrophobicContact CG-CE1 4.15Å; Q617-F640 WeakPolarHBondContact O-CZ 2.97Å; L620-F640 HydrophobicContact CB-CZ 4.27Å; L620-F640 HydrophobicContact CD2-CE1 4.46Å; L620-F640 HydrophobicContact CD2-CZ 4.35Å; L620-F640 HydrophobicContact CG-CZ 4.47Å; F621-F640 HydrophobicContact CB-CE2 4.19Å; F621-F640 HydrophobicContact CB-CZ 3.77Å; F621-F640 AromaticContact CD2-CE2 3.8Å; F621-F640 HydrophobicContact CD2-CE2 3.8Å; F621-F640 HydrophobicContact CD2-CZ 4.08Å; F621-F640 HydrophobicContact CG-CZ 4.42Å; I635-F640 HydrophobicContact CG2-CD2 3.71Å; I635-F640 HydrophobicContact CG2-CE2 3.72Å; I635-F640 PolarHBondContact O-N 2.94Å; Q636-F640 CarbonylContact O-C 3.54Å; Q636-F640 PolarHBondContact O-N 3.37Å; F640-G642 PolarHBondContact O-N 2.79Å; F640-I784 WeakPolarHBondContact O-CG2 3.16Å; F640-K785 HydrophobicContact CB-CB 4.16Å; F640-K785 HydrophobicContact CD1-CB 4.12Å; F640-K785 HydrophobicContact CD1-CG 3.69Å; F640-K785 HydrophobicContact CE1-CG 4.41Å; F640-K785 HydrophobicContact CG-CB 4.26Å; F640-K785 HydrophobicContact CG-CG 4.33Å; F640-L790 HydrophobicContact CD1-CD2 4.38Å; F640-L790 HydrophobicContact CD2-CD1 4.44Å; F640-L790 HydrophobicContact CD2-CD2 3.74Å; F640-L790 HydrophobicContact CE2-CD2 4.14Å; F640-L790 HydrophobicContact CG-CD2 3.9Å
641	G	68.3	Low	60.9	Low	39 Å²	39	68.1 Å²	68.1	40%	0.402	36%	0.361	S	S	.	.			trans	-76.5	56.3	-168.7	0	0	0	0	0	114.3	Q636 K643	Q636-G641 VanDerWaalsContact O-CA 3.23Å; Q636-G641 WeakPolarHBondContact O-CA 3.1Å; Q636-G641 PolarHBondContact O-N 2.93Å; G641-K643 VanDerWaalsContact C-N 3.26Å; G641-K643 PolarHBondContact O-N 2.89Å
642	G	51.7	Low	57.9	Low	44 Å²	44	72.2 Å²	72.2	45%	0.454	38%	0.383	S	S	.	.			trans	-62.4	65.3	-171.5	0	0	0	0	0	116.5	F640 T644	F640-G642 PolarHBondContact O-N 2.79Å; G642-T644 VanDerWaalsContact C-N 3.32Å; G642-T644 PolarHBondContact O-N 3.37Å
643	K	38.5	Very low	54.9	Low	138 Å²	138	77 Å²	77	60%	0.6	41%	0.41	S	S	*	.	S	Bend	trans	59.2	35.9	170.2	-62.3	172.6	-178.7	170.3	0	114.1	G641 V646	G641-K643 VanDerWaalsContact C-N 3.26Å; G641-K643 PolarHBondContact O-N 2.89Å; K643-V646 CarbonylContact O-C 3.57Å; K643-V646 WeakPolarHBondContact O-CA 3.1Å; K643-V646 PolarHBondContact O-N 3.43Å
644	T	35.2	Very low	51.9	Low	89 Å²	89	77.3 Å²	77.3	55%	0.546	42%	0.418	S	S	.	.			trans	-101	14.1	169.5	32.9	0	0	0	0	115.9	G642 V646 I784	G642-T644 VanDerWaalsContact C-N 3.32Å; G642-T644 PolarHBondContact O-N 3.37Å; T644-V646 PolarHBondContact O-N 3.15Å; T644-I784 HydrophobicContact CG2-CD1 3.49Å; T644-I784 VanDerWaalsContact CG2-CD1 3.49Å; T644-I784 HydrophobicContact CG2-CG1 4.5Å
645	S	31	Very low	49.1	Very low	107 Å²	107	82 Å²	82	75%	0.748	45%	0.446	S	S	*	.	S	Bend	trans	-77.1	27.6	138.2	-159.4	0	0	0	0	111.5
646	V	28.7	Very low	46.1	Very low	65 Å²	65	88.8 Å²	88.8	39%	0.394	48%	0.482	S	S	.	.			trans	58.1	151.5	177.5	-89.5	0	0	0	0	115.5	K643 T644 K896 P897	K643-V646 CarbonylContact O-C 3.57Å; K643-V646 WeakPolarHBondContact O-CA 3.1Å; K643-V646 PolarHBondContact O-N 3.43Å; T644-V646 PolarHBondContact O-N 3.15Å; V646-K896 VanDerWaalsContact CB-O 3.26Å; V646-K896 WeakPolarHBondContact CB-O 3.24Å; V646-P897 WeakPolarHBondContact O-CA 3.28Å; V646-P897 WeakPolarHBondContact O-CB 2.99Å
647	N	28.9	Very low	43.2	Very low	61 Å²	61	92 Å²	92	33%	0.326	51%	0.51	S	S	.	.			trans	174.8	70.3	163.6	-161	6.9	0	0	0	120.7	R895 K896 P897	N647-R895 VanDerWaalsContact O-CD 3.31Å; N647-R895 WeakPolarHBondContact O-CD 3.5Å; N647-R895 PolarHBondContact O-NH1 3.44Å; N647-K896 VanDerWaalsContact CA-CA 3.42Å; N647-K896 WeakPolarHBondContact OD1-CE 3.12Å; N647-K896 PolarHBondContact OD1-NZ 3.37Å; N647-K896 VanDerWaalsContact OD1-NZ 3.08Å; N647-P897 HydrophobicContact CB-CB 3.87Å; N647-P897 HydrophobicContact CB-CG 4.27Å; N647-P897 WeakPolarHBondContact OD1-CD 3.39Å
648	N	29.2	Very low	40.4	Very low	28 Å²	28	88.2 Å²	88.2	15%	0.15	51%	0.509	C	S	.	.			trans	172.6	149.9	146	-102.2	33.6	0	0	0	118.4	K894 K896	N648-K894 CarbonylContact C-O 3.42Å; N648-K894 WeakPolarHBondContact CA-O 3.38Å; N648-K894 HydrophobicContact CB-CD 4.47Å; N648-K894 PolarHBondContact N-O 3.26Å; N648-K894 VanDerWaalsContact N-O 3.17Å; N648-K894 CarbonylContact O-C 3.5Å; N648-K896 PolarHBondContact OD1-NZ 2.88Å
649	N	27.9	Very low	37.5	Very low	51 Å²	51	91.4 Å²	91.4	27%	0.273	53%	0.527	S	S	.	.	S	Bend	cis	-111.7	156.8	-16.7	-75.9	67.2	0	0	0	109.3	D651	N649-D651 PolarHBondContact ND2-O 2.87Å
650	N	29.5	Very low	34.9	Very low	50 Å²	50	95.2 Å²	95.2	27%	0.267	55%	0.549	S	S	.	.			cis	5.7	159.6	4.3	-57.8	30.5	0	0	0	120.3	N652 K896	N650-N652 VanDerWaalsContact C-N 3.29Å; N650-K896 HydrophobicContact CB-CD 3.82Å; N650-K896 PolarHBondContact O-NZ 3.23Å
651	D	31.7	Very low	32.2	Very low	114 Å²	114	102.1 Å²	102.1	61%	0.61	59%	0.587	S	S	*	*			trans	67.8	36	-171.1	-37.2	-48.6	0	0	0	111.1	N649 K896	N649-D651 PolarHBondContact ND2-O 2.87Å; D651-K896 IonicContact OD2-NZ 3.69Å; D651-K896 PolarHBondContact OD2-NZ 3.19Å
652	N	26.5	Very low	30.4	Very low	126 Å²	126	103.8 Å²	103.8	67%	0.674	60%	0.604	S	S	*	*	S	Bend		-121.3	132.9	119.4	-85.5	31.9	0	0	0	104.6	N650	N650-N652 VanDerWaalsContact C-N 3.29Å
653	N	27.6	Very low	29.2	Very low	125 Å²	125	108.9 Å²	108.9	67%	0.668	62%	0.621	S	S	*	*			cis	-132.4	151.5	-8.3	-74.1	-25.3	0	0	0	108.8
654	N	26.5	Very low	28.7	Very low	156 Å²	156	106.7 Å²	106.7	83%	0.834	62%	0.616	S	S	*	*			trans	-129.1	63.3	150	-146.4	21.1	0	0	0	109.6
655	N	29.2	Very low	28.3	Very low	153 Å²	153	106.1 Å²	106.1	82%	0.818	61%	0.612	S	S	*	*			trans	-129.2	95.5	150.9	-101.8	-6.5	0	0	0	105.6
656	N	27	Very low	28	Very low	143 Å²	143	106.7 Å²	106.7	77%	0.765	61%	0.607	S	S	*	*			trans	-79.6	152.4	165.6	-106.3	-20.5	0	0	0	108.8
657	S	27.3	Very low	27.9	Very low	116 Å²	116	110.4 Å²	110.4	81%	0.811	63%	0.629	S	S	*	*			trans	67	136.5	171.2	-58.1	0	0	0	0	115.5
658	T	27.2	Very low	27.7	Very low	122 Å²	122	114.9 Å²	114.9	75%	0.748	66%	0.658	S	S	*	*			cis	-128.1	157.2	19.7	40.2	0	0	0	0	115.1
659	N	26.8	Very low	27.5	Very low	133 Å²	133	116.4 Å²	116.4	71%	0.711	68%	0.68	S	S	*	*			trans	77.7	106.4	150.2	-69	8.8	0	0	0	121.6
660	N	29.1	Very low	27.3	Very low	126 Å²	126	119 Å²	119	67%	0.674	69%	0.694	S	S	*	*				105	99.7	125.2	-63	-4.1	0	0	0	119.8
661	N	28.9	Very low	27	Very low	159 Å²	159	126.3 Å²	126.3	85%	0.85	72%	0.718	S	S	*	*				60.5	123.2	128.3	-52.8	-13.5	0	0	0	119.2
662	G	29.4	Very low	26.6	Very low	74 Å²	74	126.3 Å²	126.3	76%	0.763	72%	0.718	S	S	*	*			trans	174.8	-3.8	171.3	0	0	0	0	0	120.2
663	N	27.9	Very low	26.7	Very low	151 Å²	151	122.9 Å²	122.9	81%	0.807	70%	0.704	S	S	*	*			trans	43.7	116.4	165.8	-69.1	-8.9	0	0	0	120.6
664	N	26.5	Very low	26.6	Very low	92 Å²	92	119 Å²	119	49%	0.492	69%	0.687	S	S	.	*				103.3	137.3	129.4	-124.2	-25.8	0	0	0	121.1	K726	N664-K726 WeakPolarHBondContact OD1-CD 3.34Å; N664-K726 WeakPolarHBondContact OD1-CE 3.46Å; N664-K726 PolarHBondContact OD1-NZ 3.29Å
665	V	26.9	Very low	26.6	Very low	77 Å²	77	115.3 Å²	115.3	47%	0.467	66%	0.664	S	S	.	*			trans	86.3	58.9	162.8	-147.9	0	0	0	0	120.2	K726	V665-K726 HydrophobicContact CG2-CD 4.32Å; V665-K726 HydrophobicContact CG2-CG 4.15Å
666	D	25	Very low	26.4	Very low	119 Å²	119	110.3 Å²	110.3	64%	0.636	64%	0.639	S	S	*	*				70.1	141.7	115.7	-52.1	-40.3	0	0	0	124	K726	D666-K726 WeakPolarHBondContact OD2-CE 2.87Å; D666-K726 IonicContact OD2-NZ 2.63Å; D666-K726 PolarHBondContact OD2-NZ 2.95Å
667	V	26.6	Very low	26.4	Very low	143 Å²	143	105.6 Å²	105.6	87%	0.867	62%	0.616	S	S	*	*			trans	77.6	58.3	163.7	-151	0	0	0	0	119.3
668	V	25.3	Very low	26.4	Very low	154 Å²	154	106.2 Å²	106.2	93%	0.933	61%	0.61	S	S	*	*			trans	-136.1	131.2	147.4	-179	0	0	0	0	110
669	G	23.9	Very low	26.4	Very low	60 Å²	60	103.5 Å²	103.5	62%	0.619	61%	0.606	S	S	*	*			trans	113.3	118.5	160.2	0	0	0	0	0	116.6
670	L	24.7	Very low	26.5	Very low	106 Å²	106	107.2 Å²	107.2	56%	0.555	61%	0.61	S	S	*	*			trans	47.4	126.9	149.9	-74.4	70.8	0	0	0	120.4
671	W	22.8	Very low	26.3	Very low	203 Å²	203	106.6 Å²	106.6	77%	0.769	61%	0.606	S	S	*	*			trans	62.6	137.4	133.8	-58.3	0.4	0	0	0	117.6
672	N	23.9	Very low	26.4	Very low	114 Å²	114	105.5 Å²	105.5	61%	0.61	59%	0.59	S	S	*	*			cis	-159.6	178.3	36.5	-143.1	-25.4	0	0	0	114.9
673	S	27.8	Very low	26.4	Very low	54 Å²	54	104.5 Å²	104.5	38%	0.378	58%	0.58	S	S	.	*			trans	-37.2	169	160.2	-41.9	0	0	0	0	116.4	C902	S673-C902 VanDerWaalsContact CA-O 3.23Å; S673-C902 WeakPolarHBondContact CA-O 3.36Å; S673-C902 PolarHBondContact OG-O 3.49Å
674	S	26.1	Very low	26.5	Very low	45 Å²	45	106.3 Å²	106.3	32%	0.315	58%	0.576	S	S	.	*			cis	-151.4	168.3	6.6	-146.4	0	0	0	0	109.2	V903 L904	S674-V903 CarbonylContact C-O 3.57Å; S674-L904 WeakPolarHBondContact O-CA 3.18Å
675	Q	26.1	Very low	26.4	Very low	78 Å²	78	105.3 Å²	105.3	36%	0.364	59%	0.587	S	S	.	*			cis	-154.7	170.3	12.5	-160.5	149.2	-64.2	0	0	109.3	V677 V903 N905 E914	Q675-V677 HydrophobicContact CB-CG2 4.31Å; Q675-V677 PolarHBondContact O-N 3.48Å; Q675-V677 VanDerWaalsContact O-N 3.17Å; Q675-V903 CarbonylContact C-O 3.59Å; Q675-V903 VanDerWaalsContact CA-O 3.26Å; Q675-V903 WeakPolarHBondContact CA-O 3.39Å; Q675-V903 PolarHBondContact N-O 3.28Å; Q675-N905 PolarHBondContact N-ND2 3.1Å; Q675-N905 WeakPolarHBondContact O-CA 3.46Å; Q675-N905 VanDerWaalsContact O-CB 3.24Å; Q675-N905 WeakPolarHBondContact O-CB 3.07Å; Q675-N905 PolarHBondContact O-N 2.75Å; Q675-N905 PolarHBondContact O-ND2 3.45Å; Q675-E914 VanDerWaalsContact NE2-CD 3.33Å; Q675-E914 PolarHBondContact NE2-OE1 3.41Å; Q675-E914 PolarHBondContact NE2-OE2 2.8Å
676	V	26	Very low	26.4	Very low	48 Å²	48	112.9 Å²	112.9	29%	0.291	61%	0.607	S	S	.	*			trans	-1.1	-89.2	-175	-165.5	0	0	0	0	116.6	N678	V676-N678 WeakPolarHBondContact CG1-OD1 3.16Å
677	V	26.6	Very low	26.2	Very low	44 Å²	44	118.3 Å²	118.3	27%	0.267	62%	0.619	S	S	.	*			cis	-124.2	90	-31.2	179.4	0	0	0	0	108.2	Q675 N905	Q675-V677 HydrophobicContact CB-CG2 4.31Å; Q675-V677 PolarHBondContact O-N 3.48Å; Q675-V677 VanDerWaalsContact O-N 3.17Å; V677-N905 WeakPolarHBondContact CB-OD1 3.08Å; V677-N905 VanDerWaalsContact CG2-OD1 3.27Å; V677-N905 WeakPolarHBondContact CG2-OD1 3.44Å
678	N	27.4	Very low	26.2	Very low	128 Å²	128	119.8 Å²	119.8	68%	0.684	61%	0.613	S	S	*	*			trans	45.3	114	143.6	-56.4	-25.6	0	0	0	120.3	V676	V676-N678 WeakPolarHBondContact CG1-OD1 3.16Å
679	G	27.2	Very low	26.2	Very low	66 Å²	66	118.7 Å²	118.7	68%	0.68	60%	0.602	S	S	*	*			trans	-144	60	171.3	0	0	0	0	0	113.5	L681	G679-L681 PolarHBondContact O-N 3.04Å
680	R	27.4	Very low	26.2	Very low	211 Å²	211	119.2 Å²	119.2	80%	0.796	61%	0.607	S	S	*	*			trans	-72.5	56.3	-174.1	-159.7	-176.6	-165.2	-176.4	7.7	113.4	R682	R680-R682 WeakPolarHBondContact O-CD 3.2Å; R680-R682 WeakPolarHBondContact O-CG 2.95Å
681	L	26	Very low	26.3	Very low	112 Å²	112	117.8 Å²	117.8	59%	0.586	62%	0.618	S	S	*	*			trans	-110.2	130.7	-178.3	-63.8	-167.1	0	0	0	110.1	G679	G679-L681 PolarHBondContact O-N 3.04Å
682	R	31.8	Very low	26.5	Very low	136 Å²	136	112.3 Å²	112.3	51%	0.513	62%	0.616	S	S	.	*			cis	64	109	13.2	-47.8	179.6	168.7	-176.1	-5	113.6	R680 G1793 A1794	R680-R682 WeakPolarHBondContact O-CD 3.2Å; R680-R682 WeakPolarHBondContact O-CG 2.95Å; R682-G1793 CarbonylContact C-O 3.58Å; R682-G1793 PolarHBondContact O-N 3.4Å; R682-A1794 HydrophobicContact CB-CB 3.38Å; R682-A1794 HydrophobicContact CG-CB 3.85Å
683	G	28.1	Very low	26.6	Very low	54 Å²	54	114.6 Å²	114.6	56%	0.557	63%	0.628	S	S	*	*			cis	142	-144.4	-3	0	0	0	0	0	111.6	G1793	G683-G1793 CarbonylContact C-O 3.31Å; G683-G1793 VanDerWaalsContact CA-O 3.29Å; G683-G1793 WeakPolarHBondContact CA-O 3.27Å; G683-G1793 PolarHBondContact N-O 2.76Å
684	R	29.4	Very low	26.5	Very low	189 Å²	189	116 Å²	116	71%	0.713	64%	0.642	S	S	*	*			trans	50.5	178.6	-179.7	-92.3	171.7	-176.1	-170.5	-0	114.5	G1793 A1794 P1795	R684-G1793 WeakPolarHBondContact CB-O 3.19Å; R684-G1793 PolarHBondContact N-O 2.98Å; R684-A1794 HydrophobicContact CG-CB 4.47Å; R684-A1794 PolarHBondContact NE-O 3.22Å; R684-P1795 PolarHBondContact NE-O 3.28Å; R684-P1795 VanDerWaalsContact NE-O 3.08Å; R684-P1795 PolarHBondContact NH2-O 2.77Å
685	G	25	Very low	26.6	Very low	70 Å²	70	120.4 Å²	120.4	72%	0.722	67%	0.667	S	S	*	*			trans	86.1	121.2	-174.4	0	0	0	0	0	111.8
686	R	27.1	Very low	26.6	Very low	236 Å²	236	120.1 Å²	120.1	89%	0.891	69%	0.686	S	S	*	*			cis	58	78.7	32.7	-76.2	-169.8	170.5	-162.8	-0.1	114.8
687	R	21.9	Very low	26.7	Very low	233 Å²	233	123.3 Å²	123.3	88%	0.879	71%	0.705	S	S	*	*				-164.7	133.6	114.4	-96.6	156.8	-88	-161.4	1.3	107
688	K	25.5	Very low	26.6	Very low	175 Å²	175	125.9 Å²	125.9	76%	0.761	72%	0.724	S	S	*	*			cis	78.4	121.3	43	-165.1	-160.8	179.7	-167.1	0	110.5
689	L	24.5	Very low	26.6	Very low	131 Å²	131	124.2 Å²	124.2	69%	0.686	72%	0.722	S	S	*	*			trans	69.9	154.9	-177.5	-51.5	124.2	0	0	0	113.7
690	G	25.1	Very low	26.6	Very low	70 Å²	70	128 Å²	128	72%	0.722	73%	0.727	S	S	*	*			cis	155.8	150	-5.9	0	0	0	0	0	111.4
691	G	26.8	Very low	26.7	Very low	77 Å²	77	120.9 Å²	120.9	79%	0.794	71%	0.713	S	S	*	*			trans	75.5	141.4	-177.2	0	0	0	0	0	113.6
692	A	26.1	Very low	26.9	Very low	87 Å²	87	120.3 Å²	120.3	72%	0.719	72%	0.718	S	S	*	*			cis	84.1	129.3	15.8	0	0	0	0	0	117.1
693	N	25.8	Very low	26.7	Very low	162 Å²	162	119.4 Å²	119.4	87%	0.866	73%	0.728	S	S	*	*			trans	71.8	148.1	158.4	-59.6	-5.4	0	0	0	118
694	A	27.4	Very low	26.6	Very low	83 Å²	83	124.3 Å²	124.3	69%	0.686	74%	0.741	S	S	*	*			cis	-169	159.8	-15.3	0	0	0	0	0	111.5
695	V	27.3	Very low	26.5	Very low	138 Å²	138	124 Å²	124	84%	0.836	75%	0.745	S	S	*	*			trans	51.3	135.4	149.2	174.9	0	0	0	0	119.3	V697	V695-V697 HydrophobicContact CG1-CG2 3.83Å
696	G	26.8	Very low	26.7	Very low	73 Å²	73	127.3 Å²	127.3	75%	0.753	75%	0.745	S	S	*	*			cis	-176	-133.5	3.2	0	0	0	0	0	108.1
697	V	26.6	Very low	26.7	Very low	114 Å²	114	121 Å²	121	69%	0.691	74%	0.738	S	S	*	*			cis	-160.9	156.5	-13.2	-163.8	0	0	0	0	107.1	V695	V695-V697 HydrophobicContact CG1-CG2 3.83Å
698	C	24.7	Very low	27.1	Very low	99 Å²	99	113 Å²	113	67%	0.669	72%	0.717	S	S	*	*			trans	51.4	153	156.6	54.6	0	0	0	0	122.3
699	S	29.1	Very low	27.3	Very low	93 Å²	93	109.2 Å²	109.2	65%	0.65	71%	0.705	S	S	*	*			cis	-168	160.8	-15.1	-98.9	0	0	0	0	112.8
700	N	26.9	Very low	27.4	Very low	145 Å²	145	109.9 Å²	109.9	78%	0.775	70%	0.702	S	S	*	*			trans	66.4	162.8	154.4	-63.9	-6.9	0	0	0	119.9
701	A	28.8	Very low	27.8	Very low	62 Å²	62	110.1 Å²	110.1	51%	0.512	69%	0.693	S	S	.	*			cis	-164.3	158	-33.6	0	0	0	0	0	111.9
702	S	30.3	Very low	27.9	Very low	99 Å²	99	113.4 Å²	113.4	69%	0.692	69%	0.692	S	S	*	*			trans	63.2	160.6	152.1	-61.5	0	0	0	0	120.1
703	T	26.8	Very low	28.1	Very low	117 Å²	117	117.3 Å²	117.3	72%	0.718	70%	0.696	S	S	*	*			cis	-162.9	139.3	-12.5	15.3	0	0	0	0	112.4
704	L	27.3	Very low	28.1	Very low	158 Å²	158	117 Å²	117	83%	0.827	69%	0.692	S	S	*	*			trans	64.7	172.7	159.9	-56.8	175.4	0	0	0	117.1
705	K	27.7	Very low	28.1	Very low	181 Å²	181	116 Å²	116	79%	0.787	69%	0.69	S	S	*	*			cis	-127	-118.5	-5	-148	175.5	-175.5	-174.8	0	116.3
706	L	27.7	Very low	28.2	Very low	141 Å²	141	115.2 Å²	115.2	74%	0.738	69%	0.69	S	S	*	*			trans	-165.8	156.6	-148.3	-167	60	0	0	0	118
707	S	29	Very low	28.2	Very low	104 Å²	104	117.7 Å²	117.7	73%	0.727	69%	0.691	S	S	*	*			trans	65.8	151.8	157.6	42.6	0	0	0	0	120.8
708	S	29.9	Very low	28.1	Very low	65 Å²	65	116.9 Å²	116.9	46%	0.455	69%	0.691	S	S	.	*			cis	-174.7	165.2	-23.7	-153.6	0	0	0	0	112.5	P1599	S708-P1599 VanDerWaalsContact OG-CD 3.26Å; S708-P1599 WeakPolarHBondContact OG-CD 3.27Å
709	L	28.7	Very low	28.1	Very low	95 Å²	95	118.5 Å²	118.5	50%	0.497	70%	0.697	S	S	.	*			trans	77.7	102.4	151.7	-73.7	156.1	0	0	0	124.8	P1599 Y1600 L1601	L709-P1599 WeakPolarHBondContact CA-O 3.47Å; L709-P1599 PolarHBondContact N-O 3.27Å; L709-Y1600 VanDerWaalsContact CD2-C 3.46Å; L709-Y1600 WeakPolarHBondContact CD2-O 3.49Å; L709-L1601 HydrophobicContact CD2-CB 4.33Å
710	K	28	Very low	28	Very low	145 Å²	145	115.7 Å²	115.7	63%	0.63	68%	0.68	S	S	*	*				91	125.2	103.2	-165.6	167	-178.7	-175.3	0	125.3	L1601	K710-L1601 PolarHBondContact NZ-O 3.47Å; K710-L1601 VanDerWaalsContact NZ-O 3.14Å
711	S	31.5	Very low	28.2	Very low	75 Å²	75	109.9 Å²	109.9	52%	0.524	65%	0.649	S	S	.	*			trans	87.7	129.3	141.3	-86.3	0	0	0	0	125.2
712	D	29.8	Very low	28	Very low	146 Å²	146	111.6 Å²	111.6	78%	0.781	65%	0.649	S	S	*	*				64.1	147.8	127.9	-48	-18.8	0	0	0	121
713	E	29.8	Very low	28	Very low	169 Å²	169	111.5 Å²	111.5	79%	0.79	64%	0.644	S	S	*	*			cis	-167.8	174.6	-20.1	-166	-177.3	-152.3	0	0	109.7
714	I	26.3	Very low	28.4	Very low	156 Å²	156	109.5 Å²	109.5	80%	0.8	63%	0.633	S	S	*	*			trans	81.1	141.4	159.9	-50.3	177.9	0	0	0	119.8
715	G	27.9	Very low	28.4	Very low	62 Å²	62	107 Å²	107	64%	0.639	63%	0.629	S	S	*	*			trans	89	119.7	164.1	0	0	0	0	0	115.5
716	S	28.1	Very low	28.5	Very low	120 Å²	120	103.1 Å²	103.1	84%	0.839	61%	0.612	S	S	*	*			cis	61	120.2	42.3	-51.2	0	0	0	0	112.3
717	T	26.7	Very low	28.4	Very low	126 Å²	126	103.3 Å²	103.3	77%	0.773	61%	0.613	S	S	*	*			cis	-150.9	178.3	24.9	49.4	0	0	0	0	113.7
718	S	25.4	Very low	28.3	Very low	97 Å²	97	104.7 Å²	104.7	68%	0.678	61%	0.612	S	S	*	*			trans	46.9	111.2	154.9	52.3	0	0	0	0	120.5
719	V	25.7	Very low	28.2	Very low	133 Å²	133	110.6 Å²	110.6	81%	0.806	63%	0.633	S	S	*	*				72.6	126	81.3	166.8	0	0	0	0	114.5
720	A	26.5	Very low	28	Very low	34 Å²	34	112.1 Å²	112.1	28%	0.281	65%	0.646	S	S	.	*			cis	-175.6	168.1	-16.2	0	0	0	0	0	109.7	F881	A720-F881 WeakPolarHBondContact O-CA 3.5Å; A720-F881 WeakPolarHBondContact O-CB 3.42Å; A720-F881 WeakPolarHBondContact O-CD1 3.3Å; A720-F881 WeakPolarHBondContact O-CD2 3.4Å; A720-F881 VanDerWaalsContact O-CE2 3.26Å; A720-F881 WeakPolarHBondContact O-CE2 3.45Å; A720-F881 WeakPolarHBondContact O-CG 3.2Å; A720-F881 PolarHBondContact O-N 2.64Å
721	T	30.5	Very low	28	Very low	22 Å²	22	113.5 Å²	113.5	14%	0.135	65%	0.652	C	S	.	*			trans	86.5	166.4	149.5	-50.4	0	0	0	0	121	F881 S882 Q884	T721-F881 VanDerWaalsContact CB-CE1 3.48Å; T721-F881 HydrophobicContact CG2-CD1 4.11Å; T721-F881 HydrophobicContact CG2-CE1 3.7Å; T721-F881 CarbonylContact O-C 3.54Å; T721-F881 WeakPolarHBondContact O-CA 3.29Å; T721-F881 WeakPolarHBondContact O-CB 3.39Å; T721-F881 WeakPolarHBondContact O-CD1 3.49Å; T721-F881 WeakPolarHBondContact O-CG 3.4Å; T721-S882 WeakPolarHBondContact O-CA 3.46Å; T721-S882 WeakPolarHBondContact O-CB 3.29Å; T721-S882 PolarHBondContact O-N 3.42Å; T721-S882 PolarHBondContact O-OG 3.34Å; T721-Q884 HydrophobicContact CG2-CB 4.44Å; T721-Q884 VanDerWaalsContact CG2-CD 3.47Å; T721-Q884 HydrophobicContact CG2-CG 3.96Å
722	L	25.4	Very low	28.2	Very low	99 Å²	99	114.2 Å²	114.2	52%	0.518	66%	0.655	S	S	.	*			trans	55.3	107.7	-178.6	-59	171.5	0	0	0	121.1	F881 S882	L722-F881 HydrophobicContact CB-CD1 3.7Å; L722-F881 HydrophobicContact CB-CE1 4.44Å; L722-F881 HydrophobicContact CD1-CD1 3.64Å; L722-F881 HydrophobicContact CD1-CE1 3.79Å; L722-F881 HydrophobicContact CG-CD1 3.59Å; L722-F881 HydrophobicContact CG-CE1 3.83Å; L722-S882 PolarHBondContact N-OG 3.05Å; L722-S882 WeakPolarHBondContact O-CB 3.26Å; L722-S882 PolarHBondContact O-OG 3.21Å
723	V	29.1	Very low	28.1	Very low	97 Å²	97	114.9 Å²	114.9	59%	0.588	65%	0.653	S	S	*	*				80.4	141.1	63.4	163.9	0	0	0	0	113	S882	V723-S882 PolarHBondContact N-OG 3.38Å
724	P	34.9	Very low	28	Very low	75 Å²	75	113.7 Å²	113.7	49%	0.487	65%	0.652	S	S	.	*			cis	-134.3	-160.3	-29.5	37.9	-17.8	0	0	0	111.4
725	S	27	Very low	27.9	Very low	106 Å²	106	110.1 Å²	110.1	74%	0.741	65%	0.646	S	S	*	*				171.9	150.1	113.9	-76.9	0	0	0	0	113.5
726	K	30.3	Very low	27.9	Very low	98 Å²	98	113.6 Å²	113.6	43%	0.426	66%	0.655	S	S	.	*			trans	-88.5	141.5	158	-63.4	169.7	-177.6	155	0	107.7	N664 V665 D666	N664-K726 WeakPolarHBondContact OD1-CD 3.34Å; N664-K726 WeakPolarHBondContact OD1-CE 3.46Å; N664-K726 PolarHBondContact OD1-NZ 3.29Å; V665-K726 HydrophobicContact CG2-CD 4.32Å; V665-K726 HydrophobicContact CG2-CG 4.15Å; D666-K726 WeakPolarHBondContact OD2-CE 2.87Å; D666-K726 IonicContact OD2-NZ 2.63Å; D666-K726 PolarHBondContact OD2-NZ 2.95Å
727	L	25.5	Very low	27.8	Very low	146 Å²	146	112.3 Å²	112.3	76%	0.764	65%	0.646	S	S	*	*				-173.9	141	121.7	-118.1	71.3	0	0	0	111.9
728	D	26.8	Very low	27.8	Very low	132 Å²	132	112.6 Å²	112.6	71%	0.706	65%	0.647	S	S	*	*			trans	38.7	113.1	139.5	-51.5	-10	0	0	0	122.5
729	E	27.4	Very low	28.5	Very low	189 Å²	189	113.2 Å²	113.2	88%	0.883	65%	0.649	S	S	*	*				58.1	170.4	127.7	-148.3	164.7	156.5	0	0	121.5
730	V	25.3	Very low	28.8	Very low	127 Å²	127	112.5 Å²	112.5	77%	0.77	65%	0.645	S	S	*	*			trans	75.2	84.9	168.3	-167.8	0	0	0	0	116.8
731	K	28.8	Very low	28.9	Very low	175 Å²	175	116.5 Å²	116.5	76%	0.761	67%	0.671	S	S	*	*			trans	-22.9	161.3	135.3	-100.1	-155.5	164	-154.5	0	115.2
732	P	35.8	Very low	29	Very low	90 Å²	90	119.1 Å²	119.1	58%	0.584	70%	0.702	S	S	*	*			cis	-150.1	-172.7	-16.2	37.2	-12.9	0	0	0	116.1
733	E	26.1	Very low	29.3	Very low	159 Å²	159	119.7 Å²	119.7	74%	0.743	72%	0.715	S	S	*	*			trans	72	167.6	153.2	-33.7	-168.6	-175.5	0	0	120.8
734	D	27.6	Very low	29.3	Very low	145 Å²	145	119.3 Å²	119.3	78%	0.775	72%	0.716	S	S	*	*			trans	55.9	80.1	163.1	-61.8	-11.2	0	0	0	122.5
735	A	25.7	Very low	29.3	Very low	80 Å²	80	123.9 Å²	123.9	66%	0.661	73%	0.731	S	S	*	*				54.1	149	103.8	0	0	0	0	0	122.7
736	T	26.9	Very low	29.4	Very low	135 Å²	135	125.6 Å²	125.6	83%	0.828	73%	0.732	S	S	*	*			trans	65.3	147.8	158.8	45.6	0	0	0	0	118.2
737	S	25.7	Very low	29.4	Very low	93 Å²	93	124.4 Å²	124.4	65%	0.65	75%	0.747	S	S	*	*			cis	-174.4	153.9	-18.7	50.8	0	0	0	0	112.2
738	V	28.1	Very low	29.5	Very low	132 Å²	132	120.9 Å²	120.9	80%	0.8	75%	0.746	S	S	*	*			trans	74.1	146.6	148.4	161.6	0	0	0	0	117.4
739	P	40	Very low	29.6	Very low	110 Å²	110	123.4 Å²	123.4	71%	0.714	75%	0.754	S	S	*	*			trans	-103.8	-158.9	-173.7	42.5	-35.4	0	0	0	111.9
740	T	30.8	Very low	29.6	Very low	118 Å²	118	119.2 Å²	119.2	72%	0.724	75%	0.745	S	S	*	*				170	139	124.9	-70.3	0	0	0	0	113.5
741	S	28.7	Very low	29.6	Very low	118 Å²	118	118.5 Å²	118.5	83%	0.825	74%	0.74	S	S	*	*			trans	47.9	139.9	156.3	72.1	0	0	0	0	124
742	G	33.3	Very low	29.5	Very low	77 Å²	77	117.5 Å²	117.5	79%	0.794	74%	0.739	S	S	*	*			trans	-176.8	138.6	155	0	0	0	0	0	110
743	S	31.2	Very low	29.1	Very low	112 Å²	112	119.9 Å²	119.9	78%	0.783	75%	0.747	S	S	*	*			trans	-155	173.4	-165	63.5	0	0	0	0	115.8
744	S	29.1	Very low	29.2	Very low	89 Å²	89	115.4 Å²	115.4	62%	0.622	74%	0.743	S	S	*	*			trans	104.9	147.6	146.3	-28.6	0	0	0	0	119.1
745	H	34.2	Very low	29.1	Very low	170 Å²	170	116.3 Å²	116.3	79%	0.787	75%	0.746	S	S	*	*			trans	68.6	150.3	155.3	-68.8	-60.2	0	0	0	120.4
746	D	29.4	Very low	29.3	Very low	143 Å²	143	118.4 Å²	118.4	77%	0.765	75%	0.75	S	S	*	*			cis	-169.1	165.7	-34.1	-138.3	-35.6	0	0	0	111.3
747	G	31.2	Very low	29.3	Very low	73 Å²	73	117.7 Å²	117.7	75%	0.753	75%	0.751	S	S	*	*			trans	68.8	162.7	157.8	0	0	0	0	0	118.1
748	G	28.2	Very low	29.5	Very low	71 Å²	71	117.1 Å²	117.1	73%	0.732	76%	0.759	S	S	*	*			cis	159	143.4	-7.6	0	0	0	0	0	112.2
749	E	28.9	Very low	29.4	Very low	186 Å²	186	115.8 Å²	115.8	87%	0.869	76%	0.756	S	S	*	*			trans	67.3	132.3	167.2	-64.1	-179.6	152.5	0	0	115.6
750	S	26.1	Very low	28.8	Very low	100 Å²	100	116.1 Å²	116.1	70%	0.699	76%	0.756	S	S	*	*			cis	79.1	150.4	45.7	95.5	0	0	0	0	112.3
751	V	26.4	Very low	28.6	Very low	112 Å²	112	117.1 Å²	117.1	68%	0.679	76%	0.762	S	S	*	*			cis	-161.3	171.5	9.5	71	0	0	0	0	110.9
752	E	26.5	Very low	28.5	Very low	155 Å²	155	119.7 Å²	119.7	72%	0.724	77%	0.766	S	S	*	*			trans	65.6	160.5	157.7	-66.9	-167	135.7	0	0	119
753	N	26.2	Very low	28.2	Very low	140 Å²	140	126.4 Å²	126.4	75%	0.749	77%	0.773	S	S	*	*			cis	-160.1	160.5	-22.4	-106.2	-19.7	0	0	0	109.7
754	G	28.3	Very low	28	Very low	64 Å²	64	124.4 Å²	124.4	66%	0.66	77%	0.77	S	S	*	*			trans	136.9	103	142.7	0	0	0	0	0	120.6
755	I	27.1	Very low	27.9	Very low	165 Å²	165	125.2 Å²	125.2	85%	0.846	78%	0.776	S	S	*	*			trans	79.3	97.9	130.9	-62.8	172.5	0	0	0	119.8
756	V	28.1	Very low	27.4	Very low	123 Å²	123	124.8 Å²	124.8	75%	0.745	78%	0.779	S	S	*	*			trans	83.8	96	130.5	178.6	0	0	0	0	121
757	S	27.6	Very low	27.4	Very low	121 Å²	121	121 Å²	121	85%	0.846	77%	0.773	S	S	*	*				64.7	127.1	124.2	-52.9	0	0	0	0	122.8
758	G	30.3	Very low	27.1	Very low	80 Å²	80	124.1 Å²	124.1	83%	0.825	77%	0.773	S	S	*	*			trans	175	52.7	169.5	0	0	0	0	0	118.8
759	S	25.9	Very low	27	Very low	104 Å²	104	127.6 Å²	127.6	73%	0.727	78%	0.775	S	S	*	*			trans	18.3	143.3	159.9	-161.4	0	0	0	0	123.9
760	T	28	Very low	26.8	Very low	118 Å²	118	126.8 Å²	126.8	72%	0.724	77%	0.771	S	S	*	*			trans	68.3	77.6	147.7	36.4	0	0	0	0	121
761	T	26	Very low	26.8	Very low	138 Å²	138	127.3 Å²	127.3	85%	0.847	78%	0.775	S	S	*	*				27.7	93.9	117.5	-42.3	0	0	0	0	119.9
762	L	26.6	Very low	26.7	Very low	172 Å²	172	127.2 Å²	127.2	90%	0.901	78%	0.779	S	S	*	*			trans	-143.2	131.1	141.8	-77.7	-176.9	0	0	0	109	G764	L762-G764 PolarHBondContact O-N 3.44Å
763	K	27.2	Very low	26.6	Very low	218 Å²	218	127.7 Å²	127.7	95%	0.948	79%	0.786	S	S	*	*			trans	-95	75.3	-171.5	-162.7	169.3	-175.3	174.9	0	112.4
764	G	26.2	Very low	26.5	Very low	70 Å²	70	126.3 Å²	126.3	72%	0.722	79%	0.787	S	S	*	*			trans	-85.4	165	175.4	0	0	0	0	0	114.8	L762	L762-G764 PolarHBondContact O-N 3.44Å
765	S	27.6	Very low	26.4	Very low	106 Å²	106	129.4 Å²	129.4	74%	0.741	79%	0.793	S	S	*	*			trans	-69.6	153.3	-176.8	-44.3	0	0	0	0	115.1
766	N	23.2	Very low	26.3	Very low	162 Å²	162	124.8 Å²	124.8	87%	0.866	79%	0.787	S	S	*	*				167.6	162.9	112.8	-84.8	-16.2	0	0	0	113.3
767	G	29.4	Very low	26.2	Very low	62 Å²	62	125 Å²	125	64%	0.639	79%	0.788	S	S	*	*			trans	122.4	107.2	-176.7	0	0	0	0	0	110.8
768	N	24.6	Very low	26.2	Very low	139 Å²	139	124.3 Å²	124.3	74%	0.743	78%	0.781	S	S	*	*			cis	58.3	132.6	19.5	-53.8	23.8	0	0	0	111.1
769	D	26.9	Very low	26.1	Very low	144 Å²	144	126 Å²	126	77%	0.77	78%	0.775	S	S	*	*			cis	-124.1	148.1	23.4	-67.8	-52.1	0	0	0	111.7
770	E	25.7	Very low	26.3	Very low	169 Å²	169	126.9 Å²	126.9	79%	0.79	78%	0.776	S	S	*	*				84.3	131.6	55.8	-99.1	-98.4	96.1	0	0	115
771	S	24.7	Very low	26.8	Very low	112 Å²	112	126 Å²	126	78%	0.783	77%	0.767	S	S	*	*			trans	66.8	161	173.2	86.5	0	0	0	0	118.3
772	S	25.1	Very low	28	Very low	110 Å²	110	124.4 Å²	124.4	77%	0.769	75%	0.75	S	S	*	*			cis	-141.1	164	7.5	62.8	0	0	0	0	114.2
773	L	24	Very low	29.3	Very low	164 Å²	164	120.1 Å²	120.1	86%	0.859	73%	0.732	S	S	*	*			trans	-69	153.2	-173.4	-68.5	60.2	0	0	0	113.8
774	S	24.8	Very low	31.2	Very low	112 Å²	112	112.1 Å²	112.1	78%	0.783	70%	0.699	S	S	*	*				-160.9	116.9	115.5	-163	0	0	0	0	114.6
775	T	25.2	Very low	33.6	Very low	128 Å²	128	109.2 Å²	109.2	79%	0.785	67%	0.667	S	S	*	*			trans	30	104.9	137	-32.5	0	0	0	0	119.6
776	G	25.4	Very low	36.3	Very low	69 Å²	69	107 Å²	107	71%	0.711	65%	0.649	S	S	*	*			trans	-162.2	84.1	163.7	0	0	0	0	0	111.5	P778	G776-P778 WeakPolarHBondContact O-CD 3.44Å; G776-P778 VanDerWaalsContact O-N 3.08Å
777	V	26.4	Very low	39.2	Very low	126 Å²	126	100.4 Å²	100.4	76%	0.764	61%	0.614	S	S	*	*			trans	-54.8	110.8	-169.8	179.8	0	0	0	0	111.7	V779	V777-V779 PolarHBondContact O-N 3.14Å; V777-V779 VanDerWaalsContact O-N 3.14Å
778	P	27.3	Very low	41.7	Very low	108 Å²	108	105.6 Å²	105.6	70%	0.701	62%	0.619	S	S	*	*			trans	-77.2	103.9	170.8	31.2	-28.7	0	0	0	107.4	G776 T780	G776-P778 WeakPolarHBondContact O-CD 3.44Å; G776-P778 VanDerWaalsContact O-N 3.08Å; P778-T780 PolarHBondContact O-N 2.79Å
779	V	28.4	Very low	44.5	Very low	115 Å²	115	100.8 Å²	100.8	70%	0.697	59%	0.592	S	S	*	*			trans	-49.9	110.2	174.5	175.4	0	0	0	0	108.8	V777 N781	V777-V779 PolarHBondContact O-N 3.14Å; V777-V779 VanDerWaalsContact O-N 3.14Å; V779-N781 PolarHBondContact O-N 2.91Å; V779-N781 PolarHBondContact O-ND2 3.32Å
780	T	30.2	Very low	47.3	Very low	122 Å²	122	93.9 Å²	93.9	75%	0.748	56%	0.556	S	S	*	*			trans	-67.2	97.5	-177	40.2	0	0	0	0	108.5	P778 E782	P778-T780 PolarHBondContact O-N 2.79Å; T780-E782 PolarHBondContact O-N 2.77Å
781	N	37.1	Very low	50.2	Low	100 Å²	100	88.8 Å²	88.8	54%	0.535	53%	0.533	S	S	.	.			trans	-68.9	95	162.5	-60.2	-93.6	0	0	0	105	V779	V779-N781 PolarHBondContact O-N 2.91Å; V779-N781 PolarHBondContact O-ND2 3.32Å
782	E	52.2	Low	52.8	Low	105 Å²	105	86.3 Å²	86.3	49%	0.491	52%	0.519	S	S	.	.			trans	-50.9	135	174.2	-69.2	-156.3	101.3	0	0	109.4	Q617 T780 I784	Q617-E782 PolarHBondContact NE2-OE1 3.35Å; Q617-E782 PolarHBondContact NE2-OE2 3.17Å; T780-E782 PolarHBondContact O-N 2.77Å; E782-I784 PolarHBondContact O-N 2.71Å
783	P	54.3	Low	55.6	Low	81 Å²	81	81.7 Å²	81.7	53%	0.526	49%	0.485	S	S	.	.			trans	-61.7	127.7	176.1	26.3	-32.5	0	0	0	108.8	K785	P783-K785 PolarHBondContact O-N 3.02Å
784	I	65.7	Low	58.6	Low	51 Å²	51	75.5 Å²	75.5	26%	0.262	45%	0.451	S	S	.	.			trans	-56.9	110.5	170.2	-67.3	112.7	0	0	0	107.4	F640 T644 E782 T786	F640-I784 WeakPolarHBondContact O-CG2 3.16Å; T644-I784 HydrophobicContact CG2-CD1 3.49Å; T644-I784 VanDerWaalsContact CG2-CD1 3.49Å; T644-I784 HydrophobicContact CG2-CG1 4.5Å; E782-I784 PolarHBondContact O-N 2.71Å; I784-T786 PolarHBondContact O-N 3.4Å; I784-T786 VanDerWaalsContact O-N 3.1Å
785	K	78	Confident	61.2	Low	8 Å²	8	77.2 Å²	77.2	4%	0.035	44%	0.441	C	S	.	.			trans	-51	120.2	178.6	-58.3	-62.8	-177.2	171.2	0	108.9	H612 W613 Q636 F640 P783 E789 L790	H612-K785 PolarHBondContact O-NZ 3.04Å; W613-K785 HydrophobicContact CZ2-CD 4.23Å; W613-K785 HydrophobicContact CZ2-CG 4.4Å; Q636-K785 VanDerWaalsContact CG-O 3.22Å; Q636-K785 WeakPolarHBondContact CG-O 3.5Å; Q636-K785 PolarHBondContact NE2-O 2.77Å; F640-K785 HydrophobicContact CB-CB 4.16Å; F640-K785 HydrophobicContact CD1-CB 4.12Å; F640-K785 HydrophobicContact CD1-CG 3.69Å; F640-K785 HydrophobicContact CE1-CG 4.41Å; F640-K785 HydrophobicContact CG-CB 4.26Å; F640-K785 HydrophobicContact CG-CG 4.33Å; P783-K785 PolarHBondContact O-N 3.02Å; K785-E789 WeakPolarHBondContact CA-OE2 3.32Å; K785-E789 VanDerWaalsContact CD-OE2 3.26Å; K785-E789 WeakPolarHBondContact CD-OE2 3.36Å; K785-L790 HydrophobicContact CB-CD2 3.78Å; K785-L790 HydrophobicContact CB-CG 4.43Å
786	T	83.1	Confident	63.7	Low	60 Å²	60	74.4 Å²	74.4	37%	0.368	42%	0.417	S	S	.	.			trans	-70.7	157	178.1	61.4	0	0	0	0	110.7	I784 K788 E789 L790	I784-T786 PolarHBondContact O-N 3.4Å; I784-T786 VanDerWaalsContact O-N 3.1Å; T786-K788 PolarHBondContact O-N 3.49Å; T786-K788 VanDerWaalsContact O-N 3.07Å; T786-E789 WeakPolarHBondContact CB-OE1 3.5Å; T786-E789 VanDerWaalsContact CG2-OE1 3.23Å; T786-E789 WeakPolarHBondContact CG2-OE1 3.4Å; T786-E789 PolarHBondContact N-OE1 3.28Å; T786-E789 WeakPolarHBondContact O-CB 3.49Å; T786-E789 PolarHBondContact O-N 2.83Å; T786-E789 PolarHBondContact OG1-N 3.43Å; T786-E789 PolarHBondContact OG1-OE1 2.86Å; T786-L790 WeakPolarHBondContact O-CG 3.43Å; T786-L790 PolarHBondContact O-N 2.83Å
787	V	84.3	Confident	66.1	Low	23 Å²	23	75.1 Å²	75.1	14%	0.139	40%	0.398	C	S	.	.	H	α-helix	trans	-51.1	-33.7	170.7	-174.3	0	0	0	0	111.4	F632 F633 Q636 L790 I791	F632-V787 HydrophobicContact CB-CG1 3.76Å; F633-V787 HydrophobicContact CD1-CG2 3.79Å; F633-V787 HydrophobicContact CE1-CG1 4.39Å; F633-V787 HydrophobicContact CE1-CG2 3.91Å; F633-V787 HydrophobicContact CE2-CG1 4.37Å; F633-V787 HydrophobicContact CG-CG2 4.4Å; F633-V787 HydrophobicContact CZ-CG1 4.3Å; Q636-V787 HydrophobicContact CB-CG2 4.21Å; Q636-V787 HydrophobicContact CG-CG2 4.42Å; Q636-V787 VanDerWaalsContact OE1-CG2 3.26Å; V787-L790 PolarHBondContact O-N 2.89Å; V787-I791 HydrophobicContact CG1-CD1 3.93Å; V787-I791 WeakPolarHBondContact O-CB 3.22Å; V787-I791 WeakPolarHBondContact O-CD1 3.49Å; V787-I791 VanDerWaalsContact O-CG1 3.24Å; V787-I791 WeakPolarHBondContact O-CG1 3.22Å; V787-I791 PolarHBondContact O-N 3.37Å
788	K	81.7	Confident	68.5	Low	172 Å²	172	74.8 Å²	74.8	75%	0.748	39%	0.386	S	S	*	.	H	α-helix	trans	-64.7	-46	174.5	-171.1	-171.5	176.2	-165.3	0	112.4	T786 I791 A792	T786-K788 PolarHBondContact O-N 3.49Å; T786-K788 VanDerWaalsContact O-N 3.07Å; K788-I791 PolarHBondContact O-N 2.89Å; K788-A792 WeakPolarHBondContact O-CB 3.45Å; K788-A792 PolarHBondContact O-N 3.44Å
789	E	83.4	Confident	70.5	Confident	37 Å²	37	76.3 Å²	76.3	17%	0.173	38%	0.378	C	S	.	.	H	α-helix	trans	-64.2	-40.6	174.7	-71.8	152.7	-101.9	0	0	112	W613 K785 T786 I791 A792 F793	W613-E789 HydrophobicContact CZ2-CB 4.48Å; K785-E789 WeakPolarHBondContact CA-OE2 3.32Å; K785-E789 VanDerWaalsContact CD-OE2 3.26Å; K785-E789 WeakPolarHBondContact CD-OE2 3.36Å; T786-E789 WeakPolarHBondContact CB-OE1 3.5Å; T786-E789 VanDerWaalsContact CG2-OE1 3.23Å; T786-E789 WeakPolarHBondContact CG2-OE1 3.4Å; T786-E789 PolarHBondContact N-OE1 3.28Å; T786-E789 WeakPolarHBondContact O-CB 3.49Å; T786-E789 PolarHBondContact O-N 2.83Å; T786-E789 PolarHBondContact OG1-N 3.43Å; T786-E789 PolarHBondContact OG1-OE1 2.86Å; E789-I791 VanDerWaalsContact C-N 3.33Å; E789-I791 PolarHBondContact O-N 2.87Å; E789-A792 PolarHBondContact O-N 3.39Å; E789-F793 WeakPolarHBondContact O-CB 3.24Å; E789-F793 PolarHBondContact O-N 2.99Å
790	L	86.7	Confident	72.3	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-60.6	-43.1	176	-61.9	-174.5	0	0	0	111.6	W613 F621 F632 I635 Q636 F640 K785 T786 V787 Y794	W613-L790 HydrophobicContact CH2-CD2 3.52Å; W613-L790 HydrophobicContact CZ2-CD2 4.19Å; W613-L790 HydrophobicContact CZ3-CD2 4.38Å; F621-L790 HydrophobicContact CD2-CD2 4.08Å; F621-L790 HydrophobicContact CE2-CB 3.96Å; F621-L790 HydrophobicContact CE2-CD2 3.92Å; F621-L790 HydrophobicContact CE2-CG 4.38Å; F621-L790 HydrophobicContact CZ-CB 4.48Å; F621-L790 VanDerWaalsContact CZ-O 3.28Å; F621-L790 WeakPolarHBondContact CZ-O 3.43Å; F632-L790 HydrophobicContact CD1-CB 4.07Å; F632-L790 WeakPolarHBondContact O-CD1 3.43Å; I635-L790 HydrophobicContact CB-CD1 4.22Å; I635-L790 HydrophobicContact CG2-CD1 3.8Å; Q636-L790 HydrophobicContact CB-CD1 3.64Å; Q636-L790 HydrophobicContact CG-CD1 4.03Å; F640-L790 HydrophobicContact CD1-CD2 4.38Å; F640-L790 HydrophobicContact CD2-CD1 4.44Å; F640-L790 HydrophobicContact CD2-CD2 3.74Å; F640-L790 HydrophobicContact CE2-CD2 4.14Å; F640-L790 HydrophobicContact CG-CD2 3.9Å; K785-L790 HydrophobicContact CB-CD2 3.78Å; K785-L790 HydrophobicContact CB-CG 4.43Å; T786-L790 WeakPolarHBondContact O-CG 3.43Å; T786-L790 PolarHBondContact O-N 2.83Å; V787-L790 PolarHBondContact O-N 2.89Å; L790-Y794 WeakPolarHBondContact O-CB 3.26Å; L790-Y794 PolarHBondContact O-N 3.35Å
791	I	85.3	Confident	73.3	Confident	61 Å²	61	69 Å²	69	31%	0.313	33%	0.334	S	S	.	.	H	α-helix	trans	-67.1	-44.6	175.9	-70.6	166.9	0	0	0	110.9	F632 V787 K788 E789 F793 Y794 Y795	F632-I791 HydrophobicContact CB-CG1 4.14Å; F632-I791 HydrophobicContact CD1-CG1 4.13Å; F632-I791 HydrophobicContact CD2-CD1 4Å; F632-I791 HydrophobicContact CD2-CG1 3.43Å; F632-I791 VanDerWaalsContact CD2-CG1 3.43Å; F632-I791 HydrophobicContact CE1-CG1 4.42Å; F632-I791 HydrophobicContact CE2-CG1 3.78Å; F632-I791 HydrophobicContact CG-CD1 4.36Å; F632-I791 HydrophobicContact CG-CG1 3.62Å; F632-I791 HydrophobicContact CZ-CG1 4.26Å; V787-I791 HydrophobicContact CG1-CD1 3.93Å; V787-I791 WeakPolarHBondContact O-CB 3.22Å; V787-I791 WeakPolarHBondContact O-CD1 3.49Å; V787-I791 VanDerWaalsContact O-CG1 3.24Å; V787-I791 WeakPolarHBondContact O-CG1 3.22Å; V787-I791 PolarHBondContact O-N 3.37Å; K788-I791 PolarHBondContact O-N 2.89Å; E789-I791 VanDerWaalsContact C-N 3.33Å; E789-I791 PolarHBondContact O-N 2.87Å; I791-F793 PolarHBondContact O-N 2.97Å; I791-Y794 WeakPolarHBondContact O-CB 3.46Å; I791-Y794 PolarHBondContact O-N 2.84Å; I791-Y795 HydrophobicContact CG2-CD2 3.8Å; I791-Y795 HydrophobicContact CG2-CE2 3.7Å; I791-Y795 VanDerWaalsContact O-CD2 3.27Å; I791-Y795 WeakPolarHBondContact O-CD2 3.48Å; I791-Y795 PolarHBondContact O-N 2.79Å
792	A	80.1	Confident	73.6	Confident	60 Å²	60	67.9 Å²	67.9	50%	0.496	33%	0.331	S	S	.	.	H	α-helix	trans	-61.6	-43.9	177.9	0	0	0	0	0	111.6	K788 E789 Y795 Y796	K788-A792 WeakPolarHBondContact O-CB 3.45Å; K788-A792 PolarHBondContact O-N 3.44Å; E789-A792 PolarHBondContact O-N 3.39Å; A792-Y795 PolarHBondContact O-N 3.44Å; A792-Y796 WeakPolarHBondContact O-CB 3.4Å; A792-Y796 PolarHBondContact O-N 3.08Å
793	F	83	Confident	73	Confident	13 Å²	13	65.4 Å²	65.4	6%	0.057	33%	0.325	C	S	.	.	H	α-helix	trans	-67.3	-36.7	175.5	-172.1	-92.8	0	0	0	112.1	P610 W613 V618 F621 E789 I791 Y795 Y796 W797	P610-F793 HydrophobicContact CB-CD2 4.18Å; W613-F793 HydrophobicContact CB-CE2 4.17Å; W613-F793 AromaticContact CD1-CD2 3.95Å; W613-F793 HydrophobicContact CD2-CB 4.38Å; W613-F793 HydrophobicContact CD2-CD1 4.3Å; W613-F793 AromaticContact CD2-CD2 3.61Å; W613-F793 HydrophobicContact CD2-CD2 3.61Å; W613-F793 AromaticContact CD2-CE2 3.94Å; W613-F793 HydrophobicContact CD2-CE2 3.94Å; W613-F793 AromaticContact CD2-CG 3.82Å; W613-F793 HydrophobicContact CD2-CG 3.82Å; W613-F793 HydrophobicContact CD2-CZ 4.44Å; W613-F793 AromaticContact CE2-CD2 3.64Å; W613-F793 AromaticContact CE2-CG 3.64Å; W613-F793 AromaticContact CE3-CD1 3.95Å; W613-F793 HydrophobicContact CE3-CD1 3.95Å; W613-F793 HydrophobicContact CE3-CD2 4.06Å; W613-F793 HydrophobicContact CE3-CE1 4.1Å; W613-F793 HydrophobicContact CE3-CE2 4.2Å; W613-F793 AromaticContact CE3-CG 3.95Å; W613-F793 HydrophobicContact CE3-CG 3.95Å; W613-F793 HydrophobicContact CE3-CZ 4.24Å; W613-F793 AromaticContact CG-CD2 3.84Å; W613-F793 HydrophobicContact CG-CD2 3.84Å; W613-F793 AromaticContact CG-CE2 3.94Å; W613-F793 HydrophobicContact CG-CE2 3.94Å; W613-F793 HydrophobicContact CH2-CB 3.58Å; W613-F793 AromaticContact CH2-CD1 3.78Å; W613-F793 HydrophobicContact CH2-CD1 3.78Å; W613-F793 HydrophobicContact CH2-CD2 4.45Å; W613-F793 AromaticContact CH2-CG 3.67Å; W613-F793 HydrophobicContact CH2-CG 3.67Å; W613-F793 HydrophobicContact CZ2-CB 3.25Å; W613-F793 HydrophobicContact CZ2-CD1 4.2Å; W613-F793 HydrophobicContact CZ2-CD2 4.1Å; W613-F793 AromaticContact CZ2-CG 3.59Å; W613-F793 HydrophobicContact CZ2-CG 3.59Å; W613-F793 HydrophobicContact CZ3-CB 4.3Å; W613-F793 AromaticContact CZ3-CD1 3.67Å; W613-F793 HydrophobicContact CZ3-CD1 3.67Å; W613-F793 HydrophobicContact CZ3-CD2 4.45Å; W613-F793 HydrophobicContact CZ3-CE1 4.13Å; W613-F793 AromaticContact CZ3-CG 3.87Å; W613-F793 HydrophobicContact CZ3-CG 3.87Å; W613-F793 AromaticContact NE1-CD2 3.86Å; V618-F793 HydrophobicContact CB-CZ 4.31Å; V618-F793 HydrophobicContact CG1-CE1 4.28Å; V618-F793 HydrophobicContact CG1-CZ 3.94Å; V618-F793 HydrophobicContact CG2-CE1 4.4Å; V618-F793 HydrophobicContact CG2-CE2 4.21Å; V618-F793 HydrophobicContact CG2-CZ 3.63Å; F621-F793 AromaticContact CD1-CD1 3.56Å; F621-F793 HydrophobicContact CD1-CD1 3.56Å; F621-F793 AromaticContact CD1-CE1 3.8Å; F621-F793 HydrophobicContact CD1-CE1 3.8Å; F621-F793 AromaticContact CE1-CD1 3.66Å; F621-F793 HydrophobicContact CE1-CD1 3.66Å; F621-F793 HydrophobicContact CE1-CE1 4.29Å; F621-F793 HydrophobicContact CG-CD1 4.27Å; F621-F793 HydrophobicContact CZ-CD1 4.48Å; E789-F793 WeakPolarHBondContact O-CB 3.24Å; E789-F793 PolarHBondContact O-N 2.99Å; I791-F793 PolarHBondContact O-N 2.97Å; F793-Y795 PolarHBondContact O-N 3.42Å; F793-Y796 HydrophobicContact CD2-CD1 4.41Å; F793-Y796 HydrophobicContact CE2-CD1 4.38Å; F793-Y796 PolarHBondContact O-N 2.9Å; F793-W797 HydrophobicContact CD1-CB 4.44Å; F793-W797 HydrophobicContact CE1-CB 4.16Å; F793-W797 HydrophobicContact CE1-CG 4.47Å; F793-W797 WeakPolarHBondContact O-CB 3.16Å; F793-W797 PolarHBondContact O-N 2.74Å
794	Y	87.1	Confident	72.2	Confident	35 Å²	35	64.6 Å²	64.6	14%	0.137	32%	0.321	C	S	.	.	H	α-helix	trans	-58.8	-45.8	171.9	175.9	-105.3	0	0	0	112.4	L625 K630 F632 L790 I791 K798	L625-Y794 HydrophobicContact CD1-CD2 3.99Å; L625-Y794 HydrophobicContact CD1-CE2 4.41Å; L625-Y794 HydrophobicContact CD2-CD2 4.04Å; L625-Y794 HydrophobicContact CD2-CE2 4.33Å; K630-Y794 WeakPolarHBondContact CE-OH 3.3Å; F632-Y794 HydrophobicContact CE1-CG 4.05Å; F632-Y794 AromaticContact CZ-CD1 3.89Å; F632-Y794 HydrophobicContact CZ-CD1 3.89Å; F632-Y794 HydrophobicContact CZ-CD2 4.41Å; F632-Y794 AromaticContact CZ-CG 3.8Å; F632-Y794 HydrophobicContact CZ-CG 3.8Å; L790-Y794 WeakPolarHBondContact O-CB 3.26Å; L790-Y794 PolarHBondContact O-N 3.35Å; I791-Y794 WeakPolarHBondContact O-CB 3.46Å; I791-Y794 PolarHBondContact O-N 2.84Å; Y794-K798 VanDerWaalsContact O-CB 3.3Å; Y794-K798 WeakPolarHBondContact O-CB 3.44Å; Y794-K798 PolarHBondContact O-N 3.48Å
795	Y	81.2	Confident	70.5	Confident	147 Å²	147	65.9 Å²	65.9	58%	0.576	33%	0.334	S	S	*	.	H	α-helix	trans	-71	-38	178.2	-76.7	-65.4	0	0	0	112.8	I791 A792 F793 R799	I791-Y795 HydrophobicContact CG2-CD2 3.8Å; I791-Y795 HydrophobicContact CG2-CE2 3.7Å; I791-Y795 VanDerWaalsContact O-CD2 3.27Å; I791-Y795 WeakPolarHBondContact O-CD2 3.48Å; I791-Y795 PolarHBondContact O-N 2.79Å; A792-Y795 PolarHBondContact O-N 3.44Å; F793-Y795 PolarHBondContact O-N 3.42Å; Y795-R799 WeakPolarHBondContact O-CB 3.39Å; Y795-R799 PolarHBondContact O-N 3.37Å
796	Y	76.3	Confident	68.3	Low	70 Å²	70	70.1 Å²	70.1	28%	0.275	37%	0.365	S	S	.	.	H	α-helix	trans	-61.3	-48.8	172.2	175.2	-102	0	0	0	111.6	L574 P610 A792 F793 R799 K800	L574-Y796 HydrophobicContact CD2-CE2 4.25Å; P610-Y796 HydrophobicContact CB-CD1 3.75Å; P610-Y796 HydrophobicContact CB-CE1 3.81Å; P610-Y796 HydrophobicContact CB-CG 4.17Å; P610-Y796 HydrophobicContact CG-CD1 3.99Å; P610-Y796 HydrophobicContact CG-CD2 3.99Å; P610-Y796 HydrophobicContact CG-CE1 3.88Å; P610-Y796 HydrophobicContact CG-CE2 3.88Å; P610-Y796 HydrophobicContact CG-CG 4.05Å; A792-Y796 WeakPolarHBondContact O-CB 3.4Å; A792-Y796 PolarHBondContact O-N 3.08Å; F793-Y796 HydrophobicContact CD2-CD1 4.41Å; F793-Y796 HydrophobicContact CE2-CD1 4.38Å; F793-Y796 PolarHBondContact O-N 2.9Å; Y796-R799 PolarHBondContact O-N 3.27Å; Y796-K800 HydrophobicContact CE1-CG 4.44Å; Y796-K800 PolarHBondContact O-N 3.18Å
797	W	76.7	Confident	65.6	Low	84 Å²	84	71.7 Å²	71.7	32%	0.318	38%	0.378	S	S	.	.	H	α-helix	trans	-64.2	-42.1	178.1	-178	72.1	0	0	0	112.1	L625 F793 R799 K800 G801 F831	L625-W797 HydrophobicContact CD1-CE3 4.39Å; L625-W797 HydrophobicContact CD1-CZ3 4.22Å; F793-W797 HydrophobicContact CD1-CB 4.44Å; F793-W797 HydrophobicContact CE1-CB 4.16Å; F793-W797 HydrophobicContact CE1-CG 4.47Å; F793-W797 WeakPolarHBondContact O-CB 3.16Å; F793-W797 PolarHBondContact O-N 2.74Å; W797-R799 VanDerWaalsContact C-N 3.35Å; W797-R799 PolarHBondContact O-N 2.9Å; W797-K800 PolarHBondContact O-N 2.82Å; W797-G801 PolarHBondContact O-N 3.05Å; W797-F831 AromaticContact NE1-CD1 3.8Å; W797-F831 AromaticContact NE1-CE1 3.58Å
798	K	76.8	Confident	63	Low	118 Å²	118	75.7 Å²	75.7	51%	0.513	41%	0.407	S	S	.	.	H	α-helix	trans	-58.8	-46.1	172.4	-169.6	-167.8	176.5	-161	0	110.9	Y794 G801 T802	Y794-K798 VanDerWaalsContact O-CB 3.3Å; Y794-K798 WeakPolarHBondContact O-CB 3.44Å; Y794-K798 PolarHBondContact O-N 3.48Å; K798-G801 PolarHBondContact O-N 2.86Å; K798-T802 PolarHBondContact O-N 2.87Å; K798-T802 PolarHBondContact O-OG1 2.85Å
799	R	69.5	Low	60.6	Low	140 Å²	140	73 Å²	73	53%	0.528	41%	0.41	S	S	.	.	H	α-helix	trans	-65.4	-45.4	179.9	-173.9	178.5	-79.8	168.1	-7.4	112	Y795 Y796 W797 G801 T802 S803	Y795-R799 WeakPolarHBondContact O-CB 3.39Å; Y795-R799 PolarHBondContact O-N 3.37Å; Y796-R799 PolarHBondContact O-N 3.27Å; W797-R799 VanDerWaalsContact C-N 3.35Å; W797-R799 PolarHBondContact O-N 2.9Å; R799-G801 VanDerWaalsContact C-N 3.33Å; R799-G801 PolarHBondContact O-N 3.11Å; R799-T802 WeakPolarHBondContact CA-OG1 3.47Å; R799-T802 PolarHBondContact O-N 2.88Å; R799-T802 PolarHBondContact O-OG1 2.87Å; R799-S803 PolarHBondContact O-N 3.17Å; R799-S803 PolarHBondContact O-OG 3.43Å
800	K	64.5	Low	57.8	Low	57 Å²	57	77.5 Å²	77.5	25%	0.248	45%	0.446	C	S	.	.	H	α-helix	trans	-58.7	-43.5	173.6	-104.9	-76.1	-171.3	176.6	0	111.2	E566 Y796 W797 T802 S803 S804	E566-K800 IonicContact OE1-NZ 3.95Å; E566-K800 PolarHBondContact OE1-NZ 3.29Å; Y796-K800 HydrophobicContact CE1-CG 4.44Å; Y796-K800 PolarHBondContact O-N 3.18Å; W797-K800 PolarHBondContact O-N 2.82Å; K800-T802 VanDerWaalsContact C-N 3.34Å; K800-T802 PolarHBondContact O-N 2.72Å; K800-S803 WeakPolarHBondContact CA-OG 3.36Å; K800-S803 PolarHBondContact O-N 2.93Å; K800-S803 PolarHBondContact O-OG 3Å; K800-S804 WeakPolarHBondContact O-CB 3.35Å; K800-S804 PolarHBondContact O-N 2.9Å; K800-S804 PolarHBondContact O-OG 2.89Å; K800-S804 VanDerWaalsContact O-OG 3.12Å
801	G	51.6	Low	55.1	Low	27 Å²	27	81.3 Å²	81.3	28%	0.278	48%	0.477	S	S	.	.	H	α-helix	trans	-66.9	-28	178	0	0	0	0	0	114.8	W797 K798 R799 S804 C805	W797-G801 PolarHBondContact O-N 3.05Å; K798-G801 PolarHBondContact O-N 2.86Å; R799-G801 VanDerWaalsContact C-N 3.33Å; R799-G801 PolarHBondContact O-N 3.11Å; G801-S804 PolarHBondContact O-OG 3.49Å; G801-C805 PolarHBondContact O-SG 3.49Å
802	T	44.8	Very low	52.3	Low	77 Å²	77	83.6 Å²	83.6	47%	0.472	50%	0.499	S	S	.	.	H	α-helix	trans	-84.7	-22.6	170.5	49.5	0	0	0	0	113.7	K798 R799 K800 C805 S806	K798-T802 PolarHBondContact O-N 2.87Å; K798-T802 PolarHBondContact O-OG1 2.85Å; R799-T802 WeakPolarHBondContact CA-OG1 3.47Å; R799-T802 PolarHBondContact O-N 2.88Å; R799-T802 PolarHBondContact O-OG1 2.87Å; K800-T802 VanDerWaalsContact C-N 3.34Å; K800-T802 PolarHBondContact O-N 2.72Å; T802-C805 PolarHBondContact O-SG 2.88Å; T802-C805 VanDerWaalsContact O-SG 3.41Å; T802-S806 PolarHBondContact O-OG 3.35Å
803	S	38.9	Very low	49.8	Very low	53 Å²	53	88.1 Å²	88.1	37%	0.371	51%	0.513	S	S	.	.	H	α-helix	trans	-82.8	-33.9	174.6	57.1	0	0	0	0	112.4	R799 K800 C805 S806 S807	R799-S803 PolarHBondContact O-N 3.17Å; R799-S803 PolarHBondContact O-OG 3.43Å; K800-S803 WeakPolarHBondContact CA-OG 3.36Å; K800-S803 PolarHBondContact O-N 2.93Å; K800-S803 PolarHBondContact O-OG 3Å; S803-C805 PolarHBondContact O-N 2.87Å; S803-C805 VanDerWaalsContact O-N 3.08Å; S803-S806 CarbonylContact O-C 3.27Å; S803-S806 PolarHBondContact O-N 3.31Å; S803-S807 PolarHBondContact O-N 2.88Å; S803-S807 PolarHBondContact O-OG 2.94Å
804	S	37.9	Very low	47.2	Very low	63 Å²	63	93.3 Å²	93.3	44%	0.441	55%	0.55	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.1	1.8	178.4	60.3	0	0	0	0	114.7	K800 G801	K800-S804 WeakPolarHBondContact O-CB 3.35Å; K800-S804 PolarHBondContact O-N 2.9Å; K800-S804 PolarHBondContact O-OG 2.89Å; K800-S804 VanDerWaalsContact O-OG 3.12Å; G801-S804 PolarHBondContact O-OG 3.49Å
805	C	30.4	Very low	44.4	Very low	78 Å²	78	95.1 Å²	95.1	53%	0.527	58%	0.58	S	S	.	*	T	Hydrogen-bonded Turn	trans	-119	6	166.9	54	0	0	0	0	113.2	G801 T802 S803 V827	G801-C805 PolarHBondContact O-SG 3.49Å; T802-C805 PolarHBondContact O-SG 2.88Å; T802-C805 VanDerWaalsContact O-SG 3.41Å; S803-C805 PolarHBondContact O-N 2.87Å; S803-C805 VanDerWaalsContact O-N 3.08Å; C805-V827 HydrophobicContact CB-CG1 4.4Å
806	S	30.4	Very low	41.9	Very low	97 Å²	97	94.8 Å²	94.8	68%	0.678	59%	0.593	S	S	*	*	S	Bend	trans	-125.4	8.9	-178.3	-55.2	0	0	0	0	112.9	T802 S803	T802-S806 PolarHBondContact O-OG 3.35Å; S803-S806 CarbonylContact O-C 3.27Å; S803-S806 PolarHBondContact O-N 3.31Å
807	S	28	Very low	39.6	Very low	93 Å²	93	95.3 Å²	95.3	65%	0.65	62%	0.62	S	S	*	*			trans	-112.2	57.3	179.8	64	0	0	0	0	111.3	S803	S803-S807 PolarHBondContact O-N 2.88Å; S803-S807 PolarHBondContact O-OG 2.94Å
808	S	28.9	Very low	37.3	Very low	108 Å²	108	95.2 Å²	95.2	76%	0.755	65%	0.645	S	S	*	*	S	Bend	trans	-146.5	113.4	174.3	-66.3	0	0	0	0	109.7
809	S	30.2	Very low	34.8	Very low	114 Å²	114	93.9 Å²	93.9	80%	0.797	67%	0.665	S	S	*	*			trans	59.8	90.8	167.9	-48.9	0	0	0	0	117	A811	S809-A811 VanDerWaalsContact C-N 3.33Å; S809-A811 PolarHBondContact O-N 3.35Å
810	S	26	Very low	32.8	Very low	133 Å²	133	90.1 Å²	90.1	93%	0.93	67%	0.67	S	S	*	*			trans	-63	92	148.6	49.5	0	0	0	0	109.9
811	A	28.6	Very low	31	Very low	79 Å²	79	96.9 Å²	96.9	65%	0.653	70%	0.702	S	S	*	*			trans	-156.1	101.6	171.7	0	0	0	0	0	111.8	S809	S809-A811 VanDerWaalsContact C-N 3.33Å; S809-A811 PolarHBondContact O-N 3.35Å
812	S	26.5	Very low	29.8	Very low	110 Å²	110	99.4 Å²	99.4	77%	0.769	73%	0.727	S	S	*	*			trans	28.9	128.7	138	-44.1	0	0	0	0	121.4
813	I	29	Very low	29.1	Very low	155 Å²	155	98 Å²	98	80%	0.795	73%	0.729	S	S	*	*			trans	76.8	96.4	143.2	-57.5	160.8	0	0	0	117.9
814	S	27.5	Very low	28.5	Very low	121 Å²	121	103.9 Å²	103.9	85%	0.846	76%	0.755	S	S	*	*				36.1	120.5	124	-49.2	0	0	0	0	120.9
815	G	28.7	Very low	28.1	Very low	74 Å²	74	105.4 Å²	105.4	76%	0.763	77%	0.766	S	S	*	*			trans	175.5	53.3	167.7	0	0	0	0	0	122.4
816	V	28.9	Very low	28.1	Very low	139 Å²	139	103.9 Å²	103.9	84%	0.842	76%	0.756	S	S	*	*			trans	47	101.7	151.6	-169.4	0	0	0	0	119.8
817	G	27.3	Very low	28.1	Very low	82 Å²	82	102.5 Å²	102.5	85%	0.845	74%	0.743	S	S	*	*				61.8	92.3	119.8	0	0	0	0	0	120.6
818	G	28.1	Very low	28.5	Very low	82 Å²	82	101.5 Å²	101.5	85%	0.845	74%	0.741	S	S	*	*			trans	-150.2	87.6	165.1	0	0	0	0	0	112.3
819	G	26.2	Very low	28.7	Very low	90 Å²	90	98.3 Å²	98.3	93%	0.928	72%	0.721	S	S	*	*			trans	-75.5	153.2	-171.4	0	0	0	0	0	115.4
820	G	26.4	Very low	29	Very low	61 Å²	61	97.7 Å²	97.7	63%	0.629	71%	0.709	S	S	*	*			trans	169.4	125.7	169.9	0	0	0	0	0	115
821	H	27	Very low	29.3	Very low	199 Å²	199	94.8 Å²	94.8	92%	0.921	68%	0.679	S	S	*	*			trans	60.5	88.5	149.2	-52.5	-74.4	0	0	0	120.3
822	G	26.7	Very low	29.6	Very low	79 Å²	79	93.1 Å²	93.1	81%	0.814	67%	0.666	S	S	*	*			trans	86.8	179.6	140.1	0	0	0	0	0	117.5
823	G	29	Very low	30.1	Very low	49 Å²	49	91.9 Å²	91.9	51%	0.505	65%	0.653	S	S	.	*			trans	110.7	-23.1	163.3	0	0	0	0	0	117.7	S825 S826	G823-S825 PolarHBondContact O-N 3.41Å; G823-S826 WeakPolarHBondContact O-CA 3.43Å; G823-S826 WeakPolarHBondContact O-CB 3.41Å; G823-S826 PolarHBondContact O-N 2.96Å; G823-S826 PolarHBondContact O-OG 3.4Å
824	L	26.2	Very low	30.4	Very low	176 Å²	176	86.9 Å²	86.9	92%	0.921	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	35	-168.7	-61.8	-177	0	0	0	117.3
825	S	29.5	Very low	30.9	Very low	95 Å²	95	83 Å²	83	66%	0.664	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.4	-7.7	150.1	-165.5	0	0	0	0	111.5	G823 V827 A829	G823-S825 PolarHBondContact O-N 3.41Å; S825-V827 PolarHBondContact O-N 3.18Å; S825-A829 WeakPolarHBondContact O-CB 3.45Å; S825-A829 PolarHBondContact O-N 2.93Å
826	S	31.5	Very low	31.1	Very low	45 Å²	45	82.7 Å²	82.7	32%	0.315	59%	0.589	S	S	.	*	H	α-helix	trans	-73.9	-19.1	-169.3	73.7	0	0	0	0	114.7	G823 A829 N830	G823-S826 WeakPolarHBondContact O-CA 3.43Å; G823-S826 WeakPolarHBondContact O-CB 3.41Å; G823-S826 PolarHBondContact O-N 2.96Å; G823-S826 PolarHBondContact O-OG 3.4Å; S826-A829 CarbonylContact O-C 3.55Å; S826-N830 WeakPolarHBondContact O-CA 3.35Å; S826-N830 WeakPolarHBondContact O-CB 3.4Å; S826-N830 PolarHBondContact O-N 3.28Å; S826-N830 PolarHBondContact O-ND2 3.02Å; S826-N830 PolarHBondContact O-OD1 3.45Å
827	V	30.9	Very low	31.4	Very low	68 Å²	68	78.3 Å²	78.3	41%	0.412	57%	0.568	S	S	.	*	H	α-helix	trans	-74.1	-42.7	176.5	-174.5	0	0	0	0	110.4	C805 S825 N830 F831	C805-V827 HydrophobicContact CB-CG1 4.4Å; S825-V827 PolarHBondContact O-N 3.18Å; V827-N830 PolarHBondContact O-N 2.64Å; V827-F831 PolarHBondContact O-N 2.65Å
828	A	34.9	Very low	31.7	Very low	73 Å²	73	78.8 Å²	78.8	60%	0.603	56%	0.564	S	S	*	*	H	α-helix	trans	-68.4	-38.3	171.4	0	0	0	0	0	111.6	A832	A828-A832 WeakPolarHBondContact O-CB 3.41Å; A828-A832 PolarHBondContact O-N 2.93Å
829	A	33.3	Very low	31.9	Very low	40 Å²	40	78.2 Å²	78.2	33%	0.331	54%	0.544	S	S	.	.	H	α-helix	trans	-71.9	-29.8	174.8	0	0	0	0	0	112.9	S825 S826 A832 T833	S825-A829 WeakPolarHBondContact O-CB 3.45Å; S825-A829 PolarHBondContact O-N 2.93Å; S826-A829 CarbonylContact O-C 3.55Å; A829-A832 CarbonylContact O-C 3.24Å; A829-A832 PolarHBondContact O-N 2.93Å; A829-T833 WeakPolarHBondContact O-CA 3.41Å; A829-T833 WeakPolarHBondContact O-CB 3.48Å; A829-T833 PolarHBondContact O-N 3.36Å; A829-T833 PolarHBondContact O-OG1 2.9Å
830	N	36.5	Very low	32	Very low	102 Å²	102	80.6 Å²	80.6	55%	0.545	53%	0.531	S	S	.	.	H	α-helix	trans	-80.1	-30.5	178.2	-72.9	-0.6	0	0	0	111.3	S826 V827 A834	S826-N830 WeakPolarHBondContact O-CA 3.35Å; S826-N830 WeakPolarHBondContact O-CB 3.4Å; S826-N830 PolarHBondContact O-N 3.28Å; S826-N830 PolarHBondContact O-ND2 3.02Å; S826-N830 PolarHBondContact O-OD1 3.45Å; V827-N830 PolarHBondContact O-N 2.64Å; N830-A834 WeakPolarHBondContact O-CA 3.42Å; N830-A834 WeakPolarHBondContact O-CB 3.45Å; N830-A834 PolarHBondContact O-N 2.96Å
831	F	32.6	Very low	32.1	Very low	71 Å²	71	85 Å²	85	31%	0.311	54%	0.54	S	S	.	.	H	α-helix	trans	-71.8	-36.9	166.6	-166.1	-96.8	0	0	0	111.4	W797 V827 A834 V835	W797-F831 AromaticContact NE1-CD1 3.8Å; W797-F831 AromaticContact NE1-CE1 3.58Å; V827-F831 PolarHBondContact O-N 2.65Å; F831-A834 PolarHBondContact O-N 2.91Å; F831-V835 HydrophobicContact CD1-CG2 4.02Å; F831-V835 HydrophobicContact CE1-CG2 3.59Å; F831-V835 HydrophobicContact CE2-CG2 4.33Å; F831-V835 HydrophobicContact CZ-CG2 3.76Å; F831-V835 WeakPolarHBondContact O-CB 3.46Å; F831-V835 WeakPolarHBondContact O-CG2 3.5Å; F831-V835 PolarHBondContact O-N 2.89Å
832	A	34.9	Very low	32.1	Very low	45 Å²	45	80.6 Å²	80.6	37%	0.372	53%	0.527	S	S	.	.	H	α-helix	trans	-63.4	-41.6	171	0	0	0	0	0	111.9	A828 A829 V835 V836	A828-A832 WeakPolarHBondContact O-CB 3.41Å; A828-A832 PolarHBondContact O-N 2.93Å; A829-A832 CarbonylContact O-C 3.24Å; A829-A832 PolarHBondContact O-N 2.93Å; A832-V835 CarbonylContact O-C 3.58Å; A832-V835 PolarHBondContact O-N 3.29Å; A832-V836 WeakPolarHBondContact O-CB 3.26Å; A832-V836 WeakPolarHBondContact O-CG2 3.27Å; A832-V836 PolarHBondContact O-N 2.87Å
833	T	37.9	Very low	32.1	Very low	83 Å²	83	84 Å²	84	51%	0.509	53%	0.526	S	S	.	.	H	α-helix	trans	-75.4	-25.9	177.2	-61.4	0	0	0	0	111.8	A829 V836 A837	A829-T833 WeakPolarHBondContact O-CA 3.41Å; A829-T833 WeakPolarHBondContact O-CB 3.48Å; A829-T833 PolarHBondContact O-N 3.36Å; A829-T833 PolarHBondContact O-OG1 2.9Å; T833-V836 CarbonylContact O-C 3.23Å; T833-V836 PolarHBondContact O-N 2.91Å; T833-A837 WeakPolarHBondContact O-CA 3.25Å; T833-A837 WeakPolarHBondContact O-CB 3.4Å; T833-A837 PolarHBondContact O-N 3.46Å
834	A	33.8	Very low	31.9	Very low	51 Å²	51	87.8 Å²	87.8	42%	0.421	54%	0.54	S	S	.	.	H	α-helix	trans	-74.8	-37.8	169.4	0	0	0	0	0	111.5	N830 F831 V836 A837 A838	N830-A834 WeakPolarHBondContact O-CA 3.42Å; N830-A834 WeakPolarHBondContact O-CB 3.45Å; N830-A834 PolarHBondContact O-N 2.96Å; F831-A834 PolarHBondContact O-N 2.91Å; A834-V836 PolarHBondContact O-N 3.43Å; A834-A837 PolarHBondContact O-N 3.47Å; A834-A838 WeakPolarHBondContact O-CB 3.29Å; A834-A838 PolarHBondContact O-N 2.85Å
835	V	37.8	Very low	32	Very low	38 Å²	38	85.3 Å²	85.3	23%	0.23	53%	0.532	C	S	.	.	H	α-helix	trans	-80.3	6.4	171.8	179.4	0	0	0	0	112.4	T615 R619 F831 A832	T615-V835 HydrophobicContact CG2-CG1 4.08Å; R619-V835 PolarHBondContact NH2-O 3.15Å; F831-V835 HydrophobicContact CD1-CG2 4.02Å; F831-V835 HydrophobicContact CE1-CG2 3.59Å; F831-V835 HydrophobicContact CE2-CG2 4.33Å; F831-V835 HydrophobicContact CZ-CG2 3.76Å; F831-V835 WeakPolarHBondContact O-CB 3.46Å; F831-V835 WeakPolarHBondContact O-CG2 3.5Å; F831-V835 PolarHBondContact O-N 2.89Å; A832-V835 CarbonylContact O-C 3.58Å; A832-V835 PolarHBondContact O-N 3.29Å
836	V	35	Very low	31.8	Very low	68 Å²	68	87.6 Å²	87.6	41%	0.412	54%	0.543	S	S	.	.	H	α-helix	trans	-114.3	-34.8	167.2	166.6	0	0	0	0	111.2	A832 T833 A834 T839 H840	A832-V836 WeakPolarHBondContact O-CB 3.26Å; A832-V836 WeakPolarHBondContact O-CG2 3.27Å; A832-V836 PolarHBondContact O-N 2.87Å; T833-V836 CarbonylContact O-C 3.23Å; T833-V836 PolarHBondContact O-N 2.91Å; A834-V836 PolarHBondContact O-N 3.43Å; V836-T839 WeakPolarHBondContact CA-OG1 3.11Å; V836-T839 CarbonylContact O-C 3.15Å; V836-T839 VanDerWaalsContact O-CA 3.31Å; V836-T839 WeakPolarHBondContact O-CA 2.98Å; V836-T839 PolarHBondContact O-N 3.22Å; V836-T839 PolarHBondContact O-OG1 2.8Å; V836-H840 WeakPolarHBondContact O-CB 3.43Å; V836-H840 PolarHBondContact O-CD2 3.44Å; V836-H840 PolarHBondContact O-N 3.16Å
837	A	33.7	Very low	31.7	Very low	48 Å²	48	90.8 Å²	90.8	40%	0.397	57%	0.565	S	S	.	*	H	α-helix	trans	-79.5	-34.4	176.7	0	0	0	0	0	112.7	T833 A834 T839 H840 N841	T833-A837 WeakPolarHBondContact O-CA 3.25Å; T833-A837 WeakPolarHBondContact O-CB 3.4Å; T833-A837 PolarHBondContact O-N 3.46Å; A834-A837 PolarHBondContact O-N 3.47Å; A837-T839 PolarHBondContact O-N 2.86Å; A837-T839 VanDerWaalsContact O-N 3.09Å; A837-H840 CarbonylContact O-C 3.46Å; A837-H840 VanDerWaalsContact O-C 3.23Å; A837-H840 PolarHBondContact O-N 2.94Å; A837-N841 PolarHBondContact O-N 3.14Å
838	A	34	Very low	31.7	Very low	91 Å²	91	94.9 Å²	94.9	75%	0.752	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	9.1	159.8	0	0	0	0	0	112.5	A834	A834-A838 WeakPolarHBondContact O-CB 3.29Å; A834-A838 PolarHBondContact O-N 2.85Å
839	T	33.4	Very low	31.3	Very low	70 Å²	70	98.7 Å²	98.7	43%	0.429	60%	0.601	S	S	.	*	T	Hydrogen-bonded Turn	trans	-130	23.1	159.8	63.1	0	0	0	0	112	R619 V836 A837	R619-T839 PolarHBondContact NH2-OG1 2.97Å; V836-T839 WeakPolarHBondContact CA-OG1 3.11Å; V836-T839 CarbonylContact O-C 3.15Å; V836-T839 VanDerWaalsContact O-CA 3.31Å; V836-T839 WeakPolarHBondContact O-CA 2.98Å; V836-T839 PolarHBondContact O-N 3.22Å; V836-T839 PolarHBondContact O-OG1 2.8Å; A837-T839 PolarHBondContact O-N 2.86Å; A837-T839 VanDerWaalsContact O-N 3.09Å
840	H	27.4	Very low	31	Very low	141 Å²	141	101.5 Å²	101.5	65%	0.653	62%	0.624	S	S	*	*	S	Bend	trans	-152.2	56.3	177.6	-89.7	-72.3	0	0	0	110.7	V836 A837	V836-H840 WeakPolarHBondContact O-CB 3.43Å; V836-H840 PolarHBondContact O-CD2 3.44Å; V836-H840 PolarHBondContact O-N 3.16Å; A837-H840 CarbonylContact O-C 3.46Å; A837-H840 VanDerWaalsContact O-C 3.23Å; A837-H840 PolarHBondContact O-N 2.94Å
841	N	27.5	Very low	30.4	Very low	152 Å²	152	101.3 Å²	101.3	81%	0.813	64%	0.636	S	S	*	*	S	Bend	trans	-166.3	49.7	160.2	-109	-3.2	0	0	0	113.9	A837	A837-N841 PolarHBondContact O-N 3.14Å
842	T	28.5	Very low	30.1	Very low	107 Å²	107	99.9 Å²	99.9	66%	0.656	64%	0.642	S	S	*	*			trans	-152.6	57.2	164	14.9	0	0	0	0	110.3
843	D	25.1	Very low	29.7	Very low	150 Å²	150	101 Å²	101	80%	0.802	65%	0.652	S	S	*	*			trans	-76.9	157.3	155.7	-101.1	-51.7	0	0	0	109.4
844	T	25.7	Very low	29.1	Very low	130 Å²	130	102.8 Å²	102.8	80%	0.798	66%	0.658	S	S	*	*			trans	70.9	134.5	-174.7	81.6	0	0	0	0	113.9
845	T	27.3	Very low	28.7	Very low	123 Å²	123	106 Å²	106	76%	0.755	67%	0.668	S	S	*	*			cis	-136.4	135.1	9.8	51.6	0	0	0	0	113.3
846	T	26.5	Very low	28.1	Very low	143 Å²	143	110.4 Å²	110.4	88%	0.877	69%	0.69	S	S	*	*			trans	-117.3	85.9	156.5	41.3	0	0	0	0	110.6	N848	T846-N848 PolarHBondContact O-N 2.81Å
847	S	28.2	Very low	27.8	Very low	113 Å²	113	114.9 Å²	114.9	79%	0.79	71%	0.706	S	S	*	*			trans	-72.8	113.7	169.1	56.2	0	0	0	0	110
848	N	31.5	Very low	27.5	Very low	154 Å²	154	118.9 Å²	118.9	82%	0.824	72%	0.719	S	S	*	*			trans	-151	92.7	177.6	-132.3	-8.4	0	0	0	112.5	T846	T846-N848 PolarHBondContact O-N 2.81Å
849	T	26.5	Very low	27.6	Very low	152 Å²	152	118.6 Å²	118.6	93%	0.933	71%	0.71	S	S	*	*			trans	-159.8	146.8	150	-7	0	0	0	0	112
850	A	26.6	Very low	27.5	Very low	99 Å²	99	124.6 Å²	124.6	82%	0.818	73%	0.731	S	S	*	*			trans	-93.3	145.1	-168.8	0	0	0	0	0	114.4
851	A	25.1	Very low	27.5	Very low	98 Å²	98	122.2 Å²	122.2	81%	0.81	73%	0.73	S	S	*	*			trans	-172.2	165.2	137.3	0	0	0	0	0	108.1
852	G	26.5	Very low	27.8	Very low	42 Å²	42	122.3 Å²	122.3	43%	0.433	73%	0.729	S	S	.	*			trans	163.4	-63.8	167.1	0	0	0	0	0	116.5	P2402 S2403	G852-P2402 CarbonylContact C-O 3.45Å; G852-P2402 WeakPolarHBondContact CA-O 3.04Å; G852-S2403 VanDerWaalsContact CA-O 3.24Å; G852-S2403 WeakPolarHBondContact CA-O 3.27Å
853	A	25.8	Very low	27.9	Very low	69 Å²	69	122.5 Å²	122.5	57%	0.57	74%	0.735	S	S	*	*			trans	71	157.2	178.7	0	0	0	0	0	118.3
854	N	24.8	Very low	28.2	Very low	119 Å²	119	118.5 Å²	118.5	64%	0.636	73%	0.73	S	S	*	*			trans	79.2	118.5	154	-65.1	-22.4	0	0	0	121.2
855	N	26.3	Very low	28.5	Very low	118 Å²	118	119.7 Å²	119.7	63%	0.631	73%	0.731	S	S	*	*			trans	80.1	96.8	133	-64	-23.1	0	0	0	121.2
856	N	25.5	Very low	28.5	Very low	131 Å²	131	119.2 Å²	119.2	70%	0.701	73%	0.728	S	S	*	*				69.2	163.4	115.4	-59.2	-32.7	0	0	0	121.5
857	H	27.4	Very low	28.7	Very low	162 Å²	162	117.8 Å²	117.8	75%	0.75	72%	0.719	S	S	*	*			trans	75.4	127.2	179.4	-82	-114.1	0	0	0	117
858	I	27.1	Very low	28.7	Very low	132 Å²	132	118.3 Å²	118.3	68%	0.677	72%	0.718	S	S	*	*			cis	89.9	137.9	38	-71	166.7	0	0	0	110.8
859	P	36.7	Very low	28.7	Very low	86 Å²	86	115.9 Å²	115.9	56%	0.558	71%	0.711	S	S	*	*			cis	-147.9	-170.7	-6.7	41	-21.2	0	0	0	118.6
860	F	31	Very low	28.5	Very low	196 Å²	196	117.1 Å²	117.1	86%	0.86	70%	0.703	S	S	*	*			trans	69.1	155.7	146.8	-65.9	-35.8	0	0	0	120.2
861	S	28.4	Very low	28.4	Very low	91 Å²	91	119.5 Å²	119.5	64%	0.636	70%	0.697	S	S	*	*			cis	-172.5	152.7	-19.5	51.7	0	0	0	0	108
862	L	33.2	Very low	28.3	Very low	153 Å²	153	120.1 Å²	120.1	80%	0.801	70%	0.696	S	S	*	*				-165.8	146.8	55.4	-111	121.2	0	0	0	113.3
863	S	30.6	Very low	28.2	Very low	112 Å²	112	122 Å²	122	78%	0.783	71%	0.707	S	S	*	*			trans	35.1	135.7	147.5	61.6	0	0	0	0	124
864	G	32.5	Very low	28.1	Very low	66 Å²	66	125.8 Å²	125.8	68%	0.68	72%	0.718	S	S	*	*			cis	161.7	170.3	-8.5	0	0	0	0	0	116.8
865	N	30.4	Very low	28.3	Very low	155 Å²	155	126.6 Å²	126.6	83%	0.829	72%	0.722	S	S	*	*			trans	72.2	137.5	164.8	-62.8	-2	0	0	0	118.3
866	T	29	Very low	28.6	Very low	112 Å²	112	125.9 Å²	125.9	69%	0.687	72%	0.724	S	S	*	*			cis	-160.1	146.9	-0	4.4	0	0	0	0	113.3
867	T	29.2	Very low	28.6	Very low	114 Å²	114	126.5 Å²	126.5	70%	0.699	73%	0.727	S	S	*	*			trans	47.2	113.9	151.6	51.2	0	0	0	0	120.7
868	T	29.7	Very low	28.7	Very low	123 Å²	123	122.8 Å²	122.8	76%	0.755	73%	0.733	S	S	*	*				66.2	151.9	69	68.4	0	0	0	0	115.6
869	P	30	Very low	28.7	Very low	104 Å²	104	121.4 Å²	121.4	68%	0.675	74%	0.735	S	S	*	*			cis	-139.2	173.9	4.6	46.2	-30	0	0	0	116.6
870	F	23	Very low	28.5	Very low	178 Å²	178	121.3 Å²	121.3	78%	0.781	74%	0.742	S	S	*	*			trans	50.9	169.9	130.5	-77.9	-127.2	0	0	0	122.1
871	E	24	Very low	28.3	Very low	148 Å²	148	116.6 Å²	116.6	69%	0.692	72%	0.721	S	S	*	*			cis	-176.4	143.4	-32.9	177.8	178.8	-117.4	0	0	109.2
872	S	23.4	Very low	28.3	Very low	111 Å²	111	115 Å²	115	78%	0.776	71%	0.71	S	S	*	*			trans	61.8	161.4	158.5	-76.7	0	0	0	0	123.2
873	A	23.6	Very low	28.5	Very low	81 Å²	81	114.2 Å²	114.2	67%	0.669	71%	0.712	S	S	*	*			trans	89.4	108.1	153	0	0	0	0	0	121.1
874	N	23.9	Very low	28.5	Very low	150 Å²	150	111.9 Å²	111.9	80%	0.802	69%	0.688	S	S	*	*				66.3	91.5	129.5	-56.8	-14.6	0	0	0	120.7
875	N	29.3	Very low	28.4	Very low	135 Å²	135	113.9 Å²	113.9	72%	0.722	70%	0.698	S	S	*	*				-11.1	135.4	120.3	-162.8	23.6	0	0	0	114.5	N877	N875-N877 PolarHBondContact OD1-N 2.72Å; N875-N877 VanDerWaalsContact OD1-N 3.13Å
876	P	33.3	Very low	28.3	Very low	104 Å²	104	113.5 Å²	113.5	68%	0.675	69%	0.691	S	S	*	*				-143.8	138.9	92.1	36.8	-21.4	0	0	0	116.8
877	N	25.1	Very low	28.4	Very low	143 Å²	143	114.3 Å²	114.3	77%	0.765	69%	0.69	S	S	*	*				44.2	114.2	129.4	-49.3	-22.7	0	0	0	119.6	N875	N875-N877 PolarHBondContact OD1-N 2.72Å; N875-N877 VanDerWaalsContact OD1-N 3.13Å
878	G	29.7	Very low	28.3	Very low	85 Å²	85	114.3 Å²	114.3	88%	0.876	69%	0.69	S	S	*	*			trans	-168.3	48.4	172.9	0	0	0	0	0	115.6
879	S	27.1	Very low	28	Very low	102 Å²	102	113.3 Å²	113.3	71%	0.713	69%	0.688	S	S	*	*			trans	-86.4	122.1	-170.7	56.2	0	0	0	0	115.5
880	A	31.4	Very low	27.7	Very low	84 Å²	84	115 Å²	115	69%	0.694	70%	0.696	S	S	*	*			trans	-152.8	104.7	158.7	0	0	0	0	0	107.6
881	F	27	Very low	28.1	Very low	97 Å²	97	111.7 Å²	111.7	43%	0.425	70%	0.695	S	S	.	*			cis	60	90.8	26.2	-75.2	-108.1	0	0	0	110.7	A720 T721 L722	A720-F881 WeakPolarHBondContact O-CA 3.5Å; A720-F881 WeakPolarHBondContact O-CB 3.42Å; A720-F881 WeakPolarHBondContact O-CD1 3.3Å; A720-F881 WeakPolarHBondContact O-CD2 3.4Å; A720-F881 VanDerWaalsContact O-CE2 3.26Å; A720-F881 WeakPolarHBondContact O-CE2 3.45Å; A720-F881 WeakPolarHBondContact O-CG 3.2Å; A720-F881 PolarHBondContact O-N 2.64Å; T721-F881 VanDerWaalsContact CB-CE1 3.48Å; T721-F881 HydrophobicContact CG2-CD1 4.11Å; T721-F881 HydrophobicContact CG2-CE1 3.7Å; T721-F881 CarbonylContact O-C 3.54Å; T721-F881 WeakPolarHBondContact O-CA 3.29Å; T721-F881 WeakPolarHBondContact O-CB 3.39Å; T721-F881 WeakPolarHBondContact O-CD1 3.49Å; T721-F881 WeakPolarHBondContact O-CG 3.4Å; L722-F881 HydrophobicContact CB-CD1 3.7Å; L722-F881 HydrophobicContact CB-CE1 4.44Å; L722-F881 HydrophobicContact CD1-CD1 3.64Å; L722-F881 HydrophobicContact CD1-CE1 3.79Å; L722-F881 HydrophobicContact CG-CD1 3.59Å; L722-F881 HydrophobicContact CG-CE1 3.83Å
882	S	29.6	Very low	28.2	Very low	58 Å²	58	108.3 Å²	108.3	41%	0.406	68%	0.684	S	S	.	*				-159.1	150.6	52.7	-140.1	0	0	0	0	116.8	T721 L722 V723	T721-S882 WeakPolarHBondContact O-CA 3.46Å; T721-S882 WeakPolarHBondContact O-CB 3.29Å; T721-S882 PolarHBondContact O-N 3.42Å; T721-S882 PolarHBondContact O-OG 3.34Å; L722-S882 PolarHBondContact N-OG 3.05Å; L722-S882 WeakPolarHBondContact O-CB 3.26Å; L722-S882 PolarHBondContact O-OG 3.21Å; V723-S882 PolarHBondContact N-OG 3.38Å
883	T	36.4	Very low	28.3	Very low	137 Å²	137	110.8 Å²	110.8	84%	0.84	68%	0.681	S	S	*	*				-142.9	150.5	82	-17	0	0	0	0	113
884	Q	31.8	Very low	28.4	Very low	63 Å²	63	111 Å²	111	29%	0.294	67%	0.667	S	S	.	*			trans	-119.7	106.4	-158.8	-177.9	172.1	-22.4	0	0	114.6	T721 H886	T721-Q884 HydrophobicContact CG2-CB 4.44Å; T721-Q884 VanDerWaalsContact CG2-CD 3.47Å; T721-Q884 HydrophobicContact CG2-CG 3.96Å; Q884-H886 PolarHBondContact NE2-NE2 2.99Å
885	A	29.8	Very low	28.3	Very low	107 Å²	107	107.7 Å²	107.7	88%	0.884	64%	0.643	S	S	*	*			trans	-112.4	80.2	163.7	0	0	0	0	0	109.8
886	H	28.3	Very low	28	Very low	148 Å²	148	103.7 Å²	103.7	69%	0.685	62%	0.619	S	S	*	*			trans	6.6	115.4	178.7	-87	-95.2	0	0	0	120.6	Q884	Q884-H886 PolarHBondContact NE2-NE2 2.99Å
887	I	31.4	Very low	27.5	Very low	128 Å²	128	100.4 Å²	100.4	66%	0.656	60%	0.598	S	S	*	*			trans	-72.6	-173.3	164.7	-39.4	171.3	0	0	0	109.5
888	T	27.1	Very low	27.4	Very low	115 Å²	115	98.1 Å²	98.1	71%	0.706	59%	0.59	S	S	*	*			trans	78.3	98.7	162.1	52.2	0	0	0	0	119.2
889	S	23.8	Very low	27.2	Very low	101 Å²	101	99.2 Å²	99.2	71%	0.706	58%	0.575	S	S	*	*			trans	55.9	99.2	135.3	61.4	0	0	0	0	118.3
890	V	23.3	Very low	27.2	Very low	139 Å²	139	105 Å²	105	84%	0.842	58%	0.581	S	S	*	*			trans	-110.7	41.4	161.3	-160.6	0	0	0	0	111.1	V892	V890-V892 CarbonylContact C-O 3.39Å; V890-V892 WeakPolarHBondContact CA-O 3.45Å; V890-V892 WeakPolarHBondContact CG1-O 3.31Å
891	S	31.3	Very low	26.9	Very low	109 Å²	109	103.4 Å²	103.4	76%	0.762	57%	0.573	S	S	*	*	S	Bend	trans	-86	126.7	142	-78.2	0	0	0	0	105.6
892	V	24.8	Very low	26.9	Very low	77 Å²	77	102.4 Å²	102.4	47%	0.467	58%	0.577	S	S	.	*			trans	72.5	132	-150.4	-178	0	0	0	0	109.5	V890 K894	V890-V892 CarbonylContact C-O 3.39Å; V890-V892 WeakPolarHBondContact CA-O 3.45Å; V890-V892 WeakPolarHBondContact CG1-O 3.31Å; V892-K894 HydrophobicContact CB-CB 4.02Å; V892-K894 HydrophobicContact CB-CD 4.39Å; V892-K894 HydrophobicContact CG1-CB 3.61Å; V892-K894 HydrophobicContact CG1-CD 3.84Å; V892-K894 HydrophobicContact CG1-CG 4.38Å; V892-K894 HydrophobicContact CG2-CB 4.06Å; V892-K894 HydrophobicContact CG2-CD 3.77Å; V892-K894 HydrophobicContact CG2-CG 4.38Å
893	K	26.9	Very low	26.6	Very low	163 Å²	163	103.8 Å²	103.8	71%	0.709	58%	0.583	S	S	*	*			cis	-101.6	116.6	19.9	-61	162	-169.8	176.7	0	110.3
894	K	24.6	Very low	25.9	Very low	85 Å²	85	102.9 Å²	102.9	37%	0.37	57%	0.572	S	S	.	*			cis	63.4	42.8	42.9	-154.3	-173.6	-173.2	172.4	0	113.7	N648 V892	N648-K894 CarbonylContact C-O 3.42Å; N648-K894 WeakPolarHBondContact CA-O 3.38Å; N648-K894 HydrophobicContact CB-CD 4.47Å; N648-K894 PolarHBondContact N-O 3.26Å; N648-K894 VanDerWaalsContact N-O 3.17Å; N648-K894 CarbonylContact O-C 3.5Å; V892-K894 HydrophobicContact CB-CB 4.02Å; V892-K894 HydrophobicContact CB-CD 4.39Å; V892-K894 HydrophobicContact CG1-CB 3.61Å; V892-K894 HydrophobicContact CG1-CD 3.84Å; V892-K894 HydrophobicContact CG1-CG 4.38Å; V892-K894 HydrophobicContact CG2-CB 4.06Å; V892-K894 HydrophobicContact CG2-CD 3.77Å; V892-K894 HydrophobicContact CG2-CG 4.38Å
895	R	22.8	Very low	25.7	Very low	81 Å²	81	102.3 Å²	102.3	31%	0.306	57%	0.572	S	S	.	*			trans	66.7	-175.7	171.5	-16	104.3	127.8	-161.4	23.9	111.9	N647	N647-R895 VanDerWaalsContact O-CD 3.31Å; N647-R895 WeakPolarHBondContact O-CD 3.5Å; N647-R895 PolarHBondContact O-NH1 3.44Å
896	K	22.4	Very low	25.6	Very low	51 Å²	51	103.2 Å²	103.2	22%	0.222	56%	0.562	C	S	.	*			trans	166.1	118.1	144.1	-172.6	82.7	-87.7	177.8	0	111.4	V646 N647 N648 N650 D651	V646-K896 VanDerWaalsContact CB-O 3.26Å; V646-K896 WeakPolarHBondContact CB-O 3.24Å; N647-K896 VanDerWaalsContact CA-CA 3.42Å; N647-K896 WeakPolarHBondContact OD1-CE 3.12Å; N647-K896 PolarHBondContact OD1-NZ 3.37Å; N647-K896 VanDerWaalsContact OD1-NZ 3.08Å; N648-K896 PolarHBondContact OD1-NZ 2.88Å; N650-K896 HydrophobicContact CB-CD 3.82Å; N650-K896 PolarHBondContact O-NZ 3.23Å; D651-K896 IonicContact OD2-NZ 3.69Å; D651-K896 PolarHBondContact OD2-NZ 3.19Å
897	P	23.3	Very low	25.5	Very low	36 Å²	36	98.8 Å²	98.8	23%	0.234	55%	0.547	C	S	.	.			trans	-82.2	171.6	-134.9	43	-38	0	0	0	111.4	V646 N647	V646-P897 WeakPolarHBondContact O-CA 3.28Å; V646-P897 WeakPolarHBondContact O-CB 2.99Å; N647-P897 HydrophobicContact CB-CB 3.87Å; N647-P897 HydrophobicContact CB-CG 4.27Å; N647-P897 WeakPolarHBondContact OD1-CD 3.39Å
898	T	23.1	Very low	25.4	Very low	95 Å²	95	101 Å²	101	58%	0.583	55%	0.552	S	S	*	*			trans	66	151.6	150.1	74	0	0	0	0	116.4
899	N	25.2	Very low	25.5	Very low	107 Å²	107	100.5 Å²	100.5	57%	0.572	55%	0.551	S	S	*	*				52.8	123.4	106.1	-62.6	-41.2	0	0	0	119.1
900	R	27	Very low	25.5	Very low	224 Å²	224	101 Å²	101	85%	0.845	55%	0.55	S	S	*	.				69.5	163	128.5	-59.5	166.9	-165.1	179.8	-3.5	118.3
901	G	24.4	Very low	25.8	Very low	51 Å²	51	99.7 Å²	99.7	53%	0.526	55%	0.547	S	S	.	.			trans	97.4	72.3	-175.6	0	0	0	0	0	112.3
902	C	27.3	Very low	25.6	Very low	75 Å²	75	99 Å²	99	51%	0.507	54%	0.535	S	S	.	.				57.3	106	54.7	-51.7	0	0	0	0	111.2	S673	S673-C902 VanDerWaalsContact CA-O 3.23Å; S673-C902 WeakPolarHBondContact CA-O 3.36Å; S673-C902 PolarHBondContact OG-O 3.49Å
903	V	23	Very low	26	Very low	88 Å²	88	101.3 Å²	101.3	53%	0.533	55%	0.549	S	S	.	.			trans	-141.9	174.7	-171.1	-171.7	0	0	0	0	108.8	S674 Q675	S674-V903 CarbonylContact C-O 3.57Å; Q675-V903 CarbonylContact C-O 3.59Å; Q675-V903 VanDerWaalsContact CA-O 3.26Å; Q675-V903 WeakPolarHBondContact CA-O 3.39Å; Q675-V903 PolarHBondContact N-O 3.28Å
904	L	23.5	Very low	26.1	Very low	117 Å²	117	96.9 Å²	96.9	61%	0.613	53%	0.531	S	S	*	.			trans	-48.2	134.6	176.2	-85.1	70.5	0	0	0	112.2	S674	S674-L904 WeakPolarHBondContact O-CA 3.18Å
905	N	27.3	Very low	26.6	Very low	52 Å²	52	97.3 Å²	97.3	28%	0.278	54%	0.537	S	S	.	.			cis	64.7	123.9	43.4	-114.1	-27.5	0	0	0	113.8	Q675 V677	Q675-N905 PolarHBondContact N-ND2 3.1Å; Q675-N905 WeakPolarHBondContact O-CA 3.46Å; Q675-N905 VanDerWaalsContact O-CB 3.24Å; Q675-N905 WeakPolarHBondContact O-CB 3.07Å; Q675-N905 PolarHBondContact O-N 2.75Å; Q675-N905 PolarHBondContact O-ND2 3.45Å; V677-N905 WeakPolarHBondContact CB-OD1 3.08Å; V677-N905 VanDerWaalsContact CG2-OD1 3.27Å; V677-N905 WeakPolarHBondContact CG2-OD1 3.44Å
906	N	26.9	Very low	27.4	Very low	126 Å²	126	99.8 Å²	99.8	67%	0.674	55%	0.55	S	S	*	*				-155.8	123.6	65.8	-92.8	-80.6	0	0	0	111.2
907	S	26.3	Very low	27.9	Very low	55 Å²	55	104.2 Å²	104.2	39%	0.385	58%	0.575	S	S	.	*				75.3	137.7	80.5	86.7	0	0	0	0	113.1
908	K	29.4	Very low	28.3	Very low	175 Å²	175	110.7 Å²	110.7	76%	0.761	60%	0.603	S	S	*	*				-159.9	166.3	50.5	-79.3	-171.2	178.7	-179	0	112.1
909	P	28.1	Very low	28.4	Very low	104 Å²	104	111.2 Å²	111.2	68%	0.675	61%	0.61	S	S	*	*			cis	-141.4	174	-18	33.1	-12.3	0	0	0	117.1
910	T	25	Very low	28.5	Very low	112 Å²	112	113.1 Å²	113.1	69%	0.687	62%	0.619	S	S	*	*			trans	75.3	136.1	145.5	36.8	0	0	0	0	122.5
911	S	28.3	Very low	29.3	Very low	111 Å²	111	109.5 Å²	109.5	78%	0.776	62%	0.616	S	S	*	*			trans	46.1	84	171.2	53.7	0	0	0	0	114.9
912	N	28.8	Very low	29.8	Very low	95 Å²	95	112.2 Å²	112.2	51%	0.508	62%	0.624	S	S	.	*			cis	62.9	135	26.5	-53.6	57.4	0	0	0	112.9	E914	N912-E914 PolarHBondContact ND2-OE1 3.17Å
913	T	33	Very low	29.8	Very low	125 Å²	125	114.8 Å²	114.8	77%	0.767	63%	0.633	S	S	*	*			cis	-120.6	120.7	16.3	40.5	0	0	0	0	111.7
914	E	29.3	Very low	30.2	Very low	69 Å²	69	114.6 Å²	114.6	32%	0.322	63%	0.626	S	S	.	*				64.4	128.9	78.6	-69.4	174.5	-78.4	0	0	112.8	Q675 N912	Q675-E914 VanDerWaalsContact NE2-CD 3.33Å; Q675-E914 PolarHBondContact NE2-OE1 3.41Å; Q675-E914 PolarHBondContact NE2-OE2 2.8Å; N912-E914 PolarHBondContact ND2-OE1 3.17Å
915	D	33.9	Very low	30.4	Very low	94 Å²	94	114.7 Å²	114.7	50%	0.503	62%	0.623	S	S	.	*			cis	-165.5	159.4	4	-163.1	30.8	0	0	0	106.5
916	K	38.8	Very low	30.4	Very low	134 Å²	134	114.8 Å²	114.8	58%	0.583	62%	0.622	S	S	*	*			cis	-147.1	-105.1	18.5	-164.5	156.6	-140.3	67.3	0	116.1
917	L	34.6	Very low	30.3	Very low	144 Å²	144	112 Å²	112	75%	0.754	61%	0.613	S	S	*	*			trans	-156.9	149.3	-160.4	-80.4	169.7	0	0	0	117
918	E	30.1	Very low	30.3	Very low	172 Å²	172	115.4 Å²	115.4	80%	0.804	62%	0.622	S	S	*	*			trans	69	125.6	146.9	-76.8	177	-179.8	0	0	124.1
919	S	26.6	Very low	30.1	Very low	106 Å²	106	111.2 Å²	111.2	74%	0.741	61%	0.608	S	S	*	*			trans	84.9	98	154.8	59.1	0	0	0	0	122.5
920	I	27.6	Very low	30	Very low	146 Å²	146	112.9 Å²	112.9	75%	0.749	61%	0.606	S	S	*	*			trans	74.3	97.3	137.4	-54.3	170.8	0	0	0	118
921	D	44.1	Very low	30.2	Very low	148 Å²	148	111.3 Å²	111.3	79%	0.791	59%	0.594	S	S	*	*			trans	53.2	164.8	136.7	-45.2	-25.2	0	0	0	121.2
922	P	33.2	Very low	30.3	Very low	108 Å²	108	112.5 Å²	112.5	70%	0.701	59%	0.587	S	S	*	*			cis	-128.7	-172.1	-8.5	38.7	-20.2	0	0	0	114.4
923	N	27.5	Very low	30.2	Very low	129 Å²	129	113.4 Å²	113.4	69%	0.69	59%	0.592	S	S	*	*			trans	59.6	116.2	142.2	-80.5	15.5	0	0	0	123.6
924	H	31.7	Very low	30	Very low	85 Å²	85	113 Å²	113	39%	0.394	59%	0.585	S	S	.	*				58.8	108.9	109.8	-93.9	-3.4	0	0	0	120.6	S2113 S2114	H924-S2113 VanDerWaalsContact ND1-C 3.25Å; H924-S2113 PolarHBondContact ND1-O 3.17Å; H924-S2113 PolarHBondContact ND1-OG 3.42Å; H924-S2114 VanDerWaalsContact C-OG 3.31Å; H924-S2114 WeakPolarHBondContact CA-OG 3.42Å; H924-S2114 WeakPolarHBondContact CB-OG 3.41Å
925	H	27.3	Very low	30	Very low	118 Å²	118	116.6 Å²	116.6	55%	0.546	61%	0.605	S	S	.	*				-166.5	141.8	118.9	-123.3	-74.2	0	0	0	117.9	L2111 S2114	H925-L2111 WeakPolarHBondContact O-CD2 3.43Å; H925-S2114 WeakPolarHBondContact CA-OG 3.37Å; H925-S2114 VanDerWaalsContact CD2-CB 3.49Å; H925-S2114 WeakPolarHBondContact CD2-CB 3.47Å; H925-S2114 PolarHBondContact CD2-OG 3.24Å; H925-S2114 VanDerWaalsContact CD2-OG 3.3Å; H925-S2114 WeakPolarHBondContact CE1-CB 3.35Å; H925-S2114 VanDerWaalsContact NE2-CB 3.32Å; H925-S2114 WeakPolarHBondContact NE2-CB 3.37Å
926	E	27	Very low	29.8	Very low	54 Å²	54	115.4 Å²	115.4	25%	0.252	61%	0.609	S	S	.	*			trans	-51.8	168.6	160	-67.6	144.8	169.9	0	0	112.3	S2114 S2115	E926-S2114 PolarHBondContact OE1-N 2.96Å; E926-S2114 VanDerWaalsContact OE2-CB 3.25Å; E926-S2114 WeakPolarHBondContact OE2-CB 3.47Å; E926-S2115 WeakPolarHBondContact OE1-CA 3.27Å; E926-S2115 WeakPolarHBondContact OE1-CB 3.4Å; E926-S2115 PolarHBondContact OE1-N 3.06Å; E926-S2115 PolarHBondContact OE1-OG 3.49Å; E926-S2115 PolarHBondContact OE2-N 2.8Å
927	S	26.3	Very low	29.3	Very low	68 Å²	68	115.3 Å²	115.3	48%	0.476	62%	0.615	S	S	.	*			cis	-145	158.4	27.6	70.4	0	0	0	0	112.5	L2111	S927-L2111 WeakPolarHBondContact O-CD1 3.41Å
928	E	25.5	Very low	29.1	Very low	126 Å²	126	115.1 Å²	115.1	59%	0.589	61%	0.614	S	S	*	*				39.9	112	93.6	-35.7	-174.9	121.3	0	0	114.6	S2110	E928-S2110 WeakPolarHBondContact CA-OG 2.97Å; E928-S2110 WeakPolarHBondContact CG-OG 3.46Å
929	I	25.3	Very low	29.3	Very low	88 Å²	88	109.7 Å²	109.7	45%	0.451	61%	0.605	S	S	.	*				-122.3	134	88.2	-46.2	177.7	0	0	0	102.9	L2108 S2109	I929-L2108 HydrophobicContact CB-CB 4.17Å; I929-L2108 HydrophobicContact CB-CD1 3.86Å; I929-L2108 HydrophobicContact CB-CD2 3.93Å; I929-L2108 HydrophobicContact CB-CG 4.15Å; I929-L2108 HydrophobicContact CD1-CD1 4.34Å; I929-L2108 HydrophobicContact CD1-CD2 4.16Å; I929-L2108 HydrophobicContact CG1-CD2 4.25Å; I929-L2108 HydrophobicContact CG2-CD1 3.79Å; I929-L2108 CarbonylContact O-C 3.6Å; I929-L2108 VanDerWaalsContact O-C 3.27Å; I929-L2108 WeakPolarHBondContact O-CB 3.02Å; I929-S2109 CarbonylContact O-C 3.32Å; I929-S2109 WeakPolarHBondContact O-CA 3.44Å; I929-S2109 PolarHBondContact O-N 2.86Å
930	E	27.3	Very low	29.8	Very low	139 Å²	139	108.7 Å²	108.7	65%	0.65	59%	0.588	S	S	*	*				51.1	131.4	84.8	-101.8	174.6	163	0	0	114.5	L2108	E930-L2108 WeakPolarHBondContact O-CB 3.3Å
931	D	27.9	Very low	30.2	Very low	79 Å²	79	105.6 Å²	105.6	42%	0.422	57%	0.573	S	S	.	*			trans	84	126.8	153.8	-61.6	-10.1	0	0	0	123.5
932	Q	29.9	Very low	29.8	Very low	135 Å²	135	105.8 Å²	105.8	63%	0.631	57%	0.574	S	S	*	*			cis	-173.1	167.4	-5.6	-125.3	170.8	48.6	0	0	112.2
933	N	27.8	Very low	29.8	Very low	115 Å²	115	107.1 Å²	107.1	62%	0.615	58%	0.58	S	S	*	*			trans	67.9	142.2	144.7	-66.9	-4.1	0	0	0	121.2
934	D	27.5	Very low	30	Very low	117 Å²	117	107.9 Å²	107.9	63%	0.626	58%	0.584	S	S	*	*			cis	-169.7	165.5	-17.8	-130.3	-17.1	0	0	0	112.5
935	L	29.7	Very low	30.1	Very low	143 Å²	143	112.1 Å²	112.1	75%	0.749	61%	0.606	S	S	*	*			trans	57.3	146.8	146.6	-64.1	164.5	0	0	0	120.3
936	A	29.7	Very low	31.2	Very low	69 Å²	69	111.8 Å²	111.8	57%	0.57	61%	0.614	S	S	*	*			cis	-175	151	-5.4	0	0	0	0	0	114.3
937	N	29.3	Very low	31.3	Very low	133 Å²	133	116.2 Å²	116.2	71%	0.711	65%	0.645	S	S	*	*			trans	64.7	158.8	134.7	-61.7	2.4	0	0	0	122
938	N	30.4	Very low	31.3	Very low	139 Å²	139	118.4 Å²	118.4	74%	0.743	66%	0.656	S	S	*	*			cis	-168.6	168.2	-16.9	-97.3	-8	0	0	0	112.5
939	G	34	Very low	31.4	Very low	59 Å²	59	117.3 Å²	117.3	61%	0.608	66%	0.662	S	S	*	*			trans	106.6	176.1	158.9	0	0	0	0	0	118.6
940	H	37.3	Very low	31.4	Very low	85 Å²	85	117.9 Å²	117.9	39%	0.394	67%	0.674	S	S	.	*			cis	171.8	146.3	-20.6	-87.4	-47.2	0	0	0	108.4	H2247	H940-H2247 PolarHBondContact CD2-O 3Å
941	D	35	Very low	31.5	Very low	81 Å²	81	119 Å²	119	43%	0.433	68%	0.679	S	S	.	*			cis	-162.3	171.4	-8	-75.3	-36.8	0	0	0	110.5	H2247 L2248	D941-H2247 WeakPolarHBondContact OD2-CA 3.38Å; D941-H2247 PolarHBondContact OD2-N 2.69Å; D941-L2248 PolarHBondContact OD2-N 3.4Å
942	D	36.7	Very low	31.6	Very low	152 Å²	152	123.1 Å²	123.1	81%	0.813	69%	0.693	S	S	*	*			trans	63.6	172.8	162.6	-50.5	-28.8	0	0	0	120.2
943	V	32.4	Very low	31.6	Very low	136 Å²	136	121.5 Å²	121.5	82%	0.824	69%	0.693	S	S	*	*			cis	-155.7	-179	11.3	-135.1	0	0	0	0	113.8
944	D	32.4	Very low	31.7	Very low	145 Å²	145	122.3 Å²	122.3	78%	0.775	70%	0.697	S	S	*	*			trans	-84	-162.3	-175.5	-41.8	-104.4	0	0	0	118
945	M	34	Very low	31.7	Very low	174 Å²	174	124.2 Å²	124.2	86%	0.857	70%	0.702	S	S	*	*			cis	-167.4	168.7	16.3	-136.3	176.1	68.6	0	0	113
946	P	49.8	Very low	31.8	Very low	110 Å²	110	124.8 Å²	124.8	71%	0.714	70%	0.704	S	S	*	*			trans	-122.9	177.2	-170.4	43.2	-31.4	0	0	0	118.8
947	V	29.4	Very low	31.7	Very low	147 Å²	147	127.1 Å²	127.1	89%	0.891	71%	0.711	S	S	*	*			trans	-171.3	178.7	156.1	130.9	0	0	0	0	114.7
948	T	26.7	Very low	32.4	Very low	115 Å²	115	126.3 Å²	126.3	71%	0.706	71%	0.713	S	S	*	*			trans	-99.7	171.7	-143.4	58.7	0	0	0	0	122.2
949	S	26.4	Very low	32.1	Very low	103 Å²	103	125.9 Å²	125.9	72%	0.72	72%	0.716	S	S	*	*			trans	92.1	137.9	130.5	52.2	0	0	0	0	126
950	S	26.6	Very low	31.8	Very low	99 Å²	99	128 Å²	128	69%	0.692	72%	0.721	S	S	*	*			trans	84	118.7	150.8	-70.5	0	0	0	0	123.9
951	E	29.2	Very low	31.2	Very low	164 Å²	164	129.3 Å²	129.3	77%	0.766	74%	0.735	S	S	*	*				35.8	145.6	123.6	-61	-177.7	107	0	0	120.7
952	K	29.3	Very low	30.8	Very low	164 Å²	164	131.6 Å²	131.6	71%	0.713	75%	0.753	S	S	*	*			cis	-177.6	160.3	45.2	-142.3	178.5	-174.9	172.9	0	112.7
953	T	30	Very low	30.4	Very low	102 Å²	102	128.9 Å²	128.9	63%	0.626	75%	0.745	S	S	*	*			trans	29.7	145	141.4	52.5	0	0	0	0	122.1
954	D	30.4	Very low	30.2	Very low	131 Å²	131	127.4 Å²	127.4	70%	0.701	74%	0.741	S	S	*	*			cis	-146.7	156.2	10.2	-79	-43.3	0	0	0	109.7
955	E	28.1	Very low	30	Very low	158 Å²	158	124.1 Å²	124.1	74%	0.738	73%	0.734	S	S	*	*				46.5	127.2	87.3	-121.8	-166.9	165.1	0	0	115
956	I	29.9	Very low	29.7	Very low	155 Å²	155	123.3 Å²	123.3	80%	0.795	73%	0.733	S	S	*	*				-160.8	160.6	76.7	-86.1	166	0	0	0	113.3
957	T	27.5	Very low	28.7	Very low	117 Å²	117	122.1 Å²	122.1	72%	0.718	73%	0.727	S	S	*	*			trans	-76.9	176.1	-168.8	27.6	0	0	0	0	118.6
958	P	44.1	Very low	28.5	Very low	116 Å²	116	122.5 Å²	122.5	75%	0.753	72%	0.724	S	S	*	*			trans	-110.3	172	-163.8	42.6	-36.8	0	0	0	117.2
959	V	25.9	Very low	28.4	Very low	131 Å²	131	121.8 Å²	121.8	79%	0.794	72%	0.724	S	S	*	*			trans	-145.8	120.2	169.9	178.2	0	0	0	0	106.2
960	S	26.9	Very low	28.5	Very low	104 Å²	104	123.5 Å²	123.5	73%	0.727	73%	0.73	S	S	*	*				58.8	143.6	82	-68.3	0	0	0	0	113.8
961	T	25.7	Very low	28.5	Very low	112 Å²	112	123.7 Å²	123.7	69%	0.687	73%	0.731	S	S	*	*			cis	-167.6	161.8	1.9	9.8	0	0	0	0	109.3
962	T	26.1	Very low	28.5	Very low	129 Å²	129	126.6 Å²	126.6	79%	0.791	74%	0.735	S	S	*	*			trans	59.9	152.7	151.1	50.7	0	0	0	0	120.3
963	S	27.5	Very low	28.4	Very low	94 Å²	94	125 Å²	125	66%	0.657	73%	0.733	S	S	*	*			cis	-169.4	173.2	-17.4	52.8	0	0	0	0	110.1
964	S	28.9	Very low	28.8	Very low	105 Å²	105	126.6 Å²	126.6	73%	0.734	73%	0.728	S	S	*	*			trans	39.6	135.6	139.1	63.9	0	0	0	0	121
965	A	28.6	Very low	29.9	Very low	77 Å²	77	127.1 Å²	127.1	64%	0.636	72%	0.724	S	S	*	*			cis	-163.5	178.4	8.1	0	0	0	0	0	111
966	D	27.9	Very low	31.4	Very low	156 Å²	156	123.6 Å²	123.6	83%	0.834	70%	0.704	S	S	*	*			trans	60.5	146.1	145	-66.8	-22.7	0	0	0	121.5
967	S	27.2	Very low	33.8	Very low	85 Å²	85	119.4 Å²	119.4	59%	0.594	69%	0.686	S	S	*	*			cis	-162.2	176.5	-17.6	57	0	0	0	0	108.4
968	L	26.6	Very low	36.5	Very low	156 Å²	156	114.1 Å²	114.1	82%	0.817	65%	0.653	S	S	*	*			trans	49.1	108.9	158.8	-62.1	162.9	0	0	0	116.4
969	S	24.7	Very low	38.1	Very low	100 Å²	100	115.7 Å²	115.7	70%	0.699	64%	0.644	S	S	*	*				174.1	152.3	50.5	45.6	0	0	0	0	113.2
970	T	27	Very low	40.8	Very low	138 Å²	138	111.4 Å²	111.4	85%	0.847	62%	0.617	S	S	*	*			trans	17.4	97.4	153.9	57	0	0	0	0	120.2
971	S	26.7	Very low	43.6	Very low	103 Å²	103	108.2 Å²	108.2	72%	0.72	59%	0.594	S	S	*	*			trans	-159.3	158.4	136.8	61.5	0	0	0	0	112.8	L973	S971-L973 PolarHBondContact O-N 3.16Å
972	R	29.9	Very low	46.4	Very low	225 Å²	225	106.2 Å²	106.2	85%	0.849	59%	0.589	S	S	*	*			trans	-86.8	94.6	-174	-65.4	172.7	177.6	150.1	-2.5	111.9
973	L	27.7	Very low	49	Very low	130 Å²	130	103.5 Å²	103.5	68%	0.681	57%	0.572	S	S	*	*			trans	-90	111.8	159.4	-82.1	86.2	0	0	0	110.3	S971 K975	S971-L973 PolarHBondContact O-N 3.16Å; L973-K975 PolarHBondContact O-N 2.8Å
974	R	38.5	Very low	51.4	Low	137 Å²	137	104.1 Å²	104.1	52%	0.517	56%	0.564	S	S	.	*			trans	-73.8	106.1	160.5	-78.5	178.7	169	157.2	-5.1	107.4	R976 Y2275 S2276	R974-R976 PolarHBondContact O-N 3.05Å; R974-Y2275 VanDerWaalsContact NH1-CD1 3.29Å; R974-S2276 VanDerWaalsContact NH1-CB 3.33Å; R974-S2276 PolarHBondContact NH1-OG 2.9Å
975	K	53.5	Low	53.6	Low	142 Å²	142	100.9 Å²	100.9	62%	0.617	54%	0.538	S	S	*	.			trans	-43.3	124.9	166.5	-73.8	174.4	150	-149.4	0	108.9	L973 E984	L973-K975 PolarHBondContact O-N 2.8Å; K975-E984 WeakPolarHBondContact CD-OE1 3.24Å; K975-E984 VanDerWaalsContact CD-OE2 3.27Å; K975-E984 WeakPolarHBondContact CD-OE2 3.33Å; K975-E984 WeakPolarHBondContact CE-OE2 3.28Å; K975-E984 IonicContact NZ-OE1 2.69Å; K975-E984 PolarHBondContact NZ-OE1 2.78Å; K975-E984 IonicContact NZ-OE2 2.77Å; K975-E984 PolarHBondContact NZ-OE2 3.36Å
976	R	59.5	Low	55.2	Low	84 Å²	84	103.2 Å²	103.2	32%	0.317	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	124.1	174.5	-76.6	-172.4	-180	-151.4	5.7	106.9	R974 E984 L985	R974-R976 PolarHBondContact O-N 3.05Å; R976-E984 CarbonylContact O-C 3.6Å; R976-E984 WeakPolarHBondContact O-CA 3.4Å; R976-L985 HydrophobicContact CB-CB 3.91Å; R976-L985 HydrophobicContact CB-CD1 4.42Å; R976-L985 PolarHBondContact O-N 2.81Å
977	V	79.6	Confident	56	Low	67 Å²	67	99.6 Å²	99.6	41%	0.406	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	140.2	-178.7	-168.1	0	0	0	0	108.7	R979 A982 V983	V977-R979 PolarHBondContact O-N 2.92Å; V977-A982 VanDerWaalsContact CG1-C 3.42Å; V977-A982 HydrophobicContact CG1-CB 4.32Å; V977-A982 WeakPolarHBondContact CG1-O 3.35Å; V977-V983 CarbonylContact C-O 3.5Å
978	C	84.3	Confident	56.8	Low	5 Å²	5	103 Å²	103	3%	0.034	55%	0.551	C	S	.	*			trans	-57.3	125.4	172.4	-178.6	0	0	0	0	109.3	N980 C981 A982 V983 C1009	C978-N980 PolarHBondContact O-N 3.29Å; C978-N980 VanDerWaalsContact O-N 3.14Å; C978-C981 PolarHBondContact SG-SG 2.9Å; C978-A982 WeakPolarHBondContact O-CA 3.25Å; C978-A982 PolarHBondContact O-N 3.35Å; C978-V983 HydrophobicContact CB-CB 4.29Å; C978-V983 VanDerWaalsContact CB-O 3.29Å; C978-V983 WeakPolarHBondContact CB-O 3.46Å; C978-V983 PolarHBondContact N-O 3.12Å; C978-C1009 HydrophobicContact CB-CB 4.33Å; C978-C1009 PolarHBondContact SG-N 3.04Å
979	R	77.5	Confident	57.2	Low	149 Å²	149	99 Å²	99	56%	0.562	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-1.5	-176.8	-151.5	-174.1	-153.6	98.7	15.1	113.7	V977 F1007	V977-R979 PolarHBondContact O-N 2.92Å; R979-F1007 HydrophobicContact CB-CB 4.13Å; R979-F1007 WeakPolarHBondContact CB-O 3.29Å; R979-F1007 PolarHBondContact N-O 2.89Å
980	N	83.2	Confident	57.9	Low	42 Å²	42	104.1 Å²	104.1	23%	0.225	56%	0.561	C	S	.	*	T	Hydrogen-bonded Turn	trans	-117.1	-80.3	179.1	-157.9	71.5	0	0	0	108.4	C978 A982 L1008 C1012 L1022 K1023 T1025	C978-N980 PolarHBondContact O-N 3.29Å; C978-N980 VanDerWaalsContact O-N 3.14Å; N980-A982 PolarHBondContact O-N 3.32Å; N980-L1008 HydrophobicContact CB-CD2 3.95Å; N980-C1012 HydrophobicContact CB-CB 4.08Å; N980-C1012 PolarHBondContact ND2-SG 2.94Å; N980-C1012 VanDerWaalsContact ND2-SG 3.4Å; N980-L1022 HydrophobicContact CB-CD2 4.3Å; N980-K1023 PolarHBondContact ND2-O 3.49Å; N980-T1025 PolarHBondContact O-OG1 2.89Å
981	C	86.3	Confident	58.2	Low	37 Å²	37	103 Å²	103	25%	0.25	56%	0.559	C	S	.	*	T	Hydrogen-bonded Turn	trans	-82.9	11	-175.4	70.2	0	0	0	0	117.3	C978 V983 C1009 T1025	C978-C981 PolarHBondContact SG-SG 2.9Å; C981-V983 PolarHBondContact O-N 3.49Å; C981-V983 VanDerWaalsContact SG-CG2 3.54Å; C981-C1009 PolarHBondContact SG-SG 2.72Å; C981-T1025 WeakPolarHBondContact CA-OG1 3.3Å; C981-T1025 HydrophobicContact CB-CG2 3.97Å; C981-T1025 PolarHBondContact N-OG1 2.77Å
982	A	83.2	Confident	59.1	Low	70 Å²	70	103.6 Å²	103.6	58%	0.579	56%	0.561	S	S	*	*			trans	58.7	10.7	179.6	0	0	0	0	0	118	V977 C978 N980	V977-A982 VanDerWaalsContact CG1-C 3.42Å; V977-A982 HydrophobicContact CG1-CB 4.32Å; V977-A982 WeakPolarHBondContact CG1-O 3.35Å; C978-A982 WeakPolarHBondContact O-CA 3.25Å; C978-A982 PolarHBondContact O-N 3.35Å; N980-A982 PolarHBondContact O-N 3.32Å
983	V	82	Confident	59.3	Low	71 Å²	71	98.5 Å²	98.5	43%	0.43	56%	0.557	S	S	.	*			trans	-70.4	139.9	174.9	169.6	0	0	0	0	112.9	V977 C978 C981 C1009	V977-V983 CarbonylContact C-O 3.5Å; C978-V983 HydrophobicContact CB-CB 4.29Å; C978-V983 VanDerWaalsContact CB-O 3.29Å; C978-V983 WeakPolarHBondContact CB-O 3.46Å; C978-V983 PolarHBondContact N-O 3.12Å; C981-V983 PolarHBondContact O-N 3.49Å; C981-V983 VanDerWaalsContact SG-CG2 3.54Å; V983-C1009 HydrophobicContact CB-CB 4.41Å; V983-C1009 HydrophobicContact CG1-CB 4.34Å
984	E	77.9	Confident	59.5	Low	107 Å²	107	97.9 Å²	97.9	50%	0.5	56%	0.563	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-74.6	153.2	178.4	-65.9	-170.1	-166.9	0	0	114.2	K975 R976	K975-E984 WeakPolarHBondContact CD-OE1 3.24Å; K975-E984 VanDerWaalsContact CD-OE2 3.27Å; K975-E984 WeakPolarHBondContact CD-OE2 3.33Å; K975-E984 WeakPolarHBondContact CE-OE2 3.28Å; K975-E984 IonicContact NZ-OE1 2.69Å; K975-E984 PolarHBondContact NZ-OE1 2.78Å; K975-E984 IonicContact NZ-OE2 2.77Å; K975-E984 PolarHBondContact NZ-OE2 3.36Å; R976-E984 CarbonylContact O-C 3.6Å; R976-E984 WeakPolarHBondContact O-CA 3.4Å
985	L	74.4	Confident	59.6	Low	37 Å²	37	97.1 Å²	97.1	19%	0.194	58%	0.576	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.4	135.7	-173.8	-55.7	171.8	0	0	0	111.6	R976 C1009	R976-L985 HydrophobicContact CB-CB 3.91Å; R976-L985 HydrophobicContact CB-CD1 4.42Å; R976-L985 PolarHBondContact O-N 2.81Å; L985-C1009 HydrophobicContact CD2-CB 4.23Å
986	P	62.4	Low	58.3	Low	126 Å²	126	99 Å²	99	82%	0.818	59%	0.589	S	S	*	*			trans	-75	167.9	-177.6	31	-36.3	0	0	0	114
987	S	43.5	Very low	57.1	Low	80 Å²	80	99.8 Å²	99.8	56%	0.559	61%	0.605	S	S	*	*			trans	-143.6	134.9	-174.8	60.4	0	0	0	0	114.7
988	T	43.7	Very low	54.7	Low	156 Å²	156	104.1 Å²	104.1	96%	0.957	63%	0.626	S	S	*	*			trans	-125	165.7	170.7	51.4	0	0	0	0	110.5
989	G	35.8	Very low	52.1	Low	74 Å²	74	111.5 Å²	111.5	76%	0.763	66%	0.66	S	S	*	*			trans	-136.4	-154.6	-159.3	0	0	0	0	0	118.6
990	E	39.1	Very low	49.8	Very low	206 Å²	206	109.8 Å²	109.8	96%	0.963	66%	0.658	S	S	*	*			trans	79.3	169.2	-177.1	-52	-154.1	142.3	0	0	118.1
991	S	33.5	Very low	47.3	Very low	115 Å²	115	112.3 Å²	112.3	80%	0.804	67%	0.669	S	S	*	*			trans	-123.6	159.9	-130.1	49.9	0	0	0	0	118.9
992	P	46.7	Very low	44.6	Very low	116 Å²	116	116.8 Å²	116.8	75%	0.753	69%	0.689	S	S	*	*			trans	-106.3	177.4	-169.1	43.4	-37.5	0	0	0	115
993	P	34.1	Very low	42.3	Very low	117 Å²	117	113.9 Å²	113.9	76%	0.76	67%	0.666	S	S	*	*				-153.2	146.3	100.1	38	-19.7	0	0	0	119.1
994	S	30.7	Very low	40.7	Very low	118 Å²	118	114.9 Å²	114.9	83%	0.825	67%	0.666	S	S	*	*			trans	72	151	145.4	-65.7	0	0	0	0	122.5
995	P	41	Very low	39.6	Very low	121 Å²	121	112.5 Å²	112.5	79%	0.786	66%	0.657	S	S	*	*			trans	-138.1	168.3	-147.8	40.8	-21.5	0	0	0	118.2
996	M	27	Very low	39	Very low	181 Å²	181	116.2 Å²	116.2	89%	0.892	67%	0.673	S	S	*	*			trans	-128.3	150	148.7	-86.6	-153.2	70.2	0	0	111.6
997	P	34.2	Very low	39.3	Very low	101 Å²	101	111 Å²	111	66%	0.656	64%	0.638	S	S	*	*			trans	-101.2	121.7	-172.1	35.7	-29.4	0	0	0	113.2
998	N	28.5	Very low	40.9	Very low	158 Å²	158	108 Å²	108	85%	0.845	62%	0.615	S	S	*	*			trans	174	100	139.8	-92.8	-16.5	0	0	0	111
999	H	29.9	Very low	43.1	Very low	160 Å²	160	100.7 Å²	100.7	74%	0.741	57%	0.57	S	S	*	*	S	Bend		-163	173.5	125.8	-124.9	-101.2	0	0	0	109.9	Q1001	H999-Q1001 PolarHBondContact O-N 3.41Å
1000	H	28.6	Very low	45.2	Very low	112 Å²	112	100.6 Å²	100.6	52%	0.519	56%	0.558	S	S	.	*			trans	-54.6	112.4	177.1	-74.6	-120.8	0	0	0	109.3	Q2269	H1000-Q2269 HydrophobicContact CB-CB 3.58Å; H1000-Q2269 VanDerWaalsContact O-CB 3.25Å; H1000-Q2269 WeakPolarHBondContact O-CB 3.02Å; H1000-Q2269 VanDerWaalsContact O-CG 3.26Å; H1000-Q2269 WeakPolarHBondContact O-CG 3.09Å; H1000-Q2269 PolarHBondContact O-OE1 2.83Å
1001	Q	30.6	Very low	47	Very low	96 Å²	96	95.3 Å²	95.3	45%	0.449	54%	0.536	S	S	.	.				76.9	99.5	89.9	-172.2	177	-105.7	0	0	112.5	H999 Q2269 S2270 P2271	H999-Q1001 PolarHBondContact O-N 3.41Å; Q1001-Q2269 HydrophobicContact CB-CB 4.36Å; Q1001-Q2269 PolarHBondContact NE2-O 2.93Å; Q1001-Q2269 CarbonylContact O-C 3.53Å; Q1001-Q2269 WeakPolarHBondContact O-CA 3.37Å; Q1001-Q2269 WeakPolarHBondContact O-CB 3.01Å; Q1001-Q2269 WeakPolarHBondContact O-CG 3.12Å; Q1001-S2270 CarbonylContact C-O 3.08Å; Q1001-S2270 VanDerWaalsContact C-O 3.31Å; Q1001-S2270 PolarHBondContact O-N 2.84Å; Q1001-P2271 HydrophobicContact CG-CB 3.56Å; Q1001-P2271 HydrophobicContact CG-CG 4.12Å
1002	L	30.1	Very low	49.6	Very low	130 Å²	130	90.2 Å²	90.2	68%	0.681	50%	0.501	S	S	*	.			trans	-139.7	139.1	-175.3	-127.3	175.5	0	0	0	114	Q2269 S2270 P2272	L1002-Q2269 HydrophobicContact CG-CG 4.38Å; L1002-S2270 CarbonylContact C-O 3.42Å; L1002-S2270 WeakPolarHBondContact CA-O 3.29Å; L1002-S2270 PolarHBondContact N-O 3.21Å; L1002-P2272 WeakPolarHBondContact O-CD 3.15Å
1003	G	33.8	Very low	51.4	Low	9 Å²	9	90.2 Å²	90.2	9%	0.093	49%	0.486	C	S	.	.			trans	133.9	5.9	146.5	0	0	0	0	0	119.6	L1005 Q1006 F1007 S2270	G1003-L1005 PolarHBondContact O-N 2.83Å; G1003-L1005 VanDerWaalsContact O-N 3.12Å; G1003-Q1006 WeakPolarHBondContact O-CB 3.31Å; G1003-Q1006 PolarHBondContact O-N 3.04Å; G1003-F1007 WeakPolarHBondContact O-CE2 3.37Å; G1003-S2270 PolarHBondContact N-O 2.74Å
1004	Q	48.2	Very low	53.5	Low	93 Å²	93	89.4 Å²	89.4	44%	0.435	47%	0.474	S	S	.	.	G	3₁₀ helix	trans	-56.8	-31.2	177.9	-83.8	-175	-4.6	0	0	112.7	Q1006 F1007 P2271 P2272	Q1004-Q1006 PolarHBondContact O-N 3.41Å; Q1004-F1007 PolarHBondContact O-N 2.93Å; Q1004-F1007 VanDerWaalsContact O-N 3.11Å; Q1004-P2271 WeakPolarHBondContact CG-O 2.93Å; Q1004-P2271 PolarHBondContact NE2-O 3.44Å; Q1004-P2272 HydrophobicContact CB-CB 4.48Å; Q1004-P2272 HydrophobicContact CG-CB 3.77Å
1005	L	55.6	Low	55.7	Low	57 Å²	57	86 Å²	86	30%	0.298	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-68.9	-4.5	175.3	-50.7	175.9	0	0	0	114.8	G1003 L1008 R1013 L1016	G1003-L1005 PolarHBondContact O-N 2.83Å; G1003-L1005 VanDerWaalsContact O-N 3.12Å; L1005-L1008 HydrophobicContact CD2-CD1 4.26Å; L1005-R1013 HydrophobicContact CD2-CG 4.37Å; L1005-L1016 HydrophobicContact CD2-CD2 4Å
1006	Q	63.1	Low	57.6	Low	115 Å²	115	82.5 Å²	82.5	54%	0.537	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-89	-5.2	169.2	-79.3	-160.4	0.9	0	0	113.6	G1003 Q1004	G1003-Q1006 WeakPolarHBondContact O-CB 3.31Å; G1003-Q1006 PolarHBondContact O-N 3.04Å; Q1004-Q1006 PolarHBondContact O-N 3.41Å
1007	F	67.8	Low	59.8	Low	17 Å²	17	80 Å²	80	8%	0.075	41%	0.406	C	S	.	.	S	Bend	trans	-118.8	27.6	178.1	-51.7	-68.7	0	0	0	111.3	R979 G1003 Q1004 P2272 H2274	R979-F1007 HydrophobicContact CB-CB 4.13Å; R979-F1007 WeakPolarHBondContact CB-O 3.29Å; R979-F1007 PolarHBondContact N-O 2.89Å; G1003-F1007 WeakPolarHBondContact O-CE2 3.37Å; Q1004-F1007 PolarHBondContact O-N 2.93Å; Q1004-F1007 VanDerWaalsContact O-N 3.11Å; F1007-P2272 HydrophobicContact CD2-CB 4Å; F1007-P2272 HydrophobicContact CE2-CB 3.99Å; F1007-P2272 HydrophobicContact CE2-CG 4.11Å; F1007-H2274 AromaticContact CE1-CD2 3.7Å; F1007-H2274 AromaticContact CE1-NE2 3.32Å; F1007-H2274 VanDerWaalsContact CE1-NE2 3.32Å; F1007-H2274 WeakPolarHBondContact CE1-NE2 3.04Å; F1007-H2274 AromaticContact CZ-CD2 3.22Å; F1007-H2274 WeakPolarHBondContact CZ-CD2 3.36Å; F1007-H2274 AromaticContact CZ-NE2 3.37Å; F1007-H2274 WeakPolarHBondContact CZ-NE2 3.13Å
1008	L	77	Confident	61.6	Low	15 Å²	15	82.2 Å²	82.2	8%	0.079	41%	0.405	C	S	.	.	S	Bend	trans	-129.9	138.3	173.3	-61.7	172.8	0	0	0	106.7	N980 L1005 C1012 R1013 L1016 L1022	N980-L1008 HydrophobicContact CB-CD2 3.95Å; L1005-L1008 HydrophobicContact CD2-CD1 4.26Å; L1008-C1012 HydrophobicContact CB-CB 4.19Å; L1008-C1012 HydrophobicContact CD2-CB 4.04Å; L1008-R1013 HydrophobicContact CB-CB 4.12Å; L1008-L1016 HydrophobicContact CD1-CD2 3.71Å; L1008-L1022 HydrophobicContact CD1-CD2 4Å; L1008-L1022 HydrophobicContact CD2-CD1 4.11Å; L1008-L1022 HydrophobicContact CD2-CD2 3.75Å
1009	C	89.5	Confident	63.7	Low	4 Å²	4	80.9 Å²	80.9	3%	0.027	39%	0.389	C	S	.	.			trans	-63.1	173.5	166	63.4	0	0	0	0	110.5	C978 C981 V983 L985 D1011 C1012 R1013	C978-C1009 HydrophobicContact CB-CB 4.33Å; C978-C1009 PolarHBondContact SG-N 3.04Å; C981-C1009 PolarHBondContact SG-SG 2.72Å; V983-C1009 HydrophobicContact CB-CB 4.41Å; V983-C1009 HydrophobicContact CG1-CB 4.34Å; L985-C1009 HydrophobicContact CD2-CB 4.23Å; C1009-D1011 PolarHBondContact O-N 3.17Å; C1009-D1011 PolarHBondContact SG-N 3.36Å; C1009-D1011 PolarHBondContact SG-OD2 2.97Å; C1009-C1012 PolarHBondContact SG-N 3.49Å; C1009-C1012 VanDerWaalsContact SG-SG 3.61Å; C1009-R1013 WeakPolarHBondContact O-CB 3.25Å; C1009-R1013 PolarHBondContact O-N 3.08Å
1010	S	79.9	Confident	65.4	Low	72 Å²	72	76 Å²	76	50%	0.503	38%	0.382	S	S	.	.	H	α-helix	trans	-41.1	-48.6	168.3	33.7	0	0	0	0	112	R1013 I1014	S1010-R1013 WeakPolarHBondContact O-CB 3.42Å; S1010-R1013 PolarHBondContact O-N 3.05Å; S1010-I1014 WeakPolarHBondContact O-CB 3.45Å; S1010-I1014 WeakPolarHBondContact O-CD1 3.06Å; S1010-I1014 WeakPolarHBondContact O-CG1 3.21Å; S1010-I1014 PolarHBondContact O-N 3.33Å
1011	D	78.1	Confident	67.2	Low	94 Å²	94	77.8 Å²	77.8	50%	0.503	39%	0.391	S	S	.	.	H	α-helix	trans	-83.4	-43	-160.6	-20.7	-61.1	0	0	0	110.3	C1009 R1013 I1014 H1015	C1009-D1011 PolarHBondContact O-N 3.17Å; C1009-D1011 PolarHBondContact SG-N 3.36Å; C1009-D1011 PolarHBondContact SG-OD2 2.97Å; D1011-R1013 VanDerWaalsContact C-N 3.29Å; D1011-R1013 PolarHBondContact O-N 2.73Å; D1011-I1014 PolarHBondContact O-N 3.28Å; D1011-H1015 WeakPolarHBondContact O-CB 3.31Å; D1011-H1015 PolarHBondContact O-N 2.94Å
1012	C	87.3	Confident	68.9	Low	9 Å²	9	76.2 Å²	76.2	6%	0.061	39%	0.385	C	S	.	.	H	α-helix	trans	-67.4	-31.2	171.1	-65.7	0	0	0	0	112.1	N980 L1008 C1009 L1016 L1022	N980-C1012 HydrophobicContact CB-CB 4.08Å; N980-C1012 PolarHBondContact ND2-SG 2.94Å; N980-C1012 VanDerWaalsContact ND2-SG 3.4Å; L1008-C1012 HydrophobicContact CB-CB 4.19Å; L1008-C1012 HydrophobicContact CD2-CB 4.04Å; C1009-C1012 PolarHBondContact SG-N 3.49Å; C1009-C1012 VanDerWaalsContact SG-SG 3.61Å; C1012-L1016 WeakPolarHBondContact O-CB 3.09Å; C1012-L1016 PolarHBondContact O-N 2.78Å; C1012-L1016 VanDerWaalsContact O-N 3.09Å; C1012-L1022 HydrophobicContact CB-CD2 3.97Å; C1012-L1022 VanDerWaalsContact O-CD2 3.25Å; C1012-L1022 WeakPolarHBondContact O-CD2 3.44Å
1013	R	83.7	Confident	70.3	Confident	115 Å²	115	74.7 Å²	74.7	43%	0.434	37%	0.373	S	S	.	.	H	α-helix	trans	-69.8	-41.7	172.5	175.4	172	171.8	-177	-5.7	111.5	L1005 L1008 C1009 S1010 D1011 Q1017	L1005-R1013 HydrophobicContact CD2-CG 4.37Å; L1008-R1013 HydrophobicContact CB-CB 4.12Å; C1009-R1013 WeakPolarHBondContact O-CB 3.25Å; C1009-R1013 PolarHBondContact O-N 3.08Å; S1010-R1013 WeakPolarHBondContact O-CB 3.42Å; S1010-R1013 PolarHBondContact O-N 3.05Å; D1011-R1013 VanDerWaalsContact C-N 3.29Å; D1011-R1013 PolarHBondContact O-N 2.73Å; R1013-Q1017 WeakPolarHBondContact O-CB 3.08Å; R1013-Q1017 VanDerWaalsContact O-CG 3.28Å; R1013-Q1017 WeakPolarHBondContact O-CG 3.14Å; R1013-Q1017 PolarHBondContact O-N 3.38Å
1014	I	78.9	Confident	70.4	Confident	101 Å²	101	79 Å²	79	52%	0.518	40%	0.4	S	S	.	.	H	α-helix	trans	-64.6	-42.9	174	-73.4	161.3	0	0	0	110.4	S1010 D1011 Q1017 K1018	S1010-I1014 WeakPolarHBondContact O-CB 3.45Å; S1010-I1014 WeakPolarHBondContact O-CD1 3.06Å; S1010-I1014 WeakPolarHBondContact O-CG1 3.21Å; S1010-I1014 PolarHBondContact O-N 3.33Å; D1011-I1014 PolarHBondContact O-N 3.28Å; I1014-Q1017 CarbonylContact O-C 3.56Å; I1014-Q1017 WeakPolarHBondContact O-CA 3.19Å; I1014-Q1017 PolarHBondContact O-N 3.47Å; I1014-Q1017 VanDerWaalsContact O-N 3.11Å; I1014-K1018 VanDerWaalsContact O-CB 3.29Å; I1014-K1018 WeakPolarHBondContact O-CB 3.32Å; I1014-K1018 PolarHBondContact O-N 3.31Å
1015	H	77.4	Confident	70	Confident	47 Å²	47	78.2 Å²	78.2	22%	0.218	40%	0.402	C	S	.	.	H	α-helix	trans	-60	-49.9	177.4	-159.3	-72.6	0	0	0	111.6	D1011 Q1017 K1018 Y1019 E1021 K1023	D1011-H1015 WeakPolarHBondContact O-CB 3.31Å; D1011-H1015 PolarHBondContact O-N 2.94Å; H1015-Q1017 PolarHBondContact O-N 2.99Å; H1015-K1018 PolarHBondContact O-N 3.22Å; H1015-Y1019 AromaticContact CD2-CD2 3.77Å; H1015-Y1019 AromaticContact CD2-CE2 3.88Å; H1015-Y1019 AromaticContact CE1-CD2 3.34Å; H1015-Y1019 WeakPolarHBondContact CE1-CD2 3.49Å; H1015-Y1019 AromaticContact CE1-CG 3.84Å; H1015-Y1019 AromaticContact CG-CD2 3.83Å; H1015-Y1019 AromaticContact ND1-CD2 3.58Å; H1015-Y1019 AromaticContact NE2-CD2 3.46Å; H1015-Y1019 WeakPolarHBondContact NE2-CD2 3.39Å; H1015-Y1019 AromaticContact NE2-CE2 3.64Å; H1015-Y1019 PolarHBondContact O-N 2.86Å; H1015-E1021 CarbonylContact C-O 3.26Å; H1015-E1021 PolarHBondContact ND1-O 3.44Å; H1015-K1023 PolarHBondContact ND1-N 3.18Å
1016	L	81	Confident	68.8	Low	47 Å²	47	79.8 Å²	79.8	25%	0.246	42%	0.417	C	S	.	.	H	α-helix	trans	-60.7	-31.5	174.7	179.9	59.1	0	0	0	112.7	L1005 L1008 C1012 G1020 L1022	L1005-L1016 HydrophobicContact CD2-CD2 4Å; L1008-L1016 HydrophobicContact CD1-CD2 3.71Å; C1012-L1016 WeakPolarHBondContact O-CB 3.09Å; C1012-L1016 PolarHBondContact O-N 2.78Å; C1012-L1016 VanDerWaalsContact O-N 3.09Å; L1016-G1020 WeakPolarHBondContact CD1-O 3.14Å; L1016-G1020 WeakPolarHBondContact O-CA 3.08Å; L1016-G1020 PolarHBondContact O-N 3.27Å; L1016-L1022 HydrophobicContact CB-CD2 3.97Å; L1016-L1022 HydrophobicContact CB-CG 4.18Å; L1016-L1022 HydrophobicContact CD1-CG 4.32Å; L1016-L1022 HydrophobicContact CD2-CD2 4.49Å; L1016-L1022 HydrophobicContact CD2-CG 4.36Å
1017	Q	72.8	Confident	67.4	Low	129 Å²	129	81 Å²	81	60%	0.603	42%	0.421	S	S	*	.	H	α-helix	trans	-79.3	-22.9	174.4	-74.9	-175.2	-108.5	0	0	114.1	R1013 I1014 H1015	R1013-Q1017 WeakPolarHBondContact O-CB 3.08Å; R1013-Q1017 VanDerWaalsContact O-CG 3.28Å; R1013-Q1017 WeakPolarHBondContact O-CG 3.14Å; R1013-Q1017 PolarHBondContact O-N 3.38Å; I1014-Q1017 CarbonylContact O-C 3.56Å; I1014-Q1017 WeakPolarHBondContact O-CA 3.19Å; I1014-Q1017 PolarHBondContact O-N 3.47Å; I1014-Q1017 VanDerWaalsContact O-N 3.11Å; H1015-Q1017 PolarHBondContact O-N 2.99Å
1018	K	72.2	Confident	65.5	Low	146 Å²	146	86.2 Å²	86.2	64%	0.635	45%	0.445	S	S	*	.	H	α-helix	trans	-95.4	-37.9	-175.9	-174.4	178.2	174.5	-157.7	0	112.9	I1014 H1015	I1014-K1018 VanDerWaalsContact O-CB 3.29Å; I1014-K1018 WeakPolarHBondContact O-CB 3.32Å; I1014-K1018 PolarHBondContact O-N 3.31Å; H1015-K1018 PolarHBondContact O-N 3.22Å
1019	Y	73	Confident	63.3	Low	131 Å²	131	92.3 Å²	92.3	51%	0.514	47%	0.474	S	S	.	.	H	α-helix	trans	-114.8	-4.1	-173.7	-60.3	-80.6	0	0	0	113.8	H1015 E1021	H1015-Y1019 AromaticContact CD2-CD2 3.77Å; H1015-Y1019 AromaticContact CD2-CE2 3.88Å; H1015-Y1019 AromaticContact CE1-CD2 3.34Å; H1015-Y1019 WeakPolarHBondContact CE1-CD2 3.49Å; H1015-Y1019 AromaticContact CE1-CG 3.84Å; H1015-Y1019 AromaticContact CG-CD2 3.83Å; H1015-Y1019 AromaticContact ND1-CD2 3.58Å; H1015-Y1019 AromaticContact NE2-CD2 3.46Å; H1015-Y1019 WeakPolarHBondContact NE2-CD2 3.39Å; H1015-Y1019 AromaticContact NE2-CE2 3.64Å; H1015-Y1019 PolarHBondContact O-N 2.86Å; Y1019-E1021 PolarHBondContact O-N 3.07Å
1020	G	64.6	Low	60.4	Low	58 Å²	58	100.7 Å²	100.7	60%	0.598	51%	0.512	S	S	*	.	S	Bend	trans	73.8	-13.3	-173.5	0	0	0	0	0	114.4	L1016	L1016-G1020 WeakPolarHBondContact CD1-O 3.14Å; L1016-G1020 WeakPolarHBondContact O-CA 3.08Å; L1016-G1020 PolarHBondContact O-N 3.27Å
1021	E	65.6	Low	58	Low	149 Å²	149	105.6 Å²	105.6	70%	0.696	53%	0.527	S	S	*	.	S	Bend	trans	-124.7	150.9	-175.7	-60.9	-176.2	-148.5	0	0	110.9	H1015 Y1019	H1015-E1021 CarbonylContact C-O 3.26Å; H1015-E1021 PolarHBondContact ND1-O 3.44Å; Y1019-E1021 PolarHBondContact O-N 3.07Å
1022	L	67.1	Low	55.6	Low	62 Å²	62	108.7 Å²	108.7	33%	0.325	54%	0.539	S	S	.	.			trans	-85.7	123.3	172	-80.1	164.1	0	0	0	108.6	N980 L1008 C1012 L1016 C1024	N980-L1022 HydrophobicContact CB-CD2 4.3Å; L1008-L1022 HydrophobicContact CD1-CD2 4Å; L1008-L1022 HydrophobicContact CD2-CD1 4.11Å; L1008-L1022 HydrophobicContact CD2-CD2 3.75Å; C1012-L1022 HydrophobicContact CB-CD2 3.97Å; C1012-L1022 VanDerWaalsContact O-CD2 3.25Å; C1012-L1022 WeakPolarHBondContact O-CD2 3.44Å; L1016-L1022 HydrophobicContact CB-CD2 3.97Å; L1016-L1022 HydrophobicContact CB-CG 4.18Å; L1016-L1022 HydrophobicContact CD1-CG 4.32Å; L1016-L1022 HydrophobicContact CD2-CD2 4.49Å; L1016-L1022 HydrophobicContact CD2-CG 4.36Å; L1022-C1024 PolarHBondContact O-N 2.73Å
1023	K	60.2	Low	52.7	Low	99 Å²	99	115.4 Å²	115.4	43%	0.43	57%	0.573	S	S	.	*			trans	-55.9	128.8	172.6	-141.4	-165.7	-177.1	-142.1	0	108.3	N980 H1015 T1025 E1028	N980-K1023 PolarHBondContact ND2-O 3.49Å; H1015-K1023 PolarHBondContact ND1-N 3.18Å; K1023-T1025 PolarHBondContact O-N 2.85Å; K1023-T1025 VanDerWaalsContact O-N 3.09Å; K1023-E1028 IonicContact NZ-OE2 2.69Å; K1023-E1028 PolarHBondContact NZ-OE2 3.24Å
1024	C	36.2	Very low	50	Low	100 Å²	100	115.7 Å²	115.7	68%	0.676	58%	0.583	S	S	*	*			trans	-65.9	111.2	172.9	-74.3	0	0	0	0	108.2	L1022 S1026	L1022-C1024 PolarHBondContact O-N 2.73Å; C1024-S1026 PolarHBondContact O-N 3.45Å; C1024-S1026 VanDerWaalsContact O-N 3.14Å
1025	T	38.1	Very low	47.6	Very low	75 Å²	75	117 Å²	117	46%	0.46	59%	0.591	S	S	.	*			trans	-90.2	60.6	179.3	49	0	0	0	0	111.6	N980 C981 K1023	N980-T1025 PolarHBondContact O-OG1 2.89Å; C981-T1025 WeakPolarHBondContact CA-OG1 3.3Å; C981-T1025 HydrophobicContact CB-CG2 3.97Å; C981-T1025 PolarHBondContact N-OG1 2.77Å; K1023-T1025 PolarHBondContact O-N 2.85Å; K1023-T1025 VanDerWaalsContact O-N 3.09Å
1026	S	31.9	Very low	45.6	Very low	90 Å²	90	119.2 Å²	119.2	63%	0.629	61%	0.609	S	S	*	*	S	Bend	trans	-89.8	137.4	135.5	41	0	0	0	0	106.3	C1024 E1028	C1024-S1026 PolarHBondContact O-N 3.45Å; C1024-S1026 VanDerWaalsContact O-N 3.14Å; S1026-E1028 PolarHBondContact O-N 2.76Å
1027	K	32.8	Very low	43	Very low	142 Å²	142	121.2 Å²	121.2	62%	0.617	63%	0.627	S	S	*	*			trans	-70.6	113.2	-173.8	-81.8	-174	154.1	-126.7	0	111.4	E1029 G1500	K1027-E1029 IonicContact NZ-OE1 2.63Å; K1027-E1029 IonicContact NZ-OE2 3.67Å; K1027-E1029 PolarHBondContact NZ-OE2 2.78Å; K1027-G1500 PolarHBondContact NZ-O 3.3Å
1028	E	27.5	Very low	40.9	Very low	125 Å²	125	123.5 Å²	123.5	58%	0.584	64%	0.638	S	S	*	*			trans	-91.8	127.6	147	-60.5	146.8	173.7	0	0	106.3	K1023 S1026	K1023-E1028 IonicContact NZ-OE2 2.69Å; K1023-E1028 PolarHBondContact NZ-OE2 3.24Å; S1026-E1028 PolarHBondContact O-N 2.76Å
1029	E	31.9	Very low	38.7	Very low	144 Å²	144	121.8 Å²	121.8	67%	0.673	64%	0.64	S	S	*	*			trans	-149.8	87.5	166.8	-105.5	158	-167.9	0	0	105.3	K1027	K1027-E1029 IonicContact NZ-OE1 2.63Å; K1027-E1029 IonicContact NZ-OE2 3.67Å; K1027-E1029 PolarHBondContact NZ-OE2 2.78Å
1030	E	27.8	Very low	36.6	Very low	179 Å²	179	122.3 Å²	122.3	84%	0.836	65%	0.651	S	S	*	*			trans	-84.7	-163.2	169.5	-61.7	170.3	125.9	0	0	109.5
1031	E	29.4	Very low	34.7	Very low	175 Å²	175	126.3 Å²	126.3	82%	0.818	66%	0.659	S	S	*	*			trans	84.5	99.5	173.5	-58	-176.8	162.2	0	0	117.2
1032	E	28.9	Very low	32.7	Very low	159 Å²	159	123.5 Å²	123.5	74%	0.743	66%	0.655	S	S	*	*				54.5	121	122.2	-62.9	-167.8	123.1	0	0	119.3
1033	I	25.7	Very low	30.7	Very low	151 Å²	151	128.3 Å²	128.3	77%	0.774	68%	0.68	S	S	*	*			cis	61.3	131.2	44.5	-49.4	-178.1	0	0	0	113.2
1034	N	26.9	Very low	29	Very low	121 Å²	121	127.7 Å²	127.7	65%	0.647	69%	0.688	S	S	*	*			trans	89	134.3	179.9	-57	-70.6	0	0	0	116
1035	N	28	Very low	28.5	Very low	129 Å²	129	129.3 Å²	129.3	69%	0.69	69%	0.69	S	S	*	*			cis	-158.1	-171.1	-21.8	-128	-31.4	0	0	0	108.9
1036	P	36.5	Very low	28	Very low	92 Å²	92	132.5 Å²	132.5	60%	0.597	70%	0.704	S	S	*	*			trans	-124.7	-154	-134.7	41.8	-21.9	0	0	0	114.4
1037	S	26.4	Very low	27.7	Very low	90 Å²	90	131.4 Å²	131.4	63%	0.629	71%	0.707	S	S	*	*			trans	86.3	133.5	156.5	8	0	0	0	0	119.8
1038	E	28	Very low	27.5	Very low	176 Å²	176	133.9 Å²	133.9	82%	0.822	72%	0.718	S	S	*	*			trans	70.3	144.5	140	-63.4	178.2	-175	0	0	119.1
1039	T	27.2	Very low	27.4	Very low	110 Å²	110	134 Å²	134	68%	0.675	72%	0.721	S	S	*	*			cis	-153.7	148.4	-4.5	3.4	0	0	0	0	112.2
1040	L	27.5	Very low	27.3	Very low	142 Å²	142	134 Å²	134	74%	0.743	72%	0.721	S	S	*	*			trans	33.1	151.2	137	-69.8	170.8	0	0	0	123.6
1041	N	24.8	Very low	27.3	Very low	143 Å²	143	133.1 Å²	133.1	77%	0.765	72%	0.715	S	S	*	*			trans	77.8	142.1	152.8	-64.8	-22.9	0	0	0	117.5
1042	S	24.7	Very low	27.2	Very low	90 Å²	90	131.7 Å²	131.7	63%	0.629	71%	0.706	S	S	*	*			cis	-171.2	163.8	-2.4	41.3	0	0	0	0	112.3
1043	I	24.6	Very low	27.2	Very low	162 Å²	162	131.2 Å²	131.2	83%	0.831	70%	0.704	S	S	*	*			trans	70.5	144.5	155.2	-71.5	153.7	0	0	0	116.7
1044	S	23.8	Very low	27.4	Very low	87 Å²	87	128 Å²	128	61%	0.608	70%	0.695	S	S	*	*			cis	-174.3	163.8	-29.5	-160.5	0	0	0	0	108.2
1045	N	25.7	Very low	27.5	Very low	133 Å²	133	128.2 Å²	128.2	71%	0.711	70%	0.696	S	S	*	*			trans	66.1	148.7	162.1	-59	13.8	0	0	0	116.4
1046	D	27	Very low	27.6	Very low	143 Å²	143	127.8 Å²	127.8	77%	0.765	69%	0.694	S	S	*	*			cis	-137.9	147.2	-19.8	-81.6	-42	0	0	0	104.8
1047	G	26.6	Very low	27.2	Very low	66 Å²	66	132.2 Å²	132.2	68%	0.68	70%	0.699	S	S	*	*			cis	90.2	88.6	43.6	0	0	0	0	0	110.7
1048	K	28.3	Very low	27.2	Very low	195 Å²	195	134.4 Å²	134.4	85%	0.848	70%	0.703	S	S	*	*			trans	-170.8	132	148.5	-108.4	169.1	-174.7	169.1	0	115.4
1049	L	26.8	Very low	27.2	Very low	127 Å²	127	132.3 Å²	132.3	67%	0.665	70%	0.697	S	S	*	*			trans	68.2	105.1	150.1	-57	172.6	0	0	0	116.8
1050	Q	28.6	Very low	27.3	Very low	144 Å²	144	133.3 Å²	133.3	67%	0.673	70%	0.698	S	S	*	*				74.3	139.4	82.6	-76.3	178.9	23.8	0	0	112.2
1051	K	28.3	Very low	27.3	Very low	161 Å²	161	132.1 Å²	132.1	70%	0.7	69%	0.692	S	S	*	*			cis	-163	160.7	24.3	-128.7	146.4	-177.6	161	0	106.9
1052	K	27.1	Very low	27.3	Very low	145 Å²	145	130.5 Å²	130.5	63%	0.63	69%	0.687	S	S	*	*			cis	-157.8	139.8	-4.4	-134	-168.4	146.7	-166.2	0	106.2
1053	E	28.5	Very low	27.3	Very low	148 Å²	148	132.2 Å²	132.2	69%	0.692	69%	0.688	S	S	*	*				49.2	142.5	105.3	-65.1	169.5	-119.9	0	0	116.8
1054	S	29.8	Very low	27.4	Very low	85 Å²	85	132.1 Å²	132.1	59%	0.594	68%	0.684	S	S	*	*			cis	-170.1	172.6	-6.2	49.9	0	0	0	0	111.9
1055	N	28.5	Very low	27.6	Very low	125 Å²	125	135.7 Å²	135.7	67%	0.668	69%	0.691	S	S	*	*				-1.7	143.3	128.1	-27.2	-27.9	0	0	0	115.1
1056	D	30.7	Very low	27.7	Very low	120 Å²	120	136.3 Å²	136.3	64%	0.642	69%	0.694	S	S	*	*				-144.4	136.7	76.5	-96.5	-25.9	0	0	0	111.1
1057	R	28.6	Very low	27.8	Very low	185 Å²	185	132.8 Å²	132.8	70%	0.698	69%	0.692	S	S	*	*				76	132.9	69.4	-86.6	-165.8	179.5	139.4	-15	114.1
1058	N	26.6	Very low	27.9	Very low	136 Å²	136	136.4 Å²	136.4	73%	0.727	70%	0.695	S	S	*	*			trans	63.6	179.7	160.8	-45.7	-17.7	0	0	0	112.2
1059	L	28	Very low	27.8	Very low	131 Å²	131	134.6 Å²	134.6	69%	0.686	69%	0.69	S	S	*	*			cis	-158.4	153.7	8.1	-168.1	70.5	0	0	0	109
1060	L	28	Very low	27.7	Very low	132 Å²	132	133.7 Å²	133.7	69%	0.691	69%	0.685	S	S	*	*			trans	63.3	144.8	151.5	-107	56.5	0	0	0	120.9
1061	D	28	Very low	27.5	Very low	116 Å²	116	130.4 Å²	130.4	62%	0.62	68%	0.675	S	S	*	*			trans	67.4	127.8	149.2	-59.5	-33.4	0	0	0	121.5
1062	T	25.2	Very low	27.3	Very low	110 Å²	110	131 Å²	131	68%	0.675	67%	0.673	S	S	*	*			cis	74.1	145.7	43.4	-41.8	0	0	0	0	111
1063	I	25.3	Very low	27.3	Very low	125 Å²	125	130.8 Å²	130.8	64%	0.641	67%	0.674	S	S	*	*			trans	69.3	99.7	175.5	-73.1	133.8	0	0	0	111.9
1064	E	25.9	Very low	27.1	Very low	160 Å²	160	127 Å²	127	75%	0.748	68%	0.675	S	S	*	*				89.6	171.5	71.1	-80.7	165	179.2	0	0	111.2
1065	E	29.1	Very low	26.9	Very low	162 Å²	162	129.5 Å²	129.5	76%	0.757	68%	0.68	S	S	*	*			trans	55.8	99.1	165.4	-70.5	175.8	-170.7	0	0	116.6
1066	D	27.8	Very low	26.8	Very low	146 Å²	146	131.4 Å²	131.4	78%	0.781	68%	0.682	S	S	*	*				92.1	96	67	-85.4	-14.9	0	0	0	110.9
1067	G	27.8	Very low	26.6	Very low	70 Å²	70	131.2 Å²	131.2	72%	0.722	68%	0.681	S	S	*	*			trans	54.8	-140.3	168.7	0	0	0	0	0	113.3
1068	L	28.3	Very low	26.5	Very low	141 Å²	141	128.2 Å²	128.2	74%	0.738	68%	0.679	S	S	*	*			cis	-62.6	150.8	-23.2	-96.6	70.2	0	0	0	107.7
1069	E	25.9	Very low	26.4	Very low	158 Å²	158	128.6 Å²	128.6	74%	0.738	68%	0.676	S	S	*	*				42.3	146.7	74.1	-36.1	-175	138.2	0	0	111.6
1070	D	25	Very low	26.2	Very low	107 Å²	107	126.8 Å²	126.8	57%	0.572	67%	0.674	S	S	*	*			cis	-158	-166	18.7	-162.6	-1	0	0	0	105.5	R1072	D1070-R1072 IonicContact OD2-NH2 3.42Å; D1070-R1072 PolarHBondContact OD2-NH2 3.39Å
1071	V	25.1	Very low	25.9	Very low	76 Å²	76	126 Å²	126	46%	0.461	67%	0.671	S	S	.	*				26.9	157.8	120.2	112.4	0	0	0	0	122.2
1072	R	24.6	Very low	25.8	Very low	174 Å²	174	127.9 Å²	127.9	66%	0.657	68%	0.676	S	S	*	*			cis	-122.2	137.9	9.7	-133.5	118.7	-99.7	-161.5	13.3	106.6	D1070 G1074	D1070-R1072 IonicContact OD2-NH2 3.42Å; D1070-R1072 PolarHBondContact OD2-NH2 3.39Å; R1072-G1074 PolarHBondContact O-N 2.81Å; R1072-G1074 VanDerWaalsContact O-N 3.09Å
1073	H	26.6	Very low	25.7	Very low	140 Å²	140	129.5 Å²	129.5	65%	0.648	68%	0.679	S	S	*	*				43.8	73.5	112.2	-51.4	8.1	0	0	0	109.1
1074	G	24.8	Very low	25.6	Very low	68 Å²	68	127.9 Å²	127.9	70%	0.701	68%	0.675	S	S	*	*				71.5	-137	82.3	0	0	0	0	0	105	R1072	R1072-G1074 PolarHBondContact O-N 2.81Å; R1072-G1074 VanDerWaalsContact O-N 3.09Å
1075	I	26.1	Very low	25.5	Very low	137 Å²	137	124.6 Å²	124.6	70%	0.703	67%	0.665	S	S	*	*			trans	62.4	100.8	177.9	-75.9	174.4	0	0	0	108.4
1076	K	24.8	Very low	25.3	Very low	165 Å²	165	119.2 Å²	119.2	72%	0.717	65%	0.646	S	S	*	*				66	127.2	102.2	-72.2	-159.1	-173.7	-165.4	0	112
1077	D	27.6	Very low	25.2	Very low	116 Å²	116	114.7 Å²	114.7	62%	0.62	63%	0.626	S	S	*	*			cis	-139.9	178.1	10.9	-90.9	-33.4	0	0	0	105.4
1078	D	24.9	Very low	25.2	Very low	123 Å²	123	116.9 Å²	116.9	66%	0.658	62%	0.619	S	S	*	*				39.4	104.3	66.1	-96	-24.9	0	0	0	108.2
1079	H	24.9	Very low	25.3	Very low	144 Å²	144	112.8 Å²	112.8	67%	0.667	60%	0.597	S	S	*	*				-168	158.4	52	-82.1	-46.9	0	0	0	106.4
1080	S	24	Very low	25.5	Very low	92 Å²	92	108.8 Å²	108.8	64%	0.643	58%	0.581	S	S	*	*				11.9	129.2	105.2	76	0	0	0	0	115.6
1081	N	23.2	Very low	25.6	Very low	115 Å²	115	106.1 Å²	106.1	62%	0.615	57%	0.573	S	S	*	*				-168.2	135.9	103.6	-91.6	12.8	0	0	0	107
1082	E	24	Very low	25.9	Very low	157 Å²	157	109 Å²	109	73%	0.734	59%	0.585	S	S	*	*				58.5	64.6	65	-171.3	-159.4	-127	0	0	110.1
1083	I	23.2	Very low	26.2	Very low	143 Å²	143	106.3 Å²	106.3	73%	0.733	58%	0.578	S	S	*	*			trans	-163.8	113.1	151	-90.7	136.8	0	0	0	103.7
1084	T	23.3	Very low	26.7	Very low	92 Å²	92	104.1 Å²	104.1	56%	0.564	58%	0.576	S	S	*	*				66.7	158.7	54	73	0	0	0	0	114.3	D403	D403-T1084 WeakPolarHBondContact OD2-CA 3.3Å
1085	V	23.9	Very low	26.9	Very low	90 Å²	90	106.6 Å²	106.6	55%	0.545	58%	0.578	S	S	.	*			trans	94.3	93.2	162	-171.8	0	0	0	0	119.5	D403	D403-V1085 PolarHBondContact OD1-N 3.49Å; D403-V1085 PolarHBondContact OD2-N 3.44Å
1086	S	24.5	Very low	27	Very low	49 Å²	49	105.2 Å²	105.2	34%	0.343	58%	0.579	S	S	.	*				73.3	154.5	113.5	-63.7	0	0	0	0	124.7	E401 D403	E401-S1086 WeakPolarHBondContact OE1-CA 3.49Å; E401-S1086 VanDerWaalsContact OE1-CB 3.25Å; E401-S1086 WeakPolarHBondContact OE1-CB 3.44Å; E401-S1086 PolarHBondContact OE1-OG 2.87Å; D403-S1086 PolarHBondContact OD1-N 3.02Å
1087	S	27.1	Very low	27.2	Very low	52 Å²	52	101.1 Å²	101.1	36%	0.364	57%	0.571	S	S	.	*			cis	-158.8	164.3	-16.2	52.9	0	0	0	0	116.8	E401 Q405 Q406	E401-S1087 WeakPolarHBondContact OE1-CB 3.09Å; E401-S1087 WeakPolarHBondContact OE2-CA 3.3Å; E401-S1087 WeakPolarHBondContact OE2-CB 3.49Å; Q405-S1087 VanDerWaalsContact CD-O 3.27Å; Q405-S1087 WeakPolarHBondContact CG-O 3.21Å; Q405-S1087 PolarHBondContact NE2-O 3.3Å; Q405-S1087 VanDerWaalsContact OE1-CA 3.31Å; Q406-S1087 PolarHBondContact NE2-O 3.18Å
1088	M	27.7	Very low	27.4	Very low	116 Å²	116	100.3 Å²	100.3	57%	0.571	57%	0.566	S	S	*	*			trans	57.8	144.2	165.7	-60.3	-161.1	173.5	0	0	120.7	N399 E401 Q405 Q406	N399-M1088 WeakPolarHBondContact ND2-CA 3.41Å; E401-M1088 PolarHBondContact OE2-N 3.17Å; Q405-M1088 VanDerWaalsContact CD-N 3.28Å; Q405-M1088 PolarHBondContact NE2-O 3.03Å; Q406-M1088 WeakPolarHBondContact CG-O 3.16Å
1089	L	29	Very low	27.4	Very low	54 Å²	54	96.8 Å²	96.8	28%	0.283	55%	0.549	S	S	.	.			cis	-164.3	171.8	-14.3	-140.8	70.3	0	0	0	110.4	N399 V400 Q407 I1532	N399-L1089 WeakPolarHBondContact ND2-CA 3.44Å; N399-L1089 WeakPolarHBondContact O-CD1 3.2Å; V400-L1089 HydrophobicContact CG2-CD1 4.21Å; Q407-L1089 PolarHBondContact NE2-O 2.87Å; L1089-I1532 WeakPolarHBondContact O-CD1 3.44Å
1090	D	30.5	Very low	27.4	Very low	75 Å²	75	93.2 Å²	93.2	40%	0.401	54%	0.538	S	S	.	.			trans	63.9	157.1	153.3	-55.5	-15.8	0	0	0	122.9	I1532	D1090-I1532 WeakPolarHBondContact O-CG2 3.44Å
1091	A	27.7	Very low	27.5	Very low	50 Å²	50	91.4 Å²	91.4	41%	0.413	53%	0.525	S	S	.	.			cis	-179.3	176.4	-24.2	0	0	0	0	0	110.2	E397	E397-A1091 VanDerWaalsContact OE1-CB 3.27Å; E397-A1091 WeakPolarHBondContact OE1-CB 3.48Å
1092	I	30.6	Very low	27.6	Very low	136 Å²	136	90.2 Å²	90.2	70%	0.697	53%	0.526	S	S	*	.			trans	52.4	96.5	151.9	-61.8	153.6	0	0	0	116.4
1093	K	31.3	Very low	27.5	Very low	119 Å²	119	87.6 Å²	87.6	52%	0.517	52%	0.521	S	S	.	.			cis	63	154.3	48.3	-127.5	-169.3	165.8	-173.2	0	112.1	E396	E396-K1093 HydrophobicContact CG-CD 3.75Å; E396-K1093 WeakPolarHBondContact OE1-CD 3.18Å; E396-K1093 WeakPolarHBondContact OE1-CE 3.29Å; E396-K1093 IonicContact OE1-NZ 3.85Å; E396-K1093 PolarHBondContact OE1-NZ 2.86Å; E396-K1093 WeakPolarHBondContact OE2-CD 3.33Å; E396-K1093 IonicContact OE2-NZ 2.59Å
1094	P	38	Very low	27.7	Very low	93 Å²	93	87.4 Å²	87.4	60%	0.604	52%	0.521	S	S	*	.			cis	-136.9	-145.7	-42.2	27.2	-2.7	0	0	0	112.4
1095	T	29.3	Very low	28	Very low	121 Å²	121	91.2 Å²	91.2	74%	0.742	53%	0.526	S	S	*	.			trans	86.1	134.6	144.9	51.8	0	0	0	0	120.1
1096	C	27.6	Very low	28.3	Very low	107 Å²	107	93.5 Å²	93.5	72%	0.723	53%	0.531	S	S	*	.			cis	-160	161.4	-17.4	-135.1	0	0	0	0	115
1097	S	29.1	Very low	28.7	Very low	79 Å²	79	100.1 Å²	100.1	55%	0.552	55%	0.548	S	S	*	.			trans	-23.9	163.2	155.3	64.5	0	0	0	0	119.8
1098	L	30.9	Very low	29	Very low	99 Å²	99	104.8 Å²	104.8	52%	0.518	56%	0.562	S	S	.	*				179.4	57.3	121.7	-91.3	157.5	0	0	0	115.8	R299 K300	R299-L1098 HydrophobicContact CB-CD2 4.28Å; R299-L1098 WeakPolarHBondContact O-CD2 3.47Å; K300-L1098 HydrophobicContact CD-CB 4.49Å; K300-L1098 HydrophobicContact CD-CD2 3.58Å; K300-L1098 PolarHBondContact NZ-O 2.98Å
1099	T	24.8	Very low	29.5	Very low	50 Å²	50	106.2 Å²	106.2	31%	0.307	57%	0.567	S	S	.	*				29	137.1	125.9	41.6	0	0	0	0	121.1	K300 S301 H302	K300-T1099 VanDerWaalsContact C-OG1 3.24Å; K300-T1099 WeakPolarHBondContact CB-O 3.4Å; K300-T1099 WeakPolarHBondContact CB-OG1 3.34Å; K300-T1099 WeakPolarHBondContact CD-O 3.49Å; K300-T1099 WeakPolarHBondContact CE-O 3.19Å; K300-T1099 WeakPolarHBondContact CG-O 3.27Å; K300-T1099 PolarHBondContact NZ-O 3.08Å; K300-T1099 PolarHBondContact O-OG1 3.4Å; S301-T1099 CarbonylContact O-C 3.6Å; H302-T1099 HydrophobicContact CB-CG2 4.42Å
1100	T	24.8	Very low	29.6	Very low	68 Å²	68	112.7 Å²	112.7	42%	0.417	59%	0.593	S	S	.	*			trans	-159.1	81.1	168.4	-18.5	0	0	0	0	119.3	K300 S301 H302	K300-T1100 HydrophobicContact CG-CG2 4.3Å; K300-T1100 PolarHBondContact NZ-OG1 3.17Å; S301-T1100 CarbonylContact O-C 3.06Å; S301-T1100 WeakPolarHBondContact O-CA 3.16Å; S301-T1100 PolarHBondContact O-N 2.93Å; S301-T1100 VanDerWaalsContact O-N 3.11Å; H302-T1100 PolarHBondContact CD2-N 2.94Å; H302-T1100 PolarHBondContact NE2-O 3.38Å
1101	S	26	Very low	29.5	Very low	55 Å²	55	116.4 Å²	116.4	39%	0.385	61%	0.606	S	S	.	*			trans	40.8	133.1	139.1	68.9	0	0	0	0	125.1	S301	S301-S1101 PolarHBondContact O-N 2.99Å
1102	S	26.3	Very low	29.4	Very low	89 Å²	89	122.9 Å²	122.9	62%	0.622	63%	0.627	S	S	*	*			trans	84.3	-174.1	134.7	84.6	0	0	0	0	122.5	L304	L304-S1102 WeakPolarHBondContact CD1-O 3.23Å
1103	T	22.2	Very low	29	Very low	103 Å²	103	119.4 Å²	119.4	63%	0.632	61%	0.612	S	S	*	*			trans	-106.4	175.7	-146	64	0	0	0	0	116.8
1104	N	27.8	Very low	28.8	Very low	139 Å²	139	121.1 Å²	121.1	74%	0.743	63%	0.626	S	S	*	*			trans	90.8	166	141.4	-98.3	-62.7	0	0	0	122.4
1105	Y	28.1	Very low	28.4	Very low	172 Å²	172	122.2 Å²	122.2	68%	0.675	63%	0.627	S	S	*	*			trans	-37.6	145.2	152.1	-76.1	-69	0	0	0	110.5
1106	H	31.1	Very low	28.4	Very low	137 Å²	137	126.7 Å²	126.7	63%	0.634	63%	0.63	S	S	*	*			cis	-172.6	144.3	33.5	-131.4	-12.5	0	0	0	112.4
1107	R	32.7	Very low	28.4	Very low	188 Å²	188	124.8 Å²	124.8	71%	0.709	62%	0.618	S	S	*	*				46.8	118.6	127	-179.1	-172	-112.2	-170.4	2.1	120
1108	K	33.7	Very low	28.3	Very low	151 Å²	151	128.5 Å²	128.5	66%	0.657	62%	0.624	S	S	*	*			trans	88.2	132	144.6	-81.1	175.5	167.3	-161.4	0	122.2
1109	H	38.6	Very low	28.1	Very low	145 Å²	145	131.9 Å²	131.9	67%	0.671	63%	0.634	S	S	*	*			trans	54.5	128.1	137.7	-53.3	-48.9	0	0	0	121.4
1110	K	29.8	Very low	28.2	Very low	190 Å²	190	136.3 Å²	136.3	83%	0.826	65%	0.652	S	S	*	*				-170.4	150.5	125.8	-93.7	148.9	179.7	-177.1	0	106.6
1111	K	28.4	Very low	28.2	Very low	154 Å²	154	136.7 Å²	136.7	67%	0.67	66%	0.657	S	S	*	*			cis	-170.8	135.5	-17.1	-115.4	-176.7	-172.9	179.5	0	107.4	T1113	K1111-T1113 HydrophobicContact CB-CG2 4.16Å; K1111-T1113 HydrophobicContact CD-CG2 3.98Å; K1111-T1113 HydrophobicContact CG-CG2 4.44Å
1112	H	25.9	Very low	28.3	Very low	186 Å²	186	142 Å²	142	86%	0.861	68%	0.676	S	S	*	*				-108.5	103.3	109.9	-98.6	-83	0	0	0	103.6
1113	T	23.1	Very low	28.3	Very low	63 Å²	63	142.3 Å²	142.3	39%	0.387	68%	0.678	S	S	.	*				62	127	82.3	64.6	0	0	0	0	111.5	K1111	K1111-T1113 HydrophobicContact CB-CG2 4.16Å; K1111-T1113 HydrophobicContact CD-CG2 3.98Å; K1111-T1113 HydrophobicContact CG-CG2 4.44Å
1114	L	26.2	Very low	28.4	Very low	154 Å²	154	142.2 Å²	142.2	81%	0.806	67%	0.674	S	S	*	*			trans	68	129.6	163.3	-57.9	152.6	0	0	0	114.3
1115	D	29.2	Very low	28.3	Very low	116 Å²	116	138.6 Å²	138.6	62%	0.62	65%	0.654	S	S	*	*			cis	-125.2	139.4	-3.5	-140.4	2.6	0	0	0	116.8
1116	R	30.1	Very low	28.3	Very low	215 Å²	215	136.7 Å²	136.7	81%	0.811	65%	0.647	S	S	*	*			trans	-74.4	149.9	154.1	166.4	-159.2	-178.5	179.1	0.9	105.2
1117	S	27.6	Very low	28	Very low	67 Å²	67	134.1 Å²	134.1	47%	0.469	64%	0.638	S	S	.	*			trans	69.6	169.4	-179.2	-14.7	0	0	0	0	112
1118	K	26.7	Very low	27.7	Very low	158 Å²	158	127.6 Å²	127.6	69%	0.687	62%	0.621	S	S	*	*			cis	-73.8	165.7	-14.2	-91.7	83.4	177.8	-172.4	0	108.8
1119	K	27.8	Very low	27.2	Very low	169 Å²	169	123.2 Å²	123.2	74%	0.735	61%	0.609	S	S	*	*				44.4	153.1	60.1	-40.1	177.1	-172.4	178	0	109.8
1120	Q	26.5	Very low	26.6	Very low	143 Å²	143	119.9 Å²	119.9	67%	0.668	60%	0.602	S	S	*	*			cis	-126.2	127.4	10.4	-113.1	100.5	-32.5	0	0	105.5
1121	S	24.8	Very low	26.3	Very low	77 Å²	77	115.4 Å²	115.4	54%	0.538	60%	0.595	S	S	.	*				70.8	157.7	73.1	78	0	0	0	0	113.3
1122	H	27.8	Very low	26.1	Very low	166 Å²	166	115.8 Å²	115.8	77%	0.769	60%	0.603	S	S	*	*			trans	63.8	154.2	174.6	-59.6	-69	0	0	0	113
1123	S	25.5	Very low	26	Very low	95 Å²	95	111.5 Å²	111.5	66%	0.664	59%	0.594	S	S	*	*			cis	-145.8	141.3	-6.3	6.7	0	0	0	0	108.9
1124	D	25.8	Very low	26.4	Very low	102 Å²	102	114.4 Å²	114.4	55%	0.545	62%	0.617	S	S	.	*				47.1	115.9	122.2	-50.5	-49	0	0	0	118	H443	H443-D1124 IonicContact CD2-OD1 2.65Å
1125	N	25.6	Very low	26.3	Very low	63 Å²	63	111 Å²	111	34%	0.337	61%	0.606	S	S	.	*				101.7	174.3	107	-93.4	-25	0	0	0	109.6	S442 H443	S442-N1125 PolarHBondContact OG-ND2 2.71Å; S442-N1125 VanDerWaalsContact OG-ND2 3.17Å; S442-N1125 PolarHBondContact OG-OD1 2.99Å; H443-N1125 PolarHBondContact CD2-OD1 3.44Å; H443-N1125 VanDerWaalsContact CD2-OD1 3.24Å; H443-N1125 PolarHBondContact NE2-N 3.01Å; H443-N1125 PolarHBondContact NE2-OD1 2.89Å
1126	Y	27.7	Very low	26.2	Very low	132 Å²	132	110 Å²	110	52%	0.518	61%	0.608	S	S	.	*			cis	-119.9	161.3	-21.8	-112.9	-70.1	0	0	0	106.6	S442 K446	S442-Y1126 WeakPolarHBondContact CB-OH 3.45Å; K446-Y1126 PolarHBondContact NZ-O 2.85Å
1127	D	25.5	Very low	26.2	Very low	83 Å²	83	104.5 Å²	104.5	44%	0.444	60%	0.603	S	S	.	*			trans	56.8	179.6	141.4	-79.5	21.8	0	0	0	122.1	K446 M1815 M1817	K446-D1127 WeakPolarHBondContact CE-O 3.47Å; K446-D1127 PolarHBondContact NZ-O 3.29Å; D1127-M1815 VanDerWaalsContact O-CE 3.24Å; D1127-M1815 WeakPolarHBondContact O-CE 3.29Å; D1127-M1817 HydrophobicContact CB-CE 4.5Å
1128	S	24.8	Very low	26.6	Very low	51 Å²	51	108.9 Å²	108.9	36%	0.357	62%	0.62	S	S	.	*			cis	-142.1	171.6	-29.7	-119.6	0	0	0	0	112.2
1129	S	24.5	Very low	26.6	Very low	58 Å²	58	105.5 Å²	105.5	41%	0.406	62%	0.616	S	S	.	*			trans	36.3	155.3	148.6	62.5	0	0	0	0	123.8
1130	S	24.5	Very low	26.6	Very low	76 Å²	76	102.9 Å²	102.9	53%	0.531	62%	0.618	S	S	.	*			trans	62.7	143.4	158.1	39.1	0	0	0	0	118.2
1131	S	23.9	Very low	26.8	Very low	96 Å²	96	102.5 Å²	102.5	67%	0.671	62%	0.62	S	S	*	*			cis	-139.4	162.1	-9.9	-71.4	0	0	0	0	107.4
1132	L	24.9	Very low	27.1	Very low	162 Å²	162	108 Å²	108	85%	0.848	63%	0.634	S	S	*	*				34.6	136.2	80.1	-44.7	169.9	0	0	0	113.5
1133	S	23.5	Very low	27.3	Very low	95 Å²	95	107.3 Å²	107.3	66%	0.664	64%	0.635	S	S	*	*			cis	-161.3	154.6	-7.7	22.5	0	0	0	0	105.8
1134	S	30.6	Very low	27.3	Very low	124 Å²	124	109.7 Å²	109.7	87%	0.867	64%	0.636	S	S	*	*				65.3	67.8	54.1	-61.6	0	0	0	0	114.5
1135	S	25.4	Very low	27.3	Very low	83 Å²	83	109.9 Å²	109.9	58%	0.58	64%	0.635	S	S	*	*			trans	-168.2	145.8	153.1	51.3	0	0	0	0	107.9
1136	S	27	Very low	27.4	Very low	94 Å²	94	112.9 Å²	112.9	66%	0.657	65%	0.651	S	S	*	*			cis	-146.8	146.7	-19.8	28.7	0	0	0	0	105.5
1137	S	29.9	Very low	27.3	Very low	101 Å²	101	113.4 Å²	113.4	71%	0.706	66%	0.656	S	S	*	*	S	Bend	cis	60.6	84.1	13.8	83.7	0	0	0	0	115.6
1138	L	34.9	Very low	27.6	Very low	159 Å²	159	114.8 Å²	114.8	83%	0.832	66%	0.656	S	S	*	*			trans	66.1	173	161.4	-44.5	170.6	0	0	0	111.1
1139	C	28.3	Very low	27.8	Very low	87 Å²	87	118.9 Å²	118.9	59%	0.588	66%	0.664	S	S	*	*			cis	-144.3	176.3	21.7	-85.5	0	0	0	0	107.4	L1141	C1139-L1141 HydrophobicContact CB-CD1 3.69Å; C1139-L1141 HydrophobicContact CB-CG 3.99Å; C1139-L1141 VanDerWaalsContact SG-CD1 3.53Å
1140	S	26.3	Very low	27.7	Very low	113 Å²	113	119.2 Å²	119.2	79%	0.79	67%	0.666	S	S	*	*				-168.9	130.1	62	-65.6	0	0	0	0	111.3
1141	L	31.9	Very low	27.8	Very low	135 Å²	135	123.4 Å²	123.4	71%	0.707	68%	0.681	S	S	*	*				78.2	110.2	54.4	-73	177	0	0	0	113.5	C1139	C1139-L1141 HydrophobicContact CB-CD1 3.69Å; C1139-L1141 HydrophobicContact CB-CG 3.99Å; C1139-L1141 VanDerWaalsContact SG-CD1 3.53Å
1142	K	30.7	Very low	27.7	Very low	193 Å²	193	123.2 Å²	123.2	84%	0.839	68%	0.68	S	S	*	*			trans	177.8	130.7	146.4	-111.6	87.1	163.6	-163.1	0	103.6
1143	L	31	Very low	27.7	Very low	151 Å²	151	121.2 Å²	121.2	79%	0.791	68%	0.68	S	S	*	*			cis	-149	164.9	6.4	-79.9	170.7	0	0	0	107.3
1144	H	26.8	Very low	27.8	Very low	146 Å²	146	121.8 Å²	121.8	68%	0.676	68%	0.683	S	S	*	*			cis	-176.5	126.7	-15.6	165	-90.2	0	0	0	111.9
1145	M	25.1	Very low	27.5	Very low	105 Å²	105	119.9 Å²	119.9	52%	0.517	68%	0.676	S	S	.	*			trans	57.9	128.1	161.4	-57.1	-70.5	98.4	0	0	118.2
1146	D	28.5	Very low	27.5	Very low	127 Å²	127	121 Å²	121	68%	0.679	68%	0.684	S	S	*	*				67.2	120.5	52.6	-64.7	-63.4	0	0	0	114.8
1147	K	26.1	Very low	27.2	Very low	142 Å²	142	121.6 Å²	121.6	62%	0.617	69%	0.688	S	S	*	*				176.1	132	107.4	-97.9	155.8	-173.6	161.9	0	116.8
1148	Y	29.9	Very low	26.9	Very low	113 Å²	113	120.4 Å²	120.4	44%	0.443	68%	0.679	S	S	.	*			trans	68.2	151.8	159.1	-44.2	-48.5	0	0	0	116.5	L1828 H1829	Y1148-L1828 HydrophobicContact CE1-CD2 4.25Å; Y1148-L1828 WeakPolarHBondContact OH-CA 3.41Å; Y1148-L1828 PolarHBondContact OH-N 3.37Å; Y1148-H1829 AromaticContact CD1-CE1 3.99Å; Y1148-H1829 AromaticContact CD1-ND1 3.9Å
1149	Y	30.6	Very low	26.7	Very low	136 Å²	136	119.2 Å²	119.2	53%	0.533	68%	0.681	S	S	.	*			cis	-122	179.7	11.8	-123.1	-87	0	0	0	115.1	H1829 S1831	Y1149-H1829 AromaticContact CD1-CE1 3.93Å; Y1149-H1829 AromaticContact CE1-CE1 3.44Å; Y1149-H1829 VanDerWaalsContact CE1-CE1 3.44Å; Y1149-H1829 WeakPolarHBondContact CE1-CE1 3.32Å; Y1149-H1829 AromaticContact CE1-ND1 3.42Å; Y1149-H1829 WeakPolarHBondContact CE1-ND1 3.24Å; Y1149-H1829 AromaticContact CE2-ND1 3.77Å; Y1149-H1829 AromaticContact CZ-CE1 3.68Å; Y1149-H1829 AromaticContact CZ-CG 3.78Å; Y1149-H1829 AromaticContact CZ-ND1 3.14Å; Y1149-H1829 VanDerWaalsContact OH-CB 3.23Å; Y1149-H1829 WeakPolarHBondContact OH-CB 3.45Å; Y1149-H1829 PolarHBondContact OH-ND1 2.71Å; Y1149-S1831 WeakPolarHBondContact OH-CB 3.39Å; Y1149-S1831 PolarHBondContact OH-N 3.05Å
1150	S	22.5	Very low	26.6	Very low	65 Å²	65	118.7 Å²	118.7	46%	0.455	67%	0.667	S	S	.	*			trans	-108	141.2	-162.6	-47	0	0	0	0	114.3	H1829	S1150-H1829 PolarHBondContact OG-CE1 2.91Å
1151	I	25.1	Very low	26.5	Very low	164 Å²	164	116.7 Å²	116.7	84%	0.841	65%	0.652	S	S	*	*			trans	175.4	112.6	132.4	-92.1	152.7	0	0	0	107.7
1152	S	23	Very low	26	Very low	93 Å²	93	111.3 Å²	111.3	65%	0.65	63%	0.626	S	S	*	*				93.3	80.8	55.1	-71.4	0	0	0	0	115.1
1153	S	25.2	Very low	25.6	Very low	120 Å²	120	104.1 Å²	104.1	84%	0.839	60%	0.595	S	S	*	*			trans	74.8	46.4	141.3	65.6	0	0	0	0	121.1
1154	S	24.2	Very low	25.5	Very low	106 Å²	106	101.5 Å²	101.5	74%	0.741	58%	0.582	S	S	*	*			trans	-114.7	133.9	155.3	-59.5	0	0	0	0	107.9
1155	A	24.7	Very low	25.4	Very low	85 Å²	85	97.4 Å²	97.4	70%	0.702	56%	0.563	S	S	*	*			cis	60.9	103.7	11.9	0	0	0	0	0	113.6
1156	S	25.6	Very low	25.7	Very low	107 Å²	107	96.5 Å²	96.5	75%	0.748	56%	0.56	S	S	*	*			trans	60	146.1	-150.1	6.3	0	0	0	0	111.3
1157	S	21.8	Very low	25.6	Very low	106 Å²	106	95.6 Å²	95.6	74%	0.741	55%	0.552	S	S	*	*			cis	-153.4	150	-2	-0.5	0	0	0	0	106.6
1158	S	23.1	Very low	25.9	Very low	75 Å²	75	94.3 Å²	94.3	52%	0.524	55%	0.552	S	S	.	*			cis	-151.6	126.6	8	-92.8	0	0	0	0	110.7	R1160	S1158-R1160 PolarHBondContact O-N 3.3Å
1159	P	30.7	Very low	25.6	Very low	135 Å²	135	91.5 Å²	91.5	88%	0.877	55%	0.547	S	S	*	.	S	Bend	trans	-84.4	20.1	148.9	40	-35.1	0	0	0	110.1
1160	R	24.7	Very low	25.6	Very low	76 Å²	76	90 Å²	90	29%	0.287	54%	0.544	S	S	.	.			trans	-93.1	115.8	175.5	-76	-178	68.5	-145	-2.7	104.6	Y259 S1158	Y259-R1160 VanDerWaalsContact CG-NH2 3.29Å; S1158-R1160 PolarHBondContact O-N 3.3Å
1161	S	25.6	Very low	25.9	Very low	70 Å²	70	92.3 Å²	92.3	49%	0.49	55%	0.548	S	S	.	.				75.4	135.4	82.5	-56.3	0	0	0	0	108.9	L363	L363-S1161 CarbonylContact O-C 3.43Å; L363-S1161 VanDerWaalsContact O-O 3.07Å
1162	S	22	Very low	25.8	Very low	23 Å²	23	88.3 Å²	88.3	16%	0.161	53%	0.526	C	S	.	.			cis	-146.2	-148.5	45.5	-56.1	0	0	0	0	114.9	T362 L363 K364	T362-S1162 CarbonylContact O-C 3.27Å; T362-S1162 VanDerWaalsContact O-C 3.24Å; L363-S1162 VanDerWaalsContact CA-N 3.34Å; L363-S1162 VanDerWaalsContact CD2-O 3.28Å; L363-S1162 WeakPolarHBondContact CD2-O 3.11Å; L363-S1162 PolarHBondContact O-N 2.94Å; K364-S1162 WeakPolarHBondContact CD-OG 3.5Å; K364-S1162 VanDerWaalsContact CG-CB 3.47Å; K364-S1162 WeakPolarHBondContact CG-OG 3.32Å; K364-S1162 VanDerWaalsContact NZ-CB 3.28Å; K364-S1162 PolarHBondContact NZ-OG 3.36Å
1163	Q	22	Very low	25.9	Very low	41 Å²	41	89.9 Å²	89.9	19%	0.192	52%	0.523	C	S	.	.			trans	61.3	144.6	134	-77.3	-168.6	-91.9	0	0	120.4	T362 K364	T362-Q1163 HydrophobicContact CG2-CB 3.66Å; T362-Q1163 HydrophobicContact CG2-CG 4.48Å; T362-Q1163 PolarHBondContact N-O 3.2Å; T362-Q1163 CarbonylContact O-C 3.22Å; K364-Q1163 HydrophobicContact CG-CG 4.25Å
1164	L	28.2	Very low	25.8	Very low	96 Å²	96	89.2 Å²	89.2	50%	0.503	51%	0.506	S	S	.	.			cis	71.4	49.8	12.5	-38.5	162.4	0	0	0	114.6	D1166	L1164-D1166 WeakPolarHBondContact CA-OD2 3.27Å; L1164-D1166 WeakPolarHBondContact CB-OD2 3.09Å; L1164-D1166 VanDerWaalsContact CD2-OD1 3.24Å; L1164-D1166 WeakPolarHBondContact CD2-OD1 3.44Å
1165	E	24.7	Very low	25.8	Very low	61 Å²	61	91.4 Å²	91.4	29%	0.285	51%	0.505	S	S	.	.				-95	136.3	81.7	-65.2	122.6	-99.6	0	0	103.4	K361 T362 E1167	K361-E1165 CarbonylContact C-O 3.54Å; K361-E1165 HydrophobicContact CB-CB 3.7Å; K361-E1165 HydrophobicContact CD-CB 3.9Å; K361-E1165 HydrophobicContact CG-CB 3.72Å; K361-E1165 IonicContact NZ-OE2 2.69Å; K361-E1165 PolarHBondContact NZ-OE2 3.35Å; T362-E1165 VanDerWaalsContact CB-OE1 3.29Å; T362-E1165 WeakPolarHBondContact CB-OE1 3.4Å; T362-E1165 VanDerWaalsContact CG2-OE1 3.24Å; T362-E1165 WeakPolarHBondContact CG2-OE1 3.31Å; T362-E1165 PolarHBondContact N-O 3.04Å; T362-E1165 PolarHBondContact OG1-OE1 2.91Å; T362-E1165 PolarHBondContact OG1-OE2 2.77Å; E1165-E1167 HydrophobicContact CB-CB 4.35Å; E1165-E1167 HydrophobicContact CB-CG 3.79Å; E1165-E1167 HydrophobicContact CG-CG 3.74Å
1166	D	31.3	Very low	26	Very low	86 Å²	86	95.4 Å²	95.4	46%	0.46	51%	0.509	S	S	.	.			cis	55	-176.6	26.2	-34.4	-49.6	0	0	0	109.9	L1164	L1164-D1166 WeakPolarHBondContact CA-OD2 3.27Å; L1164-D1166 WeakPolarHBondContact CB-OD2 3.09Å; L1164-D1166 VanDerWaalsContact CD2-OD1 3.24Å; L1164-D1166 WeakPolarHBondContact CD2-OD1 3.44Å
1167	E	27.3	Very low	25.9	Very low	107 Å²	107	95.3 Å²	95.3	50%	0.5	50%	0.5	S	S	.	.			trans	56.1	79.2	174.8	-23.1	-67.6	116.1	0	0	110.6	E1165	E1165-E1167 HydrophobicContact CB-CB 4.35Å; E1165-E1167 HydrophobicContact CB-CG 3.79Å; E1165-E1167 HydrophobicContact CG-CG 3.74Å
1168	D	31.2	Very low	26	Very low	115 Å²	115	92.5 Å²	92.5	62%	0.615	48%	0.48	S	S	*	.				48.1	83.1	56.1	-30.6	-62.4	0	0	0	107.5
1169	V	23.6	Very low	26.2	Very low	55 Å²	55	97 Å²	97	33%	0.333	50%	0.499	S	S	.	.				-131.6	127.5	124.5	-164.4	0	0	0	0	101.4	M356 L357	M356-V1169 CarbonylContact C-O 3.6Å; M356-V1169 VanDerWaalsContact C-O 3.27Å; M356-V1169 CarbonylContact O-C 3.55Å; M356-V1169 WeakPolarHBondContact O-CB 3.24Å; M356-V1169 WeakPolarHBondContact O-CG1 3.49Å; L357-V1169 HydrophobicContact CB-CB 4.08Å; L357-V1169 HydrophobicContact CB-CG2 4.37Å; L357-V1169 HydrophobicContact CD1-CB 4.3Å; L357-V1169 HydrophobicContact CD1-CG2 4.04Å; L357-V1169 HydrophobicContact CG-CB 4.4Å; L357-V1169 PolarHBondContact N-O 2.88Å
1170	E	31.6	Very low	26.4	Very low	104 Å²	104	92.4 Å²	92.4	49%	0.486	47%	0.469	S	S	.	.			cis	70.6	167.8	38.7	-47.9	163.3	125.4	0	0	109.2	I354 S355 M356	I354-E1170 CarbonylContact O-C 3.58Å; I354-E1170 VanDerWaalsContact O-CA 3.31Å; I354-E1170 WeakPolarHBondContact O-CA 3.17Å; I354-E1170 PolarHBondContact O-N 3.45Å; I354-E1170 VanDerWaalsContact O-N 3.1Å; S355-E1170 CarbonylContact C-O 3.56Å; S355-E1170 WeakPolarHBondContact CA-O 3.09Å; S355-E1170 WeakPolarHBondContact CB-O 3.28Å; S355-E1170 PolarHBondContact OG-O 3.47Å; S355-E1170 VanDerWaalsContact OG-O 3.14Å; M356-E1170 CarbonylContact C-O 3.59Å; M356-E1170 PolarHBondContact N-O 3.36Å
1171	E	28.3	Very low	26.7	Very low	113 Å²	113	95.6 Å²	95.6	53%	0.528	49%	0.491	S	S	.	.			cis	-99.4	-91.4	-26.4	-76.2	78.1	-171.6	0	0	110.5	T353 I354 S355	T353-E1171 WeakPolarHBondContact CB-O 2.93Å; T353-E1171 PolarHBondContact OG1-O 3.07Å; I354-E1171 CarbonylContact C-O 3.59Å; S355-E1171 PolarHBondContact N-O 3.23Å
1172	E	23.4	Very low	27.1	Very low	80 Å²	80	94 Å²	94	37%	0.374	49%	0.485	S	S	.	.			trans	17.6	140.8	151.4	-8.4	165	148.6	0	0	119.8	T353 I354 S355 E1174	T353-E1172 WeakPolarHBondContact CB-O 3.44Å; T353-E1172 WeakPolarHBondContact CG2-O 3.49Å; I354-E1172 CarbonylContact C-O 3.05Å; S355-E1172 WeakPolarHBondContact CA-O 3.37Å; S355-E1172 VanDerWaalsContact CB-CB 3.46Å; S355-E1172 WeakPolarHBondContact CB-O 3.39Å; S355-E1172 WeakPolarHBondContact CB-OE2 3.23Å; S355-E1172 PolarHBondContact N-O 3.44Å; S355-E1172 WeakPolarHBondContact OG-CG 3.26Å; S355-E1172 PolarHBondContact OG-OE2 2.93Å; E1172-E1174 WeakPolarHBondContact CB-OE1 3.48Å
1173	E	23.7	Very low	27.5	Very low	127 Å²	127	96.9 Å²	96.9	59%	0.593	51%	0.505	S	S	*	.			cis	-110.3	106.8	1.3	-62.6	128.9	-137.6	0	0	109.5	T353	T353-E1173 WeakPolarHBondContact CG2-O 3.42Å
1174	E	24.7	Very low	28.1	Very low	105 Å²	105	99.9 Å²	99.9	49%	0.491	52%	0.523	S	S	.	.				48.5	146.5	95.6	-64.6	141.1	-167.1	0	0	117.4	E1172	E1172-E1174 WeakPolarHBondContact CB-OE1 3.48Å
1175	E	23.7	Very low	28.4	Very low	153 Å²	153	102.2 Å²	102.2	72%	0.715	53%	0.526	S	S	*	.			cis	-158.3	-172.5	-4	-124.8	170.8	152.3	0	0	109.8	D1177	E1175-D1177 VanDerWaalsContact C-N 3.25Å; E1175-D1177 PolarHBondContact O-N 2.97Å
1176	E	28.6	Very low	28.9	Very low	169 Å²	169	106 Å²	106	79%	0.79	54%	0.544	S	S	*	.			trans	-71.2	72.1	160.4	-65.5	177	116.8	0	0	111.4	D1358 T1359	E1176-D1358 CarbonylContact O-C 3.55Å; E1176-T1359 PolarHBondContact O-N 3.05Å
1177	D	22.7	Very low	29	Very low	105 Å²	105	104.9 Å²	104.9	56%	0.561	54%	0.543	S	S	*	.			trans	-112.3	74.1	177.2	-101.6	5.1	0	0	0	115.1	E1175 D1179 T1359	E1175-D1177 VanDerWaalsContact C-N 3.25Å; E1175-D1177 PolarHBondContact O-N 2.97Å; D1177-D1179 PolarHBondContact O-N 3.42Å; D1177-T1359 VanDerWaalsContact OD1-CA 3.28Å; D1177-T1359 WeakPolarHBondContact OD1-CA 3.44Å; D1177-T1359 WeakPolarHBondContact OD1-CG2 3.37Å; D1177-T1359 PolarHBondContact OD1-N 2.97Å
1178	S	24	Very low	29.3	Very low	46 Å²	46	107.1 Å²	107.1	32%	0.322	56%	0.558	S	S	.	*				55.7	33.3	105.5	82	0	0	0	0	120.1	S1180 T1359	S1178-S1180 PolarHBondContact O-N 3.27Å; S1178-T1359 WeakPolarHBondContact OG-CG2 3.46Å
1179	D	27.4	Very low	29.6	Very low	170 Å²	170	106.9 Å²	106.9	91%	0.909	57%	0.565	S	S	*	*	S	Bend	trans	-69.3	35.1	162.2	-148.7	5.4	0	0	0	112.3	D1177	D1177-D1179 PolarHBondContact O-N 3.42Å
1180	S	36.1	Very low	29.7	Very low	38 Å²	38	109.5 Å²	109.5	27%	0.266	59%	0.586	S	S	.	*	S	Bend	trans	172.4	130.8	153.5	25.8	0	0	0	0	110	S1178 N1356 S1357	S1178-S1180 PolarHBondContact O-N 3.27Å; S1180-N1356 PolarHBondContact OG-ND2 2.82Å; S1180-S1357 WeakPolarHBondContact O-CA 3.24Å; S1180-S1357 WeakPolarHBondContact O-CB 3.37Å
1181	I	30.7	Very low	29.8	Very low	143 Å²	143	108.4 Å²	108.4	73%	0.733	59%	0.588	S	S	*	*			cis	-159.5	105.7	-3.9	-63.9	124.1	0	0	0	110.1
1182	G	34.2	Very low	29.8	Very low	36 Å²	36	105.5 Å²	105.5	37%	0.371	58%	0.581	S	S	.	*			trans	125.6	100.8	157	0	0	0	0	0	124.2	D1358	G1182-D1358 WeakPolarHBondContact CA-OD1 3.01Å; G1182-D1358 PolarHBondContact N-OD1 2.77Å; G1182-D1358 VanDerWaalsContact O-CG 3.3Å
1183	S	30.8	Very low	29.8	Very low	84 Å²	84	106.2 Å²	106.2	59%	0.587	59%	0.593	S	S	*	*				80.8	118	125.9	56	0	0	0	0	125.4
1184	D	33.2	Very low	29.9	Very low	105 Å²	105	103.5 Å²	103.5	56%	0.561	59%	0.588	S	S	*	*				105.1	117.6	121.4	-76	16	0	0	0	123.7
1185	Y	34.9	Very low	29.9	Very low	144 Å²	144	103.8 Å²	103.8	57%	0.565	60%	0.602	S	S	*	*			trans	70.5	113.5	157.1	-55.8	-69.8	0	0	0	123.9	N1361	Y1185-N1361 VanDerWaalsContact C-ND2 3.3Å; Y1185-N1361 PolarHBondContact O-ND2 3.26Å
1186	E	35.9	Very low	29.9	Very low	141 Å²	141	104.3 Å²	104.3	66%	0.659	61%	0.608	S	S	*	*				42.7	151.6	110.3	-63.1	-146.6	68.7	0	0	123.2	N1361 N1363	E1186-N1361 PolarHBondContact N-ND2 2.87Å; E1186-N1363 VanDerWaalsContact C-ND2 3.32Å; E1186-N1363 PolarHBondContact O-ND2 3.49Å
1187	S	33.8	Very low	29.8	Very low	63 Å²	63	99.9 Å²	99.9	44%	0.441	61%	0.608	S	S	.	*			cis	-172.4	171.3	-11.6	-97.3	0	0	0	0	113.4
1188	D	33	Very low	30.1	Very low	153 Å²	153	100.3 Å²	100.3	82%	0.818	62%	0.618	S	S	*	*			trans	82	121.6	149.3	-105.5	-21.9	0	0	0	125.1
1189	S	37.1	Very low	30.2	Very low	110 Å²	110	102.9 Å²	102.9	77%	0.769	63%	0.634	S	S	*	*			trans	79	124.3	141.9	75.6	0	0	0	0	123.2
1190	S	26.1	Very low	30	Very low	111 Å²	111	102.1 Å²	102.1	78%	0.776	63%	0.628	S	S	*	*			trans	-97.4	-176	170.6	66.8	0	0	0	0	110.9
1191	P	33	Very low	29.4	Very low	81 Å²	81	104.2 Å²	104.2	53%	0.526	64%	0.643	S	S	.	*			cis	-145.2	-165	10.2	38.6	-15.3	0	0	0	117.3	S1368	P1191-S1368 WeakPolarHBondContact O-CB 3.48Å; P1191-S1368 PolarHBondContact O-OG 3.04Å
1192	S	27.8	Very low	29	Very low	52 Å²	52	99.9 Å²	99.9	36%	0.364	63%	0.625	S	S	.	*			trans	96.3	178.2	131.9	66	0	0	0	0	121.6	S1368 G1370	S1192-S1368 WeakPolarHBondContact O-CA 3.05Å; S1192-S1368 PolarHBondContact O-N 3.22Å; S1192-G1370 VanDerWaalsContact CB-CA 3.41Å; S1192-G1370 VanDerWaalsContact CB-N 3.31Å; S1192-G1370 WeakPolarHBondContact OG-CA 3.44Å; S1192-G1370 PolarHBondContact OG-N 2.75Å
1193	C	23.6	Very low	28.7	Very low	94 Å²	94	103.9 Å²	103.9	64%	0.635	63%	0.632	S	S	*	*			trans	-110	-162.6	-130	-46.5	0	0	0	0	118.3	P1369 G1370	C1193-P1369 CarbonylContact C-O 3.58Å; C1193-P1369 VanDerWaalsContact N-C 3.3Å; C1193-P1369 CarbonylContact O-C 3.51Å; C1193-P1369 WeakPolarHBondContact O-CD 3.45Å; C1193-P1369 VanDerWaalsContact O-N 3.12Å; C1193-G1370 VanDerWaalsContact N-N 3.19Å
1194	S	25.5	Very low	28.8	Very low	71 Å²	71	101 Å²	101	50%	0.497	61%	0.612	S	S	.	*			trans	98.8	100.5	144.1	82.3	0	0	0	0	122.9	P1369	S1194-P1369 PolarHBondContact OG-O 2.93Å
1195	S	25.2	Very low	28.7	Very low	110 Å²	110	99.9 Å²	99.9	77%	0.769	61%	0.61	S	S	*	*				70	116.5	123.3	-57.2	0	0	0	0	122.6
1196	I	23.4	Very low	28.1	Very low	165 Å²	165	98.9 Å²	98.9	85%	0.846	61%	0.614	S	S	*	*				164	141.4	118	-85.1	156.1	0	0	0	111.7
1197	G	27.9	Very low	27.6	Very low	76 Å²	76	98 Å²	98	78%	0.784	61%	0.613	S	S	*	*			trans	104.6	113.5	143.8	0	0	0	0	0	119.5
1198	S	27.8	Very low	27.1	Very low	113 Å²	113	102.3 Å²	102.3	79%	0.79	63%	0.626	S	S	*	*			trans	-101.4	163.9	153	63	0	0	0	0	108.6
1199	P	26.5	Very low	26.7	Very low	100 Å²	100	101.6 Å²	101.6	65%	0.649	62%	0.617	S	S	*	*			cis	-137.3	-145.6	6.6	29.5	-2	0	0	0	112.1
1200	I	22.8	Very low	26.1	Very low	154 Å²	154	102.8 Å²	102.8	79%	0.79	61%	0.61	S	S	*	*			trans	75.9	-179.5	153.9	-66.6	163.3	0	0	0	117.2
1201	S	23.8	Very low	26	Very low	82 Å²	82	100.6 Å²	100.6	57%	0.573	59%	0.59	S	S	*	*			trans	108.8	169.3	159.6	-57.7	0	0	0	0	121.5	L336	L336-S1201 PolarHBondContact N-O 3.5Å
1202	C	23.2	Very low	25.6	Very low	53 Å²	53	100.6 Å²	100.6	36%	0.358	59%	0.585	S	S	.	*				-165.8	107.1	-88.8	-97.6	0	0	0	0	119.2	L336 M337	L336-C1202 CarbonylContact O-C 3.28Å; L336-C1202 VanDerWaalsContact O-C 3.24Å; L336-C1202 VanDerWaalsContact O-CA 3.3Å; L336-C1202 WeakPolarHBondContact O-CA 3.49Å; L336-C1202 PolarHBondContact O-N 2.73Å; M337-C1202 WeakPolarHBondContact CE-O 3.19Å
1203	K	27.1	Very low	25.4	Very low	119 Å²	119	102 Å²	102	52%	0.517	59%	0.586	S	S	.	*			trans	84.4	103.1	166.6	-157.7	178.7	-177.8	-177.2	0	115.9	Q335 L336 M337 S1330	Q335-K1203 VanDerWaalsContact CG-CA 3.5Å; Q335-K1203 HydrophobicContact CG-CB 4.08Å; L336-K1203 PolarHBondContact O-N 2.75Å; M337-K1203 WeakPolarHBondContact CE-O 3.11Å; K1203-S1330 PolarHBondContact NZ-OG 2.89Å
1204	S	32.2	Very low	25.4	Very low	23 Å²	23	102.4 Å²	102.4	16%	0.161	58%	0.581	C	S	.	*			cis	67.2	129.1	25.1	-57.4	0	0	0	0	118.7	L336 M337 T338	L336-S1204 PolarHBondContact O-OG 2.62Å; M337-S1204 WeakPolarHBondContact CA-OG 3.32Å; M337-S1204 PolarHBondContact N-OG 2.99Å; T338-S1204 WeakPolarHBondContact OG1-CA 3.19Å; T338-S1204 PolarHBondContact OG1-N 3.11Å; T338-S1204 VanDerWaalsContact OG1-N 3.07Å
1205	P	31.9	Very low	25.4	Very low	82 Å²	82	103.7 Å²	103.7	53%	0.532	58%	0.582	S	S	.	*			cis	-127.8	-138.3	-22.3	33.4	-10.4	0	0	0	109.9	T338	T338-P1205 HydrophobicContact CG2-CB 4.13Å
1206	L	23.3	Very low	25.5	Very low	124 Å²	124	103.6 Å²	103.6	65%	0.649	58%	0.582	S	S	*	*			trans	78.8	158.4	167.2	-53.8	161.1	0	0	0	113.8
1207	I	24.5	Very low	25.7	Very low	121 Å²	121	104.5 Å²	104.5	62%	0.621	58%	0.582	S	S	*	*			cis	-129.9	133.2	24.6	-62.6	169.9	0	0	0	107.3
1208	H	23.9	Very low	25.5	Very low	154 Å²	154	106.7 Å²	106.7	71%	0.713	58%	0.584	S	S	*	*				58.1	158.9	78.3	-115.4	-94.6	0	0	0	113.8
1209	H	24.8	Very low	25.3	Very low	139 Å²	139	106.5 Å²	106.5	64%	0.644	58%	0.581	S	S	*	*			trans	66.3	144.4	-175.9	-68.6	-92.7	0	0	0	115.4
1210	E	23.6	Very low	25.2	Very low	134 Å²	134	106.8 Å²	106.8	63%	0.626	59%	0.585	S	S	*	*			cis	-163.2	170.1	-29.6	-127.9	-179.6	176.7	0	0	109.5
1211	L	23.7	Very low	25.2	Very low	65 Å²	65	108.3 Å²	108.3	34%	0.34	58%	0.582	S	S	.	*			trans	47	128.8	140.6	-61.7	-145.7	0	0	0	122.2	T1885 P1886 E1887	L1211-T1885 VanDerWaalsContact CD2-C 3.43Å; L1211-T1885 VanDerWaalsContact CD2-O 3.3Å; L1211-T1885 WeakPolarHBondContact CD2-O 3.25Å; L1211-P1886 WeakPolarHBondContact CD1-O 3.3Å; L1211-P1886 VanDerWaalsContact CD2-N 3.29Å; L1211-P1886 WeakPolarHBondContact CD2-O 3.12Å; L1211-E1887 WeakPolarHBondContact CD1-O 3.4Å
1212	N	24.6	Very low	25.2	Very low	81 Å²	81	113.6 Å²	113.6	43%	0.433	59%	0.589	S	S	.	*				79.1	158.1	125.8	-67.5	4.6	0	0	0	120.7	E1887 N1888	N1212-E1887 PolarHBondContact ND2-O 2.84Å; N1212-E1887 PolarHBondContact OD1-N 3.36Å; N1212-N1888 PolarHBondContact ND2-N 2.74Å
1213	E	23.7	Very low	25.2	Very low	82 Å²	82	117.1 Å²	117.1	38%	0.383	60%	0.6	S	S	.	*			cis	-171.6	-164.4	-22.9	-175.5	173	-101	0	0	104.7	E1887 N1888	E1213-E1887 WeakPolarHBondContact OE1-CA 3.43Å; E1213-N1888 PolarHBondContact OE1-N 3.21Å
1214	I	24.7	Very low	25	Very low	102 Å²	102	117.5 Å²	117.5	52%	0.523	61%	0.605	S	S	.	*			trans	65.6	90.3	157.9	-50.8	177.5	0	0	0	115.9
1215	N	25	Very low	24.7	Very low	99 Å²	99	119.7 Å²	119.7	53%	0.529	61%	0.612	S	S	.	*				39	126.9	114.4	-53.3	-43	0	0	0	119.7	T1434	N1215-T1434 PolarHBondContact OD1-O 2.85Å
1216	S	27.4	Very low	24.5	Very low	108 Å²	108	125.3 Å²	125.3	76%	0.755	62%	0.623	S	S	*	*				-172.9	142.4	103.2	32.9	0	0	0	0	113.9
1217	E	26.9	Very low	24.6	Very low	183 Å²	183	121.5 Å²	121.5	86%	0.855	60%	0.601	S	S	*	*			trans	30.7	118.2	141	-50.2	-176.9	157.9	0	0	118.2
1218	C	24.5	Very low	24.6	Very low	122 Å²	122	124.5 Å²	124.5	82%	0.824	60%	0.604	S	S	*	*				-164.8	171	72.2	-107.8	0	0	0	0	112.9
1219	P	23.3	Very low	24.8	Very low	110 Å²	110	125.2 Å²	125.2	71%	0.714	61%	0.605	S	S	*	*			trans	-110.9	173.6	-143.7	42.9	-40.2	0	0	0	116.7
1220	S	24	Very low	24.9	Very low	106 Å²	106	124.8 Å²	124.8	74%	0.741	61%	0.608	S	S	*	*				16.1	130.3	128.7	-158.4	0	0	0	0	119.2
1221	Y	23.5	Very low	25	Very low	186 Å²	186	122.3 Å²	122.3	73%	0.729	61%	0.606	S	S	*	*	S	Bend	trans	33.6	120.5	136.8	-116.4	-112.7	0	0	0	120.1
1222	R	23	Very low	25.2	Very low	192 Å²	192	127 Å²	127	73%	0.725	63%	0.626	S	S	*	*			trans	72.2	125	150.3	-77.2	-179.1	-174.5	167.4	2.7	119.7
1223	H	23.5	Very low	25.3	Very low	127 Å²	127	126.1 Å²	126.1	59%	0.588	62%	0.623	S	S	*	*				84.6	103.3	129.7	-75	-31	0	0	0	120.1
1224	M	23.6	Very low	25.5	Very low	127 Å²	127	126.6 Å²	126.6	63%	0.626	63%	0.631	S	S	*	*			trans	73.7	159.9	137.4	-50.4	-178.1	-143	0	0	113.2
1225	K	24.8	Very low	25.6	Very low	69 Å²	69	125 Å²	125	30%	0.3	62%	0.624	S	S	.	*			cis	-146.3	122.5	29	-52.6	85.8	-154.4	173	0	111.2	F2031 P2032 N2034	K1225-F2031 CarbonylContact O-C 3.26Å; K1225-F2031 WeakPolarHBondContact O-CA 3.49Å; K1225-P2032 CarbonylContact O-C 3.44Å; K1225-P2032 WeakPolarHBondContact O-CA 2.91Å; K1225-N2034 HydrophobicContact CD-CB 4.42Å; K1225-N2034 WeakPolarHBondContact CE-OD1 3.42Å; K1225-N2034 VanDerWaalsContact CG-N 3.34Å; K1225-N2034 PolarHBondContact NZ-OD1 3.01Å
1226	R	27.4	Very low	25.8	Very low	201 Å²	201	125.4 Å²	125.4	76%	0.758	62%	0.622	S	S	*	*				-1.9	128.7	127.1	149.1	-117.9	-87.6	169.6	-7	115.3	P2032	R1226-P2032 CarbonylContact C-O 3.13Å
1227	K	26.3	Very low	25.8	Very low	43 Å²	43	125.6 Å²	125.6	19%	0.187	61%	0.614	C	S	.	*			trans	172.2	122.1	133.6	-87.5	170.5	-171.9	157.6	0	113.5	F2031 P2032 I2033 N2034	K1227-F2031 CarbonylContact C-O 3.42Å; K1227-F2031 PolarHBondContact N-O 3.03Å; K1227-P2032 WeakPolarHBondContact CB-O 3.29Å; K1227-P2032 WeakPolarHBondContact CD-O 3.2Å; K1227-P2032 WeakPolarHBondContact CG-O 3.33Å; K1227-P2032 WeakPolarHBondContact O-CD 3.34Å; K1227-I2033 HydrophobicContact CD-CB 4.09Å; K1227-I2033 HydrophobicContact CD-CD1 4.37Å; K1227-I2033 HydrophobicContact CD-CG1 4.42Å; K1227-I2033 WeakPolarHBondContact CD-O 3.28Å; K1227-I2033 WeakPolarHBondContact CE-O 3.25Å; K1227-I2033 PolarHBondContact NZ-O 3.3Å; K1227-N2034 PolarHBondContact NZ-O 3.03Å
1228	R	25.2	Very low	25.7	Very low	184 Å²	184	125.9 Å²	125.9	69%	0.694	61%	0.607	S	S	*	*			trans	72.2	156.4	135	-58.6	166.1	-171.4	172.7	-2.6	115.1
1229	K	27.3	Very low	25.9	Very low	169 Å²	169	125.8 Å²	125.8	74%	0.735	60%	0.598	S	S	*	*			cis	-127.5	134.2	13.7	-119.3	125.8	173.7	-163.6	0	108.1
1230	N	26.7	Very low	26.2	Very low	130 Å²	130	129.3 Å²	129.3	70%	0.695	60%	0.602	S	S	*	*				72.5	147.2	99.7	-69.2	28.6	0	0	0	112.5
1231	S	25.8	Very low	26.4	Very low	83 Å²	83	127.2 Å²	127.2	58%	0.58	60%	0.597	S	S	*	*			cis	-154.6	-175.9	12.5	-0.9	0	0	0	0	110.8
1232	H	29	Very low	26.7	Very low	164 Å²	164	127.7 Å²	127.7	76%	0.759	60%	0.603	S	S	*	*			trans	87	133.7	169.2	-49.4	-65.3	0	0	0	114.2
1233	T	26.4	Very low	27	Very low	61 Å²	61	126.4 Å²	126.4	37%	0.374	60%	0.602	S	S	.	*			cis	-151	128.6	-7	5.4	0	0	0	0	114.9
1234	V	27.1	Very low	27.1	Very low	93 Å²	93	127.4 Å²	127.4	56%	0.564	61%	0.607	S	S	*	*				65.8	106.2	129.2	173.1	0	0	0	0	117.9	Q28	Q28-V1234 PolarHBondContact OE1-O 3.33Å
1235	N	26.2	Very low	27.3	Very low	69 Å²	69	128.2 Å²	128.2	37%	0.369	61%	0.613	S	S	.	*				45.6	125.1	122.5	-59.3	-55.4	0	0	0	119.6	S27 Q28	S27-N1235 VanDerWaalsContact CB-CA 3.48Å; Q28-N1235 VanDerWaalsContact CD-C 3.42Å; Q28-N1235 PolarHBondContact OE1-O 3.21Å
1236	H	29.4	Very low	27.3	Very low	106 Å²	106	129 Å²	129	49%	0.491	63%	0.626	S	S	.	*				160	126.2	113.8	-92.6	-60.4	0	0	0	114.9	S27 Q28	S27-H1236 PolarHBondContact OG-N 3.28Å; Q28-H1236 VanDerWaalsContact NE2-N 3.19Å; Q28-H1236 PolarHBondContact NE2-O 2.8Å
1237	L	28	Very low	27.1	Very low	112 Å²	112	125.2 Å²	125.2	59%	0.586	62%	0.621	S	S	*	*			trans	71.7	145.3	142.5	-53.5	169.4	0	0	0	115.9
1238	R	25.5	Very low	27.2	Very low	189 Å²	189	129 Å²	129	71%	0.713	64%	0.643	S	S	*	*			cis	-154.3	144.7	-3.9	-117.2	179.8	171	142.1	2.6	108.7
1239	I	28.4	Very low	27.2	Very low	121 Å²	121	126.8 Å²	126.8	62%	0.621	64%	0.643	S	S	*	*				49.4	120.6	98	-70.4	-174.4	0	0	0	112.2
1240	K	28.6	Very low	27.2	Very low	183 Å²	183	124.8 Å²	124.8	80%	0.796	64%	0.641	S	S	*	*			cis	-139.5	158.2	-2	-76	129.9	174.6	161.8	0	106.4
1241	G	28.2	Very low	27.3	Very low	63 Å²	63	127.7 Å²	127.7	65%	0.649	64%	0.643	S	S	*	*			cis	92.2	144.8	22.3	0	0	0	0	0	111.1
1242	K	30.6	Very low	27.6	Very low	196 Å²	196	130.3 Å²	130.3	85%	0.852	65%	0.648	S	S	*	*			trans	71.2	150.6	-170.6	-62.8	175	179.6	-178.4	0	113
1243	K	28.3	Very low	27.5	Very low	164 Å²	164	127.4 Å²	127.4	71%	0.713	65%	0.645	S	S	*	*			cis	-138.1	154.7	3.2	-126.4	161.7	173.4	-161.4	0	108.4
1244	H	26.7	Very low	27.6	Very low	148 Å²	148	132.7 Å²	132.7	69%	0.685	66%	0.663	S	S	*	*				34.7	138.9	107.6	-61	-123	0	0	0	114.7
1245	I	27.2	Very low	27.8	Very low	145 Å²	145	133.2 Å²	133.2	74%	0.744	67%	0.668	S	S	*	*			cis	-142.8	143.8	32	-125	132	0	0	0	106.2
1246	C	24.6	Very low	28.4	Very low	85 Å²	85	133.1 Å²	133.1	57%	0.574	67%	0.671	S	S	*	*				47.9	144.2	87.8	-62	0	0	0	0	112.7
1247	N	24.4	Very low	28.7	Very low	122 Å²	122	132.6 Å²	132.6	65%	0.652	68%	0.677	S	S	*	*			cis	-159	-152	-7.7	-110.2	11	0	0	0	103.5
1248	D	27	Very low	28.7	Very low	122 Å²	122	131 Å²	131	65%	0.652	67%	0.665	S	S	*	*			trans	74.7	108.9	148	-47	-44.4	0	0	0	114.2
1249	I	26.3	Very low	29.1	Very low	138 Å²	138	126.9 Å²	126.9	71%	0.708	66%	0.657	S	S	*	*				69.1	150.1	62	-56.1	163	0	0	0	109.6
1250	D	27.1	Very low	29.1	Very low	127 Å²	127	125.2 Å²	125.2	68%	0.679	65%	0.65	S	S	*	*			trans	71.7	134.4	-179.5	-62.2	-24.9	0	0	0	116.2
1251	Y	29.2	Very low	29.2	Very low	191 Å²	191	121.6 Å²	121.6	75%	0.749	64%	0.639	S	S	*	*			cis	-170.6	175	-20.2	-132.9	-152.4	0	0	0	107.7
1252	M	31.1	Very low	29.2	Very low	137 Å²	137	123.9 Å²	123.9	68%	0.675	64%	0.636	S	S	*	*			trans	56.7	114	162.9	-57.8	-69.4	94.4	0	0	117.2
1253	C	26	Very low	29	Very low	103 Å²	103	123 Å²	123	70%	0.696	63%	0.628	S	S	*	*				60	121.7	60	-54.5	0	0	0	0	115.9
1254	K	29.1	Very low	29.1	Very low	173 Å²	173	119.8 Å²	119.8	75%	0.752	62%	0.618	S	S	*	*			trans	72.6	162.2	155.6	-66	-175.5	179.4	-171.3	0	117.3
1255	P	30.8	Very low	29.3	Very low	103 Å²	103	121.2 Å²	121.2	67%	0.669	62%	0.619	S	S	*	*			cis	-119.8	158.2	-0.8	37.8	-24.4	0	0	0	115.8
1256	P	40.1	Very low	29.4	Very low	67 Å²	67	120.7 Å²	120.7	44%	0.435	62%	0.617	S	S	.	*			trans	-97.8	145.6	163.9	36.1	-29.6	0	0	0	112.4	K1258 Y2054 S2055	P1256-K1258 HydrophobicContact CG-CD 4.11Å; P1256-Y2054 CarbonylContact O-C 3.55Å; P1256-S2055 PolarHBondContact O-N 2.59Å
1257	P	35.8	Very low	29.6	Very low	96 Å²	96	121.1 Å²	121.1	62%	0.623	62%	0.621	S	S	*	*			trans	-105.8	125.2	159.1	34.1	-25	0	0	0	110.8	T2056	P1257-T2056 VanDerWaalsContact CB-O 3.32Å; P1257-T2056 WeakPolarHBondContact CB-O 3.42Å
1258	K	27	Very low	29.8	Very low	77 Å²	77	121 Å²	121	34%	0.335	62%	0.62	S	S	.	*			cis	59.4	132.7	12.1	-58.3	-174.5	174.9	-74.8	0	114.8	P1256 L2053 S2055 T2056	P1256-K1258 HydrophobicContact CG-CD 4.11Å; K1258-L2053 HydrophobicContact CB-CD2 4.4Å; K1258-L2053 HydrophobicContact CD-CB 4.44Å; K1258-L2053 HydrophobicContact CD-CD2 4.01Å; K1258-L2053 HydrophobicContact CD-CG 4.07Å; K1258-S2055 VanDerWaalsContact CB-OG 3.3Å; K1258-S2055 WeakPolarHBondContact CB-OG 3.19Å; K1258-S2055 WeakPolarHBondContact O-CB 3.11Å; K1258-T2056 WeakPolarHBondContact O-CG2 3.5Å
1259	L	34.9	Very low	29.9	Very low	104 Å²	104	122.1 Å²	122.1	55%	0.545	62%	0.621	S	S	.	*			cis	-151	-134.9	-18	-137.4	162.4	0	0	0	104	L2053	L1259-L2053 HydrophobicContact CB-CD2 4.2Å; L1259-L2053 HydrophobicContact CD1-CD1 4.23Å; L1259-L2053 HydrophobicContact CD1-CD2 3.76Å; L1259-L2053 HydrophobicContact CD1-CG 4.1Å
1260	D	28.5	Very low	30.1	Very low	86 Å²	86	121.7 Å²	121.7	46%	0.46	62%	0.62	S	S	.	*			trans	74.2	129.7	158	-36.8	-29.8	0	0	0	113.3
1261	D	30	Very low	30.2	Very low	107 Å²	107	120.3 Å²	120.3	57%	0.572	61%	0.613	S	S	*	*			cis	-149	146.1	5.6	-130.1	26.2	0	0	0	109.5	R1263	D1261-R1263 IonicContact OD2-NH2 2.77Å; D1261-R1263 PolarHBondContact OD2-NH2 2.81Å
1262	N	27.5	Very low	30.2	Very low	111 Å²	111	118.2 Å²	118.2	59%	0.594	61%	0.61	S	S	*	*				49.8	135.1	105.3	-73	-33.4	0	0	0	113.9
1263	R	28.4	Very low	30.1	Very low	178 Å²	178	116.4 Å²	116.4	67%	0.672	61%	0.61	S	S	*	*			cis	-171.2	-176.5	22.4	-122.8	172.7	-99.9	141.5	7.8	105.8	D1261	D1261-R1263 IonicContact OD2-NH2 2.77Å; D1261-R1263 PolarHBondContact OD2-NH2 2.81Å
1264	D	30.1	Very low	30.2	Very low	95 Å²	95	119.9 Å²	119.9	51%	0.508	61%	0.613	S	S	.	*			cis	-167.1	169.6	15.8	-127.2	-28.2	0	0	0	108.2
1265	Y	30	Very low	30	Very low	178 Å²	178	115.9 Å²	115.9	70%	0.698	61%	0.607	S	S	*	*			trans	52.1	111.7	157.8	-59.1	-54.5	0	0	0	119.1
1266	D	30	Very low	29.9	Very low	134 Å²	134	117.6 Å²	117.6	72%	0.717	61%	0.609	S	S	*	*				89.6	147	92.5	-73.1	0.2	0	0	0	111.6
1267	C	29.2	Very low	29.2	Very low	95 Å²	95	122.4 Å²	122.4	64%	0.642	63%	0.626	S	S	*	*			cis	-133	151.3	7.7	-113.9	0	0	0	0	108
1268	N	27.2	Very low	29	Very low	119 Å²	119	122.5 Å²	122.5	64%	0.636	63%	0.626	S	S	*	*				54.6	142.2	86.7	-62.8	16.2	0	0	0	113.6
1269	E	29.3	Very low	28.8	Very low	146 Å²	146	127.2 Å²	127.2	68%	0.682	65%	0.647	S	S	*	*			cis	-161	150.8	20.3	-133.4	146.5	-122.5	0	0	109.8
1270	D	31	Very low	28.4	Very low	128 Å²	128	129.1 Å²	129.1	68%	0.684	66%	0.656	S	S	*	*			trans	59.5	153.7	135.5	-74.4	15.8	0	0	0	122.2
1271	N	29.1	Very low	28.2	Very low	99 Å²	99	131.4 Å²	131.4	53%	0.529	67%	0.668	S	S	.	*			cis	-160.2	163.8	-2.8	-130.9	-38.6	0	0	0	112.8
1272	Q	29.5	Very low	28	Very low	146 Å²	146	130.9 Å²	130.9	68%	0.682	67%	0.669	S	S	*	*			trans	63.4	147.7	151.3	-69.8	155.7	50.4	0	0	118.3
1273	C	29	Very low	27.9	Very low	100 Å²	100	131.6 Å²	131.6	68%	0.676	67%	0.673	S	S	*	*			cis	-136.7	131.1	-4.9	-105.7	0	0	0	0	107.8
1274	F	27.6	Very low	27.8	Very low	176 Å²	176	129.4 Å²	129.4	77%	0.772	68%	0.675	S	S	*	*				65.3	138.9	82	-76.1	-66.6	0	0	0	113.5
1275	S	25.3	Very low	27.6	Very low	88 Å²	88	129.1 Å²	129.1	62%	0.615	68%	0.68	S	S	*	*			cis	-166.3	162.8	20.3	-143.1	0	0	0	0	115.5
1276	I	28.4	Very low	27.4	Very low	139 Å²	139	128.5 Å²	128.5	71%	0.713	68%	0.683	S	S	*	*			trans	58.7	128.4	162.4	-5.7	-172.4	0	0	0	116.7
1277	Q	26.5	Very low	27.1	Very low	168 Å²	168	126.3 Å²	126.3	79%	0.785	68%	0.678	S	S	*	*			cis	64.8	169.1	36	-55.4	-125.8	-0.5	0	0	113.2
1278	P	30.8	Very low	26.9	Very low	98 Å²	98	125.5 Å²	125.5	64%	0.636	67%	0.673	S	S	*	*			cis	-103.5	178.4	-13.3	0.7	25.8	0	0	0	112.1
1279	K	23.7	Very low	26.9	Very low	177 Å²	177	125.3 Å²	125.3	77%	0.77	67%	0.672	S	S	*	*				67.6	140.4	53.3	-144.1	-170.9	-172.7	177.3	0	112.4
1280	I	24.7	Very low	26.7	Very low	143 Å²	143	122.8 Å²	122.8	73%	0.733	67%	0.666	S	S	*	*			trans	76.7	138.8	172.7	-52.1	155.5	0	0	0	111.1
1281	D	25.2	Very low	26.3	Very low	134 Å²	134	121 Å²	121	72%	0.717	66%	0.657	S	S	*	*			cis	-144.1	-176.5	8.7	-136.4	-19.2	0	0	0	115.8
1282	T	25.2	Very low	26.1	Very low	97 Å²	97	124.2 Å²	124.2	60%	0.595	67%	0.666	S	S	*	*			trans	-9.7	149.3	156.6	55.9	0	0	0	0	121.5
1283	N	25.8	Very low	25.8	Very low	125 Å²	125	121.4 Å²	121.4	67%	0.668	66%	0.663	S	S	*	*			trans	75.8	154	135.4	-81.5	38.1	0	0	0	120.5
1284	D	25.8	Very low	25.6	Very low	133 Å²	133	122 Å²	122	71%	0.711	66%	0.663	S	S	*	*			trans	39.7	126.3	138.8	-55	-30.4	0	0	0	119.7
1285	S	25.9	Very low	25.6	Very low	88 Å²	88	120.2 Å²	120.2	62%	0.615	66%	0.661	S	S	*	*			cis	-179.8	-153.2	3.6	45.4	0	0	0	0	108.9
1286	H	25.7	Very low	25.7	Very low	165 Å²	165	122.9 Å²	122.9	76%	0.764	66%	0.664	S	S	*	*				7.7	128.4	120.9	-65.4	-62.1	0	0	0	116
1287	C	24.8	Very low	25.4	Very low	89 Å²	89	121 Å²	121	60%	0.601	66%	0.658	S	S	*	*			cis	-143.6	168.5	10.9	-92.6	0	0	0	0	108.5
1288	S	24.4	Very low	25.4	Very low	78 Å²	78	117.2 Å²	117.2	55%	0.545	65%	0.651	S	S	.	*			cis	58.5	147.4	46.9	114.6	0	0	0	0	110
1289	D	27.4	Very low	25	Very low	115 Å²	115	120.3 Å²	120.3	62%	0.615	66%	0.657	S	S	*	*			cis	-116.8	134.5	29.4	-80.7	-36	0	0	0	112.1	N1291	D1289-N1291 HydrophobicContact CB-CB 4.45Å
1290	T	24.2	Very low	25.1	Very low	92 Å²	92	118.1 Å²	118.1	56%	0.564	65%	0.652	S	S	*	*				64.1	-168.1	56.9	83.8	0	0	0	0	111.3
1291	N	23.6	Very low	25.1	Very low	91 Å²	91	117.9 Å²	117.9	49%	0.487	65%	0.652	S	S	.	*			trans	52.5	117.7	156.9	-65.6	-28.6	0	0	0	117.1	D1289	D1289-N1291 HydrophobicContact CB-CB 4.45Å
1292	K	25.1	Very low	25.1	Very low	166 Å²	166	116.2 Å²	116.2	72%	0.722	65%	0.65	S	S	*	*			cis	-176.5	171.3	16.4	-116.6	156.9	-165.4	138	0	104.2
1293	S	23.7	Very low	24.9	Very low	87 Å²	87	116.4 Å²	116.4	61%	0.608	65%	0.651	S	S	*	*			cis	-148.6	176.4	8	23.3	0	0	0	0	107.7
1294	V	23.8	Very low	24.8	Very low	114 Å²	114	114.5 Å²	114.5	69%	0.691	65%	0.648	S	S	*	*				24.2	116.6	87.3	-132.4	0	0	0	0	110.9
1295	L	27.9	Very low	24.6	Very low	137 Å²	137	114.8 Å²	114.8	72%	0.717	65%	0.65	S	S	*	*				-175.9	146.9	84.3	-70.2	169	0	0	0	103.4
1296	Q	26	Very low	24.4	Very low	145 Å²	145	116.9 Å²	116.9	68%	0.678	65%	0.653	S	S	*	*			cis	-161.3	170.6	3.5	-126.9	175.5	-73.3	0	0	111.1
1297	T	23.2	Very low	24.4	Very low	98 Å²	98	115.3 Å²	115.3	60%	0.601	65%	0.649	S	S	*	*			trans	-17.5	135.4	134.5	62	0	0	0	0	113.2
1298	S	25.8	Very low	24.2	Very low	89 Å²	89	115.6 Å²	115.6	62%	0.622	65%	0.645	S	S	*	*				-151.8	147.5	62.6	-8.1	0	0	0	0	108.7
1299	E	23.7	Very low	24.2	Very low	164 Å²	164	115.2 Å²	115.2	77%	0.766	64%	0.642	S	S	*	*				56	165.6	75.8	-50.1	-177.1	124.4	0	0	114
1300	I	25	Very low	24.2	Very low	131 Å²	131	117.4 Å²	117.4	67%	0.672	64%	0.642	S	S	*	*			trans	70	98.9	167	-61.9	158.2	0	0	0	110.8
1301	L	24.9	Very low	24.3	Very low	138 Å²	138	118.6 Å²	118.6	72%	0.723	64%	0.644	S	S	*	*				52.1	106.7	99	-62.5	155	0	0	0	110.5	T1303	L1301-T1303 HydrophobicContact CD2-CG2 4.29Å
1302	S	24.4	Very low	24.4	Very low	98 Å²	98	118.5 Å²	118.5	69%	0.685	65%	0.647	S	S	*	*			cis	-142.6	145.6	49	-69.5	0	0	0	0	109.7
1303	T	22.6	Very low	24.4	Very low	101 Å²	101	119.4 Å²	119.4	62%	0.62	65%	0.651	S	S	*	*				46.7	161.4	65	89.4	0	0	0	0	113.6	L1301	L1301-T1303 HydrophobicContact CD2-CG2 4.29Å
1304	S	22.8	Very low	24.6	Very low	85 Å²	85	118.6 Å²	118.6	59%	0.594	66%	0.656	S	S	*	*			trans	69.9	82	164.9	-53.1	0	0	0	0	113.6
1305	N	21.8	Very low	24.9	Very low	140 Å²	140	120.9 Å²	120.9	75%	0.749	66%	0.659	S	S	*	*				96.3	-177.6	78.6	-83.4	-16.7	0	0	0	108.1
1306	L	22.1	Very low	24.9	Very low	131 Å²	131	120.8 Å²	120.8	69%	0.686	66%	0.658	S	S	*	*			trans	64.9	96.3	157.2	-68.1	150	0	0	0	111.2	D1308	L1306-D1308 VanDerWaalsContact C-N 3.29Å
1307	I	24.6	Very low	24.9	Very low	132 Å²	132	118.8 Å²	118.8	68%	0.677	66%	0.66	S	S	*	*				37	70	55.3	-23	154.4	0	0	0	107.9
1308	D	21.2	Very low	25.3	Very low	96 Å²	96	118.5 Å²	118.5	51%	0.513	66%	0.655	S	S	.	*				-174.3	153.1	115.5	-90.6	-31.9	0	0	0	113.4	L1306 R1310	L1306-D1308 VanDerWaalsContact C-N 3.29Å; D1308-R1310 VanDerWaalsContact CG-CZ 3.45Å; D1308-R1310 IonicContact OD1-CZ 3.68Å; D1308-R1310 IonicContact OD1-NE 3.44Å; D1308-R1310 PolarHBondContact OD1-NE 3.37Å; D1308-R1310 IonicContact OD1-NH1 2.74Å; D1308-R1310 PolarHBondContact OD1-NH1 2.73Å; D1308-R1310 IonicContact OD1-NH2 2.73Å; D1308-R1310 PolarHBondContact OD1-NH2 2.96Å; D1308-R1310 IonicContact OD2-CZ 2.71Å; D1308-R1310 VanDerWaalsContact OD2-CZ 3.27Å; D1308-R1310 IonicContact OD2-NH1 2.8Å; D1308-R1310 PolarHBondContact OD2-NH1 3.18Å; D1308-R1310 IonicContact OD2-NH2 2.66Å; D1308-R1310 PolarHBondContact OD2-NH2 2.87Å
1309	S	23.5	Very low	25.5	Very low	70 Å²	70	120.8 Å²	120.8	49%	0.49	67%	0.665	S	S	.	*			cis	-128.8	162.7	-6	-114.5	0	0	0	0	108.9
1310	R	27.8	Very low	25.6	Very low	161 Å²	161	117.5 Å²	117.5	61%	0.608	65%	0.652	S	S	*	*				42.1	171.8	71.9	-34.8	-176.3	-164.8	96.9	13.8	113.3	D1308	D1308-R1310 VanDerWaalsContact CG-CZ 3.45Å; D1308-R1310 IonicContact OD1-CZ 3.68Å; D1308-R1310 IonicContact OD1-NE 3.44Å; D1308-R1310 PolarHBondContact OD1-NE 3.37Å; D1308-R1310 IonicContact OD1-NH1 2.74Å; D1308-R1310 PolarHBondContact OD1-NH1 2.73Å; D1308-R1310 IonicContact OD1-NH2 2.73Å; D1308-R1310 PolarHBondContact OD1-NH2 2.96Å; D1308-R1310 IonicContact OD2-CZ 2.71Å; D1308-R1310 VanDerWaalsContact OD2-CZ 3.27Å; D1308-R1310 IonicContact OD2-NH1 2.8Å; D1308-R1310 PolarHBondContact OD2-NH1 3.18Å; D1308-R1310 IonicContact OD2-NH2 2.66Å; D1308-R1310 PolarHBondContact OD2-NH2 2.87Å
1311	D	25.8	Very low	25.7	Very low	117 Å²	117	120.7 Å²	120.7	63%	0.626	66%	0.657	S	S	*	*			trans	43.6	113.8	143.4	-55.8	-29.9	0	0	0	118.1
1312	T	25.8	Very low	25.7	Very low	89 Å²	89	116.8 Å²	116.8	55%	0.546	64%	0.641	S	S	.	*			cis	179.2	-171	19.4	13.1	0	0	0	0	107.2	G1314	T1312-G1314 PolarHBondContact O-N 3.08Å
1313	K	26.2	Very low	25.8	Very low	184 Å²	184	118.1 Å²	118.1	80%	0.8	64%	0.641	S	S	*	*			trans	28.7	70.2	135.6	-52.1	149.7	-161	150.8	0	113.5
1314	G	27.7	Very low	26.2	Very low	70 Å²	70	119 Å²	119	72%	0.722	65%	0.646	S	S	*	*				96.1	-136	54.6	0	0	0	0	0	107.1	T1312	T1312-G1314 PolarHBondContact O-N 3.08Å
1315	H	29.2	Very low	26.6	Very low	162 Å²	162	119.2 Å²	119.2	75%	0.75	64%	0.644	S	S	*	*			trans	11.9	127.4	143.1	-82.4	-73.4	0	0	0	120
1316	I	28.2	Very low	27	Very low	135 Å²	135	118 Å²	118	69%	0.692	64%	0.638	S	S	*	*			trans	70.4	113.1	148.3	-53.6	160.2	0	0	0	112.4
1317	S	27.6	Very low	27.6	Very low	103 Å²	103	114.2 Å²	114.2	72%	0.72	62%	0.622	S	S	*	*			cis	-137.9	126.8	49.3	57.5	0	0	0	0	112.5
1318	N	30.2	Very low	28	Very low	93 Å²	93	112.2 Å²	112.2	50%	0.497	62%	0.619	S	S	.	*				75.7	156.3	83.4	-53.2	-13.2	0	0	0	112.5	L1320	N1318-L1320 HydrophobicContact CB-CD1 4.19Å; N1318-L1320 HydrophobicContact CB-CG 3.83Å; N1318-L1320 VanDerWaalsContact OD1-CD1 3.3Å; N1318-L1320 WeakPolarHBondContact OD1-CD1 3.49Å; N1318-L1320 VanDerWaalsContact OD1-CG 3.25Å; N1318-L1320 WeakPolarHBondContact OD1-CG 3.22Å
1319	V	30	Very low	28.6	Very low	136 Å²	136	114.9 Å²	114.9	82%	0.824	63%	0.632	S	S	*	*			cis	-93.3	119.9	-4.4	166.9	0	0	0	0	107.1
1320	L	25.6	Very low	29.1	Very low	96 Å²	96	114.3 Å²	114.3	50%	0.503	63%	0.628	S	S	.	*				53.9	-159.7	68.4	-56.8	-166.2	0	0	0	110.1	N1318	N1318-L1320 HydrophobicContact CB-CD1 4.19Å; N1318-L1320 HydrophobicContact CB-CG 3.83Å; N1318-L1320 VanDerWaalsContact OD1-CD1 3.3Å; N1318-L1320 WeakPolarHBondContact OD1-CD1 3.49Å; N1318-L1320 VanDerWaalsContact OD1-CG 3.25Å; N1318-L1320 WeakPolarHBondContact OD1-CG 3.22Å
1321	Y	28.4	Very low	29.1	Very low	197 Å²	197	110.9 Å²	110.9	77%	0.773	63%	0.629	S	S	*	*				-93.3	139.3	-85.6	-97.1	-178.4	0	0	0	107.3
1322	S	24.9	Very low	29	Very low	56 Å²	56	110.3 Å²	110.3	39%	0.392	63%	0.63	S	S	.	*			cis	-173.8	-137.6	-12.7	-128.2	0	0	0	0	107.5
1323	N	25.8	Very low	29	Very low	127 Å²	127	112.1 Å²	112.1	68%	0.679	64%	0.636	S	S	*	*				2.7	129.6	85	-13	-47.6	0	0	0	112.8
1324	T	31.1	Very low	29.1	Very low	120 Å²	120	112.1 Å²	112.1	74%	0.736	64%	0.636	S	S	*	*				-152.5	146.8	52.3	43.8	0	0	0	0	109.3
1325	T	30.5	Very low	29.4	Very low	88 Å²	88	114.8 Å²	114.8	54%	0.54	63%	0.633	S	S	.	*			cis	-151.9	-173.1	8.1	-5.1	0	0	0	0	110.1	T392	T392-T1325 PolarHBondContact OG1-O 3.18Å
1326	N	31.4	Very low	30	Very low	116 Å²	116	113.3 Å²	113.3	62%	0.62	63%	0.631	S	S	*	*			trans	14.7	144.3	136.4	-44.3	-16.4	0	0	0	118.7	T392	T392-N1326 PolarHBondContact OG1-O 2.89Å
1327	S	34.2	Very low	30.6	Very low	50 Å²	50	113.1 Å²	113.1	35%	0.35	63%	0.627	S	S	.	*			cis	-155.6	132.5	26.3	-19.9	0	0	0	0	116.1	E390 D391	E390-S1327 CarbonylContact C-O 3.37Å; E390-S1327 CarbonylContact O-C 3.37Å; E390-S1327 VanDerWaalsContact O-C 3.25Å; E390-S1327 WeakPolarHBondContact O-CA 3.34Å; E390-S1327 WeakPolarHBondContact O-CB 3.34Å; E390-S1327 PolarHBondContact O-N 2.72Å; E390-S1327 PolarHBondContact O-OG 2.97Å; D391-S1327 PolarHBondContact O-N 2.77Å
1328	S	34.2	Very low	30.9	Very low	90 Å²	90	113.1 Å²	113.1	63%	0.629	62%	0.619	S	S	*	*	S	Bend	trans	78.6	151.8	148.9	89.4	0	0	0	0	118.6	S389	S389-S1328 PolarHBondContact O-OG 3.13Å
1329	I	32.8	Very low	31.5	Very low	152 Å²	152	116.7 Å²	116.7	78%	0.779	63%	0.629	S	S	*	*	S	Bend	cis	-92.3	121.2	-15.2	-82.1	-177.5	0	0	0	109
1330	S	34.8	Very low	31.8	Very low	58 Å²	58	118.5 Å²	118.5	41%	0.406	63%	0.626	S	S	.	*			trans	44.9	102.7	160.3	68.6	0	0	0	0	115.6	K1203	K1203-S1330 PolarHBondContact NZ-OG 2.89Å
1331	S	26.5	Very low	32.5	Very low	90 Å²	90	119.2 Å²	119.2	63%	0.629	63%	0.631	S	S	*	*				64	123.8	85.4	84.8	0	0	0	0	111
1332	T	23.8	Very low	33	Very low	104 Å²	104	119.3 Å²	119.3	64%	0.638	63%	0.631	S	S	*	*	S	Bend		31.9	109.4	92.6	73.5	0	0	0	0	111
1333	N	26.3	Very low	33.5	Very low	127 Å²	127	121.3 Å²	121.3	68%	0.679	64%	0.641	S	S	*	*	S	Bend		46	109.6	77.7	-58.2	2.5	0	0	0	109.5
1334	K	28.1	Very low	33.7	Very low	185 Å²	185	121.8 Å²	121.8	80%	0.804	64%	0.641	S	S	*	*			trans	71.4	148.5	-167	-53.7	175.5	-178	179.2	0	113.7
1335	L	34.6	Very low	33.7	Very low	126 Å²	126	123.4 Å²	123.4	66%	0.66	64%	0.637	S	S	*	*	S	Bend	cis	-95.4	154.7	-9.7	-127.9	60.1	0	0	0	107.3	E1337	L1335-E1337 HydrophobicContact CG-CG 4.31Å
1336	D	41.1	Very low	33.8	Very low	130 Å²	130	125.2 Å²	125.2	70%	0.695	64%	0.643	S	S	*	*	S	Bend	cis	-144.6	150.6	22.4	-73	-84.9	0	0	0	108.5
1337	E	41.2	Very low	33.8	Very low	132 Å²	132	123.1 Å²	123.1	62%	0.617	64%	0.638	S	S	*	*			cis	-160.1	-162.9	-8.5	-130.3	-160.3	154.7	0	0	111.3	L1335	L1335-E1337 HydrophobicContact CG-CG 4.31Å
1338	L	34.5	Very low	33.8	Very low	103 Å²	103	123.7 Å²	123.7	54%	0.539	65%	0.646	S	S	.	*			trans	-4.7	142.3	133.7	-52.7	-179.9	0	0	0	116
1339	K	42.6	Very low	34.1	Very low	167 Å²	167	124.5 Å²	124.5	73%	0.726	65%	0.648	S	S	*	*			cis	-166	154.1	14.6	-115.9	152	-164.6	152.8	0	108
1340	K	36.5	Very low	34.5	Very low	175 Å²	175	121 Å²	121	76%	0.761	63%	0.631	S	S	*	*			trans	65.3	152.1	165.1	-68.2	-179.5	135.3	-104.4	0	114.6
1341	D	39.2	Very low	34.4	Very low	110 Å²	110	121.5 Å²	121.5	59%	0.588	63%	0.629	S	S	*	*			cis	-126.8	141.6	-16.3	-98.1	-36.6	0	0	0	106.6
1342	Y	39	Very low	34.9	Very low	200 Å²	200	122 Å²	122	78%	0.784	62%	0.624	S	S	*	*				65.4	150.2	92.6	-138.6	-106.4	0	0	0	113.5
1343	T	34.9	Very low	35.7	Very low	97 Å²	97	121.7 Å²	121.7	60%	0.595	62%	0.618	S	S	*	*	S	Bend	trans	-55.7	170.9	159.8	58.1	0	0	0	0	110.1
1344	M	31	Very low	36.5	Very low	138 Å²	138	116.9 Å²	116.9	68%	0.68	59%	0.592	S	S	*	*			trans	98.2	127.3	161.2	-48.2	-133.3	170.5	0	0	113.6
1345	K	31.5	Very low	37.1	Very low	153 Å²	153	112.1 Å²	112.1	67%	0.665	58%	0.575	S	S	*	*			cis	-154.3	-161.9	7.3	-135.4	173.3	-179.7	154.1	0	113.6
1346	L	31.5	Very low	36.6	Very low	126 Å²	126	111.7 Å²	111.7	66%	0.66	57%	0.574	S	S	*	*				13.7	137.1	93.4	-72.7	143.7	0	0	0	115.1
1347	S	31.1	Very low	36.3	Very low	73 Å²	73	108.8 Å²	108.8	51%	0.51	56%	0.563	S	S	.	*			cis	-94.5	-83.2	9.1	-44.9	0	0	0	0	110.5
1348	A	35.9	Very low	36.1	Very low	62 Å²	62	104.7 Å²	104.7	51%	0.512	55%	0.546	S	S	.	.			cis	61.7	-150.1	-20.9	0	0	0	0	0	112.8	I1350	A1348-I1350 HydrophobicContact CB-CB 3.58Å; A1348-I1350 HydrophobicContact CB-CD1 3.59Å; A1348-I1350 HydrophobicContact CB-CG1 3.44Å; A1348-I1350 VanDerWaalsContact CB-CG1 3.44Å; A1348-I1350 VanDerWaalsContact CB-N 3.26Å
1349	P	40.2	Very low	35.6	Very low	106 Å²	106	101.9 Å²	101.9	69%	0.688	53%	0.533	S	S	*	.			cis	-55.4	142.6	-6.2	-23.7	36.1	0	0	0	110.4
1350	I	40.9	Very low	34.9	Very low	79 Å²	79	97 Å²	97	41%	0.405	52%	0.517	S	S	.	.			cis	58	66.5	32.7	-73.7	164.3	0	0	0	108	A1348 M1907	A1348-I1350 HydrophobicContact CB-CB 3.58Å; A1348-I1350 HydrophobicContact CB-CD1 3.59Å; A1348-I1350 HydrophobicContact CB-CG1 3.44Å; A1348-I1350 VanDerWaalsContact CB-CG1 3.44Å; A1348-I1350 VanDerWaalsContact CB-N 3.26Å; I1350-M1907 HydrophobicContact CD1-CE 4.11Å; I1350-M1907 HydrophobicContact CD1-SD 4.05Å; I1350-M1907 HydrophobicContact CG1-CE 3.88Å; I1350-M1907 HydrophobicContact CG1-SD 4.32Å; I1350-M1907 HydrophobicContact CG2-CE 3.84Å; I1350-M1907 HydrophobicContact CG2-CG 3.74Å; I1350-M1907 HydrophobicContact CG2-SD 3.73Å
1351	D	32.4	Very low	34.5	Very low	68 Å²	68	92 Å²	92	36%	0.364	50%	0.499	S	S	.	.			cis	-140.8	178.9	18.2	-86.4	-53	0	0	0	110.1	M1907	D1351-M1907 WeakPolarHBondContact OD2-CE 3.32Å
1352	I	37.4	Very low	33.9	Very low	102 Å²	102	93.7 Å²	93.7	52%	0.523	51%	0.508	S	S	.	.				28.5	141.3	85.6	-15.5	157.5	0	0	0	113	V41	V41-I1352 HydrophobicContact CB-CG2 3.91Å; V41-I1352 HydrophobicContact CG1-CG2 4.34Å; V41-I1352 HydrophobicContact CG2-CB 4.11Å; V41-I1352 HydrophobicContact CG2-CD1 3.69Å; V41-I1352 HydrophobicContact CG2-CG1 4.46Å; V41-I1352 HydrophobicContact CG2-CG2 3.57Å
1353	N	39.5	Very low	33.4	Very low	96 Å²	96	87 Å²	87	51%	0.513	49%	0.486	S	S	.	.				-163.8	157.8	123.2	-93.6	-22.9	0	0	0	113.5	V41 T43	V41-N1353 WeakPolarHBondContact CG1-OD1 3.43Å; T43-N1353 PolarHBondContact OG1-O 3.42Å
1354	N	44.6	Very low	33.1	Very low	27 Å²	27	88.1 Å²	88.1	14%	0.144	49%	0.488	C	S	.	.			trans	-76.3	173.6	-176.9	-148.2	90.9	0	0	0	112	N40 V41 T42 T43	N40-N1354 HydrophobicContact CB-CB 3.87Å; V41-N1354 VanDerWaalsContact CA-OD1 3.23Å; V41-N1354 WeakPolarHBondContact CA-OD1 3.27Å; V41-N1354 HydrophobicContact CB-CB 4.07Å; V41-N1354 HydrophobicContact CG1-CB 3.9Å; T42-N1354 VanDerWaalsContact C-OD1 3.3Å; T42-N1354 WeakPolarHBondContact CA-OD1 3.47Å; T42-N1354 WeakPolarHBondContact CB-OD1 3.39Å; T42-N1354 VanDerWaalsContact CG2-OD1 3.31Å; T42-N1354 WeakPolarHBondContact CG2-OD1 3.35Å; T42-N1354 WeakPolarHBondContact O-CA 3.18Å; T42-N1354 PolarHBondContact O-N 2.86Å; T42-N1354 PolarHBondContact O-OD1 2.62Å; T42-N1354 VanDerWaalsContact O-OD1 3.06Å; T42-N1354 PolarHBondContact OG1-OD1 2.82Å; T43-N1354 VanDerWaalsContact OG1-CA 3.29Å; T43-N1354 WeakPolarHBondContact OG1-CA 3.39Å
1355	N	39.6	Very low	33.1	Very low	84 Å²	84	86 Å²	86	45%	0.449	48%	0.48	S	S	.	.			trans	67.6	150.9	171.7	-6	-79.4	0	0	0	113.3	N40	N40-N1355 PolarHBondContact ND2-OD1 2.82Å
1356	N	24.9	Very low	32.8	Very low	118 Å²	118	87.6 Å²	87.6	63%	0.631	48%	0.481	S	S	*	.				38.9	115.5	90.6	-46.4	39.2	0	0	0	110.6	S1180	S1180-N1356 PolarHBondContact OG-ND2 2.82Å
1357	S	34.9	Very low	32.9	Very low	68 Å²	68	88.9 Å²	88.9	48%	0.476	48%	0.484	S	S	.	.			cis	-152.7	177.2	47.9	49.6	0	0	0	0	114.2	S1180	S1180-S1357 WeakPolarHBondContact O-CA 3.24Å; S1180-S1357 WeakPolarHBondContact O-CB 3.37Å
1358	D	37	Very low	33	Very low	47 Å²	47	88 Å²	88	25%	0.251	48%	0.478	S	S	.	.			trans	81.7	125.3	155.6	-49.4	-36.8	0	0	0	115.9	E1176 G1182	E1176-D1358 CarbonylContact O-C 3.55Å; G1182-D1358 WeakPolarHBondContact CA-OD1 3.01Å; G1182-D1358 PolarHBondContact N-OD1 2.77Å; G1182-D1358 VanDerWaalsContact O-CG 3.3Å
1359	T	24	Very low	32.8	Very low	44 Å²	44	88 Å²	88	27%	0.27	47%	0.473	S	S	.	.				52.7	142.3	73.6	36.6	0	0	0	0	115.8	E1176 D1177 S1178	E1176-T1359 PolarHBondContact O-N 3.05Å; D1177-T1359 VanDerWaalsContact OD1-CA 3.28Å; D1177-T1359 WeakPolarHBondContact OD1-CA 3.44Å; D1177-T1359 WeakPolarHBondContact OD1-CG2 3.37Å; D1177-T1359 PolarHBondContact OD1-N 2.97Å; S1178-T1359 WeakPolarHBondContact OG-CG2 3.46Å
1360	T	26.8	Very low	32.3	Very low	63 Å²	63	85 Å²	85	39%	0.387	46%	0.461	S	S	.	.			trans	75.5	108.9	147.7	40.4	0	0	0	0	118.7
1361	N	28	Very low	31.8	Very low	72 Å²	72	88.5 Å²	88.5	39%	0.385	48%	0.476	S	S	.	.				48.3	108.7	114.2	-63.3	2.3	0	0	0	116.4	Y1185 E1186 N1363	Y1185-N1361 VanDerWaalsContact C-ND2 3.3Å; Y1185-N1361 PolarHBondContact O-ND2 3.26Å; E1186-N1361 PolarHBondContact N-ND2 2.87Å; N1361-N1363 WeakPolarHBondContact CB-ND2 3.3Å; N1361-N1363 PolarHBondContact ND2-ND2 3.34Å
1362	N	26.8	Very low	32.1	Very low	144 Å²	144	92.2 Å²	92.2	77%	0.77	49%	0.494	S	S	*	.				-138.1	113.1	89	-101	-91.9	0	0	0	107.4
1363	N	27.9	Very low	32.1	Very low	60 Å²	60	90.1 Å²	90.1	32%	0.321	50%	0.498	S	S	.	.				41.6	105.6	77.8	-63.3	-32.9	0	0	0	111.1	E1186 N1361	E1186-N1363 VanDerWaalsContact C-ND2 3.32Å; E1186-N1363 PolarHBondContact O-ND2 3.49Å; N1361-N1363 WeakPolarHBondContact CB-ND2 3.3Å; N1361-N1363 PolarHBondContact ND2-ND2 3.34Å
1364	N	28.8	Very low	32	Very low	121 Å²	121	92.2 Å²	92.2	65%	0.647	51%	0.509	S	S	*	.				169.6	157.4	102.5	-90	-70.9	0	0	0	111.4
1365	D	30.9	Very low	31.7	Very low	93 Å²	93	97.3 Å²	97.3	50%	0.497	53%	0.532	S	S	.	.			trans	65.1	97.4	151.1	-73.9	8.2	0	0	0	118.6
1366	R	26.3	Very low	31.4	Very low	187 Å²	187	99.1 Å²	99.1	71%	0.706	54%	0.538	S	S	*	.				90	149.2	91.4	-81.6	162.7	-163.2	153.2	6.3	111.8
1367	Q	33.8	Very low	31.7	Very low	152 Å²	152	102.6 Å²	102.6	71%	0.71	54%	0.542	S	S	*	.			cis	-139.8	158.6	7.1	-104.2	132.3	22.7	0	0	107.2
1368	S	32.5	Very low	31.7	Very low	54 Å²	54	105.2 Å²	105.2	38%	0.378	55%	0.551	S	S	.	*				55.7	145.5	67.3	-32.1	0	0	0	0	112.7	P1191 S1192	P1191-S1368 WeakPolarHBondContact O-CB 3.48Å; P1191-S1368 PolarHBondContact O-OG 3.04Å; S1192-S1368 WeakPolarHBondContact O-CA 3.05Å; S1192-S1368 PolarHBondContact O-N 3.22Å
1369	P	32.4	Very low	31.8	Very low	63 Å²	63	109 Å²	109	41%	0.409	57%	0.571	S	S	.	*			cis	-111.9	124.4	22.4	38.5	-33.2	0	0	0	117.8	C1193 S1194 E1371	C1193-P1369 CarbonylContact C-O 3.58Å; C1193-P1369 VanDerWaalsContact N-C 3.3Å; C1193-P1369 CarbonylContact O-C 3.51Å; C1193-P1369 WeakPolarHBondContact O-CD 3.45Å; C1193-P1369 VanDerWaalsContact O-N 3.12Å; S1194-P1369 PolarHBondContact OG-O 2.93Å; P1369-E1371 HydrophobicContact CB-CG 4.24Å; P1369-E1371 PolarHBondContact O-N 2.65Å
1370	G	28.2	Very low	32.1	Very low	44 Å²	44	113.9 Å²	113.9	45%	0.454	60%	0.595	S	S	.	*			trans	-70.5	75.5	146.9	0	0	0	0	0	110.3	S1192 C1193	S1192-G1370 VanDerWaalsContact CB-CA 3.41Å; S1192-G1370 VanDerWaalsContact CB-N 3.31Å; S1192-G1370 WeakPolarHBondContact OG-CA 3.44Å; S1192-G1370 PolarHBondContact OG-N 2.75Å; C1193-G1370 VanDerWaalsContact N-N 3.19Å
1371	E	30.6	Very low	32.7	Very low	151 Å²	151	115.9 Å²	115.9	71%	0.706	61%	0.609	S	S	*	*			trans	-80.5	131.3	151.7	-78.8	-166	163.4	0	0	108.2	P1369	P1369-E1371 HydrophobicContact CB-CG 4.24Å; P1369-E1371 PolarHBondContact O-N 2.65Å
1372	I	38.7	Very low	33.1	Very low	146 Å²	146	119 Å²	119	75%	0.749	63%	0.626	S	S	*	*			cis	-151.3	148.7	-2.5	-87.3	142	0	0	0	105.2
1373	G	37.5	Very low	33.6	Very low	58 Å²	58	119.7 Å²	119.7	60%	0.598	63%	0.63	S	S	*	*			cis	139.1	119.5	-0.6	0	0	0	0	0	111.9
1374	D	38.8	Very low	33.8	Very low	141 Å²	141	120 Å²	120	75%	0.754	65%	0.647	S	S	*	*			trans	-177.9	149.5	167.7	-119.8	12.1	0	0	0	108.4
1375	Q	36.7	Very low	33.9	Very low	134 Å²	134	121.8 Å²	121.8	63%	0.626	66%	0.657	S	S	*	*			cis	-162	155.9	-18.5	-145.5	-175.3	97.3	0	0	111.4
1376	Q	34.2	Very low	33.8	Very low	121 Å²	121	124.1 Å²	124.1	57%	0.565	67%	0.669	S	S	*	*			trans	73.8	103.9	158.4	-54.2	-171.6	33.1	0	0	122
1377	R	31.2	Very low	33.9	Very low	192 Å²	192	120.8 Å²	120.8	73%	0.725	67%	0.665	S	S	*	*				88.8	113.4	116.4	-75.7	-164.5	-99.7	-138.4	0.4	122.9
1378	N	35.4	Very low	33.7	Very low	123 Å²	123	118.5 Å²	118.5	66%	0.658	67%	0.666	S	S	*	*				109.2	112.3	120.1	-72.1	13.6	0	0	0	122.1
1379	N	38.1	Very low	33.6	Very low	127 Å²	127	123.4 Å²	123.4	68%	0.679	69%	0.685	S	S	*	*			trans	82.2	109.3	133.7	-53	9.6	0	0	0	122.6
1380	D	30.9	Very low	33.5	Very low	146 Å²	146	129.7 Å²	129.7	78%	0.781	70%	0.7	S	S	*	*				37.6	153.7	105.1	-49.1	-28.7	0	0	0	121.7
1381	P	39.8	Very low	33.7	Very low	104 Å²	104	132.1 Å²	132.1	68%	0.675	70%	0.7	S	S	*	*			cis	-146.6	-160.1	-21.1	36.3	-11.6	0	0	0	115.7
1382	D	35.6	Very low	33.7	Very low	139 Å²	139	132.4 Å²	132.4	74%	0.743	71%	0.706	S	S	*	*			trans	84	135.2	150.2	-60.6	-19.3	0	0	0	124.2
1383	D	37.9	Very low	33.2	Very low	158 Å²	158	130.6 Å²	130.6	85%	0.845	69%	0.694	S	S	*	*			trans	46	120.6	146.4	-62.1	-18.1	0	0	0	125.2
1384	G	31.8	Very low	32.9	Very low	66 Å²	66	134.3 Å²	134.3	68%	0.68	70%	0.699	S	S	*	*				97.3	119.4	103.9	0	0	0	0	0	122.4
1385	D	30.8	Very low	32.6	Very low	159 Å²	159	134.6 Å²	134.6	85%	0.85	70%	0.7	S	S	*	*			trans	56.5	132.7	144.4	-55.5	-18.4	0	0	0	123.9
1386	D	28.7	Very low	32.4	Very low	141 Å²	141	135.9 Å²	135.9	75%	0.754	70%	0.699	S	S	*	*			trans	74.2	112.2	139.2	-90	0.3	0	0	0	124.2
1387	N	28	Very low	32.1	Very low	118 Å²	118	132.9 Å²	132.9	63%	0.631	69%	0.686	S	S	*	*			trans	76.9	109.6	136	-67.2	-70.6	0	0	0	123.6
1388	S	29.8	Very low	32.1	Very low	104 Å²	104	131.2 Å²	131.2	73%	0.727	69%	0.69	S	S	*	*				91.6	134.1	128.1	78.9	0	0	0	0	123.8
1389	M	29.8	Very low	31.9	Very low	157 Å²	157	130.3 Å²	130.3	77%	0.773	70%	0.7	S	S	*	*			trans	77.3	130.5	147.4	-91	-89	-77.3	0	0	121.6
1390	R	31.7	Very low	31.5	Very low	195 Å²	195	126 Å²	126	74%	0.736	68%	0.681	S	S	*	*			trans	88.7	153.6	162.4	-59.6	-177.7	-174	-178.6	6.6	117.4
1391	E	31	Very low	31.3	Very low	95 Å²	95	120.8 Å²	120.8	44%	0.444	66%	0.655	S	S	.	*			cis	-157.7	126.5	-8.3	-117.8	169	148.4	0	0	111.9	R1663	E1391-R1663 IonicContact OE1-CZ 2.69Å; E1391-R1663 IonicContact OE1-NH1 3.78Å; E1391-R1663 PolarHBondContact OE1-NH1 2.97Å; E1391-R1663 IonicContact OE1-NH2 3.57Å; E1391-R1663 PolarHBondContact OE1-NH2 3.15Å; E1391-R1663 VanDerWaalsContact OE1-NH2 3.14Å; E1391-R1663 IonicContact OE2-CZ 2.69Å; E1391-R1663 IonicContact OE2-NH1 3.56Å; E1391-R1663 IonicContact OE2-NH2 3.12Å; E1391-R1663 PolarHBondContact OE2-NH2 3.28Å
1392	L	30.8	Very low	30.7	Very low	157 Å²	157	123.7 Å²	123.7	82%	0.822	67%	0.665	S	S	*	*			trans	42.6	137.8	139.7	-58.9	170.6	0	0	0	122.8
1393	E	29.1	Very low	30.3	Very low	108 Å²	108	123.1 Å²	123.1	51%	0.505	66%	0.658	S	S	.	*			trans	123.7	56.6	132.4	-158.7	157.3	-117.1	0	0	118.6	Q1666	E1393-Q1666 PolarHBondContact OE1-NE2 3.07Å; E1393-Q1666 PolarHBondContact OE2-NE2 3.47Å
1394	I	31.4	Very low	30.1	Very low	136 Å²	136	118.7 Å²	118.7	70%	0.697	64%	0.64	S	S	*	*	S	Bend	trans	-134.6	-16.3	155.4	-107.5	158.9	0	0	0	114	R1396 I1397	I1394-R1396 VanDerWaalsContact C-N 3.28Å; I1394-R1396 PolarHBondContact O-N 2.86Å; I1394-I1397 WeakPolarHBondContact O-CD1 3.42Å
1395	D	32.9	Very low	29.9	Very low	147 Å²	147	122.2 Å²	122.2	79%	0.786	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	52.1	-166.8	-39.2	-69.6	0	0	0	114.9
1396	R	31.9	Very low	29.9	Very low	161 Å²	161	119.6 Å²	119.6	61%	0.608	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.1	-0.6	173	-69.2	-175.9	173	169.4	-2.5	115.2	I1394 E1670 L1983	I1394-R1396 VanDerWaalsContact C-N 3.28Å; I1394-R1396 PolarHBondContact O-N 2.86Å; R1396-E1670 IonicContact CZ-OE1 2.69Å; R1396-E1670 IonicContact NH1-OE1 2.65Å; R1396-E1670 PolarHBondContact NH1-OE1 3.08Å; R1396-E1670 IonicContact NH2-OE1 3.4Å; R1396-L1983 HydrophobicContact CB-CD1 3.99Å; R1396-L1983 HydrophobicContact CB-CD2 3.88Å; R1396-L1983 HydrophobicContact CB-CG 4.23Å
1397	I	28.5	Very low	29.9	Very low	57 Å²	57	121 Å²	121	29%	0.292	64%	0.641	S	S	.	*	S	Bend	trans	-71.9	-43.3	-177.5	-72.1	76.5	0	0	0	112.3	I1394 L1983 S1984	I1394-I1397 WeakPolarHBondContact O-CD1 3.42Å; I1397-L1983 HydrophobicContact CD1-CD1 3.65Å; I1397-L1983 HydrophobicContact CG1-CD1 3.91Å; I1397-S1984 VanDerWaalsContact CG2-OG 3.26Å; I1397-S1984 WeakPolarHBondContact CG2-OG 3.48Å; I1397-S1984 PolarHBondContact O-OG 2.92Å
1398	I	30.1	Very low	29.8	Very low	158 Å²	158	120.9 Å²	120.9	81%	0.81	65%	0.649	S	S	*	*	S	Bend	trans	-95.6	-8	-159.1	-64.7	175.2	0	0	0	113.9	A1400	I1398-A1400 PolarHBondContact O-N 3.16Å
1399	A	31	Very low	29.7	Very low	103 Å²	103	122.4 Å²	122.4	85%	0.851	66%	0.658	S	S	*	*	S	Bend	trans	-78.7	21.6	-179.7	0	0	0	0	0	115.1
1400	A	28.9	Very low	29.5	Very low	36 Å²	36	124.2 Å²	124.2	30%	0.298	66%	0.662	S	S	.	*	S	Bend	trans	-147.7	153.7	-180	0	0	0	0	0	113.2	I1398 S1984 H1985 C1986	I1398-A1400 PolarHBondContact O-N 3.16Å; A1400-S1984 VanDerWaalsContact CB-O 3.26Å; A1400-S1984 WeakPolarHBondContact CB-O 3.12Å; A1400-H1985 HydrophobicContact CB-CB 4.28Å; A1400-C1986 HydrophobicContact CB-CB 4.2Å
1401	T	27.2	Very low	29.2	Very low	37 Å²	37	122.5 Å²	122.5	23%	0.227	67%	0.666	C	S	.	*			trans	42.6	109.1	-145.3	45.1	0	0	0	0	113.7	H1985 C1986	T1401-H1985 HydrophobicContact CG2-CB 3.69Å; T1401-H1985 WeakPolarHBondContact OG1-CB 3.5Å; T1401-H1985 PolarHBondContact OG1-CD2 3.42Å; T1401-C1986 HydrophobicContact CG2-CB 4Å; T1401-C1986 WeakPolarHBondContact CG2-SG 3.25Å
1402	N	27.1	Very low	29	Very low	165 Å²	165	125.2 Å²	125.2	88%	0.882	68%	0.683	S	S	*	*				-127.2	95.3	103.3	-95.9	-66.8	0	0	0	109.7
1403	E	28.8	Very low	28.9	Very low	127 Å²	127	122.5 Å²	122.5	59%	0.593	68%	0.684	S	S	*	*			trans	-152.2	173.1	164.4	-66.3	-164.5	141.3	0	0	108.7	T1988	E1403-T1988 HydrophobicContact CB-CG2 4.46Å; E1403-T1988 WeakPolarHBondContact CB-OG1 3.24Å; E1403-T1988 WeakPolarHBondContact OE2-CB 3.41Å; E1403-T1988 PolarHBondContact OE2-OG1 3.37Å
1404	S	31.8	Very low	28.8	Very low	66 Å²	66	125.6 Å²	125.6	46%	0.462	70%	0.698	S	S	.	*			trans	84.6	68.7	168	80.8	0	0	0	0	121	T1988	S1404-T1988 WeakPolarHBondContact CB-OG1 3.29Å
1405	N	29.4	Very low	28.5	Very low	140 Å²	140	125.9 Å²	125.9	75%	0.749	69%	0.69	S	S	*	*			trans	82.1	150.5	135	-72	-72.1	0	0	0	121.9
1406	P	31	Very low	28.2	Very low	104 Å²	104	124.3 Å²	124.3	68%	0.675	69%	0.691	S	S	*	*			trans	-100.2	172.2	-176.8	40	-37.7	0	0	0	115.4
1407	L	26.9	Very low	28	Very low	170 Å²	170	122.3 Å²	122.3	89%	0.89	70%	0.697	S	S	*	*			trans	100.6	71.4	159.8	-57.6	162.3	0	0	0	119.3
1408	S	27.7	Very low	27.8	Very low	115 Å²	115	127.3 Å²	127.3	80%	0.804	71%	0.712	S	S	*	*			trans	-153.2	30	154.8	64.1	0	0	0	0	118.2
1409	C	26	Very low	27.5	Very low	136 Å²	136	123.4 Å²	123.4	92%	0.919	70%	0.699	S	S	*	*			trans	-91.8	7.3	170.5	-53.2	0	0	0	0	114.2
1410	F	25.5	Very low	27.2	Very low	196 Å²	196	126.4 Å²	126.4	86%	0.86	70%	0.695	S	S	*	*			trans	-91.1	131	173	-105.8	-97.8	0	0	0	110.1
1411	I	26.9	Very low	27	Very low	159 Å²	159	129.5 Å²	129.5	82%	0.815	71%	0.706	S	S	*	*	S	Bend	trans	76.2	86.6	-177.6	-45.2	163.8	0	0	0	111.3
1412	D	25.9	Very low	27	Very low	151 Å²	151	132.4 Å²	132.4	81%	0.807	72%	0.724	S	S	*	*	S	Bend		-148.1	11.1	86.6	-135.9	-1.3	0	0	0	116.6	H1414	D1412-H1414 VanDerWaalsContact C-N 3.28Å; D1412-H1414 PolarHBondContact O-N 3.06Å
1413	A	28.5	Very low	26.9	Very low	101 Å²	101	133.9 Å²	133.9	84%	0.835	72%	0.717	S	S	*	*			trans	-77.7	62	-179.6	0	0	0	0	0	114.2
1414	H	26.6	Very low	26.8	Very low	173 Å²	173	132 Å²	132	80%	0.801	71%	0.71	S	S	*	*			trans	-134.8	33	-175	-113.4	25.6	0	0	0	117.2	D1412	D1412-H1414 VanDerWaalsContact C-N 3.28Å; D1412-H1414 PolarHBondContact O-N 3.06Å
1415	R	26.2	Very low	26.5	Very low	141 Å²	141	138.3 Å²	138.3	53%	0.532	72%	0.724	S	S	.	*	S	Bend	trans	-163.5	124.7	160.5	-114.6	138.6	-177.2	-62.7	-38.6	118.5	S2001 T2002 R2003	R1415-S2001 PolarHBondContact NE-O 3.29Å; R1415-T2002 VanDerWaalsContact CZ-O 3.26Å; R1415-T2002 VanDerWaalsContact CZ-OG1 3.26Å; R1415-T2002 PolarHBondContact NE-O 2.86Å; R1415-T2002 VanDerWaalsContact NH2-C 3.25Å; R1415-T2002 PolarHBondContact NH2-O 3.19Å; R1415-T2002 PolarHBondContact NH2-OG1 2.9Å; R1415-T2002 VanDerWaalsContact NH2-OG1 3.16Å; R1415-R2003 PolarHBondContact NH2-O 2.88Å
1416	S	25.6	Very low	26.3	Very low	115 Å²	115	136.2 Å²	136.2	80%	0.804	71%	0.712	S	S	*	*			trans	75.5	151	-176.7	-36.7	0	0	0	0	112.3
1417	T	28.3	Very low	26	Very low	118 Å²	118	137.9 Å²	137.9	72%	0.724	71%	0.705	S	S	*	*			cis	-112.4	164.5	1.3	44.2	0	0	0	0	112.7
1418	W	24.1	Very low	26	Very low	162 Å²	162	137.6 Å²	137.6	61%	0.614	70%	0.699	S	S	*	*			trans	-122.9	75	177.4	-120.9	60.5	0	0	0	108.5
1419	S	23.7	Very low	25.9	Very low	77 Å²	77	138.6 Å²	138.6	54%	0.538	69%	0.694	S	S	.	*			trans	-167.8	141.3	-177	48.6	0	0	0	0	112.8
1420	H	24.9	Very low	26	Very low	165 Å²	165	139.7 Å²	139.7	76%	0.764	69%	0.686	S	S	*	*			trans	69.9	150.8	-178.5	-56.2	-104.5	0	0	0	116.5
1421	L	26.1	Very low	26.1	Very low	101 Å²	101	138.9 Å²	138.9	53%	0.529	68%	0.679	S	S	.	*			cis	-145.4	133.5	-42	-92.3	168.3	0	0	0	103.4	L1878	L1421-L1878 HydrophobicContact CB-CD2 3.84Å; L1421-L1878 HydrophobicContact CD1-CD1 4.11Å; L1421-L1878 HydrophobicContact CD1-CD2 3.43Å; L1421-L1878 VanDerWaalsContact CD1-CD2 3.43Å; L1421-L1878 HydrophobicContact CD1-CG 4.43Å; L1421-L1878 HydrophobicContact CG-CD2 4.19Å
1422	V	26.6	Very low	26	Very low	99 Å²	99	136.4 Å²	136.4	60%	0.6	68%	0.675	S	S	*	*				64.8	96.5	65.7	-176.4	0	0	0	0	114.5
1423	R	25.2	Very low	26	Very low	195 Å²	195	136 Å²	136	74%	0.736	67%	0.668	S	S	*	*			trans	74.5	109.6	164.3	-55.4	163.7	-176.3	165.3	-2.9	118.6
1424	I	25.4	Very low	25.8	Very low	87 Å²	87	134 Å²	134	45%	0.446	65%	0.646	S	S	.	*				-135.7	137.6	100	-74.8	107	0	0	0	107.7	P1880	I1424-P1880 HydrophobicContact CG1-CB 4.08Å
1425	W	26.4	Very low	25.7	Very low	200 Å²	200	130.9 Å²	130.9	76%	0.758	64%	0.639	S	S	*	*			trans	-145.7	77.2	161.4	-176.9	42.9	0	0	0	106.9
1426	D	25.3	Very low	25.5	Very low	95 Å²	95	128.9 Å²	128.9	51%	0.508	64%	0.643	S	S	.	*			trans	-162.4	151.1	174.6	-151	-10.3	0	0	0	110.6
1427	R	23.5	Very low	25.4	Very low	139 Å²	139	128.5 Å²	128.5	53%	0.525	64%	0.636	S	S	.	*			trans	63.1	154.4	167.8	-62.3	140.4	-145.6	-133.9	-7.2	118.1	P1881 G1882	R1427-P1881 WeakPolarHBondContact CD-O 3.48Å; R1427-P1881 PolarHBondContact NH1-O 2.98Å; R1427-G1882 PolarHBondContact NH1-O 2.62Å
1428	Q	28	Very low	25.2	Very low	164 Å²	164	127.7 Å²	127.7	77%	0.766	63%	0.63	S	S	*	*			cis	-110.6	124.3	-3.7	-71.6	174.7	-41.5	0	0	111.2
1429	I	26.4	Very low	25.2	Very low	137 Å²	137	125.9 Å²	125.9	70%	0.703	64%	0.637	S	S	*	*			trans	-84.6	111.1	142.3	-61.9	172.3	0	0	0	104.5	Y1431	I1429-Y1431 HydrophobicContact CB-CD2 4.37Å; I1429-Y1431 HydrophobicContact CG2-CD2 3.51Å; I1429-Y1431 HydrophobicContact CG2-CE2 3.74Å; I1429-Y1431 HydrophobicContact CG2-CG 4.13Å; I1429-Y1431 PolarHBondContact O-N 3.23Å; I1429-Y1431 VanDerWaalsContact O-N 3.16Å
1430	Q	27	Very low	25.3	Very low	159 Å²	159	127.5 Å²	127.5	74%	0.743	64%	0.644	S	S	*	*			trans	-76.3	95.1	162.3	-86.2	-177.6	-38	0	0	108	S1432	Q1430-S1432 PolarHBondContact O-N 2.78Å
1431	Y	28.4	Very low	25.4	Very low	179 Å²	179	125.3 Å²	125.3	70%	0.702	65%	0.645	S	S	*	*			trans	-76.4	94.4	160	-89.9	-75.7	0	0	0	108.3	I1429 H1433	I1429-Y1431 HydrophobicContact CB-CD2 4.37Å; I1429-Y1431 HydrophobicContact CG2-CD2 3.51Å; I1429-Y1431 HydrophobicContact CG2-CE2 3.74Å; I1429-Y1431 HydrophobicContact CG2-CG 4.13Å; I1429-Y1431 PolarHBondContact O-N 3.23Å; I1429-Y1431 VanDerWaalsContact O-N 3.16Å; Y1431-H1433 AromaticContact CD1-CD2 3.68Å; Y1431-H1433 AromaticContact CD1-NE2 3.68Å; Y1431-H1433 AromaticContact CE1-NE2 3.92Å
1432	S	25.1	Very low	25.4	Very low	106 Å²	106	123.9 Å²	123.9	74%	0.741	65%	0.654	S	S	*	*			trans	-94.2	77.5	162.1	39.5	0	0	0	0	109.5	Q1430 T1434	Q1430-S1432 PolarHBondContact O-N 2.78Å; S1432-T1434 PolarHBondContact O-N 3.33Å
1433	H	24.3	Very low	25.4	Very low	143 Å²	143	125.2 Å²	125.2	66%	0.662	66%	0.663	S	S	*	*			trans	-69.9	108.9	165.2	-88.2	-86.9	0	0	0	109.8	Y1431	Y1431-H1433 AromaticContact CD1-CD2 3.68Å; Y1431-H1433 AromaticContact CD1-NE2 3.68Å; Y1431-H1433 AromaticContact CE1-NE2 3.92Å
1434	T	24.2	Very low	25.4	Very low	59 Å²	59	121.3 Å²	121.3	36%	0.362	66%	0.66	S	S	.	*			trans	-175.7	112.9	147.3	14.4	0	0	0	0	105.1	N1215 S1432	N1215-T1434 PolarHBondContact OD1-O 2.85Å; S1432-T1434 PolarHBondContact O-N 3.33Å
1435	T	24.5	Very low	25.4	Very low	107 Å²	107	123.7 Å²	123.7	66%	0.656	67%	0.674	S	S	*	*			cis	64.8	144.8	45.2	-42.4	0	0	0	0	111.4
1436	T	23.3	Very low	25.3	Very low	100 Å²	100	122.7 Å²	122.7	61%	0.613	67%	0.671	S	S	*	*			trans	66	127.3	167.1	32.1	0	0	0	0	116.5
1437	T	23.4	Very low	25.4	Very low	107 Å²	107	125.3 Å²	125.3	66%	0.656	68%	0.681	S	S	*	*			cis	-169.6	-168.1	-10.5	0.9	0	0	0	0	109.3
1438	T	22.7	Very low	25.5	Very low	100 Å²	100	123.3 Å²	123.3	61%	0.613	69%	0.688	S	S	*	*			trans	46.3	116.7	140.7	49.4	0	0	0	0	119.1
1439	T	24.3	Very low	25.5	Very low	124 Å²	124	121.1 Å²	121.1	76%	0.761	69%	0.686	S	S	*	*				-159.8	116.4	84.4	31.8	0	0	0	0	107.5
1440	T	25.7	Very low	25.6	Very low	112 Å²	112	121.2 Å²	121.2	69%	0.687	68%	0.681	S	S	*	*				62.9	155.9	78.4	65.1	0	0	0	0	114
1441	P	28	Very low	25.7	Very low	119 Å²	119	120.2 Å²	120.2	77%	0.773	68%	0.68	S	S	*	*			cis	-124.4	155.6	-4.9	38.4	-24.1	0	0	0	115.2
1442	G	26.8	Very low	25.8	Very low	70 Å²	70	116.4 Å²	116.4	72%	0.722	67%	0.668	S	S	*	*			trans	65.7	-178.1	159.5	0	0	0	0	0	116.8
1443	T	25.2	Very low	26.1	Very low	127 Å²	127	116 Å²	116	78%	0.779	66%	0.661	S	S	*	*			cis	-158.7	156.7	-17	-3.1	0	0	0	0	108.6
1444	T	24.9	Very low	26.4	Very low	113 Å²	113	117.1 Å²	117.1	69%	0.693	67%	0.672	S	S	*	*			trans	59.6	132.9	160.4	47.8	0	0	0	0	119.4
1445	D	25.6	Very low	26.5	Very low	137 Å²	137	121.5 Å²	121.5	73%	0.733	69%	0.688	S	S	*	*			trans	74.1	142.4	136.4	-64.2	7.1	0	0	0	121.1
1446	Y	25.1	Very low	26.8	Very low	179 Å²	179	119.6 Å²	119.6	70%	0.702	69%	0.691	S	S	*	*			cis	-160.9	162.4	-23.5	-145.1	-122.2	0	0	0	108.8
1447	Q	27.2	Very low	26.8	Very low	150 Å²	150	119.9 Å²	119.9	70%	0.701	70%	0.697	S	S	*	*			trans	35.3	98.3	159.6	-76.4	174.7	-10.7	0	0	121.4
1448	S	25	Very low	26.9	Very low	98 Å²	98	120.8 Å²	120.8	69%	0.685	71%	0.706	S	S	*	*				54.1	117.9	99.9	-60	0	0	0	0	122.4
1449	T	28.4	Very low	27.3	Very low	118 Å²	118	119.5 Å²	119.5	72%	0.724	71%	0.705	S	S	*	*				95	142.4	116.2	57.6	0	0	0	0	124
1450	K	29.4	Very low	27.4	Very low	138 Å²	138	124.6 Å²	124.6	60%	0.6	71%	0.711	S	S	*	*			trans	70.4	152.9	148.2	-71.9	163.9	174.8	-115.8	0	116.6	E1452	K1450-E1452 VanDerWaalsContact CD-OE2 3.24Å; K1450-E1452 WeakPolarHBondContact CD-OE2 3.16Å; K1450-E1452 VanDerWaalsContact CE-OE1 3.29Å; K1450-E1452 WeakPolarHBondContact CE-OE1 3.46Å; K1450-E1452 WeakPolarHBondContact CE-OE2 3.42Å; K1450-E1452 HydrophobicContact CG-CG 4.03Å; K1450-E1452 VanDerWaalsContact CG-OE2 3.29Å; K1450-E1452 WeakPolarHBondContact CG-OE2 3.39Å; K1450-E1452 IonicContact NZ-OE1 2.87Å; K1450-E1452 PolarHBondContact NZ-OE1 2.81Å; K1450-E1452 IonicContact NZ-OE2 3.74Å; K1450-E1452 PolarHBondContact NZ-OE2 3.45Å
1451	I	28.2	Very low	27.4	Very low	139 Å²	139	123.6 Å²	123.6	71%	0.713	70%	0.704	S	S	*	*			cis	-123.4	130	22.1	-71.8	167.6	0	0	0	108.4
1452	E	30.8	Very low	27.2	Very low	98 Å²	98	124.2 Å²	124.2	46%	0.458	70%	0.701	S	S	.	*				71.2	154.6	64.9	-82.8	177.4	148.5	0	0	113.9	K1450 H1455	K1450-E1452 VanDerWaalsContact CD-OE2 3.24Å; K1450-E1452 WeakPolarHBondContact CD-OE2 3.16Å; K1450-E1452 VanDerWaalsContact CE-OE1 3.29Å; K1450-E1452 WeakPolarHBondContact CE-OE1 3.46Å; K1450-E1452 WeakPolarHBondContact CE-OE2 3.42Å; K1450-E1452 HydrophobicContact CG-CG 4.03Å; K1450-E1452 VanDerWaalsContact CG-OE2 3.29Å; K1450-E1452 WeakPolarHBondContact CG-OE2 3.39Å; K1450-E1452 IonicContact NZ-OE1 2.87Å; K1450-E1452 PolarHBondContact NZ-OE1 2.81Å; K1450-E1452 IonicContact NZ-OE2 3.74Å; K1450-E1452 PolarHBondContact NZ-OE2 3.45Å; E1452-H1455 IonicContact OE1-NE2 2.56Å
1453	T	30.6	Very low	27.2	Very low	97 Å²	97	127.1 Å²	127.1	60%	0.595	70%	0.699	S	S	*	*			cis	-142.5	153.1	-1.1	30.9	0	0	0	0	109.9
1454	N	31.2	Very low	27.3	Very low	167 Å²	167	127.8 Å²	127.8	89%	0.893	70%	0.697	S	S	*	*				-160.9	117.8	123.2	-111	-16	0	0	0	108.9
1455	H	26	Very low	27.2	Very low	151 Å²	151	132.2 Å²	132.2	70%	0.699	70%	0.702	S	S	*	*			trans	-104.3	119.6	-167.5	-74	-107	0	0	0	112.3	E1452	E1452-H1455 IonicContact OE1-NE2 2.56Å
1456	G	30.4	Very low	27.2	Very low	68 Å²	68	131 Å²	131	70%	0.701	70%	0.703	S	S	*	*			trans	-113	99.5	155.7	0	0	0	0	0	109.1
1457	S	24.3	Very low	27.1	Very low	106 Å²	106	125 Å²	125	74%	0.741	70%	0.696	S	S	*	*			trans	9.9	117.9	141.3	50.9	0	0	0	0	117.3
1458	C	26	Very low	27.3	Very low	126 Å²	126	129.2 Å²	129.2	85%	0.851	71%	0.706	S	S	*	*				72.3	117.2	75.7	-167.5	0	0	0	0	111.3
1459	A	30.4	Very low	27.4	Very low	72 Å²	72	127 Å²	127	60%	0.595	70%	0.699	S	S	*	*			cis	-136.1	155.8	7.8	0	0	0	0	0	109.3
1460	R	27.3	Very low	27.2	Very low	232 Å²	232	129.5 Å²	129.5	88%	0.875	71%	0.706	S	S	*	*			cis	59.5	160	31.4	-145.2	-171.1	171	108.4	0.9	112.9
1461	T	24.9	Very low	26.8	Very low	90 Å²	90	127.8 Å²	127.8	55%	0.552	70%	0.704	S	S	*	*			trans	59.8	129.6	161.1	54.6	0	0	0	0	117.4
1462	D	24.4	Very low	26.7	Very low	133 Å²	133	129.8 Å²	129.8	71%	0.711	72%	0.716	S	S	*	*			cis	-165.8	175.4	4	-118.8	-20.4	0	0	0	113.8
1463	L	26.1	Very low	26.4	Very low	130 Å²	130	130.7 Å²	130.7	68%	0.681	72%	0.723	S	S	*	*			trans	47.9	102.5	150.3	-64.2	163.1	0	0	0	116.4
1464	I	26.2	Very low	26.1	Very low	141 Å²	141	130.9 Å²	130.9	72%	0.723	73%	0.728	S	S	*	*				48.5	96.7	80	-51.8	174.3	0	0	0	111.9
1465	Y	24.5	Very low	25.9	Very low	207 Å²	207	127.5 Å²	127.5	81%	0.812	72%	0.718	S	S	*	*				-134.7	93.8	127.8	-153.3	-93.2	0	0	0	111.1	G1467	Y1465-G1467 VanDerWaalsContact C-N 3.33Å; Y1465-G1467 PolarHBondContact O-N 3.35Å; Y1465-G1467 VanDerWaalsContact O-N 3.08Å
1466	C	24.8	Very low	26.1	Very low	110 Å²	110	127 Å²	127	74%	0.743	72%	0.72	S	S	*	*			trans	-72.9	91.5	161	-68.2	0	0	0	0	108.6
1467	G	24	Very low	26.1	Very low	55 Å²	55	130.2 Å²	130.2	57%	0.567	72%	0.721	S	S	*	*			trans	-98.4	124.2	160.2	0	0	0	0	0	109.8	Y1465	Y1465-G1467 VanDerWaalsContact C-N 3.33Å; Y1465-G1467 PolarHBondContact O-N 3.35Å; Y1465-G1467 VanDerWaalsContact O-N 3.08Å
1468	R	30.5	Very low	26.8	Very low	238 Å²	238	132.7 Å²	132.7	90%	0.898	72%	0.721	S	S	*	*			cis	47.6	78.9	8.1	-79.6	-161.9	176.9	-154.3	2.2	113.6
1469	G	28.1	Very low	27.6	Very low	52 Å²	52	133.9 Å²	133.9	54%	0.536	71%	0.714	S	S	.	*			cis	170.9	-155.5	6.2	0	0	0	0	0	107.8
1470	L	22.3	Very low	27.9	Very low	169 Å²	169	136.7 Å²	136.7	89%	0.885	71%	0.713	S	S	*	*			trans	66	163.2	-166.7	-38.3	162.8	0	0	0	108.1
1471	D	22.2	Very low	28.2	Very low	103 Å²	103	134.5 Å²	134.5	55%	0.551	71%	0.705	S	S	*	*			cis	-154.6	140.7	39.7	-104.1	-34.3	0	0	0	111.9	I1473	D1471-I1473 HydrophobicContact CB-CB 3.74Å; D1471-I1473 HydrophobicContact CB-CG1 3.94Å; D1471-I1473 PolarHBondContact O-N 2.9Å; D1471-I1473 WeakPolarHBondContact OD1-CD1 3.4Å; D1471-I1473 VanDerWaalsContact OD1-CG1 3.29Å; D1471-I1473 WeakPolarHBondContact OD1-CG1 3.29Å
1472	N	26.1	Very low	29	Very low	181 Å²	181	134.3 Å²	134.3	97%	0.968	70%	0.701	S	S	*	*	S	Bend	trans	-82.2	49.3	152.9	-92	-19.1	0	0	0	109.1
1473	I	23.8	Very low	30.4	Very low	117 Å²	117	132.3 Å²	132.3	60%	0.6	69%	0.689	S	S	*	*			trans	-135	119.4	-173.2	-52.5	-174.4	0	0	0	111.1	D1471	D1471-I1473 HydrophobicContact CB-CB 3.74Å; D1471-I1473 HydrophobicContact CB-CG1 3.94Å; D1471-I1473 PolarHBondContact O-N 2.9Å; D1471-I1473 WeakPolarHBondContact OD1-CD1 3.4Å; D1471-I1473 VanDerWaalsContact OD1-CG1 3.29Å; D1471-I1473 WeakPolarHBondContact OD1-CG1 3.29Å
1474	S	24.9	Very low	30.9	Very low	100 Å²	100	130.4 Å²	130.4	70%	0.699	68%	0.676	S	S	*	*			trans	42.7	128.2	154.2	-155.9	0	0	0	0	121
1475	S	26.5	Very low	31.6	Very low	97 Å²	97	130.4 Å²	130.4	68%	0.678	67%	0.671	S	S	*	*	S	Bend	trans	-46.2	138.3	148.3	48	0	0	0	0	112.6
1476	N	30.1	Very low	32.4	Very low	141 Å²	141	124.2 Å²	124.2	75%	0.754	66%	0.657	S	S	*	*			trans	175.8	-29.4	135.3	-88.7	-12.4	0	0	0	114.4	Q1478	N1476-Q1478 PolarHBondContact O-N 3.25Å
1477	N	31.9	Very low	33.1	Very low	135 Å²	135	123.3 Å²	123.3	72%	0.722	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	19.2	-166.2	-75.1	-25.3	0	0	0	116.9	E1479	N1477-E1479 PolarHBondContact O-N 3.11Å
1478	Q	38.4	Very low	33.7	Very low	157 Å²	157	126.7 Å²	126.7	73%	0.734	65%	0.649	S	S	*	*	H	α-helix	trans	-74.6	-24.9	-176.6	-161.1	166.4	10.5	0	0	113.3	N1476 N1482	N1476-Q1478 PolarHBondContact O-N 3.25Å; Q1478-N1482 PolarHBondContact O-N 2.86Å; Q1478-N1482 PolarHBondContact O-ND2 2.88Å
1479	E	41.9	Very low	34	Very low	152 Å²	152	123.6 Å²	123.6	71%	0.71	64%	0.643	S	S	*	*	H	α-helix	trans	-71.1	-39.2	177.7	-63.6	-168.7	134.3	0	0	112.6	N1477 W1481 N1482 I1483	N1477-E1479 PolarHBondContact O-N 3.11Å; E1479-W1481 VanDerWaalsContact C-N 3.33Å; E1479-W1481 PolarHBondContact O-N 2.76Å; E1479-N1482 PolarHBondContact O-N 3.23Å; E1479-N1482 VanDerWaalsContact O-N 3.11Å; E1479-I1483 WeakPolarHBondContact O-CG1 3.46Å; E1479-I1483 PolarHBondContact O-N 3.49Å
1480	F	37.3	Very low	34.4	Very low	131 Å²	131	126 Å²	126	58%	0.575	65%	0.647	S	S	*	*	H	α-helix	trans	-61.9	-40	179.7	-171.5	-97.1	0	0	0	112.3	I1483 Q1484	F1480-I1483 PolarHBondContact O-N 2.88Å; F1480-Q1484 HydrophobicContact CD1-CG 4.09Å; F1480-Q1484 HydrophobicContact CE1-CG 3.83Å; F1480-Q1484 HydrophobicContact CZ-CG 4.31Å; F1480-Q1484 WeakPolarHBondContact O-CB 3.34Å; F1480-Q1484 WeakPolarHBondContact O-CG 3.43Å; F1480-Q1484 PolarHBondContact O-N 3.42Å
1481	W	32.4	Very low	34.9	Very low	186 Å²	186	126.5 Å²	126.5	71%	0.705	64%	0.642	S	S	*	*	H	α-helix	trans	-68.5	-31.3	174.9	-91	104	0	0	0	113.5	E1479 K1485	E1479-W1481 VanDerWaalsContact C-N 3.33Å; E1479-W1481 PolarHBondContact O-N 2.76Å; W1481-K1485 PolarHBondContact O-N 3.14Å; W1481-K1485 VanDerWaalsContact O-N 3.08Å
1482	N	43.5	Very low	35.4	Very low	86 Å²	86	131 Å²	131	46%	0.46	65%	0.653	S	S	.	*	H	α-helix	trans	-72.7	-40.2	172.1	-73.5	-25	0	0	0	111.4	Q1478 E1479 K1485 C1486	Q1478-N1482 PolarHBondContact O-N 2.86Å; Q1478-N1482 PolarHBondContact O-ND2 2.88Å; E1479-N1482 PolarHBondContact O-N 3.23Å; E1479-N1482 VanDerWaalsContact O-N 3.11Å; N1482-K1485 WeakPolarHBondContact O-CB 3.46Å; N1482-K1485 PolarHBondContact O-N 2.76Å; N1482-C1486 PolarHBondContact O-N 2.88Å; N1482-C1486 PolarHBondContact O-SG 3.21Å; N1482-C1486 VanDerWaalsContact O-SG 3.35Å
1483	I	52.1	Low	35.5	Very low	91 Å²	91	125.3 Å²	125.3	47%	0.467	63%	0.631	S	S	.	*	H	α-helix	trans	-63.4	-42.8	174.7	-69.5	164.1	0	0	0	110.9	E1479 F1480 C1486 N1487	E1479-I1483 WeakPolarHBondContact O-CG1 3.46Å; E1479-I1483 PolarHBondContact O-N 3.49Å; F1480-I1483 PolarHBondContact O-N 2.88Å; I1483-C1486 PolarHBondContact O-N 3.02Å; I1483-N1487 WeakPolarHBondContact O-CB 3.33Å; I1483-N1487 PolarHBondContact O-N 2.86Å; I1483-N1487 PolarHBondContact O-ND2 2.92Å
1484	Q	37.5	Very low	35.6	Very low	89 Å²	89	127.1 Å²	127.1	42%	0.416	64%	0.642	S	S	.	*	H	α-helix	trans	-60.9	-43.8	172.7	-74.7	-73.2	-5	0	0	111.9	F1480 N1487 L1488	F1480-Q1484 HydrophobicContact CD1-CG 4.09Å; F1480-Q1484 HydrophobicContact CE1-CG 3.83Å; F1480-Q1484 HydrophobicContact CZ-CG 4.31Å; F1480-Q1484 WeakPolarHBondContact O-CB 3.34Å; F1480-Q1484 WeakPolarHBondContact O-CG 3.43Å; F1480-Q1484 PolarHBondContact O-N 3.42Å; Q1484-N1487 PolarHBondContact O-N 2.85Å; Q1484-L1488 PolarHBondContact O-N 2.63Å
1485	K	40.3	Very low	36	Very low	141 Å²	141	128.3 Å²	128.3	61%	0.613	65%	0.645	S	S	*	*	H	α-helix	trans	-60.6	-45	173.3	-90.2	-179.5	173.7	173.8	0	112.8	W1481 N1482 L1488 F1489	W1481-K1485 PolarHBondContact O-N 3.14Å; W1481-K1485 VanDerWaalsContact O-N 3.08Å; N1482-K1485 WeakPolarHBondContact O-CB 3.46Å; N1482-K1485 PolarHBondContact O-N 2.76Å; K1485-L1488 PolarHBondContact O-N 2.87Å; K1485-F1489 PolarHBondContact O-N 3.07Å
1486	C	41.8	Very low	36	Very low	77 Å²	77	127.4 Å²	127.4	52%	0.52	64%	0.643	S	S	.	*	H	α-helix	trans	-61.8	-48.7	176.3	-71.9	0	0	0	0	111.1	N1482 I1483 L1488 F1489 T1490	N1482-C1486 PolarHBondContact O-N 2.88Å; N1482-C1486 PolarHBondContact O-SG 3.21Å; N1482-C1486 VanDerWaalsContact O-SG 3.35Å; I1483-C1486 PolarHBondContact O-N 3.02Å; C1486-L1488 VanDerWaalsContact C-N 3.28Å; C1486-L1488 PolarHBondContact O-N 2.9Å; C1486-F1489 CarbonylContact O-C 3.38Å; C1486-F1489 WeakPolarHBondContact O-CA 3.25Å; C1486-F1489 WeakPolarHBondContact O-CB 3.25Å; C1486-F1489 PolarHBondContact O-N 3.44Å; C1486-T1490 PolarHBondContact O-N 3.17Å; C1486-T1490 PolarHBondContact O-OG1 2.87Å
1487	N	40.2	Very low	36	Very low	91 Å²	91	128.7 Å²	128.7	49%	0.487	65%	0.649	S	S	.	*	H	α-helix	trans	-62	-32.7	179.7	-71.3	-15.8	0	0	0	113.1	I1483 Q1484 T1490 K1491	I1483-N1487 WeakPolarHBondContact O-CB 3.33Å; I1483-N1487 PolarHBondContact O-N 2.86Å; I1483-N1487 PolarHBondContact O-ND2 2.92Å; Q1484-N1487 PolarHBondContact O-N 2.85Å; N1487-T1490 PolarHBondContact O-N 3.41Å; N1487-K1491 PolarHBondContact O-N 3.15Å
1488	L	36.7	Very low	36.3	Very low	126 Å²	126	125.1 Å²	125.1	66%	0.66	64%	0.644	S	S	*	*	H	α-helix	trans	-67.5	-36.2	173.1	-144.1	79.9	0	0	0	112	Q1484 K1485 C1486	Q1484-L1488 PolarHBondContact O-N 2.63Å; K1485-L1488 PolarHBondContact O-N 2.87Å; C1486-L1488 VanDerWaalsContact C-N 3.28Å; C1486-L1488 PolarHBondContact O-N 2.9Å
1489	F	35.1	Very low	36.1	Very low	173 Å²	173	124.4 Å²	124.4	76%	0.759	65%	0.653	S	S	*	*	H	α-helix	trans	-74.2	-31.1	173.7	-93.8	-90.7	0	0	0	113.3	K1485 C1486 K1491	K1485-F1489 PolarHBondContact O-N 3.07Å; C1486-F1489 CarbonylContact O-C 3.38Å; C1486-F1489 WeakPolarHBondContact O-CA 3.25Å; C1486-F1489 WeakPolarHBondContact O-CB 3.25Å; C1486-F1489 PolarHBondContact O-N 3.44Å; F1489-K1491 VanDerWaalsContact C-N 3.3Å; F1489-K1491 PolarHBondContact O-N 2.86Å
1490	T	37.3	Very low	35.4	Very low	103 Å²	103	119.1 Å²	119.1	63%	0.632	64%	0.64	S	S	*	*	H	α-helix	trans	-74.1	-18.3	178.3	-48.8	0	0	0	0	113.1	C1486 N1487	C1486-T1490 PolarHBondContact O-N 3.17Å; C1486-T1490 PolarHBondContact O-OG1 2.87Å; N1487-T1490 PolarHBondContact O-N 3.41Å
1491	K	31.9	Very low	35	Very low	179 Å²	179	118.7 Å²	118.7	78%	0.778	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	-0.7	-175.9	-136.8	178.1	-175.4	-177	0	115.7	N1487 F1489	N1487-K1491 PolarHBondContact O-N 3.15Å; F1489-K1491 VanDerWaalsContact C-N 3.3Å; F1489-K1491 PolarHBondContact O-N 2.86Å
1492	Y	34.3	Very low	34.7	Very low	197 Å²	197	116.6 Å²	116.6	77%	0.773	65%	0.65	S	S	*	*	S	Bend	trans	-133.7	26.4	177.5	-72.6	-78.7	0	0	0	112.4
1493	A	28.4	Very low	33.9	Very low	62 Å²	62	118.5 Å²	118.5	51%	0.512	66%	0.66	S	S	.	*			trans	-82	-27.6	-175.5	0	0	0	0	0	114.3	T1495	A1493-T1495 PolarHBondContact O-N 3.4Å
1494	D	25.9	Very low	32.6	Very low	156 Å²	156	124 Å²	124	83%	0.834	68%	0.676	S	S	*	*	S	Bend	trans	-102.5	61.7	-172	-67.4	-52.6	0	0	0	113.4
1495	T	32.4	Very low	32.1	Very low	125 Å²	125	126.5 Å²	126.5	77%	0.767	69%	0.691	S	S	*	*	S	Bend	trans	-168.8	65.5	159.6	21.3	0	0	0	0	107.5	A1493	A1493-T1495 PolarHBondContact O-N 3.4Å
1496	A	27.3	Very low	31.4	Very low	77 Å²	77	124.3 Å²	124.3	64%	0.636	69%	0.694	S	S	*	*				59.7	96.9	78	0	0	0	0	0	111.6
1497	I	28.9	Very low	30.5	Very low	168 Å²	168	126 Å²	126	86%	0.862	71%	0.706	S	S	*	*				69	130.2	55.9	-51.7	161.8	0	0	0	110.1
1498	G	37.6	Very low	29.7	Very low	61 Å²	61	127.1 Å²	127.1	63%	0.629	72%	0.721	S	S	*	*			cis	125.3	148.8	15	0	0	0	0	0	109.7
1499	P	35.6	Very low	29.1	Very low	141 Å²	141	125.4 Å²	125.4	92%	0.916	72%	0.72	S	S	*	*				-154.3	173.9	98.2	40	-22.4	0	0	0	115.5
1500	G	27.4	Very low	28.6	Very low	42 Å²	42	124.6 Å²	124.6	43%	0.433	72%	0.722	S	S	.	*			trans	144.8	-20.3	157	0	0	0	0	0	118.2	K1027 N1502	K1027-G1500 PolarHBondContact NZ-O 3.3Å; G1500-N1502 PolarHBondContact O-N 2.98Å
1501	V	29	Very low	27.9	Very low	122 Å²	122	126.3 Å²	126.3	74%	0.739	73%	0.726	S	S	*	*			trans	-91.1	105.8	-176.7	-167	0	0	0	0	111.3	L1503	V1501-L1503 VanDerWaalsContact C-N 3.28Å; V1501-L1503 HydrophobicContact CG1-CD1 4.47Å; V1501-L1503 HydrophobicContact CG1-CG 3.92Å; V1501-L1503 PolarHBondContact O-N 3.26Å
1502	N	25.1	Very low	27.7	Very low	141 Å²	141	123.8 Å²	123.8	75%	0.754	73%	0.728	S	S	*	*			trans	-80.6	73.4	175.3	-162.5	-21.6	0	0	0	110.9	G1500 Y1504	G1500-N1502 PolarHBondContact O-N 2.98Å; N1502-Y1504 PolarHBondContact O-N 2.93Å
1503	L	26.7	Very low	27.2	Very low	127 Å²	127	119.5 Å²	119.5	67%	0.665	73%	0.726	S	S	*	*			trans	-77.1	108.7	172.9	-87.9	174.1	0	0	0	110.6	V1501 L1505	V1501-L1503 VanDerWaalsContact C-N 3.28Å; V1501-L1503 HydrophobicContact CG1-CD1 4.47Å; V1501-L1503 HydrophobicContact CG1-CG 3.92Å; V1501-L1503 PolarHBondContact O-N 3.26Å; L1503-L1505 HydrophobicContact CB-CD1 3.95Å; L1503-L1505 HydrophobicContact CD1-CD1 4.15Å; L1503-L1505 HydrophobicContact CD2-CD1 4.14Å; L1503-L1505 HydrophobicContact CG-CD1 4.31Å; L1503-L1505 PolarHBondContact O-N 3.39Å
1504	Y	25.1	Very low	27	Very low	206 Å²	206	123.2 Å²	123.2	81%	0.808	74%	0.738	S	S	*	*			trans	-71.8	77.8	161.6	-99.6	-91.5	0	0	0	110.6	N1502	N1502-Y1504 PolarHBondContact O-N 2.93Å
1505	L	28.1	Very low	27	Very low	141 Å²	141	122.3 Å²	122.3	74%	0.738	73%	0.73	S	S	*	*			trans	-86.1	94.6	154.4	-90.8	79.7	0	0	0	108.5	L1503	L1503-L1505 HydrophobicContact CB-CD1 3.95Å; L1503-L1505 HydrophobicContact CD1-CD1 4.15Å; L1503-L1505 HydrophobicContact CD2-CD1 4.14Å; L1503-L1505 HydrophobicContact CG-CD1 4.31Å; L1503-L1505 PolarHBondContact O-N 3.39Å
1506	S	23.8	Very low	26.6	Very low	96 Å²	96	124.5 Å²	124.5	67%	0.671	74%	0.737	S	S	*	*			trans	-164.5	123.2	164.3	-78.9	0	0	0	0	108
1507	S	23.6	Very low	26.4	Very low	111 Å²	111	127.5 Å²	127.5	78%	0.776	74%	0.743	S	S	*	*			cis	-145.4	146	7.6	-47.7	0	0	0	0	111.8
1508	S	24.7	Very low	26.3	Very low	115 Å²	115	124.3 Å²	124.3	80%	0.804	73%	0.733	S	S	*	*			trans	-56.5	144.2	144.4	-52.4	0	0	0	0	107.9
1509	S	23.8	Very low	25.5	Very low	91 Å²	91	128.3 Å²	128.3	64%	0.636	74%	0.738	S	S	*	*				175.5	159.3	89.2	63.6	0	0	0	0	107.2
1510	I	23.5	Very low	24.9	Very low	155 Å²	155	127.8 Å²	127.8	80%	0.795	73%	0.728	S	S	*	*				37.1	94.5	70.9	-49.3	178.2	0	0	0	113.3
1511	I	23	Very low	24.6	Very low	139 Å²	139	132.3 Å²	132.3	71%	0.713	74%	0.74	S	S	*	*			trans	-175.1	118.4	138.3	-94	148	0	0	0	107.6
1512	P	27	Very low	24.3	Very low	126 Å²	126	132.4 Å²	132.4	82%	0.818	74%	0.741	S	S	*	*			trans	-93.9	131.7	155.6	34	-26.6	0	0	0	109.5
1513	S	23.6	Very low	24.2	Very low	107 Å²	107	129.9 Å²	129.9	75%	0.748	73%	0.734	S	S	*	*			trans	-157.5	122	159.7	56	0	0	0	0	110.5
1514	N	25.8	Very low	24.2	Very low	140 Å²	140	127.8 Å²	127.8	75%	0.749	73%	0.731	S	S	*	*			trans	-94.2	174.6	162.9	-164.1	7.9	0	0	0	108.5
1515	M	25	Very low	24.2	Very low	138 Å²	138	126.8 Å²	126.8	68%	0.68	73%	0.733	S	S	*	*			trans	74	99.8	172.7	-50.4	-56.2	179.9	0	0	117.5	N1517	M1515-N1517 PolarHBondContact O-N 3.26Å
1516	D	24.2	Very low	24.1	Very low	170 Å²	170	124.2 Å²	124.2	91%	0.909	73%	0.727	S	S	*	*				-65.8	103.7	124.2	-75.9	-62.9	0	0	0	108.5
1517	N	23.8	Very low	24.2	Very low	141 Å²	141	126.3 Å²	126.3	75%	0.754	73%	0.729	S	S	*	*			trans	-164.4	145.8	153.5	-116.1	-16	0	0	0	110.7	M1515	M1515-N1517 PolarHBondContact O-N 3.26Å
1518	P	25.1	Very low	24.3	Very low	100 Å²	100	127.8 Å²	127.8	65%	0.649	73%	0.729	S	S	*	*			trans	-91.2	165.1	-174.8	37.9	-36.5	0	0	0	113.1
1519	I	21.7	Very low	24.5	Very low	146 Å²	146	128.6 Å²	128.6	75%	0.749	72%	0.718	S	S	*	*			trans	79.8	115.9	153.6	-68.5	154.7	0	0	0	117.9
1520	N	22.2	Very low	24.6	Very low	129 Å²	129	127.9 Å²	127.9	69%	0.69	71%	0.706	S	S	*	*			trans	86.2	109.8	142.5	-77.5	5.6	0	0	0	124.4
1521	I	22.2	Very low	24.9	Very low	137 Å²	137	124.6 Å²	124.6	70%	0.703	69%	0.688	S	S	*	*				76.5	121.7	109.1	-73.6	174.3	0	0	0	120.4
1522	V	23	Very low	25.1	Very low	125 Å²	125	120 Å²	120	76%	0.758	66%	0.664	S	S	*	*			trans	70.2	147.6	147.3	162.4	0	0	0	0	118
1523	S	23.3	Very low	25	Very low	87 Å²	87	116.2 Å²	116.2	61%	0.608	64%	0.637	S	S	*	*			cis	-173.3	-173.8	-24.5	-86.6	0	0	0	0	107.6
1524	S	24.7	Very low	25.1	Very low	84 Å²	84	114.5 Å²	114.5	59%	0.587	62%	0.619	S	S	*	*			trans	63.1	109.1	138.2	58.1	0	0	0	0	117.1
1525	E	25.1	Very low	25	Very low	184 Å²	184	111 Å²	111	86%	0.86	60%	0.6	S	S	*	*				78.9	149.7	94.8	-74.6	168.2	161.3	0	0	113.1
1526	S	26.3	Very low	24.9	Very low	88 Å²	88	108.1 Å²	108.1	62%	0.615	59%	0.59	S	S	*	*			cis	-169.1	-159.1	-13.4	53.6	0	0	0	0	107.1
1527	I	25.7	Very low	25.3	Very low	140 Å²	140	101.4 Å²	101.4	72%	0.718	56%	0.557	S	S	*	*			trans	71	101.9	164.9	-64.6	154.3	0	0	0	112.9
1528	N	26.9	Very low	25.6	Very low	142 Å²	142	98.7 Å²	98.7	76%	0.759	55%	0.547	S	S	*	.				81.3	143	59.8	-80.1	-28.7	0	0	0	113.8
1529	K	29.1	Very low	25.6	Very low	132 Å²	132	97.1 Å²	97.1	57%	0.574	53%	0.533	S	S	*	.			trans	68.7	136.5	169.4	-63.9	-168.6	147.4	-136	0	114.7	T408	T408-K1529 CarbonylContact C-O 3.58Å; T408-K1529 CarbonylContact O-C 3.54Å; T408-K1529 VanDerWaalsContact O-C 3.25Å
1530	L	26.2	Very low	25.9	Very low	76 Å²	76	93.1 Å²	93.1	40%	0.398	52%	0.522	S	S	.	.			cis	-165	-142.3	-8.5	-113.6	166.1	0	0	0	108.5	Q406 Q407 T408	Q406-L1530 HydrophobicContact CB-CB 4.16Å; Q406-L1530 HydrophobicContact CB-CD1 3.74Å; Q406-L1530 WeakPolarHBondContact O-CB 3.47Å; Q407-L1530 PolarHBondContact O-N 3.07Å; T408-L1530 PolarHBondContact O-N 2.97Å
1531	E	28.1	Very low	26.2	Very low	86 Å²	86	90 Å²	90	40%	0.402	51%	0.51	S	S	.	.	B	Isolated β-bridge	trans	-64.5	-162	168.7	-44	116.8	45.3	0	0	113.1	Q405 Q406 Q407 T408	Q405-E1531 VanDerWaalsContact C-OE1 3.25Å; Q405-E1531 PolarHBondContact N-OE1 3.25Å; Q406-E1531 CarbonylContact O-C 3.5Å; Q406-E1531 VanDerWaalsContact O-C 3.22Å; Q406-E1531 WeakPolarHBondContact O-CA 3.37Å; Q406-E1531 WeakPolarHBondContact O-CB 3.4Å; Q406-E1531 PolarHBondContact O-N 3.41Å; Q407-E1531 CarbonylContact C-O 3.59Å; Q407-E1531 VanDerWaalsContact C-O 3.22Å; Q407-E1531 WeakPolarHBondContact CA-O 3.4Å; Q407-E1531 PolarHBondContact N-O 2.84Å; T408-E1531 PolarHBondContact N-O 2.91Å
1532	I	28.2	Very low	26.6	Very low	41 Å²	41	86.8 Å²	86.8	21%	0.21	49%	0.489	C	S	.	.				-148.3	126.1	60.8	-118.9	169.9	0	0	0	111.2	N399 Q406 Q407 L1089 D1090	N399-I1532 HydrophobicContact CB-CD1 3.53Å; N399-I1532 HydrophobicContact CB-CG1 3.78Å; N399-I1532 HydrophobicContact CB-CG2 3.9Å; N399-I1532 VanDerWaalsContact OD1-CD1 3.31Å; N399-I1532 WeakPolarHBondContact OD1-CD1 3.24Å; Q406-I1532 VanDerWaalsContact CA-CD1 3.41Å; Q406-I1532 WeakPolarHBondContact O-CG1 3.13Å; Q407-I1532 HydrophobicContact CB-CD1 4.48Å; L1089-I1532 WeakPolarHBondContact O-CD1 3.44Å; D1090-I1532 WeakPolarHBondContact O-CG2 3.44Å
1533	L	25.8	Very low	26.8	Very low	48 Å²	48	83.4 Å²	83.4	25%	0.251	47%	0.469	S	S	.	.				25.5	111.7	124.7	-51	-178.2	0	0	0	116.6	N399	N399-L1533 HydrophobicContact CB-CB 4.01Å; N399-L1533 HydrophobicContact CB-CD1 4.06Å
1534	N	25.5	Very low	27	Very low	70 Å²	70	84.5 Å²	84.5	37%	0.374	47%	0.468	S	S	.	.				108.7	145	92.7	-85.1	-9	0	0	0	111.3	S395 E396 E397 N398	S395-N1534 CarbonylContact C-O 3.47Å; S395-N1534 VanDerWaalsContact C-O 3.22Å; S395-N1534 CarbonylContact O-C 3.58Å; S395-N1534 VanDerWaalsContact O-C 3.32Å; S395-N1534 VanDerWaalsContact O-O 3.08Å; E396-N1534 CarbonylContact C-O 3.48Å; E396-N1534 VanDerWaalsContact C-O 3.28Å; E396-N1534 VanDerWaalsContact CA-O 3.25Å; E396-N1534 WeakPolarHBondContact CA-O 3.31Å; E396-N1534 PolarHBondContact N-O 3.26Å; E397-N1534 VanDerWaalsContact N-C 3.34Å; E397-N1534 PolarHBondContact N-O 3.46Å; N398-N1534 WeakPolarHBondContact O-CB 3.29Å; N398-N1534 PolarHBondContact O-ND2 2.16Å
1535	L	23.9	Very low	26.9	Very low	66 Å²	66	88.2 Å²	88.2	35%	0.346	48%	0.478	S	S	.	.				87.6	167.1	94.6	-47.9	178.8	0	0	0	120.1	N394 S395 E396 E397	N394-L1535 HydrophobicContact CB-CB 3.84Å; N394-L1535 HydrophobicContact CB-CD2 3.45Å; N394-L1535 VanDerWaalsContact CB-CD2 3.45Å; N394-L1535 HydrophobicContact CB-CG 4.09Å; N394-L1535 VanDerWaalsContact CG-CB 3.47Å; N394-L1535 VanDerWaalsContact ND2-CB 3.34Å; N394-L1535 WeakPolarHBondContact ND2-CB 3.38Å; N394-L1535 WeakPolarHBondContact ND2-CD2 3.15Å; N394-L1535 WeakPolarHBondContact ND2-CG 3.43Å; S395-L1535 CarbonylContact C-O 3.42Å; S395-L1535 WeakPolarHBondContact CA-O 3.46Å; S395-L1535 VanDerWaalsContact CB-O 3.31Å; S395-L1535 WeakPolarHBondContact CB-O 3.38Å; S395-L1535 PolarHBondContact N-O 2.87Å; S395-L1535 PolarHBondContact O-N 2.67Å; S395-L1535 PolarHBondContact OG-O 3.12Å; E396-L1535 CarbonylContact C-O 3.6Å; E396-L1535 WeakPolarHBondContact CA-O 3.37Å; E396-L1535 PolarHBondContact N-O 2.75Å; E396-L1535 CarbonylContact O-C 3.25Å; E397-L1535 PolarHBondContact N-O 3.17Å; E397-L1535 CarbonylContact O-C 3.22Å; E397-L1535 WeakPolarHBondContact O-CA 3.41Å; E397-L1535 VanDerWaalsContact O-CB 3.28Å; E397-L1535 WeakPolarHBondContact O-CB 3.41Å
1536	T	22.6	Very low	27.3	Very low	78 Å²	78	84.4 Å²	84.4	48%	0.479	47%	0.472	S	S	.	.			trans	67.4	35.9	179.3	75.2	0	0	0	0	124.7	N394 S395 E396 E397	N394-T1536 WeakPolarHBondContact OD1-CA 3.32Å; N394-T1536 PolarHBondContact OD1-N 3.23Å; S395-T1536 VanDerWaalsContact N-N 3.19Å; S395-T1536 PolarHBondContact OG-O 2.73Å; E396-T1536 PolarHBondContact O-OG1 3.03Å; E397-T1536 WeakPolarHBondContact O-CG2 3.27Å; E397-T1536 PolarHBondContact O-N 2.75Å; E397-T1536 PolarHBondContact O-OG1 3.45Å; E397-T1536 VanDerWaalsContact O-OG1 3.13Å
1537	S	32.7	Very low	27.3	Very low	30 Å²	30	85.9 Å²	85.9	21%	0.21	48%	0.481	C	S	.	.			trans	-71.6	157.6	-177	60.2	0	0	0	0	113.8	T392 N394 S395	T392-S1537 WeakPolarHBondContact CA-O 3.31Å; T392-S1537 VanDerWaalsContact CG2-O 3.26Å; T392-S1537 WeakPolarHBondContact CG2-O 3.44Å; T392-S1537 PolarHBondContact N-O 3.2Å; N394-S1537 WeakPolarHBondContact CA-OG 3.47Å; N394-S1537 PolarHBondContact N-OG 2.69Å; S395-S1537 VanDerWaalsContact CB-CA 3.48Å; S395-S1537 WeakPolarHBondContact OG-CA 3.48Å; S395-S1537 PolarHBondContact OG-N 2.69Å
1538	P	29.5	Very low	27.7	Very low	83 Å²	83	86.3 Å²	86.3	54%	0.539	49%	0.485	S	S	.	.			trans	-149.2	169	156.3	42.5	-26.9	0	0	0	119.1	D391	D391-P1538 HydrophobicContact CB-CB 4.31Å; D391-P1538 WeakPolarHBondContact OD1-CB 3.35Å
1539	N	25.4	Very low	28.2	Very low	68 Å²	68	84.8 Å²	84.8	36%	0.364	48%	0.482	S	S	.	.			trans	76.6	153.8	137.7	-70.1	-7	0	0	0	124.8	E390 D391	E390-N1539 VanDerWaalsContact C-OD1 3.3Å; E390-N1539 WeakPolarHBondContact CA-OD1 3.2Å; E390-N1539 VanDerWaalsContact CD-CG 3.49Å; E390-N1539 PolarHBondContact OE1-ND2 3.2Å; E390-N1539 PolarHBondContact OE1-OD1 2.79Å; E390-N1539 VanDerWaalsContact OE1-OD1 3.08Å; E390-N1539 PolarHBondContact OE2-ND2 2.92Å; D391-N1539 WeakPolarHBondContact CA-OD1 3.16Å; D391-N1539 VanDerWaalsContact CG-ND2 3.35Å; D391-N1539 PolarHBondContact N-OD1 3.18Å; D391-N1539 PolarHBondContact OD1-ND2 3.47Å; D391-N1539 VanDerWaalsContact OD2-CG 3.28Å; D391-N1539 PolarHBondContact OD2-ND2 2.85Å; D391-N1539 PolarHBondContact OD2-OD1 3.39Å
1540	A	27.2	Very low	28.4	Very low	62 Å²	62	83.3 Å²	83.3	51%	0.512	49%	0.489	S	S	.	.			trans	64.5	116.5	151.5	0	0	0	0	0	119	L388 S389	L388-A1540 HydrophobicContact CD2-CB 4.15Å; S389-A1540 VanDerWaalsContact CB-N 3.33Å; S389-A1540 WeakPolarHBondContact OG-CA 3.45Å; S389-A1540 PolarHBondContact OG-N 3.29Å
1541	S	28.4	Very low	28.8	Very low	62 Å²	62	84.9 Å²	84.9	43%	0.434	50%	0.503	S	S	.	.			cis	63.5	150.2	48.3	96.4	0	0	0	0	112.7	L388 S389	L388-S1541 WeakPolarHBondContact CA-OG 3.48Å; L388-S1541 PolarHBondContact N-OG 2.92Å; S389-S1541 PolarHBondContact OG-OG 3.19Å
1542	Y	30.5	Very low	28.7	Very low	70 Å²	70	82.5 Å²	82.5	28%	0.275	50%	0.502	S	S	.	.				-170.7	146	52.7	-155.1	-65.4	0	0	0	107.2	L294 K295 P386 N387 L388	L294-Y1542 CarbonylContact C-O 3.24Å; L294-Y1542 VanDerWaalsContact C-O 3.26Å; L294-Y1542 CarbonylContact O-C 3.06Å; K295-Y1542 PolarHBondContact N-O 2.87Å; P386-Y1542 HydrophobicContact CB-CE1 3.64Å; P386-Y1542 VanDerWaalsContact CB-OH 3.29Å; P386-Y1542 WeakPolarHBondContact CB-OH 3.43Å; P386-Y1542 HydrophobicContact CG-CE1 4.4Å; P386-Y1542 WeakPolarHBondContact CG-OH 3.27Å; P386-Y1542 WeakPolarHBondContact O-CD1 3.42Å; P386-Y1542 WeakPolarHBondContact O-CE1 3.39Å; N387-Y1542 HydrophobicContact CB-CD1 2.31Å; N387-Y1542 HydrophobicContact CB-CD2 2.3Å; N387-Y1542 HydrophobicContact CB-CE1 2.3Å; N387-Y1542 HydrophobicContact CB-CE2 2.31Å; N387-Y1542 HydrophobicContact CB-CG 2.32Å; N387-Y1542 WeakPolarHBondContact CB-OH 3.49Å; N387-Y1542 VanDerWaalsContact CG-CG 3.49Å; N387-Y1542 VanDerWaalsContact N-CE2 3.3Å; N387-Y1542 PolarHBondContact N-OH 2.87Å; N387-Y1542 WeakPolarHBondContact ND2-CE1 3.16Å; N387-Y1542 PolarHBondContact ND2-OH 3.38Å; N387-Y1542 WeakPolarHBondContact O-CE2 3.12Å; N387-Y1542 VanDerWaalsContact OD1-CD1 3.23Å; N387-Y1542 WeakPolarHBondContact OD1-CD1 3.41Å; N387-Y1542 WeakPolarHBondContact OD1-CE1 3.39Å; L388-Y1542 HydrophobicContact CB-CD2 4.27Å; L388-Y1542 HydrophobicContact CB-CE2 4.39Å; L388-Y1542 HydrophobicContact CD1-CE2 4.27Å; L388-Y1542 HydrophobicContact CD2-CD2 3.79Å; L388-Y1542 HydrophobicContact CD2-CE2 4.31Å; L388-Y1542 HydrophobicContact CG-CD2 3.6Å; L388-Y1542 HydrophobicContact CG-CE2 3.63Å
1543	T	27.2	Very low	28.8	Very low	54 Å²	54	86.4 Å²	86.4	33%	0.331	52%	0.522	S	S	.	.			trans	53.2	154.1	179.3	75.6	0	0	0	0	119.3	L294	L294-T1543 PolarHBondContact O-OG1 2.9Å
1544	N	28	Very low	29	Very low	111 Å²	111	87.4 Å²	87.4	59%	0.594	53%	0.525	S	S	*	.			cis	-156	173	-14.1	-115.1	-16	0	0	0	111.5
1545	M	22.8	Very low	29.1	Very low	162 Å²	162	88.9 Å²	88.9	80%	0.798	53%	0.533	S	S	*	.			trans	8.2	134.5	143.4	-49.8	-81.3	103.8	0	0	116.6
1546	S	32.7	Very low	29.2	Very low	103 Å²	103	91 Å²	91	72%	0.72	55%	0.554	S	S	*	*				171.8	161.4	57.3	-166.1	0	0	0	0	111.6
1547	C	26.6	Very low	29.3	Very low	120 Å²	120	91.7 Å²	91.7	81%	0.811	56%	0.562	S	S	*	*			trans	51.4	162.5	144.8	-83	0	0	0	0	125.3
1548	N	34.6	Very low	29.2	Very low	149 Å²	149	95.2 Å²	95.2	80%	0.797	59%	0.587	S	S	*	*			trans	-43.1	164.9	146.7	-104.4	-52.6	0	0	0	112.8
1549	P	37	Very low	29.1	Very low	110 Å²	110	97.4 Å²	97.4	71%	0.714	60%	0.598	S	S	*	*			cis	-145.9	-168.7	24.7	30.6	-4	0	0	0	116.3
1550	S	34.1	Very low	29.1	Very low	101 Å²	101	96.6 Å²	96.6	71%	0.706	60%	0.601	S	S	*	*			trans	-46.6	151.5	141.3	-77.4	0	0	0	0	111.8
1551	P	34.3	Very low	29.3	Very low	108 Å²	108	98.7 Å²	98.7	70%	0.701	60%	0.603	S	S	*	*				-141.8	-133	59.4	31.1	-6.1	0	0	0	114.1
1552	G	24.8	Very low	29.3	Very low	37 Å²	37	100.2 Å²	100.2	38%	0.381	61%	0.606	S	S	.	*				104.9	71.3	78.7	0	0	0	0	0	107.3
1553	I	31.3	Very low	29.2	Very low	123 Å²	123	102.7 Å²	102.7	63%	0.631	62%	0.624	S	S	*	*				51.8	117.3	61.2	-51.3	164.6	0	0	0	109.5	K280	K280-I1553 HydrophobicContact CD-CG2 4.22Å; K280-I1553 HydrophobicContact CG-CG2 3.64Å
1554	H	29.3	Very low	29.2	Very low	68 Å²	68	105.2 Å²	105.2	32%	0.315	64%	0.642	S	S	.	*			trans	108	147.5	-163.5	-77.9	-108.9	0	0	0	110.1	K280 E282	K280-H1554 WeakPolarHBondContact CD-NE2 3.46Å; K280-H1554 WeakPolarHBondContact CE-CD2 3.16Å; K280-H1554 VanDerWaalsContact CE-NE2 3.3Å; K280-H1554 WeakPolarHBondContact CE-NE2 3.46Å; K280-H1554 VanDerWaalsContact CG-NE2 3.28Å; K280-H1554 WeakPolarHBondContact CG-NE2 3.36Å; K280-H1554 PolarHBondContact NZ-CD2 2.96Å; K280-H1554 PolarHBondContact NZ-CE1 3.3Å; K280-H1554 PolarHBondContact NZ-ND1 3Å; K280-H1554 PolarHBondContact NZ-NE2 2.82Å; K280-H1554 PolarHBondContact O-NE2 2.94Å; E282-H1554 VanDerWaalsContact CD-CB 3.48Å; E282-H1554 WeakPolarHBondContact OE1-CB 3.45Å; E282-H1554 IonicContact OE1-CG 2.76Å; E282-H1554 WeakPolarHBondContact OE2-CB 3.5Å; E282-H1554 IonicContact OE2-CD2 2.93Å; E282-H1554 PolarHBondContact OE2-CD2 2.9Å; E282-H1554 IonicContact OE2-CE1 3.3Å; E282-H1554 IonicContact OE2-CG 3.98Å; E282-H1554 IonicContact OE2-ND1 2.9Å; E282-H1554 PolarHBondContact OE2-ND1 2.87Å; E282-H1554 IonicContact OE2-NE2 2.72Å
1555	D	27.9	Very low	29.1	Very low	101 Å²	101	104.5 Å²	104.5	54%	0.54	65%	0.646	S	S	.	*			cis	-139.4	-151.2	-9.3	-132.5	-3.7	0	0	0	116.7	K280	K280-D1555 IonicContact NZ-OD1 3.3Å; K280-D1555 PolarHBondContact NZ-OD1 3.08Å
1556	S	26.5	Very low	29.3	Very low	112 Å²	112	106.7 Å²	106.7	78%	0.783	65%	0.646	S	S	*	*			trans	63.5	77.2	170.6	-54.3	0	0	0	0	113.1
1557	S	24.7	Very low	29	Very low	92 Å²	92	108.5 Å²	108.5	64%	0.643	65%	0.647	S	S	*	*			cis	66.4	52.9	28.5	95.4	0	0	0	0	115.4
1558	S	29.6	Very low	29	Very low	104 Å²	104	107 Å²	107	73%	0.727	64%	0.638	S	S	*	*			trans	-137.2	126.8	145.6	-79.2	0	0	0	0	106
1559	T	28.2	Very low	28.6	Very low	128 Å²	128	103.1 Å²	103.1	79%	0.785	62%	0.623	S	S	*	*				47.1	128.7	70.2	68.8	0	0	0	0	111.9
1560	A	26.4	Very low	28.3	Very low	52 Å²	52	106 Å²	106	43%	0.43	62%	0.624	S	S	.	*			cis	170.7	143	-11.8	0	0	0	0	0	101.3
1561	L	30.2	Very low	27.9	Very low	106 Å²	106	108.9 Å²	108.9	56%	0.555	62%	0.619	S	S	*	*			trans	64.7	168.7	168.5	-57	147.4	0	0	0	113.2	A426 N427 D428	A426-L1561 CarbonylContact O-C 3.54Å; N427-L1561 WeakPolarHBondContact O-CB 3.44Å; D428-L1561 WeakPolarHBondContact O-CD1 3.18Å
1562	D	28	Very low	27.5	Very low	93 Å²	93	105.6 Å²	105.6	50%	0.497	60%	0.599	S	S	.	*			cis	-140.6	-170.1	-2.5	-147.9	-8.6	0	0	0	113.1	A426	A426-D1562 PolarHBondContact O-N 2.9Å
1563	L	29.3	Very low	27.7	Very low	123 Å²	123	110.2 Å²	110.2	64%	0.644	61%	0.609	S	S	*	*			trans	54.5	92.4	144	-72.8	168	0	0	0	117.7
1564	C	26.9	Very low	27.7	Very low	106 Å²	106	110 Å²	110	72%	0.716	61%	0.608	S	S	*	*				73.9	146.3	115.8	-78.7	0	0	0	0	120.7
1565	S	26	Very low	27.8	Very low	97 Å²	97	110.6 Å²	110.6	68%	0.678	62%	0.618	S	S	*	*			trans	70.7	142.4	145.6	-74.3	0	0	0	0	118.3
1566	R	27.6	Very low	27.8	Very low	207 Å²	207	110.4 Å²	110.4	78%	0.781	63%	0.625	S	S	*	*			cis	-164.6	155.6	-21	-127.2	169.7	-175.8	171	1	105.7
1567	N	26.3	Very low	27.8	Very low	142 Å²	142	110 Å²	110	76%	0.759	62%	0.621	S	S	*	*			trans	66.1	152.7	156.6	-66.7	-18.9	0	0	0	116.4
1568	S	25.5	Very low	27.8	Very low	87 Å²	87	110.9 Å²	110.9	61%	0.608	63%	0.627	S	S	*	*			cis	-157.2	146.8	-20.5	50.3	0	0	0	0	112
1569	S	27.7	Very low	27.7	Very low	69 Å²	69	110.7 Å²	110.7	48%	0.483	63%	0.625	S	S	.	*				37.2	148.5	117.4	-44.2	0	0	0	0	120.2
1570	K	29.2	Very low	27.8	Very low	171 Å²	171	110.2 Å²	110.2	74%	0.743	62%	0.622	S	S	*	*			cis	-112.5	119.1	19.8	-79.2	77.2	178.8	-171.9	0	113.2	R2281	K1570-R2281 PolarHBondContact O-NH2 2.98Å
1571	R	25.8	Very low	27.9	Very low	160 Å²	160	115.9 Å²	115.9	60%	0.604	64%	0.64	S	S	*	*				62.9	159.3	53.4	-162.4	-164.9	-172.4	-127.3	10.7	111.9	R2281	R1571-R2281 PolarHBondContact O-NH1 3.35Å
1572	S	26.7	Very low	28	Very low	39 Å²	39	119.3 Å²	119.3	27%	0.273	65%	0.653	S	S	.	*			trans	75.1	128.7	156.4	41.5	0	0	0	0	118.3	R2281	S1572-R2281 PolarHBondContact O-NH1 3.4Å
1573	F	27.9	Very low	28.2	Very low	134 Å²	134	119.5 Å²	119.5	59%	0.588	66%	0.659	S	S	*	*			cis	-121.8	169	-16.1	-68.1	-80	0	0	0	108.3	F2283	F1573-F2283 WeakPolarHBondContact O-CE2 3.46Å
1574	I	31.3	Very low	28.2	Very low	118 Å²	118	118.6 Å²	118.6	61%	0.605	66%	0.662	S	S	*	*			cis	59.9	148	34.9	-34.2	174.7	0	0	0	110.3	F2283	I1574-F2283 VanDerWaalsContact N-CZ 3.28Å; I1574-F2283 WeakPolarHBondContact O-CE2 3.45Å; I1574-F2283 WeakPolarHBondContact O-CZ 3.29Å
1575	P	31.7	Very low	28.3	Very low	81 Å²	81	118.5 Å²	118.5	53%	0.526	66%	0.658	S	S	.	*			cis	-136.6	-174.9	18.8	34.1	-9.2	0	0	0	117.4
1576	S	28	Very low	28.4	Very low	98 Å²	98	122 Å²	122	69%	0.685	66%	0.662	S	S	*	*			trans	58.4	147.6	138.1	54.8	0	0	0	0	122.7
1577	S	26.2	Very low	28.5	Very low	102 Å²	102	116.2 Å²	116.2	71%	0.713	65%	0.653	S	S	*	*			cis	-170.8	173.3	-11.5	49.4	0	0	0	0	112.4
1578	C	26.4	Very low	28.7	Very low	112 Å²	112	118.3 Å²	118.3	76%	0.757	65%	0.65	S	S	*	*			trans	62	106.8	143.5	-74.4	0	0	0	0	122
1579	S	27.7	Very low	29	Very low	99 Å²	99	120.6 Å²	120.6	69%	0.692	65%	0.645	S	S	*	*				129.9	104.6	100.2	-76.4	0	0	0	0	118.5
1580	T	28.7	Very low	28.9	Very low	119 Å²	119	122.4 Å²	122.4	73%	0.73	66%	0.658	S	S	*	*				57.9	148.6	117.9	-17.3	0	0	0	0	122.9
1581	E	28.9	Very low	28.8	Very low	170 Å²	170	119.1 Å²	119.1	79%	0.794	64%	0.644	S	S	*	*			trans	82	107.2	158.3	-51.9	-163.7	-178.3	0	0	120
1582	Q	33	Very low	28.7	Very low	179 Å²	179	118.8 Å²	118.8	84%	0.836	65%	0.649	S	S	*	*				39.2	160.3	107.6	-76.5	-159.6	32	0	0	121.1
1583	P	31.5	Very low	28.8	Very low	96 Å²	96	120.6 Å²	120.6	62%	0.623	66%	0.661	S	S	*	*			cis	-140.2	-166.3	-22.4	34.4	-12.2	0	0	0	113.9
1584	C	29.1	Very low	28.7	Very low	104 Å²	104	119.8 Å²	119.8	70%	0.703	66%	0.662	S	S	*	*			trans	52.6	117.7	138.4	-77.8	0	0	0	0	123.7
1585	T	28.3	Very low	28.4	Very low	105 Å²	105	118.9 Å²	118.9	64%	0.644	66%	0.662	S	S	*	*				85.7	137.1	124.1	63.9	0	0	0	0	122.8
1586	K	28.7	Very low	28	Very low	171 Å²	171	120.7 Å²	120.7	74%	0.743	67%	0.666	S	S	*	*			trans	68.7	122.7	150.6	-67.3	154.8	-171.8	172.5	0	114.8
1587	S	29.6	Very low	27.9	Very low	85 Å²	85	121.7 Å²	121.7	59%	0.594	66%	0.664	S	S	*	*				62.1	141.5	57.5	95	0	0	0	0	111.8
1588	R	31.8	Very low	28.2	Very low	185 Å²	185	122.3 Å²	122.3	70%	0.698	66%	0.66	S	S	*	*			cis	-176.3	169.6	21.8	-147.3	170.5	170.8	-168.3	1.2	107.5
1589	R	31.3	Very low	28.7	Very low	136 Å²	136	119 Å²	119	51%	0.513	64%	0.637	S	S	.	*			trans	63.4	-179	157.2	-76.2	149.9	174.4	-158.1	-9.4	112.9	F1591	R1589-F1591 HydrophobicContact CB-CD2 3.88Å; R1589-F1591 HydrophobicContact CB-CE2 3.91Å; R1589-F1591 HydrophobicContact CB-CG 4.38Å; R1589-F1591 HydrophobicContact CB-CZ 4.43Å; R1589-F1591 VanDerWaalsContact CD-CE2 3.49Å; R1589-F1591 HydrophobicContact CG-CD1 4.23Å; R1589-F1591 HydrophobicContact CG-CD2 4Å; R1589-F1591 HydrophobicContact CG-CE1 3.95Å; R1589-F1591 HydrophobicContact CG-CE2 3.72Å; R1589-F1591 HydrophobicContact CG-CG 4.27Å; R1589-F1591 HydrophobicContact CG-CZ 3.73Å; R1589-F1591 VanDerWaalsContact NE-CZ 3.29Å
1590	S	24.1	Very low	29.1	Very low	107 Å²	107	121.5 Å²	121.5	75%	0.748	63%	0.632	S	S	*	*			cis	-80.5	149.7	-6	18.5	0	0	0	0	112.5
1591	F	27.9	Very low	29.1	Very low	102 Å²	102	120.7 Å²	120.7	45%	0.447	62%	0.623	S	S	.	*				62.5	140.3	57.9	-51.4	-54.5	0	0	0	111.8	R1589	R1589-F1591 HydrophobicContact CB-CD2 3.88Å; R1589-F1591 HydrophobicContact CB-CE2 3.91Å; R1589-F1591 HydrophobicContact CB-CG 4.38Å; R1589-F1591 HydrophobicContact CB-CZ 4.43Å; R1589-F1591 VanDerWaalsContact CD-CE2 3.49Å; R1589-F1591 HydrophobicContact CG-CD1 4.23Å; R1589-F1591 HydrophobicContact CG-CD2 4Å; R1589-F1591 HydrophobicContact CG-CE1 3.95Å; R1589-F1591 HydrophobicContact CG-CE2 3.72Å; R1589-F1591 HydrophobicContact CG-CG 4.27Å; R1589-F1591 HydrophobicContact CG-CZ 3.73Å; R1589-F1591 VanDerWaalsContact NE-CZ 3.29Å
1592	Q	23.3	Very low	29.3	Very low	153 Å²	153	119.4 Å²	119.4	72%	0.715	62%	0.616	S	S	*	*			cis	-96.7	154.8	3.5	-140.1	55.9	7.7	0	0	108.3
1593	C	29.1	Very low	29	Very low	76 Å²	76	115.7 Å²	115.7	51%	0.514	61%	0.61	S	S	.	*			cis	58.6	139.9	44.7	-54	0	0	0	0	111.9
1594	D	25.1	Very low	28.8	Very low	117 Å²	117	118.2 Å²	118.2	63%	0.626	62%	0.617	S	S	*	*			cis	-112.2	160	9.1	-80.5	-84.6	0	0	0	112.7
1595	T	25.3	Very low	28.7	Very low	99 Å²	99	118 Å²	118	61%	0.607	62%	0.617	S	S	*	*				57	152	50.6	11.3	0	0	0	0	111.6
1596	I	23.5	Very low	28.7	Very low	119 Å²	119	117 Å²	117	61%	0.61	61%	0.614	S	S	*	*			cis	-146.2	141.9	21.1	-135.8	142.4	0	0	0	109.7
1597	N	25.5	Very low	28.5	Very low	119 Å²	119	114.3 Å²	114.3	64%	0.636	61%	0.607	S	S	*	*			trans	35.1	148.3	141.7	-58.8	-37.5	0	0	0	121.2
1598	N	33.4	Very low	28.2	Very low	116 Å²	116	116.3 Å²	116.3	62%	0.62	61%	0.61	S	S	*	*			cis	58.1	165.9	45.6	-144	19.4	0	0	0	109.9
1599	P	36.7	Very low	28.3	Very low	42 Å²	42	111.1 Å²	111.1	27%	0.273	60%	0.601	S	S	.	*			cis	-131.6	176.5	-6.7	33.5	-10.9	0	0	0	115.1	S708 L709	S708-P1599 VanDerWaalsContact OG-CD 3.26Å; S708-P1599 WeakPolarHBondContact OG-CD 3.27Å; L709-P1599 WeakPolarHBondContact CA-O 3.47Å; L709-P1599 PolarHBondContact N-O 3.27Å
1600	Y	35.4	Very low	27.9	Very low	151 Å²	151	111.6 Å²	111.6	59%	0.592	61%	0.613	S	S	*	*			trans	19.8	145.2	132.2	-63.1	-123.4	0	0	0	120.3	L709	L709-Y1600 VanDerWaalsContact CD2-C 3.46Å; L709-Y1600 WeakPolarHBondContact CD2-O 3.49Å
1601	L	29.2	Very low	27.9	Very low	102 Å²	102	111.9 Å²	111.9	53%	0.534	61%	0.61	S	S	.	*				-177.7	160.7	113.1	-87.4	160.1	0	0	0	108.1	L709 K710	L709-L1601 HydrophobicContact CD2-CB 4.33Å; K710-L1601 PolarHBondContact NZ-O 3.47Å; K710-L1601 VanDerWaalsContact NZ-O 3.14Å
1602	H	33.6	Very low	27.8	Very low	144 Å²	144	113.5 Å²	113.5	67%	0.667	62%	0.624	S	S	*	*			cis	-141.1	-177.3	16	-150.2	-89.5	0	0	0	112.3
1603	S	25.9	Very low	27.9	Very low	101 Å²	101	112.5 Å²	112.5	71%	0.706	63%	0.628	S	S	*	*			trans	-143.3	172.4	177.8	-53.1	0	0	0	0	111.3
1604	I	26.9	Very low	27.6	Very low	148 Å²	148	113.6 Å²	113.6	76%	0.759	64%	0.637	S	S	*	*			trans	169.5	136.3	148.4	-91.8	156.9	0	0	0	116.3
1605	S	27.7	Very low	27.7	Very low	101 Å²	101	113.7 Å²	113.7	71%	0.706	65%	0.645	S	S	*	*			trans	56.5	118.4	147.4	-66.2	0	0	0	0	129.7
1606	S	27.6	Very low	27.8	Very low	82 Å²	82	115.1 Å²	115.1	57%	0.573	65%	0.654	S	S	*	*				79	136.2	110.7	81	0	0	0	0	127
1607	N	25.1	Very low	27.8	Very low	115 Å²	115	114.9 Å²	114.9	62%	0.615	66%	0.658	S	S	*	*				114.3	121.2	127.6	-79.5	-17.8	0	0	0	122.8	M1825	N1607-M1825 PolarHBondContact N-O 2.76Å
1608	I	24.5	Very low	27.8	Very low	128 Å²	128	114.8 Å²	114.8	66%	0.656	66%	0.662	S	S	*	*			trans	81.3	157.9	133.6	-69	171.8	0	0	0	119.2	S1826	I1608-S1826 PolarHBondContact N-OG 3.18Å; I1608-S1826 PolarHBondContact O-OG 3.09Å; I1608-S1826 VanDerWaalsContact O-OG 3.07Å
1609	P	32.5	Very low	27.3	Very low	76 Å²	76	115.4 Å²	115.4	49%	0.494	66%	0.664	S	S	.	*			trans	-137.2	-164.5	-160.2	45.4	-27	0	0	0	117.1
1610	N	23.2	Very low	26.7	Very low	145 Å²	145	119.7 Å²	119.7	78%	0.775	69%	0.685	S	S	*	*			trans	96.6	130.6	148.1	-89.6	9.3	0	0	0	123.4
1611	V	25.3	Very low	26.2	Very low	114 Å²	114	117 Å²	117	69%	0.691	69%	0.688	S	S	*	*			trans	87.3	121.7	131	169.5	0	0	0	0	122.6
1612	N	23.9	Very low	26	Very low	136 Å²	136	119.1 Å²	119.1	73%	0.727	70%	0.698	S	S	*	*			trans	21.9	130.6	145.4	-45.9	-4.3	0	0	0	122.5
1613	T	25.6	Very low	25.5	Very low	131 Å²	131	116.9 Å²	116.9	80%	0.804	70%	0.699	S	S	*	*				-177.6	115.6	112.7	31.4	0	0	0	0	107.6
1614	S	24.2	Very low	25.5	Very low	100 Å²	100	119 Å²	119	70%	0.699	70%	0.703	S	S	*	*				81.9	119.5	62.8	74.8	0	0	0	0	114.7
1615	C	27.4	Very low	25.4	Very low	118 Å²	118	118.2 Å²	118.2	80%	0.797	71%	0.705	S	S	*	*			trans	12.8	144.5	155.3	-46.8	0	0	0	0	120.4
1616	T	25.7	Very low	25.3	Very low	130 Å²	130	119.6 Å²	119.6	80%	0.798	70%	0.703	S	S	*	*				-173.9	134.5	112.7	22.7	0	0	0	0	114.4
1617	T	25.1	Very low	25.2	Very low	113 Å²	113	121.1 Å²	121.1	69%	0.693	71%	0.714	S	S	*	*				60.5	97.2	122.7	-47.9	0	0	0	0	119.6
1618	V	23.9	Very low	25.2	Very low	118 Å²	118	122.4 Å²	122.4	72%	0.715	72%	0.72	S	S	*	*				112.4	151.2	103.7	96.2	0	0	0	0	121.9
1619	L	24.3	Very low	25.4	Very low	129 Å²	129	120.8 Å²	120.8	68%	0.675	72%	0.721	S	S	*	*			trans	63.3	116.3	157.7	-63.1	-176.5	0	0	0	120.5
1620	N	24.1	Very low	25.2	Very low	132 Å²	132	125.3 Å²	125.3	71%	0.706	74%	0.735	S	S	*	*				72.1	149.3	121.8	-63.9	1.2	0	0	0	122.3
1621	S	24.7	Very low	25.3	Very low	94 Å²	94	124.5 Å²	124.5	66%	0.657	73%	0.729	S	S	*	*			trans	84.5	124	137.9	-78	0	0	0	0	120.1
1622	I	24	Very low	25.5	Very low	146 Å²	146	125.6 Å²	125.6	75%	0.749	73%	0.73	S	S	*	*				65.9	89	128.3	-58.5	170.3	0	0	0	113.6
1623	S	24.1	Very low	25.8	Very low	98 Å²	98	126.3 Å²	126.3	69%	0.685	73%	0.73	S	S	*	*				85.7	148.4	84.2	-68.2	0	0	0	0	114
1624	N	25.7	Very low	25.8	Very low	146 Å²	146	126.6 Å²	126.6	78%	0.781	73%	0.731	S	S	*	*			trans	9	108	150.4	-53.2	-11.4	0	0	0	118.2
1625	T	23.8	Very low	26.1	Very low	131 Å²	131	125.1 Å²	125.1	80%	0.804	73%	0.732	S	S	*	*			trans	-171.2	118.1	134.9	15	0	0	0	0	106.8
1626	I	25.9	Very low	26.1	Very low	130 Å²	130	124.9 Å²	124.9	67%	0.667	74%	0.739	S	S	*	*				65.5	95	57.1	-54	171.4	0	0	0	111.8
1627	S	26.3	Very low	26.3	Very low	114 Å²	114	121.9 Å²	121.9	80%	0.797	73%	0.733	S	S	*	*			trans	-162.3	94.3	152.6	-76.8	0	0	0	0	105.9
1628	N	25	Very low	26.5	Very low	142 Å²	142	125 Å²	125	76%	0.759	75%	0.745	S	S	*	*				55.9	119.7	85.2	-61.8	-30.5	0	0	0	110.9
1629	S	28.5	Very low	27.2	Very low	94 Å²	94	129 Å²	129	66%	0.657	75%	0.747	S	S	*	*				-148	135.6	53.4	54.5	0	0	0	0	116.7
1630	Q	27.9	Very low	27.4	Very low	170 Å²	170	128.1 Å²	128.1	79%	0.794	75%	0.749	S	S	*	*			trans	69.5	140.5	139	-62.1	172.1	-1.8	0	0	118.8
1631	I	26	Very low	27.7	Very low	129 Å²	129	125.9 Å²	125.9	66%	0.662	74%	0.74	S	S	*	*			cis	-157.8	135.8	-0.7	-117.2	164.2	0	0	0	110.2
1632	L	30.2	Very low	27.7	Very low	136 Å²	136	127.2 Å²	127.2	71%	0.712	74%	0.744	S	S	*	*			trans	51.5	152.7	155.7	-83.7	73.2	0	0	0	121.1
1633	Q	29.4	Very low	27.7	Very low	152 Å²	152	126.1 Å²	126.1	71%	0.71	74%	0.739	S	S	*	*			cis	-165.3	152.7	-19.7	-130.4	172.3	8	0	0	110.6
1634	T	26.4	Very low	27.7	Very low	136 Å²	136	127.1 Å²	127.1	83%	0.834	74%	0.737	S	S	*	*			trans	49.3	139.8	154.5	49.2	0	0	0	0	122.2
1635	G	29	Very low	27.6	Very low	69 Å²	69	126.4 Å²	126.4	71%	0.711	74%	0.738	S	S	*	*			cis	162.7	162.4	-4.9	0	0	0	0	0	114.2
1636	A	28.7	Very low	27.6	Very low	114 Å²	114	124.4 Å²	124.4	94%	0.942	73%	0.73	S	S	*	*			trans	61.3	148.8	179.6	0	0	0	0	0	116.3
1637	G	29.2	Very low	27.5	Very low	66 Å²	66	123.6 Å²	123.6	68%	0.68	73%	0.731	S	S	*	*			cis	136.9	141.7	2.7	0	0	0	0	0	109.7
1638	L	28.7	Very low	27.4	Very low	179 Å²	179	123.1 Å²	123.1	94%	0.937	72%	0.723	S	S	*	*			cis	-143.8	160.1	8.7	-81.2	167.8	0	0	0	112.1
1639	R	38.9	Very low	27.3	Very low	203 Å²	203	122.2 Å²	122.2	77%	0.766	72%	0.719	S	S	*	*			trans	-86.3	166.8	164.8	-144.3	-175.6	-177.5	-173.6	-0.3	108.7
1640	P	29.2	Very low	27.1	Very low	109 Å²	109	123.5 Å²	123.5	71%	0.708	72%	0.723	S	S	*	*				-137.2	162.1	87.3	42	-29.8	0	0	0	112.5
1641	T	29.8	Very low	27	Very low	85 Å²	85	121.9 Å²	121.9	52%	0.521	72%	0.718	S	S	.	*			cis	61.8	162.8	39.1	41.9	0	0	0	0	115.1
1642	V	25.4	Very low	27	Very low	123 Å²	123	122.6 Å²	122.6	75%	0.745	72%	0.723	S	S	*	*			trans	80	127.7	-172.2	-175.6	0	0	0	0	112.3
1643	N	24.1	Very low	26.9	Very low	122 Å²	122	121.6 Å²	121.6	65%	0.652	72%	0.718	S	S	*	*			cis	-159.3	177.2	-20.6	-113.3	-4.5	0	0	0	110.8
1644	N	23.4	Very low	26.8	Very low	120 Å²	120	121.2 Å²	121.2	64%	0.642	72%	0.721	S	S	*	*			trans	11.6	152.7	140.3	-47.5	-15.1	0	0	0	120.3
1645	T	24.6	Very low	27.1	Very low	131 Å²	131	121.1 Å²	121.1	80%	0.804	72%	0.716	S	S	*	*			trans	61.3	132.6	146.4	46.7	0	0	0	0	117.7
1646	S	23.8	Very low	27	Very low	89 Å²	89	124.9 Å²	124.9	62%	0.622	72%	0.72	S	S	*	*			cis	-176.1	169.7	-2.2	45.3	0	0	0	0	108.6
1647	T	23.3	Very low	27.4	Very low	112 Å²	112	126.2 Å²	126.2	69%	0.687	71%	0.708	S	S	*	*			trans	58.5	144.5	143.9	48.1	0	0	0	0	120.4
1648	T	23.3	Very low	27.8	Very low	105 Å²	105	126 Å²	126	64%	0.644	70%	0.696	S	S	*	*			trans	63.7	116.7	141.3	53.4	0	0	0	0	120.1
1649	N	24	Very low	28	Very low	123 Å²	123	121.7 Å²	121.7	66%	0.658	68%	0.681	S	S	*	*				80	126.1	119.7	-61.9	16.6	0	0	0	119.4
1650	T	24.7	Very low	28.3	Very low	121 Å²	121	119.3 Å²	119.3	74%	0.742	68%	0.679	S	S	*	*				56.8	166.9	110.5	-34.8	0	0	0	0	118.8
1651	I	26.1	Very low	29.2	Very low	136 Å²	136	118.6 Å²	118.6	70%	0.697	67%	0.666	S	S	*	*			trans	77.7	97.4	-177.3	-48	162.6	0	0	0	109.3
1652	N	25.4	Very low	30.2	Very low	144 Å²	144	120 Å²	120	77%	0.77	67%	0.667	S	S	*	*				68.5	165	50.6	-154.7	9	0	0	0	112.7
1653	N	28.7	Very low	31.4	Very low	114 Å²	114	120.4 Å²	120.4	61%	0.61	66%	0.655	S	S	*	*			trans	79.6	93	174.1	-48.5	-17.1	0	0	0	115.8
1654	N	26.5	Very low	33.1	Very low	145 Å²	145	120.4 Å²	120.4	78%	0.775	65%	0.651	S	S	*	*				-8.9	142.2	118.8	-52.1	-11	0	0	0	114.7
1655	N	31.6	Very low	34.7	Very low	134 Å²	134	119.7 Å²	119.7	72%	0.717	65%	0.646	S	S	*	*			trans	-173	107.2	137.1	-103	-59.5	0	0	0	112.9
1656	N	28.4	Very low	36	Very low	148 Å²	148	116.4 Å²	116.4	79%	0.791	62%	0.622	S	S	*	*				42.5	93.7	129.1	-56.2	-22.1	0	0	0	118.5
1657	M	36	Very low	37.5	Very low	141 Å²	141	115.2 Å²	115.2	70%	0.695	61%	0.611	S	S	*	*			trans	-79.9	140.9	145.9	-170.1	167.5	-70.7	0	0	108.5	Q1661	M1657-Q1661 HydrophobicContact CG-CB 4.46Å; M1657-Q1661 HydrophobicContact SD-CG 4.32Å
1658	S	37.6	Very low	38.6	Very low	62 Å²	62	115.2 Å²	115.2	43%	0.434	60%	0.604	S	S	.	*			trans	-73.4	147.8	-160	70.6	0	0	0	0	114.8	Q1660 Q1661 Q1662	S1658-Q1660 PolarHBondContact O-N 2.84Å; S1658-Q1661 PolarHBondContact O-N 2.72Å; S1658-Q1662 PolarHBondContact O-N 2.94Å
1659	S	34.3	Very low	40	Very low	89 Å²	89	117.9 Å²	117.9	62%	0.622	60%	0.604	S	S	*	*	H	α-helix	trans	-59.9	-10.4	178.3	56.2	0	0	0	0	115.1	R1663	S1659-R1663 WeakPolarHBondContact O-CD 3.29Å; S1659-R1663 VanDerWaalsContact O-CG 3.24Å; S1659-R1663 WeakPolarHBondContact O-CG 3.2Å; S1659-R1663 PolarHBondContact O-N 3.33Å
1660	Q	44.2	Very low	41.3	Very low	153 Å²	153	115.8 Å²	115.8	72%	0.715	59%	0.59	S	S	*	*	H	α-helix	trans	-88.7	-35.4	172.3	-153.3	174.8	28.7	0	0	112	S1658 Q1664	S1658-Q1660 PolarHBondContact O-N 2.84Å; Q1660-Q1664 PolarHBondContact O-N 3.02Å; Q1660-Q1664 VanDerWaalsContact O-N 3.12Å
1661	Q	48	Very low	42.4	Very low	93 Å²	93	115.9 Å²	115.9	44%	0.435	58%	0.582	S	S	.	*	H	α-helix	trans	-77.6	-34.5	176.5	-165.3	166.8	4.9	0	0	111.2	M1657 S1658 Q1664 L1665	M1657-Q1661 HydrophobicContact CG-CB 4.46Å; M1657-Q1661 HydrophobicContact SD-CG 4.32Å; S1658-Q1661 PolarHBondContact O-N 2.72Å; Q1661-Q1664 PolarHBondContact O-N 2.84Å; Q1661-L1665 PolarHBondContact O-N 2.82Å
1662	Q	51.4	Low	43.2	Very low	116 Å²	116	112 Å²	112	54%	0.542	57%	0.571	S	S	.	*	H	α-helix	trans	-62.9	-47.3	170.1	-164.4	162.6	-7.9	0	0	111	S1658 Q1664 L1665 Q1666	S1658-Q1662 PolarHBondContact O-N 2.94Å; Q1662-Q1664 PolarHBondContact O-N 3.47Å; Q1662-L1665 CarbonylContact O-C 3.58Å; Q1662-L1665 PolarHBondContact O-N 2.72Å; Q1662-L1665 VanDerWaalsContact O-N 3.08Å; Q1662-Q1666 WeakPolarHBondContact O-CB 3.41Å; Q1662-Q1666 PolarHBondContact O-N 2.9Å
1663	R	50.5	Low	44.2	Very low	131 Å²	131	109.9 Å²	109.9	49%	0.494	56%	0.558	S	S	.	*	H	α-helix	trans	-60.7	-27.7	171.8	-72.4	176.9	-157	-123.7	4.7	113.9	E1391 S1659 T1667	E1391-R1663 IonicContact OE1-CZ 2.69Å; E1391-R1663 IonicContact OE1-NH1 3.78Å; E1391-R1663 PolarHBondContact OE1-NH1 2.97Å; E1391-R1663 IonicContact OE1-NH2 3.57Å; E1391-R1663 PolarHBondContact OE1-NH2 3.15Å; E1391-R1663 VanDerWaalsContact OE1-NH2 3.14Å; E1391-R1663 IonicContact OE2-CZ 2.69Å; E1391-R1663 IonicContact OE2-NH1 3.56Å; E1391-R1663 IonicContact OE2-NH2 3.12Å; E1391-R1663 PolarHBondContact OE2-NH2 3.28Å; S1659-R1663 WeakPolarHBondContact O-CD 3.29Å; S1659-R1663 VanDerWaalsContact O-CG 3.24Å; S1659-R1663 WeakPolarHBondContact O-CG 3.2Å; S1659-R1663 PolarHBondContact O-N 3.33Å; R1663-T1667 WeakPolarHBondContact O-CB 3.28Å; R1663-T1667 WeakPolarHBondContact O-CG2 3.47Å; R1663-T1667 PolarHBondContact O-N 3.25Å; R1663-T1667 PolarHBondContact O-OG1 3.29Å
1664	Q	59.7	Low	44.9	Very low	122 Å²	122	109.4 Å²	109.4	57%	0.57	56%	0.555	S	S	*	*	H	α-helix	trans	-76.2	-33.9	172.7	-80.1	-174.3	-19.4	0	0	113.2	Q1660 Q1661 Q1662 T1667 M1668	Q1660-Q1664 PolarHBondContact O-N 3.02Å; Q1660-Q1664 VanDerWaalsContact O-N 3.12Å; Q1661-Q1664 PolarHBondContact O-N 2.84Å; Q1662-Q1664 PolarHBondContact O-N 3.47Å; Q1664-T1667 WeakPolarHBondContact CA-OG1 3.39Å; Q1664-T1667 PolarHBondContact O-OG1 3.03Å; Q1664-M1668 WeakPolarHBondContact O-CB 3.47Å; Q1664-M1668 WeakPolarHBondContact O-CE 3.3Å; Q1664-M1668 WeakPolarHBondContact O-CG 3.34Å; Q1664-M1668 PolarHBondContact O-N 3.36Å
1665	L	57.8	Low	45.5	Very low	104 Å²	104	110.4 Å²	110.4	55%	0.545	55%	0.553	S	S	.	*	H	α-helix	trans	-72	-39.5	168.2	-97.9	75	0	0	0	111.6	Q1661 Q1662 T1667 M1668 Y1669	Q1661-L1665 PolarHBondContact O-N 2.82Å; Q1662-L1665 CarbonylContact O-C 3.58Å; Q1662-L1665 PolarHBondContact O-N 2.72Å; Q1662-L1665 VanDerWaalsContact O-N 3.08Å; L1665-T1667 PolarHBondContact O-N 3.09Å; L1665-M1668 HydrophobicContact CD1-CE 3.99Å; L1665-M1668 HydrophobicContact CG-CE 4.44Å; L1665-M1668 CarbonylContact O-C 3.56Å; L1665-M1668 PolarHBondContact O-N 3.06Å; L1665-Y1669 WeakPolarHBondContact O-CB 3.48Å; L1665-Y1669 PolarHBondContact O-N 2.85Å
1666	Q	51.9	Low	45.7	Very low	63 Å²	63	107.3 Å²	107.3	29%	0.294	55%	0.545	S	S	.	.	H	α-helix	trans	-56.4	-50.7	173.3	-133	65.5	6	0	0	110.5	E1393 Q1662 M1668 Y1669 E1670	E1393-Q1666 PolarHBondContact OE1-NE2 3.07Å; E1393-Q1666 PolarHBondContact OE2-NE2 3.47Å; Q1662-Q1666 WeakPolarHBondContact O-CB 3.41Å; Q1662-Q1666 PolarHBondContact O-N 2.9Å; Q1666-M1668 PolarHBondContact O-N 3.24Å; Q1666-Y1669 PolarHBondContact O-N 2.91Å; Q1666-E1670 WeakPolarHBondContact O-CB 3.42Å; Q1666-E1670 PolarHBondContact O-N 3.37Å
1667	T	54.3	Low	46	Very low	63 Å²	63	102.9 Å²	102.9	39%	0.387	53%	0.529	S	S	.	.	H	α-helix	trans	-70.7	-29.3	178.1	48.2	0	0	0	0	113.6	R1663 Q1664 L1665 Q1671	R1663-T1667 WeakPolarHBondContact O-CB 3.28Å; R1663-T1667 WeakPolarHBondContact O-CG2 3.47Å; R1663-T1667 PolarHBondContact O-N 3.25Å; R1663-T1667 PolarHBondContact O-OG1 3.29Å; Q1664-T1667 WeakPolarHBondContact CA-OG1 3.39Å; Q1664-T1667 PolarHBondContact O-OG1 3.03Å; L1665-T1667 PolarHBondContact O-N 3.09Å; T1667-Q1671 WeakPolarHBondContact O-CB 3.27Å; T1667-Q1671 WeakPolarHBondContact O-CG 3.14Å; T1667-Q1671 PolarHBondContact O-N 3.12Å; T1667-Q1671 PolarHBondContact O-NE2 2.84Å
1668	M	47.3	Very low	45.9	Very low	112 Å²	112	97.9 Å²	97.9	55%	0.552	51%	0.511	S	S	*	.	H	α-helix	trans	-75	-30.1	170.8	-77	-170.4	-63.9	0	0	113.1	Q1664 L1665 Q1666 A1672	Q1664-M1668 WeakPolarHBondContact O-CB 3.47Å; Q1664-M1668 WeakPolarHBondContact O-CE 3.3Å; Q1664-M1668 WeakPolarHBondContact O-CG 3.34Å; Q1664-M1668 PolarHBondContact O-N 3.36Å; L1665-M1668 HydrophobicContact CD1-CE 3.99Å; L1665-M1668 HydrophobicContact CG-CE 4.44Å; L1665-M1668 CarbonylContact O-C 3.56Å; L1665-M1668 PolarHBondContact O-N 3.06Å; Q1666-M1668 PolarHBondContact O-N 3.24Å; M1668-A1672 VanDerWaalsContact O-CB 3.23Å; M1668-A1672 WeakPolarHBondContact O-CB 3.29Å; M1668-A1672 PolarHBondContact O-N 3.18Å
1669	Y	51	Low	45.5	Very low	162 Å²	162	99.5 Å²	99.5	64%	0.635	53%	0.528	S	S	*	.	H	α-helix	trans	-81.2	-43.5	178.8	-163.9	-107.7	0	0	0	111	L1665 Q1666 Q1671 A1672 L1673	L1665-Y1669 WeakPolarHBondContact O-CB 3.48Å; L1665-Y1669 PolarHBondContact O-N 2.85Å; Q1666-Y1669 PolarHBondContact O-N 2.91Å; Y1669-Q1671 VanDerWaalsContact C-N 3.31Å; Y1669-Q1671 PolarHBondContact O-N 3.46Å; Y1669-A1672 PolarHBondContact O-N 2.86Å; Y1669-L1673 HydrophobicContact CD1-CD1 3.72Å; Y1669-L1673 HydrophobicContact CE1-CD1 3.44Å; Y1669-L1673 VanDerWaalsContact CE1-CD1 3.44Å; Y1669-L1673 WeakPolarHBondContact O-CB 3.25Å; Y1669-L1673 PolarHBondContact O-N 2.97Å
1670	E	52.2	Low	45.5	Very low	79 Å²	79	99.2 Å²	99.2	37%	0.369	53%	0.531	S	S	.	.	H	α-helix	trans	-59.6	-40.1	164.8	-74.6	-161.8	140.7	0	0	110.6	R1396 Q1666 I1674	R1396-E1670 IonicContact CZ-OE1 2.69Å; R1396-E1670 IonicContact NH1-OE1 2.65Å; R1396-E1670 PolarHBondContact NH1-OE1 3.08Å; R1396-E1670 IonicContact NH2-OE1 3.4Å; Q1666-E1670 WeakPolarHBondContact O-CB 3.42Å; Q1666-E1670 PolarHBondContact O-N 3.37Å; E1670-I1674 HydrophobicContact CB-CD1 4.47Å; E1670-I1674 WeakPolarHBondContact O-CA 3.45Å; E1670-I1674 WeakPolarHBondContact O-CB 3.33Å; E1670-I1674 WeakPolarHBondContact O-CD1 3.01Å; E1670-I1674 WeakPolarHBondContact O-CG1 3.29Å; E1670-I1674 PolarHBondContact O-N 3.4Å
1671	Q	48.2	Very low	44.8	Very low	122 Å²	122	94 Å²	94	57%	0.57	52%	0.518	S	S	*	.	H	α-helix	trans	-69.3	-30.9	173.4	-75.4	165.3	35	0	0	113.4	T1667 Y1669 I1674 F1675	T1667-Q1671 WeakPolarHBondContact O-CB 3.27Å; T1667-Q1671 WeakPolarHBondContact O-CG 3.14Å; T1667-Q1671 PolarHBondContact O-N 3.12Å; T1667-Q1671 PolarHBondContact O-NE2 2.84Å; Y1669-Q1671 VanDerWaalsContact C-N 3.31Å; Y1669-Q1671 PolarHBondContact O-N 3.46Å; Q1671-I1674 CarbonylContact O-C 3.58Å; Q1671-F1675 WeakPolarHBondContact O-CB 3.3Å; Q1671-F1675 PolarHBondContact O-N 2.69Å
1672	A	43.3	Very low	43.9	Very low	56 Å²	56	95.5 Å²	95.5	46%	0.463	53%	0.525	S	S	.	.	H	α-helix	trans	-72.6	-42	174.9	0	0	0	0	0	111.8	M1668 Y1669 F1675 A1676	M1668-A1672 VanDerWaalsContact O-CB 3.23Å; M1668-A1672 WeakPolarHBondContact O-CB 3.29Å; M1668-A1672 PolarHBondContact O-N 3.18Å; Y1669-A1672 PolarHBondContact O-N 2.86Å; A1672-F1675 PolarHBondContact O-N 2.82Å; A1672-A1676 WeakPolarHBondContact O-CB 2.9Å; A1672-A1676 PolarHBondContact O-N 3.27Å
1673	L	44.4	Very low	43	Very low	98 Å²	98	98.4 Å²	98.4	51%	0.513	53%	0.532	S	S	.	.	H	α-helix	trans	-65.3	-37.3	169.8	-93.1	145.7	0	0	0	111.6	Y1669 A1677	Y1669-L1673 HydrophobicContact CD1-CD1 3.72Å; Y1669-L1673 HydrophobicContact CE1-CD1 3.44Å; Y1669-L1673 VanDerWaalsContact CE1-CD1 3.44Å; Y1669-L1673 WeakPolarHBondContact O-CB 3.25Å; Y1669-L1673 PolarHBondContact O-N 2.97Å; L1673-A1677 WeakPolarHBondContact O-CB 3.1Å; L1673-A1677 PolarHBondContact O-N 2.87Å
1674	I	43.7	Very low	42.1	Very low	105 Å²	105	98.4 Å²	98.4	54%	0.538	54%	0.538	S	S	.	.	H	α-helix	trans	-73	-25.3	174	-70.9	165.1	0	0	0	111.4	E1670 Q1671 A1677 A1678	E1670-I1674 HydrophobicContact CB-CD1 4.47Å; E1670-I1674 WeakPolarHBondContact O-CA 3.45Å; E1670-I1674 WeakPolarHBondContact O-CB 3.33Å; E1670-I1674 WeakPolarHBondContact O-CD1 3.01Å; E1670-I1674 WeakPolarHBondContact O-CG1 3.29Å; E1670-I1674 PolarHBondContact O-N 3.4Å; Q1671-I1674 CarbonylContact O-C 3.58Å; I1674-A1677 CarbonylContact O-C 3.56Å; I1674-A1678 WeakPolarHBondContact O-CA 3.45Å; I1674-A1678 WeakPolarHBondContact O-CB 2.89Å; I1674-A1678 PolarHBondContact O-N 3.01Å
1675	F	39.3	Very low	41	Very low	166 Å²	166	99.7 Å²	99.7	73%	0.728	54%	0.543	S	S	*	.	H	α-helix	trans	-81.3	-36	171.7	-134.4	-96	0	0	0	112.3	Q1671 A1672 A1677 A1678 A1679	Q1671-F1675 WeakPolarHBondContact O-CB 3.3Å; Q1671-F1675 PolarHBondContact O-N 2.69Å; A1672-F1675 PolarHBondContact O-N 2.82Å; F1675-A1677 VanDerWaalsContact C-N 3.31Å; F1675-A1678 PolarHBondContact O-N 2.89Å; F1675-A1679 PolarHBondContact O-N 2.86Å
1676	A	35.2	Very low	39.7	Very low	68 Å²	68	99.9 Å²	99.9	56%	0.562	55%	0.553	S	S	*	*	H	α-helix	trans	-62.1	-40.5	166.9	0	0	0	0	0	111.1	A1672	A1672-A1676 WeakPolarHBondContact O-CB 2.9Å; A1672-A1676 PolarHBondContact O-N 3.27Å
1677	A	34.9	Very low	38.8	Very low	55 Å²	55	102.5 Å²	102.5	46%	0.455	58%	0.576	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.6	-4	173.9	0	0	0	0	0	114.3	L1673 I1674 F1675 A1680 G1681	L1673-A1677 WeakPolarHBondContact O-CB 3.1Å; L1673-A1677 PolarHBondContact O-N 2.87Å; I1674-A1677 CarbonylContact O-C 3.56Å; F1675-A1677 VanDerWaalsContact C-N 3.31Å; A1677-A1680 CarbonylContact O-C 3.42Å; A1677-A1680 PolarHBondContact O-N 2.95Å; A1677-G1681 PolarHBondContact O-N 2.86Å
1678	A	34.1	Very low	37.5	Very low	37 Å²	37	105.1 Å²	105.1	31%	0.306	59%	0.594	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100.5	-14.4	169.3	0	0	0	0	0	112.5	I1674 F1675	I1674-A1678 WeakPolarHBondContact O-CA 3.45Å; I1674-A1678 WeakPolarHBondContact O-CB 2.89Å; I1674-A1678 PolarHBondContact O-N 3.01Å; F1675-A1678 PolarHBondContact O-N 2.89Å
1679	A	29.5	Very low	36.5	Very low	96 Å²	96	104.4 Å²	104.4	79%	0.793	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	-14.3	149.8	0	0	0	0	0	112.1	F1675	F1675-A1679 PolarHBondContact O-N 2.86Å
1680	A	35.2	Very low	35.4	Very low	83 Å²	83	101.5 Å²	101.5	69%	0.686	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.5	28.1	173.4	0	0	0	0	0	113.3	A1677	A1677-A1680 CarbonylContact O-C 3.42Å; A1677-A1680 PolarHBondContact O-N 2.95Å
1681	G	28.5	Very low	34.1	Very low	43 Å²	43	100.7 Å²	100.7	44%	0.443	60%	0.6	S	S	.	*			trans	-73.5	162.1	-179.8	0	0	0	0	0	113.7	A1677	A1677-G1681 PolarHBondContact O-N 2.86Å
1682	H	29.1	Very low	33.1	Very low	125 Å²	125	97.4 Å²	97.4	58%	0.579	60%	0.599	S	S	*	*			cis	-165.2	149	9.9	-90	-38.9	0	0	0	112.1
1683	Y	32.4	Very low	32.6	Very low	177 Å²	177	97.5 Å²	97.5	69%	0.694	59%	0.594	S	S	*	*			trans	71.6	156.7	137.2	-68.6	-169.4	0	0	0	118.8
1684	Q	32.2	Very low	31.7	Very low	130 Å²	130	94.2 Å²	94.2	61%	0.607	58%	0.577	S	S	*	*			cis	-161.4	160.9	-12.6	-116.8	172.8	-3.5	0	0	112.2
1685	H	36.2	Very low	30.9	Very low	149 Å²	149	94 Å²	94	69%	0.69	57%	0.57	S	S	*	*			trans	57.5	114.6	147.6	-68.5	-52.1	0	0	0	123.6
1686	S	30.7	Very low	30.3	Very low	108 Å²	108	90.2 Å²	90.2	76%	0.755	56%	0.557	S	S	*	*				88.5	145.8	128.8	-58	0	0	0	0	121.3
1687	P	34.2	Very low	30	Very low	119 Å²	119	93 Å²	93	77%	0.773	57%	0.567	S	S	*	*			trans	-91	177.7	-179.1	40.4	-39.3	0	0	0	112.9
1688	P	26.5	Very low	29.6	Very low	118 Å²	118	94.3 Å²	94.3	77%	0.766	57%	0.573	S	S	*	*			cis	-130.4	-168.5	3.1	43.1	-26.3	0	0	0	115.3
1689	V	25.4	Very low	29.1	Very low	96 Å²	96	101 Å²	101	58%	0.582	60%	0.595	S	S	*	*			trans	-14	140.3	150.7	175.5	0	0	0	0	115.8
1690	P	27.4	Very low	28.9	Very low	102 Å²	102	104.1 Å²	104.1	66%	0.662	59%	0.591	S	S	*	*			cis	-137.9	-174	17.8	32.6	-9.5	0	0	0	117.3
1691	S	25.6	Very low	28.4	Very low	62 Å²	62	108.1 Å²	108.1	43%	0.434	59%	0.593	S	S	.	*			trans	66.7	130.7	143.7	58.1	0	0	0	0	122.1	Q1941	S1691-Q1941 PolarHBondContact O-NE2 3.39Å
1692	G	27.8	Very low	28.4	Very low	53 Å²	53	111 Å²	111	55%	0.546	60%	0.604	S	S	.	*			trans	-91.4	-177.5	148.2	0	0	0	0	0	111.6	Q1941	G1692-Q1941 VanDerWaalsContact CA-OE1 3.28Å
1693	P	31.9	Very low	28.1	Very low	57 Å²	57	110.5 Å²	110.5	37%	0.37	61%	0.61	S	S	.	*			cis	-132	-165.7	11.8	30.9	-7.3	0	0	0	114.6	Y1938 Q1941	P1693-Y1938 HydrophobicContact CG-CD2 4.44Å; P1693-Q1941 WeakPolarHBondContact O-CG 3.16Å; P1693-Q1941 PolarHBondContact O-OE1 3.03Å
1694	L	27	Very low	27.7	Very low	29 Å²	29	108.4 Å²	108.4	15%	0.152	61%	0.611	C	S	.	*				134.4	120.9	110.2	-163.8	91.7	0	0	0	120.9	Y1938 Q1942	L1694-Y1938 HydrophobicContact CB-CD2 4.4Å; L1694-Y1938 HydrophobicContact CB-CE2 4.45Å; L1694-Y1938 HydrophobicContact CD1-CD2 4.07Å; L1694-Y1938 HydrophobicContact CD1-CE1 4.41Å; L1694-Y1938 HydrophobicContact CD1-CE2 3.33Å; L1694-Y1938 HydrophobicContact CD2-CD1 3.58Å; L1694-Y1938 HydrophobicContact CD2-CD2 3.95Å; L1694-Y1938 HydrophobicContact CD2-CE1 3.18Å; L1694-Y1938 HydrophobicContact CD2-CE2 3.63Å; L1694-Y1938 HydrophobicContact CD2-CG 3.95Å; L1694-Y1938 HydrophobicContact CG-CD2 4.29Å; L1694-Y1938 HydrophobicContact CG-CE1 4.31Å; L1694-Y1938 HydrophobicContact CG-CE2 3.9Å; L1694-Q1942 HydrophobicContact CD2-CG 4.29Å
1695	R	26.3	Very low	27.2	Very low	101 Å²	101	110.9 Å²	110.9	38%	0.381	62%	0.62	S	S	.	*			trans	43.7	159.4	141.4	-64.6	177.3	-172.9	156.2	2.7	123.1	R61 Y1938 Q1942	R61-R1695 PolarHBondContact O-NH2 2.92Å; R1695-Y1938 PolarHBondContact NH1-OH 2.63Å; R1695-Q1942 PolarHBondContact O-NE2 2.77Å
1696	D	25.7	Very low	26.7	Very low	87 Å²	87	111.1 Å²	111.1	47%	0.465	62%	0.622	S	S	.	*			trans	75.9	115.4	156.4	-56.2	-30.1	0	0	0	111.3	K63 Q1942	K63-D1696 IonicContact NZ-OD2 3.71Å; K63-D1696 PolarHBondContact NZ-OD2 3.2Å; D1696-Q1942 PolarHBondContact OD2-NE2 3.26Å
1697	T	29.5	Very low	26.5	Very low	125 Å²	125	113.2 Å²	113.2	77%	0.767	62%	0.624	S	S	*	*			cis	-133.7	126.6	21.1	50.7	0	0	0	0	111.3
1698	S	25.8	Very low	26	Very low	83 Å²	83	113.2 Å²	113.2	58%	0.58	62%	0.617	S	S	*	*				65.5	110.9	63.6	88.6	0	0	0	0	116
1699	K	25.1	Very low	26	Very low	177 Å²	177	112.7 Å²	112.7	77%	0.77	61%	0.608	S	S	*	*				70.2	140.7	126.9	-70.4	175.7	-179.9	177.3	0	119.6
1700	F	24.6	Very low	26.1	Very low	163 Å²	163	114.5 Å²	114.5	72%	0.715	61%	0.61	S	S	*	*			cis	170	-177.5	-13.9	-134	-102	0	0	0	104.4
1701	F	24.6	Very low	26.1	Very low	166 Å²	166	116.1 Å²	116.1	73%	0.728	61%	0.61	S	S	*	*			trans	75.7	172.3	163.6	-41.8	-62.3	0	0	0	114.9
1702	P	29.2	Very low	26.2	Very low	104 Å²	104	118.5 Å²	118.5	68%	0.675	61%	0.613	S	S	*	*				-138.6	-163	-100.5	36.1	-12.4	0	0	0	115.1
1703	T	22.8	Very low	26.1	Very low	114 Å²	114	122.7 Å²	122.7	70%	0.699	62%	0.618	S	S	*	*			trans	78.2	121.7	161.5	58.4	0	0	0	0	120.3
1704	N	23.8	Very low	26.1	Very low	134 Å²	134	125.9 Å²	125.9	72%	0.717	64%	0.637	S	S	*	*			trans	52	130.9	133.1	-52.2	-9.1	0	0	0	120.9
1705	F	22.1	Very low	26.1	Very low	182 Å²	182	129 Å²	129	80%	0.798	66%	0.659	S	S	*	*				176.4	100.3	109.6	-105.3	-89.8	0	0	0	105.6
1706	E	24.6	Very low	25.9	Very low	154 Å²	154	127.1 Å²	127.1	72%	0.72	66%	0.658	S	S	*	*				73.2	110.3	78.3	-177.9	178.3	-175.6	0	0	113
1707	L	25.6	Very low	25.7	Very low	152 Å²	152	127.1 Å²	127.1	80%	0.796	66%	0.661	S	S	*	*			trans	-154.2	102.3	153.1	-122.9	178.2	0	0	0	110.5
1708	N	24.8	Very low	25.5	Very low	118 Å²	118	125.3 Å²	125.3	63%	0.631	65%	0.654	S	S	*	*			trans	55.5	132.4	155.6	-67.8	-18.4	0	0	0	119.7
1709	N	27.4	Very low	25.8	Very low	107 Å²	107	125.8 Å²	125.8	57%	0.572	66%	0.657	S	S	*	*			cis	-162.5	152.9	1.1	-127.5	-38.8	0	0	0	111.5
1710	Q	26.8	Very low	26	Very low	134 Å²	134	120.5 Å²	120.5	63%	0.626	64%	0.641	S	S	*	*			trans	55.9	125.5	147.1	-74.4	165	61.4	0	0	120.3
1711	M	27	Very low	26.3	Very low	136 Å²	136	118.8 Å²	118.8	67%	0.67	64%	0.639	S	S	*	*				57.7	136.2	125.8	-56.6	-162.7	-147.7	0	0	118.9
1712	K	27.3	Very low	26.3	Very low	113 Å²	113	112.7 Å²	112.7	49%	0.491	61%	0.614	S	S	.	*			cis	-179.6	176.7	5.8	-115	171	-173.3	161.9	0	105.7
1713	Q	26.2	Very low	26.1	Very low	141 Å²	141	113.9 Å²	113.9	66%	0.659	61%	0.605	S	S	*	*			trans	64.4	101.8	156.4	-66.3	148.6	148	0	0	115.5
1714	T	31.4	Very low	26.2	Very low	124 Å²	124	115.4 Å²	115.4	76%	0.761	60%	0.602	S	S	*	*				-38.4	130.3	122.7	47.2	0	0	0	0	109.3
1715	P	26.5	Very low	26.2	Very low	94 Å²	94	113.9 Å²	113.9	61%	0.61	59%	0.593	S	S	*	*				-141.6	172.2	94.7	49.4	-35.6	0	0	0	107.9
1716	V	22.7	Very low	26.3	Very low	62 Å²	62	110.1 Å²	110.1	38%	0.376	59%	0.589	S	S	.	*			cis	149.6	160.3	5	124	0	0	0	0	109.2	P2381 D2382	V1716-P2381 WeakPolarHBondContact CG1-O 2.92Å; V1716-D2382 WeakPolarHBondContact CG1-O 3.2Å
1717	V	22.3	Very low	26.2	Very low	86 Å²	86	107.2 Å²	107.2	52%	0.521	59%	0.586	S	S	.	*			trans	41.6	106.8	150.3	174.5	0	0	0	0	118.9
1718	S	24.1	Very low	26	Very low	88 Å²	88	106.5 Å²	106.5	62%	0.615	58%	0.583	S	S	*	*				54.7	132.3	117.1	-40.6	0	0	0	0	121.6
1719	S	33.4	Very low	26	Very low	93 Å²	93	104 Å²	104	65%	0.65	58%	0.575	S	S	*	*				29.8	106.5	119.2	-45.6	0	0	0	0	117.8
1720	P	28.9	Very low	25.8	Very low	66 Å²	66	102.4 Å²	102.4	43%	0.429	57%	0.572	S	S	.	*				-121.7	126.1	110.7	31.8	-26.5	0	0	0	109.8
1721	N	30	Very low	25.6	Very low	127 Å²	127	99 Å²	99	68%	0.679	56%	0.558	S	S	*	*			cis	56.2	55.8	15.8	-158.7	6.2	0	0	0	114.4
1722	L	24.5	Very low	25.5	Very low	38 Å²	38	97.6 Å²	97.6	20%	0.199	55%	0.553	C	S	.	*			trans	-90.1	115.7	135.2	-71.4	-146.9	0	0	0	107.6	T2387	L1722-T2387 HydrophobicContact CD1-CG2 3.47Å; L1722-T2387 VanDerWaalsContact CD1-CG2 3.47Å; L1722-T2387 HydrophobicContact CG-CG2 4.44Å
1723	R	26.9	Very low	25.4	Very low	129 Å²	129	97.9 Å²	97.9	49%	0.487	56%	0.56	S	S	.	*				66	137.4	80.3	-67	-177.5	-143.3	164.3	7.8	110.9	I1725	R1723-I1725 HydrophobicContact CB-CG1 4.4Å; R1723-I1725 HydrophobicContact CG-CG1 4.12Å
1724	F	24.9	Very low	25.4	Very low	145 Å²	145	97.1 Å²	97.1	64%	0.636	56%	0.561	S	S	*	*			cis	-111.8	123.7	31.9	-80.5	-98.7	0	0	0	112.7
1725	I	23.6	Very low	25.3	Very low	102 Å²	102	96.6 Å²	96.6	52%	0.523	55%	0.553	S	S	.	*				64.8	104.4	94.2	-68.2	-167	0	0	0	109.1	R1723	R1723-I1725 HydrophobicContact CB-CG1 4.4Å; R1723-I1725 HydrophobicContact CG-CG1 4.12Å
1726	S	23.2	Very low	25.5	Very low	104 Å²	104	98.4 Å²	98.4	73%	0.727	56%	0.558	S	S	*	*				61.8	145.4	88.9	-38.4	0	0	0	0	112.4
1727	S	23.2	Very low	25.6	Very low	92 Å²	92	101.6 Å²	101.6	64%	0.643	57%	0.573	S	S	*	*			cis	-152.2	167.4	24.8	-43.5	0	0	0	0	111.5
1728	N	21.5	Very low	25.7	Very low	137 Å²	137	103.7 Å²	103.7	73%	0.733	58%	0.581	S	S	*	*				36.3	158	128.7	-54.4	-2.6	0	0	0	121.5
1729	S	24.4	Very low	25.8	Very low	66 Å²	66	106.1 Å²	106.1	46%	0.462	59%	0.587	S	S	.	*			trans	63.7	95.9	176.5	-56.6	0	0	0	0	112.9	S2167 S2168	S1729-S2167 PolarHBondContact N-OG 2.98Å; S1729-S2167 PolarHBondContact OG-OG 3.07Å; S1729-S2168 PolarHBondContact OG-O 3.18Å; S1729-S2168 VanDerWaalsContact OG-O 3.1Å
1730	S	24	Very low	25.9	Very low	74 Å²	74	108.9 Å²	108.9	52%	0.517	60%	0.595	S	S	.	*			cis	55.4	160.6	27.7	148.9	0	0	0	0	112.8	S2167	S1730-S2167 CarbonylContact C-O 2.85Å; S1730-S2167 VanDerWaalsContact C-O 3.26Å; S1730-S2167 WeakPolarHBondContact OG-CA 3.47Å; S1730-S2167 WeakPolarHBondContact OG-CB 3.29Å; S1730-S2167 PolarHBondContact OG-N 3.01Å; S1730-S2167 PolarHBondContact OG-O 2.89Å
1731	N	22.8	Very low	26.2	Very low	63 Å²	63	110.5 Å²	110.5	34%	0.337	61%	0.605	S	S	.	*			trans	61.7	135.8	-158.4	-75.2	32.9	0	0	0	111.7	S2167 S2168	N1731-S2167 VanDerWaalsContact CG-O 3.29Å; N1731-S2167 PolarHBondContact N-O 3.12Å; N1731-S2167 VanDerWaalsContact OD1-C 3.25Å; N1731-S2167 PolarHBondContact OD1-O 2.94Å; N1731-S2168 WeakPolarHBondContact ND2-CA 3.26Å; N1731-S2168 PolarHBondContact OD1-N 3.34Å
1732	N	24.3	Very low	26	Very low	106 Å²	106	111.2 Å²	111.2	57%	0.567	61%	0.608	S	S	*	*			cis	-156.5	154.7	1.4	-121.9	2.7	0	0	0	110.8
1733	N	24.9	Very low	26	Very low	119 Å²	119	115.7 Å²	115.7	64%	0.636	63%	0.63	S	S	*	*			trans	52.6	127.6	136.1	-61.6	4.1	0	0	0	118.5
1734	N	26	Very low	26.1	Very low	125 Å²	125	110.2 Å²	110.2	67%	0.668	61%	0.611	S	S	*	*			cis	-165.6	162.5	31.1	-123.4	3.4	0	0	0	114.9
1735	N	28.6	Very low	26	Very low	112 Å²	112	105.5 Å²	105.5	60%	0.599	59%	0.594	S	S	*	*			trans	74	105.6	151.7	-63.1	7.1	0	0	0	119.1
1736	N	31.3	Very low	26.1	Very low	133 Å²	133	106 Å²	106	71%	0.711	59%	0.59	S	S	*	*			trans	84.6	84.8	142	-54.4	5.5	0	0	0	114.4
1737	N	25.6	Very low	26.2	Very low	129 Å²	129	108.3 Å²	108.3	69%	0.69	59%	0.593	S	S	*	*				69.7	101.4	80.1	-63.1	1.3	0	0	0	110.4
1738	N	24.8	Very low	26.4	Very low	129 Å²	129	107.2 Å²	107.2	69%	0.69	60%	0.596	S	S	*	*				92.4	134.2	88.2	-69.3	-6.1	0	0	0	110.8
1739	N	24.9	Very low	26.9	Very low	140 Å²	140	105.9 Å²	105.9	75%	0.749	60%	0.604	S	S	*	*			cis	-148.3	132.5	-20.7	-101	-28.6	0	0	0	109.3
1740	N	36.6	Very low	27.1	Very low	151 Å²	151	107.2 Å²	107.2	81%	0.807	62%	0.619	S	S	*	*			trans	-82.2	157.7	138.7	-78.4	-86.2	0	0	0	105.8
1741	P	34.5	Very low	27.3	Very low	100 Å²	100	108.6 Å²	108.6	65%	0.649	63%	0.625	S	S	*	*			cis	-137.3	-159.6	28.2	34.6	-11.4	0	0	0	112.5
1742	L	24.7	Very low	27.5	Very low	142 Å²	142	107.6 Å²	107.6	74%	0.743	63%	0.629	S	S	*	*			trans	69.5	145.3	170.2	-51.3	156.4	0	0	0	112.4
1743	M	24.9	Very low	27.6	Very low	132 Å²	132	106 Å²	106	65%	0.65	62%	0.623	S	S	*	*			cis	-131.5	137.8	9.8	-105.1	-143.9	-175.3	0	0	113
1744	S	29.3	Very low	27.6	Very low	14 Å²	14	110.5 Å²	110.5	10%	0.098	64%	0.638	C	S	.	*				-64.5	114.9	129.7	-70.4	0	0	0	0	107.9	H628 N638	H628-S1744 PolarHBondContact CE1-O 2.9Å; H628-S1744 PolarHBondContact ND1-O 3.25Å; N638-S1744 WeakPolarHBondContact ND2-CB 3.38Å; N638-S1744 PolarHBondContact OD1-OG 2.92Å
1745	T	22.8	Very low	27.7	Very low	46 Å²	46	115 Å²	115	28%	0.282	65%	0.647	S	S	.	*			trans	171.5	119.2	145.2	-65.1	0	0	0	0	104.4	H628 L1747	H628-T1745 PolarHBondContact CE1-OG1 3.14Å; H628-T1745 PolarHBondContact ND1-OG1 2.94Å; T1745-L1747 HydrophobicContact CG2-CD1 4.11Å
1746	R	26.3	Very low	27.6	Very low	112 Å²	112	114 Å²	114	42%	0.423	65%	0.646	S	S	.	*				78.7	157.1	55.8	174.3	-174.8	176.6	-114	-1.8	111.2	I627 H628 K634	I627-R1746 PolarHBondContact O-NH1 2.9Å; H628-R1746 WeakPolarHBondContact O-CD 3.36Å; H628-R1746 PolarHBondContact O-NE 3.02Å; H628-R1746 VanDerWaalsContact O-NE 3.08Å; H628-R1746 PolarHBondContact O-NH1 2.9Å; K634-R1746 HydrophobicContact CD-CB 4.34Å
1747	L	25.7	Very low	27.3	Very low	153 Å²	153	114 Å²	114	80%	0.801	65%	0.654	S	S	*	*			trans	74.9	137.4	-158.5	-61.4	93	0	0	0	112.7	T1745	T1745-L1747 HydrophobicContact CG2-CD1 4.11Å
1748	G	27.6	Very low	27.3	Very low	69 Å²	69	114.7 Å²	114.7	71%	0.711	66%	0.656	S	S	*	*			cis	177	127.6	-15.3	0	0	0	0	0	115.6
1749	A	30.7	Very low	27.3	Very low	109 Å²	109	113.1 Å²	113.1	90%	0.901	66%	0.655	S	S	*	*			trans	63.1	143.5	170.7	0	0	0	0	0	117.3
1750	A	30	Very low	27.1	Very low	94 Å²	94	111.3 Å²	111.3	78%	0.777	65%	0.653	S	S	*	*			cis	-165	176.4	-19.3	0	0	0	0	0	107.8
1751	T	27.6	Very low	26.5	Very low	103 Å²	103	111.7 Å²	111.7	63%	0.632	65%	0.654	S	S	*	*			cis	-126	-96.9	2.5	54.4	0	0	0	0	110.8
1752	G	26.3	Very low	26	Very low	42 Å²	42	112.8 Å²	112.8	43%	0.433	66%	0.664	S	S	.	*			trans	64.8	106.5	152.2	0	0	0	0	0	121.3	N2013	G1752-N2013 WeakPolarHBondContact CA-OD1 3.14Å
1753	T	25.8	Very low	26.1	Very low	72 Å²	72	111.6 Å²	111.6	44%	0.442	66%	0.663	S	S	.	*			trans	-75.1	134	179.1	55.8	0	0	0	0	115.8	Q2012	T1753-Q2012 HydrophobicContact CG2-CB 3.66Å; T1753-Q2012 PolarHBondContact N-O 2.66Å; T1753-Q2012 PolarHBondContact OG1-O 2.71Å
1754	F	26.6	Very low	26.6	Very low	213 Å²	213	109.9 Å²	109.9	93%	0.934	66%	0.664	S	S	*	*			trans	-147.3	127.7	153.2	-106.4	-78.9	0	0	0	112.8
1755	Y	28.1	Very low	26.6	Very low	221 Å²	221	115 Å²	115	87%	0.867	70%	0.695	S	S	*	*			trans	-117.5	125	179.9	-118.6	-84	0	0	0	111.3
1756	P	25.3	Very low	26.7	Very low	90 Å²	90	115.8 Å²	115.8	58%	0.584	71%	0.713	S	S	*	*			trans	-88	124.1	174.3	32.5	-31.7	0	0	0	111.6	I1758	P1756-I1758 VanDerWaalsContact C-N 3.28Å; P1756-I1758 HydrophobicContact CB-CG1 4.32Å; P1756-I1758 PolarHBondContact O-N 3.41Å
1757	P	26.4	Very low	26.8	Very low	133 Å²	133	117.5 Å²	117.5	86%	0.864	73%	0.729	S	S	*	*			trans	-79.1	66.8	-178.7	32.1	-36.2	0	0	0	113.1	S1759	P1757-S1759 PolarHBondContact O-N 3.23Å
1758	I	23.8	Very low	26.6	Very low	144 Å²	144	113.7 Å²	113.7	74%	0.738	72%	0.715	S	S	*	*			trans	-83.2	97.6	175.7	-55.4	177.2	0	0	0	110.1	P1756	P1756-I1758 VanDerWaalsContact C-N 3.28Å; P1756-I1758 HydrophobicContact CB-CG1 4.32Å; P1756-I1758 PolarHBondContact O-N 3.41Å
1759	S	24.8	Very low	26.4	Very low	95 Å²	95	115 Å²	115	66%	0.664	71%	0.713	S	S	*	*			trans	-166.2	83.2	162.3	-94.4	0	0	0	0	115.3	P1757 R2003	P1757-S1759 PolarHBondContact O-N 3.23Å; S1759-R2003 PolarHBondContact O-NH2 2.86Å
1760	S	22.2	Very low	26.2	Very low	102 Å²	102	114.9 Å²	114.9	71%	0.713	71%	0.705	S	S	*	*			trans	-159.9	46.8	149.4	67.6	0	0	0	0	114.8
1761	L	24.1	Very low	25.9	Very low	159 Å²	159	116.7 Å²	116.7	83%	0.832	70%	0.701	S	S	*	*			trans	-126.6	98.8	161.2	-100.6	94.9	0	0	0	111.1
1762	S	24.2	Very low	25.8	Very low	123 Å²	123	116.4 Å²	116.4	86%	0.86	70%	0.703	S	S	*	*			trans	-128.8	67.4	157	52.5	0	0	0	0	109.4
1763	T	25.1	Very low	25.8	Very low	117 Å²	117	118.4 Å²	118.4	72%	0.718	71%	0.711	S	S	*	*			trans	-49.9	152.5	148.5	34.4	0	0	0	0	109.9
1764	S	35.6	Very low	25.8	Very low	96 Å²	96	119.2 Å²	119.2	67%	0.671	72%	0.719	S	S	*	*			cis	-160	175.5	37.3	60.6	0	0	0	0	114.5
1765	T	30.2	Very low	25.8	Very low	122 Å²	122	115 Å²	115	75%	0.748	71%	0.706	S	S	*	*			trans	72.5	176.4	168	77.5	0	0	0	0	117.7	I1767	T1765-I1767 HydrophobicContact CG2-CD1 4.46Å
1766	G	24.3	Very low	25.5	Very low	63 Å²	63	109.9 Å²	109.9	65%	0.649	69%	0.694	S	S	*	*			trans	74.4	37.4	-159.9	0	0	0	0	0	113.2
1767	I	28	Very low	25.6	Very low	148 Å²	148	112 Å²	112	76%	0.759	70%	0.701	S	S	*	*				41.5	87.2	89.4	-54.1	165.2	0	0	0	110.7	T1765	T1765-I1767 HydrophobicContact CG2-CD1 4.46Å
1768	S	22.8	Very low	25.8	Very low	73 Å²	73	111.1 Å²	111.1	51%	0.51	69%	0.689	S	S	.	*			trans	-158.5	69.8	165.7	-76	0	0	0	0	110.3	R468 S1770	R468-S1768 PolarHBondContact NH2-OG 3.33Å; S1768-S1770 PolarHBondContact O-N 2.75Å
1769	S	23.1	Very low	26.1	Very low	95 Å²	95	110.1 Å²	110.1	66%	0.664	69%	0.685	S	S	*	*				16.7	96.6	129.7	60	0	0	0	0	116.9
1770	S	25.4	Very low	26.3	Very low	107 Å²	107	111.7 Å²	111.7	75%	0.748	69%	0.686	S	S	*	*				-122.7	110.1	103.9	50.9	0	0	0	0	105.8	S1768	S1768-S1770 PolarHBondContact O-N 2.75Å
1771	L	24	Very low	26.6	Very low	132 Å²	132	113.1 Å²	113.1	69%	0.691	69%	0.685	S	S	*	*			cis	52	36	31.2	-141.8	178.2	0	0	0	111.3
1772	S	25.7	Very low	26.7	Very low	97 Å²	97	112.2 Å²	112.2	68%	0.678	68%	0.682	S	S	*	*				-116.1	108.8	108.7	50.4	0	0	0	0	104.8
1773	S	26.2	Very low	26.8	Very low	85 Å²	85	112 Å²	112	59%	0.594	68%	0.675	S	S	*	*			cis	47.5	174.7	25.4	-54.3	0	0	0	0	111.6
1774	S	25.3	Very low	27	Very low	88 Å²	88	116.5 Å²	116.5	62%	0.615	69%	0.685	S	S	*	*			trans	61.9	110.3	-173.8	-82.1	0	0	0	0	112.9
1775	N	26.6	Very low	26.7	Very low	124 Å²	124	115.6 Å²	115.6	66%	0.663	69%	0.691	S	S	*	*			cis	-140.1	144.2	15.8	-78.5	-44.9	0	0	0	108.8
1776	N	23.5	Very low	26.7	Very low	115 Å²	115	117.2 Å²	117.2	62%	0.615	69%	0.693	S	S	*	*				50.4	98.7	66.3	-38	12.3	0	0	0	106.9
1777	N	27	Very low	26.8	Very low	134 Å²	134	120.5 Å²	120.5	72%	0.717	70%	0.696	S	S	*	*				166.3	147.6	100	-78.3	-19.1	0	0	0	104.4
1778	N	29.4	Very low	27	Very low	115 Å²	115	121 Å²	121	62%	0.615	69%	0.692	S	S	*	*			cis	-150.6	152.5	-3.5	-121.3	-10.9	0	0	0	110.2
1779	N	31.2	Very low	27.3	Very low	122 Å²	122	124.2 Å²	124.2	65%	0.652	70%	0.7	S	S	*	*				24.9	124.7	123.6	-61.5	5.8	0	0	0	117.8
1780	N	29.2	Very low	27.6	Very low	128 Å²	128	124.5 Å²	124.5	68%	0.684	70%	0.702	S	S	*	*			trans	86.7	109.2	133.6	-58.9	5	0	0	0	119.1
1781	N	28.4	Very low	27.8	Very low	132 Å²	132	126.3 Å²	126.3	71%	0.706	70%	0.701	S	S	*	*				82.9	132.2	123.2	-57.9	0.7	0	0	0	119.8
1782	N	25.2	Very low	28.2	Very low	141 Å²	141	123.8 Å²	123.8	75%	0.754	70%	0.695	S	S	*	*			trans	82.4	105.3	149.2	-60	-0.8	0	0	0	120.3
1783	T	27.5	Very low	28.5	Very low	119 Å²	119	120.4 Å²	120.4	73%	0.73	68%	0.676	S	S	*	*				85.1	116.3	122.2	-53.5	0	0	0	0	120
1784	F	28.8	Very low	28.9	Very low	211 Å²	211	117.5 Å²	117.5	93%	0.925	66%	0.657	S	S	*	*			trans	32.8	130.7	154.4	-75.1	-103.3	0	0	0	121.5
1785	G	29	Very low	29.4	Very low	76 Å²	76	116.2 Å²	116.2	78%	0.784	65%	0.646	S	S	*	*			trans	170.9	44.5	167	0	0	0	0	0	122.7
1786	I	31.3	Very low	29.4	Very low	156 Å²	156	118.9 Å²	118.9	80%	0.8	65%	0.652	S	S	*	*			trans	38.4	128.7	147.7	-60.8	175	0	0	0	121.8
1787	N	24.7	Very low	29.4	Very low	133 Å²	133	119.5 Å²	119.5	71%	0.711	66%	0.655	S	S	*	*			trans	80.5	115.3	153.9	-80.3	-26.7	0	0	0	123.8
1788	K	32.7	Very low	29.2	Very low	157 Å²	157	121 Å²	121	68%	0.683	66%	0.656	S	S	*	*				54.8	150.9	116.2	-73.5	179.3	153.2	-157	0	121.6
1789	Q	28.7	Very low	28.9	Very low	142 Å²	142	121.6 Å²	121.6	66%	0.664	66%	0.659	S	S	*	*			cis	-166.2	160.7	4.7	-132.6	170.6	-56.3	0	0	113.9
1790	S	30.4	Very low	28.6	Very low	101 Å²	101	123 Å²	123	71%	0.706	67%	0.666	S	S	*	*			trans	74.7	174.1	145.4	90.6	0	0	0	0	119.1
1791	I	29.8	Very low	28.3	Very low	144 Å²	144	122.8 Å²	122.8	74%	0.738	67%	0.669	S	S	*	*			cis	178.5	158.1	-33.9	-101	167.9	0	0	0	108.5
1792	S	30.9	Very low	28.1	Very low	79 Å²	79	121.6 Å²	121.6	55%	0.552	66%	0.663	S	S	*	*			cis	-167.7	169.9	-28.3	75.5	0	0	0	0	111.8
1793	G	33.3	Very low	28	Very low	27 Å²	27	119.4 Å²	119.4	28%	0.278	66%	0.659	S	S	.	*			trans	112.3	141.6	153.4	0	0	0	0	0	119.2	R682 G683 R684	R682-G1793 CarbonylContact C-O 3.58Å; R682-G1793 PolarHBondContact O-N 3.4Å; G683-G1793 CarbonylContact C-O 3.31Å; G683-G1793 VanDerWaalsContact CA-O 3.29Å; G683-G1793 WeakPolarHBondContact CA-O 3.27Å; G683-G1793 PolarHBondContact N-O 2.76Å; R684-G1793 WeakPolarHBondContact CB-O 3.19Å; R684-G1793 PolarHBondContact N-O 2.98Å
1794	A	34.8	Very low	27.8	Very low	24 Å²	24	121.6 Å²	121.6	20%	0.198	66%	0.66	C	S	.	*			trans	-151.8	-155.2	-179.7	0	0	0	0	0	111.3	R682 R684	R682-A1794 HydrophobicContact CB-CB 3.38Å; R682-A1794 HydrophobicContact CG-CB 3.85Å; R684-A1794 HydrophobicContact CG-CB 4.47Å; R684-A1794 PolarHBondContact NE-O 3.22Å
1795	P	35.5	Very low	27.6	Very low	60 Å²	60	120.5 Å²	120.5	39%	0.39	65%	0.652	S	S	.	*			cis	-120.1	-149.7	-17.3	30.1	-6.1	0	0	0	111.4	R684	R684-P1795 PolarHBondContact NE-O 3.28Å; R684-P1795 VanDerWaalsContact NE-O 3.08Å; R684-P1795 PolarHBondContact NH2-O 2.77Å
1796	F	25.2	Very low	27.3	Very low	180 Å²	180	124.9 Å²	124.9	79%	0.789	65%	0.652	S	S	*	*			trans	20.2	137.9	164.2	-64.1	-76.2	0	0	0	118.9
1797	N	24.1	Very low	26.9	Very low	128 Å²	128	121.5 Å²	121.5	68%	0.684	64%	0.642	S	S	*	*				-173.5	165.7	50.6	-125.3	-16	0	0	0	114.2
1798	F	23.6	Very low	26.9	Very low	167 Å²	167	121.9 Å²	121.9	73%	0.732	64%	0.643	S	S	*	*			trans	41.3	141.2	153.4	-81.1	-74.4	0	0	0	127.4
1799	N	21.9	Very low	26.4	Very low	127 Å²	127	120.5 Å²	120.5	68%	0.679	64%	0.643	S	S	*	*			trans	92.7	126.2	140.9	-76.2	-23.9	0	0	0	124.2
1800	L	25.8	Very low	26.3	Very low	152 Å²	152	120.8 Å²	120.8	80%	0.796	65%	0.649	S	S	*	*			trans	30.1	133.2	132.6	-63	159.8	0	0	0	118.6
1801	T	22.2	Very low	26.8	Very low	122 Å²	122	121 Å²	121	75%	0.748	65%	0.647	S	S	*	*			cis	-148.4	137.2	30.9	50.2	0	0	0	0	111.4
1802	D	25.4	Very low	26.5	Very low	107 Å²	107	120 Å²	120	57%	0.572	65%	0.65	S	S	*	*				75.8	144.9	86.1	-152.2	6.2	0	0	0	116	R313	R313-D1802 IonicContact CZ-OD1 3.27Å; R313-D1802 IonicContact CZ-OD2 3.63Å; R313-D1802 IonicContact NH2-OD1 3.04Å; R313-D1802 PolarHBondContact NH2-OD1 3.28Å; R313-D1802 IonicContact NH2-OD2 2.83Å; R313-D1802 PolarHBondContact NH2-OD2 3.4Å
1803	S	23.4	Very low	26.5	Very low	96 Å²	96	120.4 Å²	120.4	67%	0.671	66%	0.658	S	S	*	*			trans	71.7	135.8	173.7	-61.3	0	0	0	0	117.5
1804	Q	21.6	Very low	26	Very low	164 Å²	164	128.1 Å²	128.1	77%	0.766	69%	0.687	S	S	*	*			cis	-144.9	177.9	-3.2	-69	-149.6	-10.6	0	0	112.9
1805	Y	24.4	Very low	25.6	Very low	189 Å²	189	132.7 Å²	132.7	74%	0.741	71%	0.706	S	S	*	*			trans	-19.4	155.9	146.7	-62.2	-94.1	0	0	0	116.6
1806	Q	23.1	Very low	25	Very low	167 Å²	167	135.9 Å²	135.9	78%	0.78	73%	0.725	S	S	*	*			cis	-149.9	136.6	34.9	-115.6	124.4	30.5	0	0	108.8
1807	S	22.8	Very low	25	Very low	85 Å²	85	131.8 Å²	131.8	59%	0.594	71%	0.709	S	S	*	*				95.2	141.8	73.1	-73.3	0	0	0	0	114.3
1808	L	24.6	Very low	25	Very low	142 Å²	142	130.1 Å²	130.1	74%	0.743	71%	0.707	S	S	*	*			trans	48.2	121.5	142	-58.6	170.8	0	0	0	117.9
1809	N	23.2	Very low	25.1	Very low	127 Å²	127	125.5 Å²	125.5	68%	0.679	70%	0.7	S	S	*	*			cis	-163.5	143.1	45.7	-92.6	-41.7	0	0	0	109.8
1810	L	27.4	Very low	25.3	Very low	149 Å²	149	125.2 Å²	125.2	78%	0.78	70%	0.698	S	S	*	*				77	150.5	79	-98.9	73.4	0	0	0	115.5
1811	P	38.9	Very low	25.4	Very low	105 Å²	105	124.9 Å²	124.9	68%	0.682	70%	0.697	S	S	*	*			trans	-99	173.8	-159.8	40.8	-39.1	0	0	0	115.1
1812	P	25	Very low	25.6	Very low	123 Å²	123	125.3 Å²	125.3	80%	0.799	70%	0.699	S	S	*	*				-136	159.5	111.4	37.8	-28.4	0	0	0	113.1
1813	A	29.6	Very low	25.7	Very low	87 Å²	87	122.9 Å²	122.9	72%	0.719	70%	0.7	S	S	*	*			cis	86.9	71.1	11.7	0	0	0	0	0	118.1
1814	Q	24.4	Very low	25.9	Very low	190 Å²	190	122.3 Å²	122.3	89%	0.888	70%	0.696	S	S	*	*			trans	-143.4	127.5	152.8	-69.2	-177.7	-30.1	0	0	106.9
1815	M	25	Very low	26.2	Very low	120 Å²	120	120.9 Å²	120.9	59%	0.591	69%	0.691	S	S	*	*			cis	83.7	86.4	1.3	-150.7	170.4	-165.4	0	0	118.3	D1127	D1127-M1815 VanDerWaalsContact O-CE 3.24Å; D1127-M1815 WeakPolarHBondContact O-CE 3.29Å
1816	T	24.1	Very low	26.3	Very low	127 Å²	127	114.4 Å²	114.4	78%	0.779	67%	0.673	S	S	*	*			trans	-147.6	125.7	151.5	23	0	0	0	0	106.8
1817	M	23.6	Very low	26.4	Very low	94 Å²	94	110.6 Å²	110.6	46%	0.463	66%	0.658	S	S	.	*				61.2	125	81.3	-55.9	-20	167.6	0	0	111.5	D1127	D1127-M1817 HydrophobicContact CB-CE 4.5Å
1818	S	24.7	Very low	26.6	Very low	92 Å²	92	111.2 Å²	111.2	64%	0.643	65%	0.654	S	S	*	*			cis	-156.7	-167.7	2.8	-69.1	0	0	0	0	107.4
1819	A	26.5	Very low	26.8	Very low	70 Å²	70	108.2 Å²	108.2	58%	0.579	64%	0.637	S	S	*	*			cis	-153.2	146	5.6	0	0	0	0	0	112.3
1820	N	25.4	Very low	27	Very low	121 Å²	121	105 Å²	105	65%	0.647	63%	0.633	S	S	*	*				43.4	149.4	126.3	-55.4	-6.5	0	0	0	124
1821	N	27.5	Very low	27.1	Very low	146 Å²	146	101.7 Å²	101.7	78%	0.781	62%	0.623	S	S	*	*			trans	75.3	148.8	142	-76.9	13.5	0	0	0	119.6
1822	V	27	Very low	26.5	Very low	130 Å²	130	102.1 Å²	102.1	79%	0.788	62%	0.619	S	S	*	*			cis	-161.1	179.9	-27.5	98.6	0	0	0	0	107.5
1823	G	27.2	Very low	26.7	Very low	57 Å²	57	103.9 Å²	103.9	59%	0.588	61%	0.614	S	S	*	*			trans	95.6	79.8	167.9	0	0	0	0	0	111.6
1824	S	27.6	Very low	27.1	Very low	84 Å²	84	105.4 Å²	105.4	59%	0.587	61%	0.611	S	S	*	*				70.7	116.8	71.1	-54.9	0	0	0	0	111.7
1825	M	27.6	Very low	27.7	Very low	133 Å²	133	101.9 Å²	101.9	66%	0.655	60%	0.604	S	S	*	*				68.4	142.2	98.1	-50.9	-156.5	80.7	0	0	112.1	N1607 N1827	N1607-M1825 PolarHBondContact N-O 2.76Å; M1825-N1827 WeakPolarHBondContact CE-OD1 3.43Å
1826	S	27.1	Very low	28	Very low	53 Å²	53	101.4 Å²	101.4	37%	0.371	61%	0.608	S	S	.	*			cis	-163.3	176	24	10.3	0	0	0	0	108	I1608	I1608-S1826 PolarHBondContact N-OG 3.18Å; I1608-S1826 PolarHBondContact O-OG 3.09Å; I1608-S1826 VanDerWaalsContact O-OG 3.07Å
1827	N	25.1	Very low	28.4	Very low	88 Å²	88	101.8 Å²	101.8	47%	0.471	61%	0.611	S	S	.	*			cis	-155.1	148.3	-21.9	-99.4	-7	0	0	0	104.9	M1825	M1825-N1827 WeakPolarHBondContact CE-OD1 3.43Å
1828	L	26.7	Very low	28.6	Very low	97 Å²	97	100.5 Å²	100.5	51%	0.508	62%	0.621	S	S	.	*				55.3	130.6	67.1	-71	160.9	0	0	0	113.9	Y1148	Y1148-L1828 HydrophobicContact CE1-CD2 4.25Å; Y1148-L1828 WeakPolarHBondContact OH-CA 3.41Å; Y1148-L1828 PolarHBondContact OH-N 3.37Å
1829	H	28.7	Very low	28.6	Very low	80 Å²	80	101.9 Å²	101.9	37%	0.37	63%	0.631	S	S	.	*			trans	47.4	109.7	148.6	-55.1	-31.2	0	0	0	117.2	Y1148 Y1149 S1150	Y1148-H1829 AromaticContact CD1-CE1 3.99Å; Y1148-H1829 AromaticContact CD1-ND1 3.9Å; Y1149-H1829 AromaticContact CD1-CE1 3.93Å; Y1149-H1829 AromaticContact CE1-CE1 3.44Å; Y1149-H1829 VanDerWaalsContact CE1-CE1 3.44Å; Y1149-H1829 WeakPolarHBondContact CE1-CE1 3.32Å; Y1149-H1829 AromaticContact CE1-ND1 3.42Å; Y1149-H1829 WeakPolarHBondContact CE1-ND1 3.24Å; Y1149-H1829 AromaticContact CE2-ND1 3.77Å; Y1149-H1829 AromaticContact CZ-CE1 3.68Å; Y1149-H1829 AromaticContact CZ-CG 3.78Å; Y1149-H1829 AromaticContact CZ-ND1 3.14Å; Y1149-H1829 VanDerWaalsContact OH-CB 3.23Å; Y1149-H1829 WeakPolarHBondContact OH-CB 3.45Å; Y1149-H1829 PolarHBondContact OH-ND1 2.71Å; S1150-H1829 PolarHBondContact OG-CE1 2.91Å
1830	G	28.4	Very low	28.5	Very low	59 Å²	59	103.5 Å²	103.5	61%	0.608	64%	0.638	S	S	*	*			cis	81.9	-165.1	34.9	0	0	0	0	0	110.7
1831	S	28.6	Very low	28.3	Very low	80 Å²	80	105.3 Å²	105.3	56%	0.559	65%	0.646	S	S	*	*			trans	68.7	171.2	178	84.7	0	0	0	0	114.4	Y1149	Y1149-S1831 WeakPolarHBondContact OH-CB 3.39Å; Y1149-S1831 PolarHBondContact OH-N 3.05Å
1832	N	26	Very low	28	Very low	113 Å²	113	102.3 Å²	102.3	60%	0.604	64%	0.637	S	S	*	*			cis	-159.6	161.9	12.8	-132.6	-18.9	0	0	0	113.9
1833	F	28.8	Very low	27.8	Very low	160 Å²	160	102.6 Å²	102.6	70%	0.702	63%	0.634	S	S	*	*			trans	50.8	137	146.9	-70.5	-49.3	0	0	0	124.7
1834	N	40	Very low	27.5	Very low	120 Å²	120	104.7 Å²	104.7	64%	0.642	64%	0.638	S	S	*	*				37.7	132.1	127.5	-55.8	8.6	0	0	0	120.5
1835	P	36.4	Very low	27.2	Very low	115 Å²	115	110.2 Å²	110.2	75%	0.747	65%	0.647	S	S	*	*				-85.5	147.4	95.2	-26.4	37.9	0	0	0	111.5
1836	T	31.7	Very low	27	Very low	111 Å²	111	110.2 Å²	110.2	68%	0.681	65%	0.65	S	S	*	*			cis	62.9	145.1	43.1	82.9	0	0	0	0	112.2
1837	T	31.1	Very low	26.9	Very low	135 Å²	135	110.9 Å²	110.9	83%	0.828	67%	0.666	S	S	*	*			cis	-159.8	153	22	-28.6	0	0	0	0	110.9
1838	G	29.3	Very low	26.9	Very low	67 Å²	67	114.9 Å²	114.9	69%	0.691	69%	0.686	S	S	*	*			trans	81	160.7	171	0	0	0	0	0	114.8
1839	S	23	Very low	26.8	Very low	120 Å²	120	113.4 Å²	113.4	84%	0.839	69%	0.694	S	S	*	*			cis	-144.4	159.5	-3.6	-74.5	0	0	0	0	111.9
1840	S	24.9	Very low	26.6	Very low	104 Å²	104	114.4 Å²	114.4	73%	0.727	71%	0.71	S	S	*	*			trans	-59	-177	153.8	-45.6	0	0	0	0	111.2
1841	I	21.5	Very low	26.3	Very low	160 Å²	160	116.8 Å²	116.8	82%	0.821	72%	0.717	S	S	*	*			trans	75.5	130.7	169.3	-58.2	158.5	0	0	0	111.6
1842	S	22.1	Very low	26	Very low	83 Å²	83	117.6 Å²	117.6	58%	0.58	72%	0.723	S	S	*	*			cis	-170.7	174.6	-11.9	53.8	0	0	0	0	109.2
1843	N	21.9	Very low	25.8	Very low	136 Å²	136	116.3 Å²	116.3	73%	0.727	72%	0.723	S	S	*	*			trans	66.6	127.4	153.9	-65.7	-0.3	0	0	0	116
1844	C	22.1	Very low	25.7	Very low	101 Å²	101	115.9 Å²	115.9	68%	0.682	73%	0.728	S	S	*	*				73.7	139.5	51.4	-61.8	0	0	0	0	113.1
1845	Y	20.7	Very low	25.1	Very low	199 Å²	199	114.6 Å²	114.6	78%	0.78	73%	0.728	S	S	*	*			trans	81.7	116.9	164.2	-62.3	178.4	0	0	0	114.1
1846	N	23.6	Very low	24.7	Very low	134 Å²	134	113.8 Å²	113.8	72%	0.717	73%	0.726	S	S	*	*				67.7	99.6	94.2	-49.9	-12.3	0	0	0	107.4
1847	G	24.6	Very low	24.5	Very low	67 Å²	67	115 Å²	115	69%	0.691	73%	0.732	S	S	*	*			cis	119.1	-145.4	45.1	0	0	0	0	0	105.5	G1849	G1847-G1849 PolarHBondContact O-N 3.37Å
1848	L	24.9	Very low	24.3	Very low	172 Å²	172	114.7 Å²	114.7	90%	0.901	73%	0.733	S	S	*	*			trans	48.4	70.4	161.3	-56.8	168.6	0	0	0	112.7
1849	G	24	Very low	24.2	Very low	66 Å²	66	114.7 Å²	114.7	68%	0.68	73%	0.733	S	S	*	*			cis	117.8	-143.7	44.5	0	0	0	0	0	106.8	G1847	G1847-G1849 PolarHBondContact O-N 3.37Å
1850	S	25	Very low	24.3	Very low	101 Å²	101	116.4 Å²	116.4	71%	0.706	73%	0.733	S	S	*	*			trans	42.5	105.7	153.6	58.2	0	0	0	0	117
1851	S	21.6	Very low	24.5	Very low	108 Å²	108	119.6 Å²	119.6	76%	0.755	74%	0.736	S	S	*	*				100.5	140.2	94.4	66.4	0	0	0	0	111.7
1852	S	23	Very low	24.7	Very low	97 Å²	97	119.3 Å²	119.3	68%	0.678	74%	0.735	S	S	*	*			cis	-177.5	-171.5	-3.2	44.3	0	0	0	0	108.7
1853	S	22.7	Very low	24.8	Very low	86 Å²	86	124.4 Å²	124.4	60%	0.601	74%	0.743	S	S	*	*			trans	63.4	119.5	139.7	52.7	0	0	0	0	117.4
1854	N	25.9	Very low	25.1	Very low	151 Å²	151	124.3 Å²	124.3	81%	0.807	74%	0.743	S	S	*	*			cis	-162.1	159.6	20.6	-86.5	-27.2	0	0	0	108.9
1855	S	28.1	Very low	25.6	Very low	93 Å²	93	127.9 Å²	127.9	65%	0.65	75%	0.749	S	S	*	*			cis	-171.8	160.5	-6.4	43.6	0	0	0	0	110.6
1856	S	26.3	Very low	26.1	Very low	99 Å²	99	120.1 Å²	120.1	69%	0.692	72%	0.723	S	S	*	*			trans	59.9	118.9	158.3	42.2	0	0	0	0	118
1857	V	28.9	Very low	26.7	Very low	135 Å²	135	117.7 Å²	117.7	82%	0.818	71%	0.707	S	S	*	*			cis	59.3	127.2	22.7	-175.8	0	0	0	0	112.3
1858	P	25.8	Very low	27.4	Very low	129 Å²	129	122.5 Å²	122.5	84%	0.838	71%	0.709	S	S	*	*			cis	-137.5	174.3	21.8	38.7	-19.9	0	0	0	118
1859	G	26.8	Very low	28.4	Very low	67 Å²	67	119.6 Å²	119.6	69%	0.691	69%	0.694	S	S	*	*			trans	132	130.2	161.5	0	0	0	0	0	111.6
1860	N	25.4	Very low	29.8	Very low	157 Å²	157	119.9 Å²	119.9	84%	0.84	68%	0.678	S	S	*	*			cis	66.1	149	40.2	-70	-11.9	0	0	0	114.6
1861	Q	29.8	Very low	30.7	Very low	170 Å²	170	122 Å²	122	79%	0.794	67%	0.67	S	S	*	*			trans	71	137.2	-156.7	-35.6	-52.4	9.9	0	0	113.1
1862	L	26.2	Very low	31.9	Very low	155 Å²	155	122.4 Å²	122.4	81%	0.812	66%	0.66	S	S	*	*			cis	-155.3	165.4	-21.6	-120.2	164.7	0	0	0	108.7
1863	Y	24.4	Very low	33.6	Very low	190 Å²	190	121.8 Å²	121.8	75%	0.745	65%	0.649	S	S	*	*			trans	-78.2	163.5	-178.6	-110.1	-116.6	0	0	0	113.3
1864	N	27.8	Very low	34.8	Very low	134 Å²	134	121.2 Å²	121.2	72%	0.717	65%	0.65	S	S	*	*			trans	90	113.8	158.7	-42.8	-60.6	0	0	0	120
1865	H	32.7	Very low	35.5	Very low	176 Å²	176	121.7 Å²	121.7	82%	0.815	65%	0.651	S	S	*	*				-164.4	151.1	115.1	-124.2	-97.7	0	0	0	113.2
1866	P	30.9	Very low	35.8	Very low	36 Å²	36	123.3 Å²	123.3	23%	0.234	65%	0.65	C	S	.	*			trans	-146.1	66.1	-155.1	36.2	-10.4	0	0	0	117.2	N339 D340 T341	N339-P1866 HydrophobicContact CB-CB 4.32Å; N339-P1866 WeakPolarHBondContact O-CB 3.49Å; D340-P1866 CarbonylContact C-O 3.49Å; T341-P1866 WeakPolarHBondContact CB-O 3.32Å; T341-P1866 PolarHBondContact N-O 3.39Å; T341-P1866 VanDerWaalsContact N-O 3.08Å; T341-P1866 WeakPolarHBondContact OG1-CB 3.22Å; T341-P1866 WeakPolarHBondContact OG1-CG 3.43Å; T341-P1866 PolarHBondContact OG1-O 3.31Å
1867	E	36	Very low	36.2	Very low	82 Å²	82	120.1 Å²	120.1	38%	0.383	63%	0.632	S	S	.	*			trans	-124	-24.9	177.2	-71.6	-168.8	-162.9	0	0	116.5	L1869 Q1870	E1867-L1869 VanDerWaalsContact C-N 3.31Å; E1867-L1869 PolarHBondContact O-N 3.33Å; E1867-Q1870 VanDerWaalsContact O-CB 3.29Å; E1867-Q1870 WeakPolarHBondContact O-CB 3.47Å; E1867-Q1870 PolarHBondContact O-N 3.35Å
1868	F	38.4	Very low	36.7	Very low	168 Å²	168	117.4 Å²	117.4	74%	0.737	61%	0.613	S	S	*	*	H	α-helix	trans	-58.7	-37	-172.2	-165.6	-108.2	0	0	0	114.1	Q1870	F1868-Q1870 VanDerWaalsContact C-N 3.29Å; F1868-Q1870 PolarHBondContact O-N 3.1Å
1869	L	47.8	Very low	37.3	Very low	112 Å²	112	117.1 Å²	117.1	59%	0.586	60%	0.604	S	S	*	*	H	α-helix	trans	-66.5	-26.8	176.9	-82.6	165.6	0	0	0	113.5	E1867 L1873	E1867-L1869 VanDerWaalsContact C-N 3.31Å; E1867-L1869 PolarHBondContact O-N 3.33Å; L1869-L1873 WeakPolarHBondContact O-CG 3.32Å; L1869-L1873 PolarHBondContact O-N 3.45Å
1870	Q	51.9	Low	37.4	Very low	71 Å²	71	118.4 Å²	118.4	33%	0.332	60%	0.6	S	S	.	*	H	α-helix	trans	-68.1	-42.4	-177.9	-161.8	82.7	-33	0	0	111.4	D340 T341 E1867 F1868 A1874	D340-Q1870 PolarHBondContact O-OE1 3.16Å; T341-Q1870 WeakPolarHBondContact O-CB 3.02Å; T341-Q1870 WeakPolarHBondContact O-CG 3.03Å; T341-Q1870 PolarHBondContact O-NE2 3.07Å; E1867-Q1870 VanDerWaalsContact O-CB 3.29Å; E1867-Q1870 WeakPolarHBondContact O-CB 3.47Å; E1867-Q1870 PolarHBondContact O-N 3.35Å; F1868-Q1870 VanDerWaalsContact C-N 3.29Å; F1868-Q1870 PolarHBondContact O-N 3.1Å; Q1870-A1874 PolarHBondContact O-N 3.39Å
1871	R	43.8	Very low	37.6	Very low	145 Å²	145	115.9 Å²	115.9	55%	0.547	59%	0.592	S	S	.	*	H	α-helix	trans	-68.6	-43	-179.9	-79.2	-169.4	174.4	-166.2	5.6	112.8	S345 N346 L1873 A1874 L1875	S345-R1871 PolarHBondContact O-NH2 3.25Å; N346-R1871 VanDerWaalsContact N-NH2 3.12Å; R1871-L1873 PolarHBondContact O-N 3.3Å; R1871-A1874 PolarHBondContact O-N 3.15Å; R1871-L1875 PolarHBondContact O-N 2.99Å
1872	Q	48.1	Very low	37.7	Very low	117 Å²	117	110.4 Å²	110.4	55%	0.547	58%	0.581	S	S	.	*	H	α-helix	trans	-66.5	-34.5	179.5	-74	-169.5	-6.1	0	0	112.9	M1876	Q1872-M1876 PolarHBondContact O-N 3.3Å
1873	L	58.1	Low	37.8	Very low	84 Å²	84	107.9 Å²	107.9	44%	0.44	58%	0.577	S	S	.	*	H	α-helix	trans	-72.3	-29	175.3	-70.5	173.2	0	0	0	113.1	L1869 R1871 G1877	L1869-L1873 WeakPolarHBondContact O-CG 3.32Å; L1869-L1873 PolarHBondContact O-N 3.45Å; R1871-L1873 PolarHBondContact O-N 3.3Å; L1873-G1877 PolarHBondContact O-N 3.01Å
1874	A	47.2	Very low	37.9	Very low	75 Å²	75	106.3 Å²	106.3	62%	0.62	58%	0.58	S	S	*	*	H	α-helix	trans	-67	-48	174.4	0	0	0	0	0	112.2	Q1870 R1871 M1876 G1877	Q1870-A1874 PolarHBondContact O-N 3.39Å; R1871-A1874 PolarHBondContact O-N 3.15Å; A1874-M1876 PolarHBondContact O-N 2.65Å; A1874-G1877 PolarHBondContact O-N 3.19Å
1875	L	40.9	Very low	37.9	Very low	160 Å²	160	104.3 Å²	104.3	84%	0.838	57%	0.572	S	S	*	*	H	α-helix	trans	-63.5	-26.6	178	-79	165.9	0	0	0	113.4	R1871	R1871-L1875 PolarHBondContact O-N 2.99Å
1876	M	34.1	Very low	37.7	Very low	128 Å²	128	98.9 Å²	98.9	63%	0.631	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	-10.2	175.2	-77.9	-59.1	-50.4	0	0	114.6	Q1872 A1874 L1878	Q1872-M1876 PolarHBondContact O-N 3.3Å; A1874-M1876 PolarHBondContact O-N 2.65Å; M1876-L1878 WeakPolarHBondContact O-CG 3.1Å
1877	G	34.7	Very low	37.4	Very low	31 Å²	31	102.9 Å²	102.9	32%	0.32	57%	0.568	S	S	.	*	T	Hydrogen-bonded Turn	trans	68.6	42.9	169.5	0	0	0	0	0	115.6	L1873 A1874	L1873-G1877 PolarHBondContact O-N 3.01Å; A1874-G1877 PolarHBondContact O-N 3.19Å
1878	L	39.3	Very low	37	Very low	78 Å²	78	104.2 Å²	104.2	41%	0.408	58%	0.578	S	S	.	*			trans	-125.4	5.2	-168.1	-72	174.1	0	0	0	118.3	L1421 M1876	L1421-L1878 HydrophobicContact CB-CD2 3.84Å; L1421-L1878 HydrophobicContact CD1-CD1 4.11Å; L1421-L1878 HydrophobicContact CD1-CD2 3.43Å; L1421-L1878 VanDerWaalsContact CD1-CD2 3.43Å; L1421-L1878 HydrophobicContact CD1-CG 4.43Å; L1421-L1878 HydrophobicContact CG-CD2 4.19Å; M1876-L1878 WeakPolarHBondContact O-CG 3.1Å
1879	L	38.6	Very low	36.4	Very low	123 Å²	123	103.2 Å²	103.2	64%	0.644	58%	0.579	S	S	*	*			trans	-132.1	134.2	171.6	-79.3	98.6	0	0	0	113.5
1880	P	29.6	Very low	35.4	Very low	94 Å²	94	104.6 Å²	104.6	61%	0.61	59%	0.585	S	S	*	*			trans	-110.2	134.4	170.2	36	-27	0	0	0	113.2	I1424	I1424-P1880 HydrophobicContact CG1-CB 4.08Å
1881	P	28.8	Very low	34.3	Very low	105 Å²	105	105.9 Å²	105.9	68%	0.682	60%	0.599	S	S	*	*			trans	-107.8	157	179.6	37.3	-32.5	0	0	0	115.6	R1427	R1427-P1881 WeakPolarHBondContact CD-O 3.48Å; R1427-P1881 PolarHBondContact NH1-O 2.98Å
1882	G	33.1	Very low	33.5	Very low	54 Å²	54	107.3 Å²	107.3	56%	0.557	62%	0.616	S	S	*	*			trans	123.8	138.1	149	0	0	0	0	0	118.3	R1427	R1427-G1882 PolarHBondContact NH1-O 2.62Å
1883	S	27.6	Very low	32.5	Very low	103 Å²	103	106.8 Å²	106.8	72%	0.72	62%	0.621	S	S	*	*			trans	177.7	124.8	149	51.7	0	0	0	0	112.2
1884	I	27.5	Very low	31	Very low	157 Å²	157	107.8 Å²	107.8	81%	0.805	64%	0.635	S	S	*	*			trans	74	150.6	145.6	-61.2	165.9	0	0	0	117.4
1885	T	26.1	Very low	30.4	Very low	92 Å²	92	110.4 Å²	110.4	56%	0.564	64%	0.637	S	S	*	*			cis	-173.3	-157	-48.1	57.3	0	0	0	0	106	L1211	L1211-T1885 VanDerWaalsContact CD2-C 3.43Å; L1211-T1885 VanDerWaalsContact CD2-O 3.3Å; L1211-T1885 WeakPolarHBondContact CD2-O 3.25Å
1886	P	29.2	Very low	30.1	Very low	62 Å²	62	107.2 Å²	107.2	40%	0.403	62%	0.618	S	S	.	*			cis	-128.9	177.6	-45.4	40.6	-24.7	0	0	0	115.6	L1211	L1211-P1886 WeakPolarHBondContact CD1-O 3.3Å; L1211-P1886 VanDerWaalsContact CD2-N 3.29Å; L1211-P1886 WeakPolarHBondContact CD2-O 3.12Å
1887	E	25.2	Very low	30.1	Very low	120 Å²	120	109 Å²	109	56%	0.561	63%	0.625	S	S	*	*			trans	77	131.8	151.5	-69.6	147.8	-137.2	0	0	122.1	L1211 N1212 E1213	L1211-E1887 WeakPolarHBondContact CD1-O 3.4Å; N1212-E1887 PolarHBondContact ND2-O 2.84Å; N1212-E1887 PolarHBondContact OD1-N 3.36Å; E1213-E1887 WeakPolarHBondContact OE1-CA 3.43Å
1888	N	26.2	Very low	30.4	Very low	110 Å²	110	114.7 Å²	114.7	59%	0.588	64%	0.637	S	S	*	*			trans	109.1	121.2	142.5	-66.5	-49.5	0	0	0	122.2	N1212 E1213	N1212-N1888 PolarHBondContact ND2-N 2.74Å; E1213-N1888 PolarHBondContact OE1-N 3.21Å
1889	L	26.4	Very low	30.4	Very low	146 Å²	146	115.5 Å²	115.5	76%	0.764	64%	0.638	S	S	*	*			trans	87.1	73.6	137.7	-67	165	0	0	0	121.6
1890	M	26.1	Very low	30.7	Very low	142 Å²	142	114.7 Å²	114.7	70%	0.7	63%	0.634	S	S	*	*				37.5	157.2	96.3	-128.5	-163	-170.7	0	0	120.4
1891	P	30.6	Very low	31.3	Very low	98 Å²	98	115.9 Å²	115.9	64%	0.636	63%	0.631	S	S	*	*				-126.7	171.5	-67.6	39.3	-26.1	0	0	0	113.6
1892	I	26.8	Very low	32.3	Very low	174 Å²	174	114 Å²	114	89%	0.892	62%	0.618	S	S	*	*			trans	-129	139.3	156.1	-65.8	-176.2	0	0	0	109.8
1893	T	26.1	Very low	32.8	Very low	106 Å²	106	115.5 Å²	115.5	65%	0.65	61%	0.612	S	S	*	*			trans	-94.7	167.9	-170.1	57.4	0	0	0	0	113.8
1894	S	26.3	Very low	34.1	Very low	106 Å²	106	116.6 Å²	116.6	74%	0.741	61%	0.606	S	S	*	*			trans	52.4	79.9	143.6	63	0	0	0	0	117.3
1895	I	35.8	Very low	35.3	Very low	129 Å²	129	116.8 Å²	116.8	66%	0.662	60%	0.597	S	S	*	*			trans	-112.5	135.5	150.6	-92.1	177.7	0	0	0	107.5	E1899	I1895-E1899 WeakPolarHBondContact CG1-OE2 3.24Å; I1895-E1899 HydrophobicContact CG2-CB 3.97Å; I1895-E1899 WeakPolarHBondContact CG2-OE2 3.39Å
1896	E	33.9	Very low	36.6	Very low	94 Å²	94	117 Å²	117	44%	0.439	59%	0.594	S	S	.	*			trans	-69.2	150.9	-165.7	-75.8	-166.2	118	0	0	112.7	R1898 E1899 I1900	E1896-R1898 HydrophobicContact CB-CB 3.86Å; E1896-R1898 PolarHBondContact O-N 3.37Å; E1896-R1898 VanDerWaalsContact O-N 3.11Å; E1896-R1898 IonicContact OE1-CZ 3.97Å; E1896-R1898 IonicContact OE1-NH1 2.84Å; E1896-R1898 PolarHBondContact OE1-NH1 3.28Å; E1896-R1898 IonicContact OE1-NH2 3.9Å; E1896-R1898 IonicContact OE2-CZ 2.66Å; E1896-R1898 IonicContact OE2-NE 3.15Å; E1896-R1898 IonicContact OE2-NH1 2.73Å; E1896-R1898 PolarHBondContact OE2-NH1 3.42Å; E1896-E1899 HydrophobicContact CB-CG 4.44Å; E1896-E1899 WeakPolarHBondContact O-CA 3.45Å; E1896-E1899 PolarHBondContact O-N 3.21Å; E1896-I1900 PolarHBondContact O-N 2.95Å
1897	Q	35.1	Very low	37	Very low	165 Å²	165	116.3 Å²	116.3	77%	0.771	59%	0.586	S	S	*	*	H	α-helix	trans	-59.5	-20.5	164.3	-156.2	159.3	37.9	0	0	112.1	E1901	Q1897-E1901 WeakPolarHBondContact O-CG 3.49Å; Q1897-E1901 PolarHBondContact O-N 2.69Å
1898	R	40.2	Very low	38.2	Very low	151 Å²	151	114.1 Å²	114.1	57%	0.57	58%	0.581	S	S	*	*	H	α-helix	trans	-69.5	-33.3	168	-171.9	-179.2	-62.9	124.4	8.9	113.2	E1896 E1901 T1902	E1896-R1898 HydrophobicContact CB-CB 3.86Å; E1896-R1898 PolarHBondContact O-N 3.37Å; E1896-R1898 VanDerWaalsContact O-N 3.11Å; E1896-R1898 IonicContact OE1-CZ 3.97Å; E1896-R1898 IonicContact OE1-NH1 2.84Å; E1896-R1898 PolarHBondContact OE1-NH1 3.28Å; E1896-R1898 IonicContact OE1-NH2 3.9Å; E1896-R1898 IonicContact OE2-CZ 2.66Å; E1896-R1898 IonicContact OE2-NE 3.15Å; E1896-R1898 IonicContact OE2-NH1 2.73Å; E1896-R1898 PolarHBondContact OE2-NH1 3.42Å; R1898-E1901 CarbonylContact O-C 3.25Å; R1898-E1901 PolarHBondContact O-N 2.8Å; R1898-T1902 PolarHBondContact O-N 2.6Å
1899	E	40.4	Very low	39.2	Very low	95 Å²	95	114.8 Å²	114.8	44%	0.444	58%	0.58	S	S	.	*	H	α-helix	trans	-77.5	-33.6	177	-72.9	-169.8	163	0	0	111.5	I1895 E1896 E1901 T1902 L1903	I1895-E1899 WeakPolarHBondContact CG1-OE2 3.24Å; I1895-E1899 HydrophobicContact CG2-CB 3.97Å; I1895-E1899 WeakPolarHBondContact CG2-OE2 3.39Å; E1896-E1899 HydrophobicContact CB-CG 4.44Å; E1896-E1899 WeakPolarHBondContact O-CA 3.45Å; E1896-E1899 PolarHBondContact O-N 3.21Å; E1899-E1901 VanDerWaalsContact C-N 3.34Å; E1899-T1902 VanDerWaalsContact CA-OG1 3.26Å; E1899-T1902 WeakPolarHBondContact CA-OG1 3.34Å; E1899-T1902 CarbonylContact O-C 3.48Å; E1899-T1902 PolarHBondContact O-N 3.39Å; E1899-T1902 VanDerWaalsContact O-N 3.13Å; E1899-T1902 PolarHBondContact O-OG1 2.83Å; E1899-L1903 PolarHBondContact O-N 3.06Å
1900	I	43.7	Very low	39.9	Very low	106 Å²	106	117.4 Å²	117.4	54%	0.544	58%	0.58	S	S	.	*	H	α-helix	trans	-61.9	-42.1	165.5	-61.2	173.9	0	0	0	110.2	E1896 T1902 L1903 Q1904	E1896-I1900 PolarHBondContact O-N 2.95Å; I1900-T1902 VanDerWaalsContact C-N 3.31Å; I1900-T1902 PolarHBondContact O-N 2.8Å; I1900-L1903 PolarHBondContact O-N 2.63Å; I1900-Q1904 WeakPolarHBondContact O-CB 3.29Å; I1900-Q1904 PolarHBondContact O-N 3.17Å
1901	E	43	Very low	40.7	Very low	118 Å²	118	113.8 Å²	113.8	55%	0.551	56%	0.563	S	S	*	*	H	α-helix	trans	-64.3	-28.5	171.3	-77.6	-175.1	160.8	0	0	113.4	Q1897 R1898 E1899 R1905	Q1897-E1901 WeakPolarHBondContact O-CG 3.49Å; Q1897-E1901 PolarHBondContact O-N 2.69Å; R1898-E1901 CarbonylContact O-C 3.25Å; R1898-E1901 PolarHBondContact O-N 2.8Å; E1899-E1901 VanDerWaalsContact C-N 3.34Å; E1901-R1905 VanDerWaalsContact O-CB 3.25Å; E1901-R1905 WeakPolarHBondContact O-CB 3.42Å; E1901-R1905 WeakPolarHBondContact O-CD 3.2Å; E1901-R1905 WeakPolarHBondContact O-CG 3.48Å; E1901-R1905 PolarHBondContact O-N 3Å
1902	T	48.4	Very low	41.3	Very low	66 Å²	66	115.9 Å²	115.9	41%	0.405	56%	0.564	S	S	.	*	H	α-helix	trans	-80.4	-31.5	172.1	54.1	0	0	0	0	113.8	R1898 E1899 I1900 R1905 L1906	R1898-T1902 PolarHBondContact O-N 2.6Å; E1899-T1902 VanDerWaalsContact CA-OG1 3.26Å; E1899-T1902 WeakPolarHBondContact CA-OG1 3.34Å; E1899-T1902 CarbonylContact O-C 3.48Å; E1899-T1902 PolarHBondContact O-N 3.39Å; E1899-T1902 VanDerWaalsContact O-N 3.13Å; E1899-T1902 PolarHBondContact O-OG1 2.83Å; I1900-T1902 VanDerWaalsContact C-N 3.31Å; I1900-T1902 PolarHBondContact O-N 2.8Å; T1902-R1905 PolarHBondContact O-N 2.77Å; T1902-L1906 WeakPolarHBondContact O-CB 3.23Å; T1902-L1906 PolarHBondContact O-N 3.22Å
1903	L	44.7	Very low	41.7	Very low	85 Å²	85	117.3 Å²	117.3	45%	0.445	56%	0.56	S	S	.	*	H	α-helix	trans	-72.6	-43.6	175.2	-128.4	166.9	0	0	0	110	E1899 I1900 R1905 L1906 M1907	E1899-L1903 PolarHBondContact O-N 3.06Å; I1900-L1903 PolarHBondContact O-N 2.63Å; L1903-R1905 VanDerWaalsContact C-N 3.26Å; L1903-R1905 PolarHBondContact O-N 3.41Å; L1903-L1906 PolarHBondContact O-N 3.34Å; L1903-L1906 VanDerWaalsContact O-N 3.08Å; L1903-M1907 HydrophobicContact CD2-CG 4.34Å; L1903-M1907 HydrophobicContact CD2-SD 3.82Å; L1903-M1907 VanDerWaalsContact O-CG 3.27Å; L1903-M1907 WeakPolarHBondContact O-CG 3.14Å; L1903-M1907 PolarHBondContact O-N 3.44Å; L1903-M1907 VanDerWaalsContact O-SD 3.36Å
1904	Q	53.8	Low	42	Very low	127 Å²	127	119.5 Å²	119.5	59%	0.593	57%	0.567	S	S	*	*	H	α-helix	trans	-63.4	-31.6	171.4	-169.9	159.6	57.2	0	0	112	I1900 T1908	I1900-Q1904 WeakPolarHBondContact O-CB 3.29Å; I1900-Q1904 PolarHBondContact O-N 3.17Å; Q1904-T1908 PolarHBondContact O-N 2.84Å; Q1904-T1908 PolarHBondContact O-OG1 3.08Å
1905	R	52.8	Low	42.4	Very low	160 Å²	160	119.4 Å²	119.4	60%	0.604	55%	0.55	S	S	*	*	H	α-helix	trans	-70	-39.1	167.4	-86.5	171	153.5	157.5	-6.8	113.9	E1901 T1902 L1903 M1907 T1908 E1909	E1901-R1905 VanDerWaalsContact O-CB 3.25Å; E1901-R1905 WeakPolarHBondContact O-CB 3.42Å; E1901-R1905 WeakPolarHBondContact O-CD 3.2Å; E1901-R1905 WeakPolarHBondContact O-CG 3.48Å; E1901-R1905 PolarHBondContact O-N 3Å; T1902-R1905 PolarHBondContact O-N 2.77Å; L1903-R1905 VanDerWaalsContact C-N 3.26Å; L1903-R1905 PolarHBondContact O-N 3.41Å; R1905-M1907 VanDerWaalsContact C-N 3.31Å; R1905-T1908 PolarHBondContact O-N 2.89Å; R1905-T1908 PolarHBondContact O-OG1 3.27Å; R1905-E1909 VanDerWaalsContact O-CB 3.29Å; R1905-E1909 WeakPolarHBondContact O-CB 3.16Å; R1905-E1909 WeakPolarHBondContact O-CG 3.06Å; R1905-E1909 PolarHBondContact O-N 2.89Å
1906	L	54.5	Low	42.2	Very low	97 Å²	97	118.9 Å²	118.9	51%	0.508	55%	0.549	S	S	.	.	H	α-helix	trans	-67.4	-33.5	176	-91.2	159.3	0	0	0	112	T1902 L1903 R1910	T1902-L1906 WeakPolarHBondContact O-CB 3.23Å; T1902-L1906 PolarHBondContact O-N 3.22Å; L1903-L1906 PolarHBondContact O-N 3.34Å; L1903-L1906 VanDerWaalsContact O-N 3.08Å; L1906-R1910 WeakPolarHBondContact O-CB 3.26Å; L1906-R1910 WeakPolarHBondContact O-CG 3.21Å; L1906-R1910 PolarHBondContact O-N 2.85Å
1907	M	36.5	Very low	42	Very low	48 Å²	48	119.9 Å²	119.9	24%	0.236	56%	0.561	C	S	.	*	H	α-helix	trans	-69.8	-41.8	172.3	-67.2	152	70.6	0	0	111.1	I1350 D1351 L1903 R1905 R1910 L1911	I1350-M1907 HydrophobicContact CD1-CE 4.11Å; I1350-M1907 HydrophobicContact CD1-SD 4.05Å; I1350-M1907 HydrophobicContact CG1-CE 3.88Å; I1350-M1907 HydrophobicContact CG1-SD 4.32Å; I1350-M1907 HydrophobicContact CG2-CE 3.84Å; I1350-M1907 HydrophobicContact CG2-CG 3.74Å; I1350-M1907 HydrophobicContact CG2-SD 3.73Å; D1351-M1907 WeakPolarHBondContact OD2-CE 3.32Å; L1903-M1907 HydrophobicContact CD2-CG 4.34Å; L1903-M1907 HydrophobicContact CD2-SD 3.82Å; L1903-M1907 VanDerWaalsContact O-CG 3.27Å; L1903-M1907 WeakPolarHBondContact O-CG 3.14Å; L1903-M1907 PolarHBondContact O-N 3.44Å; L1903-M1907 VanDerWaalsContact O-SD 3.36Å; R1905-M1907 VanDerWaalsContact C-N 3.31Å; M1907-R1910 PolarHBondContact O-N 2.61Å; M1907-L1911 PolarHBondContact O-N 2.9Å
1908	T	50.3	Low	41.5	Very low	73 Å²	73	118.3 Å²	118.3	45%	0.448	56%	0.564	S	S	.	*	H	α-helix	trans	-73	-36.6	173.7	56.8	0	0	0	0	113.5	Q1904 R1905 R1910 L1911 E1912	Q1904-T1908 PolarHBondContact O-N 2.84Å; Q1904-T1908 PolarHBondContact O-OG1 3.08Å; R1905-T1908 PolarHBondContact O-N 2.89Å; R1905-T1908 PolarHBondContact O-OG1 3.27Å; T1908-R1910 VanDerWaalsContact C-N 3.27Å; T1908-R1910 PolarHBondContact O-N 3.23Å; T1908-L1911 PolarHBondContact O-N 2.88Å; T1908-E1912 WeakPolarHBondContact O-CB 3.46Å; T1908-E1912 WeakPolarHBondContact O-CG 2.99Å; T1908-E1912 PolarHBondContact O-N 3.29Å
1909	E	48.5	Very low	41	Very low	125 Å²	125	117 Å²	117	58%	0.584	57%	0.568	S	S	*	*	H	α-helix	trans	-61.3	-34.7	171.7	-80.1	-176.9	114	0	0	111.7	R1905	R1905-E1909 VanDerWaalsContact O-CB 3.29Å; R1905-E1909 WeakPolarHBondContact O-CB 3.16Å; R1905-E1909 WeakPolarHBondContact O-CG 3.06Å; R1905-E1909 PolarHBondContact O-N 2.89Å
1910	R	40.9	Very low	40.5	Very low	200 Å²	200	119 Å²	119	76%	0.755	58%	0.582	S	S	*	*	H	α-helix	trans	-74.6	-36.1	173.3	-82.2	-174	161.2	-168.3	-7.2	113.6	L1906 M1907 T1908	L1906-R1910 WeakPolarHBondContact O-CB 3.26Å; L1906-R1910 WeakPolarHBondContact O-CG 3.21Å; L1906-R1910 PolarHBondContact O-N 2.85Å; M1907-R1910 PolarHBondContact O-N 2.61Å; T1908-R1910 VanDerWaalsContact C-N 3.27Å; T1908-R1910 PolarHBondContact O-N 3.23Å
1911	L	43.1	Very low	39.8	Very low	66 Å²	66	119.9 Å²	119.9	35%	0.346	59%	0.587	S	S	.	*	H	α-helix	trans	-78.5	-22.4	177.9	-80.2	164.3	0	0	0	114.1	M1907 T1908	M1907-L1911 PolarHBondContact O-N 2.9Å; T1908-L1911 PolarHBondContact O-N 2.88Å
1912	E	41.8	Very low	39.3	Very low	142 Å²	142	121.5 Å²	121.5	66%	0.664	60%	0.595	S	S	*	*	H	α-helix	trans	-77.7	-23.4	171.5	-73.5	-169	126.1	0	0	113	T1908	T1908-E1912 WeakPolarHBondContact O-CB 3.46Å; T1908-E1912 WeakPolarHBondContact O-CG 2.99Å; T1908-E1912 PolarHBondContact O-N 3.29Å
1913	Y	36	Very low	38.4	Very low	205 Å²	205	126.4 Å²	126.4	80%	0.804	61%	0.613	S	S	*	*	H	α-helix	trans	-78.8	-19.5	-177.1	-146.8	-90.3	0	0	0	114.6
1914	L	31.7	Very low	37.9	Very low	151 Å²	151	129.3 Å²	129.3	79%	0.791	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	-1.1	176.3	-76.2	168.2	0	0	0	114.1
1915	R	35.9	Very low	37.1	Very low	104 Å²	104	130.2 Å²	130.2	39%	0.392	63%	0.629	S	S	.	*	S	Bend	trans	-98.3	-0.2	-177.3	-171.5	151.6	-90.7	83.7	13.4	114.8	D39	D39-R1915 IonicContact OD2-CZ 3.36Å; D39-R1915 IonicContact OD2-NE 3.14Å; D39-R1915 PolarHBondContact OD2-NE 2.64Å; D39-R1915 IonicContact OD2-NH2 3.77Å; D39-R1915 PolarHBondContact OD2-NH2 2.9Å
1916	N	31	Very low	36.2	Very low	118 Å²	118	129.1 Å²	129.1	63%	0.631	63%	0.631	S	S	*	*			trans	-135	45.5	-170.1	-79.9	-69.5	0	0	0	115.4
1917	T	29.4	Very low	35.2	Very low	115 Å²	115	131.1 Å²	131.1	71%	0.706	64%	0.637	S	S	*	*			trans	-140.8	109.2	162.7	47.7	0	0	0	0	107.9
1918	T	26.1	Very low	35.1	Very low	133 Å²	133	135.6 Å²	135.6	82%	0.816	66%	0.658	S	S	*	*			cis	-92.6	151.3	17.4	54.9	0	0	0	0	113.4
1919	N	29.2	Very low	34.3	Very low	122 Å²	122	141.9 Å²	141.9	65%	0.652	67%	0.673	S	S	*	*			cis	69	74.1	4.2	-109.8	-16	0	0	0	117.1
1920	N	28.9	Very low	33.4	Very low	139 Å²	139	141.7 Å²	141.7	74%	0.743	68%	0.681	S	S	*	*				-165.5	122.2	116.5	-107.1	-49.8	0	0	0	114.3
1921	N	30.1	Very low	33.2	Very low	123 Å²	123	139.2 Å²	139.2	66%	0.658	68%	0.681	S	S	*	*			trans	63.2	142.5	167.2	-55.3	-67.9	0	0	0	118.2
1922	Q	32.5	Very low	32.9	Very low	152 Å²	152	139 Å²	139	71%	0.71	68%	0.682	S	S	*	*			cis	-148.9	121.2	-17.3	-104.9	159.6	41.5	0	0	104.7
1923	Q	28.3	Very low	32.4	Very low	169 Å²	169	134.7 Å²	134.7	79%	0.79	67%	0.667	S	S	*	*				60	146.3	81.9	-72.3	-159.9	6.1	0	0	116.3
1924	Q	35.3	Very low	32.4	Very low	147 Å²	147	127.3 Å²	127.3	69%	0.687	64%	0.643	S	S	*	*			trans	80.3	107.3	168.8	-43.7	-161.2	21.5	0	0	114.7
1925	Q	36.6	Very low	33.1	Very low	146 Å²	146	126.5 Å²	126.5	68%	0.682	64%	0.635	S	S	*	*				98.9	142.5	86.3	-85.6	-173.6	62.3	0	0	110.9
1926	Q	33.5	Very low	33.3	Very low	137 Å²	137	127.9 Å²	127.9	64%	0.64	65%	0.646	S	S	*	*			cis	-165.8	162.8	-19	-130.3	179.7	42.8	0	0	107.9
1927	Q	33.2	Very low	33.9	Very low	139 Å²	139	125.5 Å²	125.5	65%	0.65	63%	0.633	S	S	*	*			trans	69.3	132.5	151.5	-70.5	-177.3	56.6	0	0	121.3
1928	Q	34.4	Very low	34.6	Very low	142 Å²	142	123.3 Å²	123.3	66%	0.664	61%	0.612	S	S	*	*			trans	88.3	108.2	142.2	-71.2	177.6	66.8	0	0	122.5
1929	R	34.9	Very low	36	Very low	205 Å²	205	123.4 Å²	123.4	77%	0.774	60%	0.603	S	S	*	*			trans	85	63.2	135.1	-61.5	178.2	-174.1	-119.4	0.1	120.5	I1931	R1929-I1931 PolarHBondContact O-N 3.49Å
1930	T	27.8	Very low	37.2	Very low	121 Å²	121	123.8 Å²	123.8	74%	0.742	60%	0.601	S	S	*	*				53.1	63	115.7	-39.3	0	0	0	0	117.6
1931	I	37.3	Very low	38.4	Very low	147 Å²	147	119.6 Å²	119.6	75%	0.754	58%	0.577	S	S	*	*			trans	-131.4	140.5	149.8	-57.6	-178.5	0	0	0	105.8	R1929	R1929-I1931 PolarHBondContact O-N 3.49Å
1932	T	37.3	Very low	39.4	Very low	61 Å²	61	115.9 Å²	115.9	37%	0.374	56%	0.556	S	S	.	*			trans	-81.5	151.3	-160.3	45.8	0	0	0	0	114.9	V1934	T1932-V1934 PolarHBondContact O-N 3.11Å
1933	P	30.6	Very low	40.4	Very low	53 Å²	53	115.1 Å²	115.1	34%	0.344	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72	-26.7	-155.7	-22	35	0	0	0	116	E1935 Q1936 I1937	P1933-E1935 VanDerWaalsContact C-N 3.29Å; P1933-E1935 PolarHBondContact O-N 3.01Å; P1933-Q1936 PolarHBondContact O-N 2.83Å; P1933-I1937 PolarHBondContact O-N 3.05Å
1934	V	36.7	Very low	41.6	Very low	50 Å²	50	113.1 Å²	113.1	30%	0.303	54%	0.542	S	S	.	.	H	α-helix	trans	-69.6	-21.4	-169.6	109	0	0	0	0	114.1	N32 N33 T1932 Y1938	N32-V1934 HydrophobicContact CB-CG1 4.22Å; N32-V1934 VanDerWaalsContact ND2-CG1 3.28Å; N32-V1934 WeakPolarHBondContact ND2-CG1 3.44Å; N33-V1934 WeakPolarHBondContact OD1-CB 3.41Å; N33-V1934 VanDerWaalsContact OD1-CG2 3.31Å; N33-V1934 WeakPolarHBondContact OD1-CG2 3.3Å; T1932-V1934 PolarHBondContact O-N 3.11Å; V1934-Y1938 WeakPolarHBondContact O-CB 3.29Å
1935	E	45.3	Very low	42.2	Very low	133 Å²	133	110.8 Å²	110.8	62%	0.621	53%	0.532	S	S	*	.	H	α-helix	trans	-84.2	-9.3	172.7	-75	-172.3	105.6	0	0	113.2	P1933 Q1939	P1933-E1935 VanDerWaalsContact C-N 3.29Å; P1933-E1935 PolarHBondContact O-N 3.01Å; E1935-Q1939 WeakPolarHBondContact O-CB 3.22Å
1936	Q	41.6	Very low	42.7	Very low	134 Å²	134	110.4 Å²	110.4	63%	0.626	53%	0.53	S	S	*	.	H	α-helix	trans	-91.2	-45.1	172.5	-73.4	-170.1	-63.9	0	0	112.9	P1933 Y1938 Q1939 Q1940	P1933-Q1936 PolarHBondContact O-N 2.83Å; Q1936-Y1938 VanDerWaalsContact C-N 3.28Å; Q1936-Y1938 PolarHBondContact O-N 2.93Å; Q1936-Q1939 CarbonylContact O-C 3.02Å; Q1936-Q1939 WeakPolarHBondContact O-CA 3.28Å; Q1936-Q1939 WeakPolarHBondContact O-CB 3.29Å; Q1936-Q1939 PolarHBondContact O-N 3.04Å; Q1936-Q1940 PolarHBondContact O-N 3.34Å
1937	I	43.4	Very low	43.4	Very low	68 Å²	68	110.9 Å²	110.9	35%	0.349	53%	0.532	S	S	.	.	H	α-helix	trans	-58.4	-45.3	176.6	-62	171.9	0	0	0	110	P1933 Q1939 Q1940 Q1941	P1933-I1937 PolarHBondContact O-N 3.05Å; I1937-Q1939 PolarHBondContact O-N 2.71Å; I1937-Q1939 VanDerWaalsContact O-N 3.09Å; I1937-Q1940 PolarHBondContact O-N 3.3Å; I1937-Q1941 WeakPolarHBondContact O-CB 3.47Å; I1937-Q1941 PolarHBondContact O-N 2.97Å
1938	Y	44	Very low	43.7	Very low	69 Å²	69	111.1 Å²	111.1	27%	0.271	53%	0.533	S	S	.	.	H	α-helix	trans	-58.2	-17.2	172.8	-168.5	-90	0	0	0	114.7	P1693 L1694 R1695 V1934 Q1936	P1693-Y1938 HydrophobicContact CG-CD2 4.44Å; L1694-Y1938 HydrophobicContact CB-CD2 4.4Å; L1694-Y1938 HydrophobicContact CB-CE2 4.45Å; L1694-Y1938 HydrophobicContact CD1-CD2 4.07Å; L1694-Y1938 HydrophobicContact CD1-CE1 4.41Å; L1694-Y1938 HydrophobicContact CD1-CE2 3.33Å; L1694-Y1938 HydrophobicContact CD2-CD1 3.58Å; L1694-Y1938 HydrophobicContact CD2-CD2 3.95Å; L1694-Y1938 HydrophobicContact CD2-CE1 3.18Å; L1694-Y1938 HydrophobicContact CD2-CE2 3.63Å; L1694-Y1938 HydrophobicContact CD2-CG 3.95Å; L1694-Y1938 HydrophobicContact CG-CD2 4.29Å; L1694-Y1938 HydrophobicContact CG-CE1 4.31Å; L1694-Y1938 HydrophobicContact CG-CE2 3.9Å; R1695-Y1938 PolarHBondContact NH1-OH 2.63Å; V1934-Y1938 WeakPolarHBondContact O-CB 3.29Å; Q1936-Y1938 VanDerWaalsContact C-N 3.28Å; Q1936-Y1938 PolarHBondContact O-N 2.93Å
1939	Q	54.2	Low	44	Very low	134 Å²	134	110.5 Å²	110.5	63%	0.626	53%	0.534	S	S	*	.	H	α-helix	trans	-103.6	-28.7	178.8	-175.3	162.3	82.9	0	0	112.2	E1935 Q1936 I1937	E1935-Q1939 WeakPolarHBondContact O-CB 3.22Å; Q1936-Q1939 CarbonylContact O-C 3.02Å; Q1936-Q1939 WeakPolarHBondContact O-CA 3.28Å; Q1936-Q1939 WeakPolarHBondContact O-CB 3.29Å; Q1936-Q1939 PolarHBondContact O-N 3.04Å; I1937-Q1939 PolarHBondContact O-N 2.71Å; I1937-Q1939 VanDerWaalsContact O-N 3.09Å
1940	Q	56.3	Low	44.3	Very low	131 Å²	131	109.2 Å²	109.2	61%	0.612	53%	0.534	S	S	*	.	H	α-helix	trans	-74.6	-38.4	171.7	-168.7	170.7	9.3	0	0	111.7	Q1936 I1937 Q1942 Q1943 Q1944	Q1936-Q1940 PolarHBondContact O-N 3.34Å; I1937-Q1940 PolarHBondContact O-N 3.3Å; Q1940-Q1942 VanDerWaalsContact C-N 3.28Å; Q1940-Q1942 PolarHBondContact O-N 2.82Å; Q1940-Q1943 WeakPolarHBondContact O-CA 3.24Å; Q1940-Q1943 WeakPolarHBondContact O-CB 3.45Å; Q1940-Q1943 PolarHBondContact O-N 3.44Å; Q1940-Q1944 PolarHBondContact O-N 3.27Å
1941	Q	53	Low	44.7	Very low	50 Å²	50	106.8 Å²	106.8	23%	0.234	53%	0.527	C	S	.	.	H	α-helix	trans	-67.5	-28.2	176.2	-156.8	153.4	32.5	0	0	112.2	S1691 G1692 P1693 I1937 Q1943 Q1945	S1691-Q1941 PolarHBondContact O-NE2 3.39Å; G1692-Q1941 VanDerWaalsContact CA-OE1 3.28Å; P1693-Q1941 WeakPolarHBondContact O-CG 3.16Å; P1693-Q1941 PolarHBondContact O-OE1 3.03Å; I1937-Q1941 WeakPolarHBondContact O-CB 3.47Å; I1937-Q1941 PolarHBondContact O-N 2.97Å; Q1941-Q1943 PolarHBondContact O-N 3.19Å; Q1941-Q1945 PolarHBondContact O-N 3.23Å
1942	Q	51.9	Low	44.9	Very low	46 Å²	46	103.7 Å²	103.7	22%	0.215	52%	0.518	C	S	.	.	H	α-helix	trans	-71.5	-7.4	167.5	-73.6	-155.1	-56.5	0	0	114.3	L1694 R1695 D1696 Q1940	L1694-Q1942 HydrophobicContact CD2-CG 4.29Å; R1695-Q1942 PolarHBondContact O-NE2 2.77Å; D1696-Q1942 PolarHBondContact OD2-NE2 3.26Å; Q1940-Q1942 VanDerWaalsContact C-N 3.28Å; Q1940-Q1942 PolarHBondContact O-N 2.82Å
1943	Q	53.2	Low	44.9	Very low	135 Å²	135	104.4 Å²	104.4	63%	0.631	53%	0.53	S	S	*	.	H	α-helix	trans	-97.2	-37.6	171.7	-73.5	-169.2	-41.9	0	0	113.3	Q1940 Q1941 Q1945 Q1946	Q1940-Q1943 WeakPolarHBondContact O-CA 3.24Å; Q1940-Q1943 WeakPolarHBondContact O-CB 3.45Å; Q1940-Q1943 PolarHBondContact O-N 3.44Å; Q1941-Q1943 PolarHBondContact O-N 3.19Å; Q1943-Q1945 VanDerWaalsContact C-N 3.33Å; Q1943-Q1945 PolarHBondContact O-N 2.91Å; Q1943-Q1946 WeakPolarHBondContact O-CB 3.35Å; Q1943-Q1946 PolarHBondContact O-N 3.16Å
1944	Q	52.2	Low	45.2	Very low	127 Å²	127	111.2 Å²	111.2	59%	0.593	56%	0.555	S	S	*	*	H	α-helix	trans	-64	-37.6	174.8	-89.3	176.5	-48.3	0	0	112.4	Q1940 Q1946 Q1947 E1948	Q1940-Q1944 PolarHBondContact O-N 3.27Å; Q1944-Q1946 PolarHBondContact O-N 3.41Å; Q1944-Q1947 PolarHBondContact O-N 3.05Å; Q1944-E1948 PolarHBondContact O-N 3.21Å
1945	Q	49	Very low	45.3	Very low	98 Å²	98	114.1 Å²	114.1	46%	0.458	58%	0.577	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63	-7.8	171.3	-71.1	-162.1	-20.7	0	0	114.4	Q1941 Q1943	Q1941-Q1945 PolarHBondContact O-N 3.23Å; Q1943-Q1945 VanDerWaalsContact C-N 3.33Å; Q1943-Q1945 PolarHBondContact O-N 2.91Å
1946	Q	47.6	Very low	44.9	Very low	139 Å²	139	111 Å²	111	65%	0.65	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	-5.7	172.5	-63.9	-173.7	6.3	0	0	114	Q1943 Q1944	Q1943-Q1946 WeakPolarHBondContact O-CB 3.35Å; Q1943-Q1946 PolarHBondContact O-N 3.16Å; Q1944-Q1946 PolarHBondContact O-N 3.41Å
1947	Q	47.3	Very low	44.8	Very low	147 Å²	147	109.7 Å²	109.7	69%	0.687	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.8	-40.6	175.8	-71.7	-175.5	-39	0	0	112.5	Q1944 L1949 F1950 A1951	Q1944-Q1947 PolarHBondContact O-N 3.05Å; Q1947-L1949 VanDerWaalsContact C-N 3.31Å; Q1947-L1949 PolarHBondContact O-N 3.04Å; Q1947-F1950 PolarHBondContact O-N 2.67Å; Q1947-A1951 PolarHBondContact O-N 2.89Å
1948	E	40.3	Very low	44	Very low	143 Å²	143	114.2 Å²	114.2	67%	0.668	59%	0.59	S	S	*	*	H	α-helix	trans	-69.1	-29.7	177.1	-63.4	-176.9	140.1	0	0	112.9	Q1944 F1950 A1951 S1952	Q1944-E1948 PolarHBondContact O-N 3.21Å; E1948-F1950 PolarHBondContact O-N 2.71Å; E1948-A1951 PolarHBondContact O-N 3.34Å; E1948-S1952 PolarHBondContact O-N 3.12Å; E1948-S1952 PolarHBondContact O-OG 3.38Å
1949	L	40.5	Very low	43.5	Very low	130 Å²	130	115.9 Å²	115.9	68%	0.681	62%	0.618	S	S	*	*	H	α-helix	trans	-69.4	-10.5	171.1	-99.1	168.3	0	0	0	114	Q1947	Q1947-L1949 VanDerWaalsContact C-N 3.31Å; Q1947-L1949 PolarHBondContact O-N 3.04Å
1950	F	40.1	Very low	42.3	Very low	177 Å²	177	114.6 Å²	114.6	78%	0.776	62%	0.623	S	S	*	*	H	α-helix	trans	-98.8	-16.9	171.4	-104.6	-82.2	0	0	0	113.6	Q1947 E1948	Q1947-F1950 PolarHBondContact O-N 2.67Å; E1948-F1950 PolarHBondContact O-N 2.71Å
1951	A	37.7	Very low	41.1	Very low	71 Å²	71	114 Å²	114	59%	0.587	62%	0.616	S	S	*	*	H	α-helix	trans	-91.4	-40.3	-179.8	0	0	0	0	0	113	Q1947 E1948 A1953	Q1947-A1951 PolarHBondContact O-N 2.89Å; E1948-A1951 PolarHBondContact O-N 3.34Å; A1951-A1953 PolarHBondContact O-N 3Å
1952	S	41	Very low	40	Very low	82 Å²	82	118.6 Å²	118.6	57%	0.573	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-74.3	-22.9	-177	49.6	0	0	0	0	114.3	E1948 F1954	E1948-S1952 PolarHBondContact O-N 3.12Å; E1948-S1952 PolarHBondContact O-OG 3.38Å; S1952-F1954 PolarHBondContact O-N 2.76Å
1953	A	38	Very low	38.8	Very low	76 Å²	76	124.9 Å²	124.9	63%	0.628	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-73.2	-6.5	-179.6	0	0	0	0	0	114.7	A1951	A1951-A1953 PolarHBondContact O-N 3Å
1954	F	35.6	Very low	37.5	Very low	196 Å²	196	123.5 Å²	123.5	86%	0.86	68%	0.676	S	S	*	*	G	3₁₀ helix	trans	-99	-0.4	-177.7	-154.2	-102.5	0	0	0	114.1	S1952	S1952-F1954 PolarHBondContact O-N 2.76Å
1955	S	38.6	Very low	36.3	Very low	111 Å²	111	124.4 Å²	124.4	78%	0.776	68%	0.683	S	S	*	*	S	Bend	trans	-112.8	22.3	177.9	-58.7	0	0	0	0	113.3
1956	A	38.5	Very low	35.3	Very low	68 Å²	68	123.3 Å²	123.3	56%	0.562	69%	0.686	S	S	*	*			trans	-78.7	-167.3	168.4	0	0	0	0	0	111.4	M1958	A1956-M1958 VanDerWaalsContact C-N 3.32Å; A1956-M1958 PolarHBondContact O-N 3.35Å
1957	E	37.9	Very low	34.4	Very low	105 Å²	105	120.2 Å²	120.2	49%	0.491	68%	0.68	S	S	.	*	S	Bend	trans	70.9	-7.9	151.8	-161.1	145.6	-137.2	0	0	119.6	L2445 Q2446	E1957-L2445 WeakPolarHBondContact OE1-CA 3.17Å; E1957-L2445 PolarHBondContact OE1-N 3.21Å; E1957-Q2446 VanDerWaalsContact CG-O 3.27Å; E1957-Q2446 WeakPolarHBondContact CG-O 3.34Å; E1957-Q2446 PolarHBondContact OE1-N 3.39Å
1958	M	27.9	Very low	33.4	Very low	163 Å²	163	118.3 Å²	118.3	80%	0.803	67%	0.674	S	S	*	*	S	Bend	trans	-104.3	-21.1	-174.8	-138.3	174.8	-164	0	0	118.1	A1956	A1956-M1958 VanDerWaalsContact C-N 3.32Å; A1956-M1958 PolarHBondContact O-N 3.35Å
1959	A	32.2	Very low	32.6	Very low	105 Å²	105	117.3 Å²	117.3	87%	0.868	67%	0.674	S	S	*	*	S	Bend	trans	-100.2	-4	-168.9	0	0	0	0	0	116.6	R1961	A1959-R1961 PolarHBondContact O-N 2.95Å
1960	S	30.6	Very low	31.8	Very low	106 Å²	106	120.3 Å²	120.3	74%	0.741	68%	0.677	S	S	*	*			trans	-87.4	22.5	-163	61.9	0	0	0	0	116.6
1961	R	29.4	Very low	31	Very low	119 Å²	119	116.4 Å²	116.4	45%	0.449	67%	0.672	S	S	.	*			trans	-143.2	110.2	-164.5	-65	175.9	73.4	176.6	-4.3	115.2	A1959 N2447 L2448	A1959-R1961 PolarHBondContact O-N 2.95Å; R1961-N2447 PolarHBondContact NH1-OD1 3.4Å; R1961-L2448 HydrophobicContact CB-CD1 3.91Å; R1961-L2448 HydrophobicContact CB-CD2 3.84Å; R1961-L2448 HydrophobicContact CB-CG 3.54Å; R1961-L2448 HydrophobicContact CG-CG 4.14Å
1962	L	29.7	Very low	30.3	Very low	147 Å²	147	119.3 Å²	119.3	77%	0.77	68%	0.678	S	S	*	*			trans	115.6	150.6	156.5	-63.6	171.8	0	0	0	117.9	L2448	L1962-L2448 HydrophobicContact CD1-CD1 3.85Å; L1962-L2448 HydrophobicContact CD1-CD2 4.29Å; L1962-L2448 HydrophobicContact CG-CD1 4.2Å
1963	E	27.7	Very low	29.5	Very low	177 Å²	177	122.5 Å²	122.5	83%	0.827	68%	0.683	S	S	*	*			trans	-123.1	175.7	-160.8	-57.5	153.1	107.4	0	0	112.6
1964	S	26.3	Very low	28.7	Very low	106 Å²	106	124.7 Å²	124.7	74%	0.741	69%	0.685	S	S	*	*			trans	106.2	127.9	138.8	80.8	0	0	0	0	122.3
1965	I	26.7	Very low	28.2	Very low	147 Å²	147	122.5 Å²	122.5	75%	0.754	68%	0.681	S	S	*	*			trans	82.5	90.9	146.1	-57.9	152.7	0	0	0	121.3
1966	S	28.1	Very low	27.6	Very low	75 Å²	75	125.7 Å²	125.7	52%	0.524	68%	0.683	S	S	.	*				33.4	133	120.2	-48.8	0	0	0	0	126.4
1967	S	27.8	Very low	26.9	Very low	73 Å²	73	130.9 Å²	130.9	51%	0.51	69%	0.693	S	S	.	*				96.6	128.1	125.3	-77.2	0	0	0	0	124.4
1968	N	26.2	Very low	26.3	Very low	107 Å²	107	131 Å²	131	57%	0.572	70%	0.703	S	S	*	*			trans	74.9	145.9	146.9	-56.6	-7.4	0	0	0	118.5	Q2462	N1968-Q2462 PolarHBondContact ND2-OE1 3.41Å
1969	N	24	Very low	26.2	Very low	122 Å²	122	130.6 Å²	130.6	65%	0.652	70%	0.703	S	S	*	*			cis	-173.8	165.5	23.8	-131.4	-17.6	0	0	0	112.7
1970	Y	23.9	Very low	25.9	Very low	193 Å²	193	129.8 Å²	129.8	76%	0.757	69%	0.691	S	S	*	*			trans	57.1	106.8	154.3	-74	-63.7	0	0	0	124.8
1971	S	22.5	Very low	25.7	Very low	95 Å²	95	134.4 Å²	134.4	66%	0.664	70%	0.698	S	S	*	*				61.9	136.3	114.3	-77.6	0	0	0	0	125
1972	N	23	Very low	25.5	Very low	133 Å²	133	135.6 Å²	135.6	71%	0.711	71%	0.714	S	S	*	*			trans	106.9	123.4	130.7	-86.2	17.2	0	0	0	120.9
1973	Q	24.1	Very low	25.4	Very low	148 Å²	148	134 Å²	134	69%	0.692	71%	0.706	S	S	*	*			trans	87.8	104.2	138.1	-70.3	-173.8	-94.6	0	0	121.5
1974	D	22.5	Very low	25.3	Very low	123 Å²	123	127.7 Å²	127.7	66%	0.658	68%	0.681	S	S	*	*				80.9	150	121.6	-52.8	-24.9	0	0	0	120.3
1975	I	25.5	Very low	25.3	Very low	150 Å²	150	129.4 Å²	129.4	77%	0.769	68%	0.677	S	S	*	*			trans	85.5	81.3	162.3	-55.9	140	0	0	0	117.6
1976	Q	26.1	Very low	25.2	Very low	177 Å²	177	125 Å²	125	83%	0.827	66%	0.658	S	S	*	*				81.7	105.1	109.9	-154.3	160.3	-0.9	0	0	120.8
1977	F	22.9	Very low	25	Very low	177 Å²	177	129.6 Å²	129.6	78%	0.776	67%	0.671	S	S	*	*			trans	-34.7	150.9	153.3	-77.5	-80.6	0	0	0	115.1
1978	P	26	Very low	24.9	Very low	107 Å²	107	128.4 Å²	128.4	70%	0.695	66%	0.661	S	S	*	*				-144.6	164.8	60.8	41.3	-23.3	0	0	0	119.3
1979	L	25.3	Very low	25	Very low	155 Å²	155	128.7 Å²	128.7	81%	0.812	67%	0.667	S	S	*	*			trans	20.2	145.3	132.5	-45.9	169.5	0	0	0	118.8
1980	S	25.5	Very low	25.1	Very low	88 Å²	88	130.1 Å²	130.1	62%	0.615	68%	0.675	S	S	*	*			cis	-158	179.9	38.6	-65.2	0	0	0	0	114.3
1981	F	27.1	Very low	25.2	Very low	203 Å²	203	124.5 Å²	124.5	89%	0.89	68%	0.675	S	S	*	*			trans	99.9	131.7	159.7	-60.3	-71.2	0	0	0	118
1982	N	24.4	Very low	25.4	Very low	144 Å²	144	123 Å²	123	77%	0.77	67%	0.669	S	S	*	*			trans	-108.9	147.6	-164.5	-65	-50.1	0	0	0	111.4
1983	L	28.2	Very low	25.6	Very low	115 Å²	115	119.7 Å²	119.7	60%	0.602	65%	0.65	S	S	*	*			trans	-151.7	121.4	160.5	-132.9	79	0	0	0	105.8	R1396 I1397	R1396-L1983 HydrophobicContact CB-CD1 3.99Å; R1396-L1983 HydrophobicContact CB-CD2 3.88Å; R1396-L1983 HydrophobicContact CB-CG 4.23Å; I1397-L1983 HydrophobicContact CD1-CD1 3.65Å; I1397-L1983 HydrophobicContact CG1-CD1 3.91Å
1984	S	25.2	Very low	25.7	Very low	43 Å²	43	117.5 Å²	117.5	30%	0.301	65%	0.646	S	S	.	*			trans	-94.9	139.8	-159.4	37.4	0	0	0	0	115.1	I1397 A1400	I1397-S1984 VanDerWaalsContact CG2-OG 3.26Å; I1397-S1984 WeakPolarHBondContact CG2-OG 3.48Å; I1397-S1984 PolarHBondContact O-OG 2.92Å; A1400-S1984 VanDerWaalsContact CB-O 3.26Å; A1400-S1984 WeakPolarHBondContact CB-O 3.12Å
1985	H	27.1	Very low	25.9	Very low	143 Å²	143	114.3 Å²	114.3	66%	0.662	63%	0.634	S	S	*	*			trans	70	173.6	163.2	-62.6	-53.2	0	0	0	115.9	A1400 T1401	A1400-H1985 HydrophobicContact CB-CB 4.28Å; T1401-H1985 HydrophobicContact CG2-CB 3.69Å; T1401-H1985 WeakPolarHBondContact OG1-CB 3.5Å; T1401-H1985 PolarHBondContact OG1-CD2 3.42Å
1986	C	23.8	Very low	26	Very low	53 Å²	53	110.4 Å²	110.4	36%	0.358	62%	0.624	S	S	.	*			cis	-147.4	137.2	18.3	177.4	0	0	0	0	113.3	A1400 T1401	A1400-C1986 HydrophobicContact CB-CB 4.2Å; T1401-C1986 HydrophobicContact CG2-CB 4Å; T1401-C1986 WeakPolarHBondContact CG2-SG 3.25Å
1987	E	24.7	Very low	26	Very low	172 Å²	172	106.5 Å²	106.5	80%	0.804	61%	0.612	S	S	*	*			trans	-147.5	100.2	-177.8	-63.2	-170.6	124.8	0	0	113.9	T1989	E1987-T1989 PolarHBondContact O-N 3.36Å
1988	T	25.5	Very low	26.2	Very low	49 Å²	49	102.9 Å²	102.9	30%	0.301	60%	0.601	S	S	.	*			trans	-93.2	77.3	177.2	-55.6	0	0	0	0	113.2	E1403 S1404	E1403-T1988 HydrophobicContact CB-CG2 4.46Å; E1403-T1988 WeakPolarHBondContact CB-OG1 3.24Å; E1403-T1988 WeakPolarHBondContact OE2-CB 3.41Å; E1403-T1988 PolarHBondContact OE2-OG1 3.37Å; S1404-T1988 WeakPolarHBondContact CB-OG1 3.29Å
1989	T	27	Very low	26.3	Very low	112 Å²	112	101.1 Å²	101.1	69%	0.687	59%	0.591	S	S	*	*			trans	-115.9	102	173.5	57.8	0	0	0	0	114.2	E1987	E1987-T1989 PolarHBondContact O-N 3.36Å
1990	N	26	Very low	26.3	Very low	153 Å²	153	99.1 Å²	99.1	82%	0.818	58%	0.58	S	S	*	*				42.1	89.5	128	-58.3	-56.7	0	0	0	118.5
1991	G	27.5	Very low	26.4	Very low	74 Å²	74	97.1 Å²	97.1	76%	0.763	57%	0.566	S	S	*	*			trans	-164.2	93.2	172.1	0	0	0	0	0	116.6
1992	A	25.4	Very low	26.4	Very low	64 Å²	64	92 Å²	92	53%	0.529	55%	0.551	S	S	.	*			trans	-98	95.7	-176.1	0	0	0	0	0	114.2
1993	M	27.4	Very low	26.6	Very low	64 Å²	64	92.3 Å²	92.3	32%	0.315	54%	0.542	S	S	.	.			trans	-123.8	121.1	-179	-69	179.8	100.5	0	0	113.8	L574 A575 T578	L574-M1993 VanDerWaalsContact C-CE 3.48Å; L574-M1993 WeakPolarHBondContact O-CE 3.49Å; A575-M1993 HydrophobicContact CB-CB 4.06Å; A575-M1993 HydrophobicContact CB-CG 4.46Å; T578-M1993 WeakPolarHBondContact OG1-CE 3.09Å
1994	T	27.2	Very low	26.6	Very low	101 Å²	101	90.9 Å²	90.9	62%	0.62	54%	0.539	S	S	*	.			trans	-110.4	118.2	-174	55.9	0	0	0	0	116.7	A575	A575-T1994 VanDerWaalsContact CB-O 3.31Å; A575-T1994 WeakPolarHBondContact CB-O 3.36Å; A575-T1994 WeakPolarHBondContact CB-OG1 3.14Å
1995	S	27.2	Very low	26.6	Very low	57 Å²	57	92.4 Å²	92.4	40%	0.399	55%	0.547	S	S	.	.			trans	-164	144.4	165.4	45.9	0	0	0	0	110.6	Q579	Q579-S1995 VanDerWaalsContact CB-CB 3.49Å; Q579-S1995 WeakPolarHBondContact CB-OG 3.24Å; Q579-S1995 PolarHBondContact OE1-OG 3.08Å
1996	A	26.7	Very low	26.6	Very low	68 Å²	68	89.6 Å²	89.6	56%	0.562	55%	0.549	S	S	*	.			cis	83	131.4	36.3	0	0	0	0	0	112.8	Q579	Q579-A1996 PolarHBondContact NE2-O 3.48Å; Q579-A1996 PolarHBondContact OE1-O 3.37Å; Q579-A1996 VanDerWaalsContact OE1-O 3.04Å
1997	V	26.8	Very low	26.6	Very low	95 Å²	95	91.4 Å²	91.4	58%	0.576	56%	0.561	S	S	*	*			cis	-163.3	169	6.4	102.8	0	0	0	0	112.2	V480	V480-V1997 WeakPolarHBondContact CG2-O 3.4Å
1998	N	26.4	Very low	26.7	Very low	101 Å²	101	87.8 Å²	87.8	54%	0.54	55%	0.547	S	S	.	.			trans	69.5	121.9	176.2	-62	-36.1	0	0	0	117	V480	V480-N1998 HydrophobicContact CG2-CB 4.27Å
1999	S	28	Very low	26.8	Very low	69 Å²	69	92.4 Å²	92.4	48%	0.483	57%	0.565	S	S	.	*				-151.6	174.8	71.1	-82.6	0	0	0	0	115	E477 V478	E477-S1999 WeakPolarHBondContact CA-OG 2.9Å; V478-S1999 PolarHBondContact N-OG 3.3Å; V478-S1999 PolarHBondContact O-OG 3.46Å
2000	I	25.5	Very low	27	Very low	114 Å²	114	91.4 Å²	91.4	59%	0.585	56%	0.555	S	S	*	*			trans	-116.5	138.1	-162	-48	157.2	0	0	0	112.1	K476	K476-I2000 CarbonylContact C-O 3.15Å; K476-I2000 WeakPolarHBondContact O-CA 3.36Å; K476-I2000 WeakPolarHBondContact O-CB 3.37Å; K476-I2000 PolarHBondContact O-N 2.72Å
2001	S	26.5	Very low	27	Very low	45 Å²	45	88.2 Å²	88.2	32%	0.315	54%	0.543	S	S	.	.				156.5	122.2	114.6	-170.7	0	0	0	0	119	K476 R1415	K476-S2001 PolarHBondContact NZ-OG 3.25Å; R1415-S2001 PolarHBondContact NE-O 3.29Å
2002	T	28.7	Very low	27.1	Very low	96 Å²	96	89.9 Å²	89.9	59%	0.589	53%	0.53	S	S	*	.			trans	92.3	146.1	148.2	46	0	0	0	0	122.8	R1415	R1415-T2002 VanDerWaalsContact CZ-O 3.26Å; R1415-T2002 VanDerWaalsContact CZ-OG1 3.26Å; R1415-T2002 PolarHBondContact NE-O 2.86Å; R1415-T2002 VanDerWaalsContact NH2-C 3.25Å; R1415-T2002 PolarHBondContact NH2-O 3.19Å; R1415-T2002 PolarHBondContact NH2-OG1 2.9Å; R1415-T2002 VanDerWaalsContact NH2-OG1 3.16Å
2003	R	28.4	Very low	27.2	Very low	151 Å²	151	90.7 Å²	90.7	57%	0.57	53%	0.526	S	S	*	.			trans	-49.6	162.8	-176.4	-58.7	-179.7	172.8	-179.5	-5.3	116.7	R1415 S1759 T2005	R1415-R2003 PolarHBondContact NH2-O 2.88Å; S1759-R2003 PolarHBondContact O-NH2 2.86Å; R2003-T2005 HydrophobicContact CG-CG2 4.49Å
2004	P	27.5	Very low	27.2	Very low	84 Å²	84	91.7 Å²	91.7	55%	0.545	54%	0.536	S	S	.	.				-125.1	173.9	85.9	39.5	-33.8	0	0	0	114.2
2005	T	26.5	Very low	27.1	Very low	75 Å²	75	98.1 Å²	98.1	46%	0.46	55%	0.549	S	S	.	.			trans	-162.6	147.2	-171.7	49.9	0	0	0	0	110.6	R2003	R2003-T2005 HydrophobicContact CG-CG2 4.49Å
2006	A	26.8	Very low	27.1	Very low	85 Å²	85	105.3 Å²	105.3	70%	0.702	57%	0.573	S	S	*	*			cis	-171.6	160.6	-15.8	0	0	0	0	0	108.2
2007	S	23.8	Very low	26.9	Very low	90 Å²	90	107 Å²	107	63%	0.629	58%	0.581	S	S	*	*			trans	-149.8	146.8	-178.7	-72.4	0	0	0	0	113.3
2008	I	25.7	Very low	26.9	Very low	97 Å²	97	111.2 Å²	111.2	50%	0.497	59%	0.594	S	S	.	*			trans	61.4	110.9	160	-51.7	148.7	0	0	0	118.3	A236 I238 L2010	A236-I2008 HydrophobicContact CB-CG2 4.39Å; I238-I2008 HydrophobicContact CD1-CD1 3.83Å; I238-I2008 HydrophobicContact CD1-CG1 4.39Å; I238-I2008 HydrophobicContact CG1-CD1 3.89Å; I238-I2008 HydrophobicContact CG1-CG1 3.88Å; I2008-L2010 HydrophobicContact CG2-CD1 3.97Å
2009	Q	28.5	Very low	26.7	Very low	145 Å²	145	111.2 Å²	111.2	68%	0.678	60%	0.602	S	S	*	*			trans	-163.4	98.9	145.2	-160.6	76.6	6.6	0	0	105.5
2010	L	29.9	Very low	26.6	Very low	92 Å²	92	116 Å²	116	48%	0.482	62%	0.621	S	S	.	*				47.6	126.5	103.2	-83.6	89.6	0	0	0	115.7	A236 I2008	A236-L2010 HydrophobicContact CB-CB 4.43Å; A236-L2010 HydrophobicContact CB-CD1 3.56Å; A236-L2010 HydrophobicContact CB-CG 3.86Å; I2008-L2010 HydrophobicContact CG2-CD1 3.97Å
2011	P	26.7	Very low	26.5	Very low	86 Å²	86	118.5 Å²	118.5	56%	0.558	63%	0.63	S	S	*	*			trans	-69.7	139.5	167.4	31.3	-33	0	0	0	110.2	I234	I234-P2011 WeakPolarHBondContact O-CD 3.23Å; I234-P2011 WeakPolarHBondContact O-CG 3.35Å
2012	Q	29	Very low	26.3	Very low	108 Å²	108	120.9 Å²	120.9	51%	0.505	65%	0.646	S	S	.	*			trans	-129.7	87	173.2	-76.5	-174.1	-21.3	0	0	110.1	T1753	T1753-Q2012 HydrophobicContact CG2-CB 3.66Å; T1753-Q2012 PolarHBondContact N-O 2.66Å; T1753-Q2012 PolarHBondContact OG1-O 2.71Å
2013	N	28.7	Very low	26.1	Very low	81 Å²	81	123.2 Å²	123.2	43%	0.433	65%	0.654	S	S	.	*	S	Bend	trans	-112.8	141.1	154.2	-103.8	-31.1	0	0	0	108.2	E181 G1752	E181-N2013 PolarHBondContact OE1-ND2 2.73Å; G1752-N2013 WeakPolarHBondContact CA-OD1 3.14Å
2014	T	26.5	Very low	26	Very low	85 Å²	85	121.6 Å²	121.6	52%	0.521	66%	0.661	S	S	.	*			trans	44.6	70.6	172.1	58.1	0	0	0	0	117
2015	R	26.2	Very low	26.1	Very low	236 Å²	236	119.9 Å²	119.9	89%	0.891	65%	0.65	S	S	*	*			trans	-110.1	126.2	146.8	-100.7	-164	179.6	-160	-0.2	110.1	S2017	R2015-S2017 PolarHBondContact O-N 2.81Å
2016	F	25.9	Very low	26	Very low	208 Å²	208	120.2 Å²	120.2	91%	0.912	65%	0.649	S	S	*	*			trans	-57	129.4	153.8	-84	-106.1	0	0	0	109.1
2017	S	23.8	Very low	26	Very low	104 Å²	104	121.3 Å²	121.3	73%	0.727	64%	0.642	S	S	*	*			trans	-178.2	76.3	159.7	-80.8	0	0	0	0	111.9	R2015	R2015-S2017 PolarHBondContact O-N 2.81Å
2018	Q	25.8	Very low	26.1	Very low	183 Å²	183	122 Å²	122	86%	0.855	64%	0.643	S	S	*	*			trans	-141.3	105.8	147.2	-69.6	-166.3	-4.9	0	0	106.4
2019	S	23.1	Very low	26.2	Very low	102 Å²	102	123.1 Å²	123.1	71%	0.713	65%	0.65	S	S	*	*				69	52.9	65.7	84.2	0	0	0	0	113.4
2020	I	25.3	Very low	26	Very low	170 Å²	170	125.7 Å²	125.7	87%	0.872	65%	0.654	S	S	*	*			trans	-85.5	105.1	147.1	-72.1	178.3	0	0	0	107.2
2021	Q	23.3	Very low	25.9	Very low	165 Å²	165	127.6 Å²	127.6	77%	0.771	66%	0.658	S	S	*	*			trans	-24.5	155.2	147.2	-60.6	179.5	-92.2	0	0	114.4
2022	C	22.7	Very low	26	Very low	96 Å²	96	126.5 Å²	126.5	65%	0.649	65%	0.651	S	S	*	*			cis	-171.3	168.4	-7	-101.1	0	0	0	0	105.3
2023	N	25.2	Very low	25.8	Very low	144 Å²	144	126 Å²	126	77%	0.77	65%	0.651	S	S	*	*			trans	65.5	89	171.8	-51.8	12.6	0	0	0	111.7
2024	T	25.7	Very low	25.6	Very low	117 Å²	117	126.6 Å²	126.6	72%	0.718	65%	0.654	S	S	*	*				45.7	158.5	54.5	31.7	0	0	0	0	114.4
2025	P	28.5	Very low	25.9	Very low	48 Å²	48	127.2 Å²	127.2	31%	0.312	66%	0.66	S	S	.	*			cis	-124	-58.8	8.4	2.8	24	0	0	0	121.6	E53	E53-P2025 WeakPolarHBondContact O-CD 3.5Å
2026	L	26.1	Very low	25.9	Very low	83 Å²	83	120.6 Å²	120.6	44%	0.435	65%	0.649	S	S	.	*			trans	-148.7	130.7	-142.6	-81.9	169.4	0	0	0	118.4	D54	D54-L2026 VanDerWaalsContact CB-N 3.29Å; D54-L2026 WeakPolarHBondContact CB-O 3.31Å; D54-L2026 PolarHBondContact OD2-N 2.9Å
2027	L	26.3	Very low	25.8	Very low	107 Å²	107	117.2 Å²	117.2	56%	0.56	64%	0.641	S	S	*	*			trans	91.7	122.9	131.2	-65.1	167.7	0	0	0	124.7
2028	T	26	Very low	26	Very low	106 Å²	106	118.2 Å²	118.2	65%	0.65	64%	0.636	S	S	*	*			trans	81.7	156.9	131.1	63.7	0	0	0	0	121.6
2029	N	26.2	Very low	26.2	Very low	120 Å²	120	114.2 Å²	114.2	64%	0.642	62%	0.618	S	S	*	*			cis	-149.6	152.5	5.7	-131	-29	0	0	0	117.5
2030	R	25.8	Very low	26.4	Very low	199 Å²	199	113.9 Å²	113.9	75%	0.751	61%	0.608	S	S	*	*			trans	49.1	123.3	147.6	-80.6	158	-168	-126.4	-1.1	126.7
2031	F	27.1	Very low	26.7	Very low	132 Å²	132	110.3 Å²	110.3	58%	0.579	59%	0.59	S	S	*	*				39.5	163	105.3	-72.2	-79.1	0	0	0	123.1	K1225 K1227	K1225-F2031 CarbonylContact O-C 3.26Å; K1225-F2031 WeakPolarHBondContact O-CA 3.49Å; K1227-F2031 CarbonylContact C-O 3.42Å; K1227-F2031 PolarHBondContact N-O 3.03Å
2032	P	28.4	Very low	27.1	Very low	62 Å²	62	108.2 Å²	108.2	40%	0.403	58%	0.584	S	S	.	*			cis	-126	-165.7	-6.7	28.8	-5.5	0	0	0	116.6	K1225 R1226 K1227	K1225-P2032 CarbonylContact O-C 3.44Å; K1225-P2032 WeakPolarHBondContact O-CA 2.91Å; R1226-P2032 CarbonylContact C-O 3.13Å; K1227-P2032 WeakPolarHBondContact CB-O 3.29Å; K1227-P2032 WeakPolarHBondContact CD-O 3.2Å; K1227-P2032 WeakPolarHBondContact CG-O 3.33Å; K1227-P2032 WeakPolarHBondContact O-CD 3.34Å
2033	I	25.3	Very low	27.4	Very low	99 Å²	99	111.7 Å²	111.7	51%	0.508	59%	0.588	S	S	.	*			trans	65.4	117.8	163.9	-15.1	166.8	0	0	0	118.9	K1227	K1227-I2033 HydrophobicContact CD-CB 4.09Å; K1227-I2033 HydrophobicContact CD-CD1 4.37Å; K1227-I2033 HydrophobicContact CD-CG1 4.42Å; K1227-I2033 WeakPolarHBondContact CD-O 3.28Å; K1227-I2033 WeakPolarHBondContact CE-O 3.25Å; K1227-I2033 PolarHBondContact NZ-O 3.3Å
2034	N	24.1	Very low	27.7	Very low	93 Å²	93	110.4 Å²	110.4	50%	0.497	59%	0.585	S	S	.	*				57.3	163.7	61.2	-97.1	16.1	0	0	0	115.9	K1225 K1227	K1225-N2034 HydrophobicContact CD-CB 4.42Å; K1225-N2034 WeakPolarHBondContact CE-OD1 3.42Å; K1225-N2034 VanDerWaalsContact CG-N 3.34Å; K1225-N2034 PolarHBondContact NZ-OD1 3.01Å; K1227-N2034 PolarHBondContact NZ-O 3.03Å
2035	P	33.3	Very low	28.2	Very low	98 Å²	98	109.8 Å²	109.8	64%	0.636	58%	0.583	S	S	*	*			cis	-130	-164.2	-18.9	42.2	-25.1	0	0	0	112.8
2036	S	25.5	Very low	28.5	Very low	96 Å²	96	112.5 Å²	112.5	67%	0.671	60%	0.601	S	S	*	*			trans	38.4	151.4	149.3	-40	0	0	0	0	122.1
2037	D	25.6	Very low	28.5	Very low	137 Å²	137	116 Å²	116	73%	0.733	62%	0.619	S	S	*	*			cis	-173.1	163.8	49.7	-116.4	-39.2	0	0	0	116.1
2038	I	26.3	Very low	28.4	Very low	125 Å²	125	114.5 Å²	114.5	64%	0.641	62%	0.621	S	S	*	*			trans	69.1	104.1	145.7	-67.6	163.3	0	0	0	121.9
2039	H	29.8	Very low	28.5	Very low	99 Å²	99	117 Å²	117	46%	0.458	63%	0.625	S	S	.	*			trans	62.2	162.4	134.1	-68.3	-16.8	0	0	0	124.1
2040	N	28.8	Very low	28.6	Very low	95 Å²	95	118.5 Å²	118.5	51%	0.508	63%	0.628	S	S	.	*			cis	-178.6	165.5	-34.1	-168.2	14.1	0	0	0	109.1
2041	I	31.3	Very low	28.5	Very low	96 Å²	96	115.9 Å²	115.9	49%	0.492	63%	0.629	S	S	.	*			trans	77.5	151.7	162.4	-49.1	-170	0	0	0	117.1
2042	N	30.4	Very low	28.5	Very low	120 Å²	120	113.8 Å²	113.8	64%	0.642	63%	0.631	S	S	*	*				-177.3	150.9	-60.2	-130.7	-30.8	0	0	0	110
2043	K	30.4	Very low	28.4	Very low	170 Å²	170	113.1 Å²	113.1	74%	0.739	62%	0.624	S	S	*	*			trans	64	154.9	156.3	-65	-179	-179.2	-173.2	0	116.7
2044	T	30.6	Very low	28.5	Very low	116 Å²	116	116 Å²	116	71%	0.712	63%	0.629	S	S	*	*			cis	-155.7	164.8	-5.2	9.7	0	0	0	0	110.6
2045	P	37.6	Very low	28.7	Very low	105 Å²	105	112.9 Å²	112.9	68%	0.682	62%	0.615	S	S	*	*			trans	-97.3	-151.5	177.9	44.2	-36	0	0	0	110.4
2046	P	34.8	Very low	28.5	Very low	104 Å²	104	111.7 Å²	111.7	68%	0.675	61%	0.605	S	S	*	*			cis	-142.2	-158.5	-5.4	37.9	-14	0	0	0	115.4
2047	I	25.1	Very low	28.6	Very low	158 Å²	158	111.2 Å²	111.2	81%	0.81	60%	0.602	S	S	*	*			trans	84.7	142.9	148.7	-78.5	170.6	0	0	0	121.2
2048	A	24.4	Very low	28.9	Very low	75 Å²	75	113.8 Å²	113.8	62%	0.62	60%	0.602	S	S	*	*			trans	85.8	120.5	151.6	0	0	0	0	0	124.9
2049	H	26.8	Very low	29.3	Very low	158 Å²	158	112.7 Å²	112.7	73%	0.731	60%	0.597	S	S	*	*				82.3	140.6	126.7	-81.1	-123	0	0	0	124.6
2050	H	28.8	Very low	29.3	Very low	151 Å²	151	113.9 Å²	113.9	70%	0.699	61%	0.607	S	S	*	*			trans	63.9	104.1	152.1	-61.3	-50.2	0	0	0	123.7
2051	N	24.5	Very low	29.4	Very low	145 Å²	145	113.3 Å²	113.3	78%	0.775	61%	0.61	S	S	*	*				42.1	156	111.2	-69.2	-1.1	0	0	0	124.4
2052	S	26.2	Very low	29.4	Very low	87 Å²	87	114.1 Å²	114.1	61%	0.608	62%	0.62	S	S	*	*			trans	78.4	117.1	154	-70.4	0	0	0	0	118.7
2053	L	26.9	Very low	29.2	Very low	49 Å²	49	114.8 Å²	114.8	26%	0.257	62%	0.624	S	S	.	*				81.9	143.1	84.2	-82.9	152.2	0	0	0	112.5	K1258 L1259 S2055	K1258-L2053 HydrophobicContact CB-CD2 4.4Å; K1258-L2053 HydrophobicContact CD-CB 4.44Å; K1258-L2053 HydrophobicContact CD-CD2 4.01Å; K1258-L2053 HydrophobicContact CD-CG 4.07Å; L1259-L2053 HydrophobicContact CB-CD2 4.2Å; L1259-L2053 HydrophobicContact CD1-CD1 4.23Å; L1259-L2053 HydrophobicContact CD1-CD2 3.76Å; L1259-L2053 HydrophobicContact CD1-CG 4.1Å; L2053-S2055 WeakPolarHBondContact CD2-OG 3.38Å
2054	Y	27.5	Very low	29.3	Very low	159 Å²	159	114 Å²	114	62%	0.624	63%	0.627	S	S	*	*			cis	-117.7	160.4	8.5	-80.3	-102.6	0	0	0	111.3	P1256	P1256-Y2054 CarbonylContact O-C 3.55Å
2055	S	27.7	Very low	29	Very low	28 Å²	28	114.8 Å²	114.8	20%	0.196	63%	0.626	C	S	.	*			cis	76.9	161.5	47.1	-27.7	0	0	0	0	116.3	P1256 K1258 L2053	P1256-S2055 PolarHBondContact O-N 2.59Å; K1258-S2055 VanDerWaalsContact CB-OG 3.3Å; K1258-S2055 WeakPolarHBondContact CB-OG 3.19Å; K1258-S2055 WeakPolarHBondContact O-CB 3.11Å; L2053-S2055 WeakPolarHBondContact CD2-OG 3.38Å
2056	T	29.5	Very low	28.6	Very low	72 Å²	72	115.7 Å²	115.7	44%	0.442	63%	0.63	S	S	.	*			cis	-114.3	-131.7	-18	-33.5	0	0	0	0	107.2	P1257 K1258	P1257-T2056 VanDerWaalsContact CB-O 3.32Å; P1257-T2056 WeakPolarHBondContact CB-O 3.42Å; K1258-T2056 WeakPolarHBondContact O-CG2 3.5Å
2057	S	28.4	Very low	28.1	Very low	87 Å²	87	116.8 Å²	116.8	61%	0.608	63%	0.63	S	S	*	*			cis	-173.6	150.3	2.2	-138.2	0	0	0	0	103.5
2058	R	32.2	Very low	28.1	Very low	190 Å²	190	116.2 Å²	116.2	72%	0.717	63%	0.627	S	S	*	*			cis	-155.4	-179	19	-73	-161.4	76.3	74.5	6.8	106.2
2059	D	32.8	Very low	28.4	Very low	102 Å²	102	117.8 Å²	117.8	55%	0.545	63%	0.633	S	S	.	*			cis	-174.4	174.4	-7	-110.2	25.1	0	0	0	105.4
2060	N	31.2	Very low	28.8	Very low	124 Å²	124	115.7 Å²	115.7	66%	0.663	63%	0.634	S	S	*	*			cis	-175.3	160.8	-28.5	-107	-18.8	0	0	0	105.8
2061	S	29.4	Very low	28.8	Very low	83 Å²	83	116.1 Å²	116.1	58%	0.58	64%	0.638	S	S	*	*			cis	-172	-179.9	-13	47.6	0	0	0	0	108.9
2062	T	32.5	Very low	28.8	Very low	114 Å²	114	114.6 Å²	114.6	70%	0.699	64%	0.639	S	S	*	*			trans	75.5	143.7	164.5	74.9	0	0	0	0	118.5
2063	N	26.1	Very low	28.7	Very low	134 Å²	134	117.4 Å²	117.4	72%	0.717	65%	0.646	S	S	*	*			cis	-169.5	158.6	-16.5	-108.4	-11.6	0	0	0	112.5
2064	L	33	Very low	28.6	Very low	154 Å²	154	121.6 Å²	121.6	81%	0.806	67%	0.669	S	S	*	*			trans	68.1	159.3	159.1	-61.1	152	0	0	0	118.5
2065	N	24.5	Very low	28.9	Very low	131 Å²	131	121.8 Å²	121.8	70%	0.701	68%	0.678	S	S	*	*			cis	-175	167	-34.2	-165.8	9.3	0	0	0	109
2066	V	29	Very low	28.8	Very low	124 Å²	124	126.2 Å²	126.2	75%	0.752	70%	0.703	S	S	*	*			trans	72.3	150.3	163.5	-178.7	0	0	0	0	117.2
2067	N	24.2	Very low	28.8	Very low	127 Å²	127	126.3 Å²	126.3	68%	0.679	72%	0.718	S	S	*	*			cis	-173.4	156.2	-41.6	-152.3	3.8	0	0	0	110
2068	I	25.3	Very low	28.7	Very low	147 Å²	147	126.8 Å²	126.8	75%	0.754	72%	0.722	S	S	*	*			trans	68	147.9	155.6	-68.6	155.5	0	0	0	120.7
2069	S	30.3	Very low	28.3	Very low	107 Å²	107	123.8 Å²	123.8	75%	0.748	73%	0.725	S	S	*	*			trans	-84.4	-156.3	177	-39.6	0	0	0	0	112.5
2070	P	35.5	Very low	27.9	Very low	115 Å²	115	129.7 Å²	129.7	75%	0.747	74%	0.74	S	S	*	*			cis	-137.8	-160.5	-8.3	43.7	-23.2	0	0	0	115.1
2071	M	27.6	Very low	27.6	Very low	159 Å²	159	127.4 Å²	127.4	78%	0.783	74%	0.738	S	S	*	*			trans	-6.8	134.2	158.5	-66.7	171.6	141.4	0	0	120.8
2072	S	24.5	Very low	27.4	Very low	113 Å²	113	130.8 Å²	130.8	79%	0.79	74%	0.744	S	S	*	*				172.4	121.6	120.2	-74.6	0	0	0	0	109.3
2073	L	25.2	Very low	27.4	Very low	146 Å²	146	130.7 Å²	130.7	76%	0.764	75%	0.746	S	S	*	*				59.5	128.9	77	-94.2	177.1	0	0	0	116.2
2074	N	25.1	Very low	27.3	Very low	138 Å²	138	129.6 Å²	129.6	74%	0.738	74%	0.74	S	S	*	*			trans	66.4	148	156.7	-73.1	-32.2	0	0	0	117.9
2075	M	32.7	Very low	26.9	Very low	162 Å²	162	127.8 Å²	127.8	80%	0.798	73%	0.73	S	S	*	*			cis	163.3	-177.1	-16.8	-118.3	-76.6	178	0	0	104.1
2076	V	25.9	Very low	27.1	Very low	121 Å²	121	124.4 Å²	124.4	73%	0.733	72%	0.715	S	S	*	*			trans	56.4	68.3	168.7	-159.2	0	0	0	0	113.2
2077	G	29.2	Very low	26.8	Very low	74 Å²	74	124 Å²	124	76%	0.763	70%	0.704	S	S	*	*				81.5	-144.4	54.7	0	0	0	0	0	109.8
2078	S	26.2	Very low	26.8	Very low	97 Å²	97	121.8 Å²	121.8	68%	0.678	70%	0.698	S	S	*	*			trans	41	82.7	163.3	-71.6	0	0	0	0	116.5
2079	T	24.5	Very low	27	Very low	127 Å²	127	118.1 Å²	118.1	78%	0.779	68%	0.682	S	S	*	*				171	174.5	67.3	48.5	0	0	0	0	107.2
2080	R	24.6	Very low	27.1	Very low	227 Å²	227	117.7 Å²	117.7	86%	0.857	68%	0.677	S	S	*	*			cis	-149.4	105.5	15.5	-159.2	170.3	-179.5	166.4	-1.2	106.6
2081	A	23.9	Very low	26.6	Very low	76 Å²	76	119.4 Å²	119.4	63%	0.628	68%	0.68	S	S	*	*				60.8	118.7	76.8	0	0	0	0	0	114.1
2082	Q	25.7	Very low	26.5	Very low	154 Å²	154	115.2 Å²	115.2	72%	0.72	67%	0.666	S	S	*	*			trans	67.8	174.2	166.4	-47.6	-83.7	-14.5	0	0	114.7	N2084	Q2082-N2084 PolarHBondContact OE1-ND2 3.07Å
2083	P	32	Very low	26.7	Very low	111 Å²	111	118.6 Å²	118.6	72%	0.721	67%	0.669	S	S	*	*			cis	-113.7	151.1	-23	4.3	20.4	0	0	0	110.6
2084	N	24.2	Very low	26.7	Very low	111 Å²	111	114.6 Å²	114.6	59%	0.594	66%	0.663	S	S	*	*			cis	67.8	143.2	42.8	-158.8	1.9	0	0	0	112.7	Q2082	Q2082-N2084 PolarHBondContact OE1-ND2 3.07Å
2085	I	24.9	Very low	26.8	Very low	116 Å²	116	114.3 Å²	114.3	60%	0.595	67%	0.666	S	S	*	*			trans	64.1	173.8	171.4	-9.1	-178.6	0	0	0	114
2086	P	28.6	Very low	26.4	Very low	61 Å²	61	111.4 Å²	111.4	40%	0.396	66%	0.662	S	S	.	*				-135.4	-170	-103	46.1	-30	0	0	0	117.4
2087	F	23.7	Very low	26.3	Very low	116 Å²	116	117.1 Å²	117.1	51%	0.509	67%	0.67	S	S	.	*			trans	104	159.7	158.6	-57.7	-37	0	0	0	117.7	N2266	F2087-N2266 WeakPolarHBondContact CD1-OD1 3.37Å; F2087-N2266 WeakPolarHBondContact CE1-OD1 3.4Å
2088	S	23.3	Very low	26	Very low	80 Å²	80	117.9 Å²	117.9	56%	0.559	66%	0.664	S	S	*	*			trans	-162.3	-4.2	-150.3	45.4	0	0	0	0	122.5	S2265	S2088-S2265 CarbonylContact C-O 3.49Å; S2088-S2265 PolarHBondContact N-O 2.72Å; S2088-S2265 VanDerWaalsContact OG-C 3.29Å; S2088-S2265 PolarHBondContact OG-O 3.2Å
2089	T	28.7	Very low	25.9	Very low	70 Å²	70	119.2 Å²	119.2	43%	0.429	67%	0.668	S	S	.	*			trans	-150	173.7	-171.6	68.9	0	0	0	0	115.2	Q2263 S2264 S2265	T2089-Q2263 CarbonylContact O-C 3.53Å; T2089-Q2263 VanDerWaalsContact O-O 3.1Å; T2089-S2264 CarbonylContact C-O 3.35Å; T2089-S2264 WeakPolarHBondContact CA-O 3.16Å; T2089-S2264 PolarHBondContact N-O 2.89Å; T2089-S2264 CarbonylContact O-C 3.55Å; T2089-S2264 PolarHBondContact O-N 3.16Å; T2089-S2264 PolarHBondContact OG1-O 3.04Å; T2089-S2265 WeakPolarHBondContact CB-O 3.17Å; T2089-S2265 VanDerWaalsContact CG2-O 3.27Å; T2089-S2265 WeakPolarHBondContact CG2-O 2.87Å; T2089-S2265 PolarHBondContact N-O 2.93Å; T2089-S2265 VanDerWaalsContact N-O 3.14Å; T2089-S2265 PolarHBondContact OG1-O 3.12Å
2090	P	32.6	Very low	25.9	Very low	97 Å²	97	117.5 Å²	117.5	63%	0.63	67%	0.667	S	S	*	*			cis	-125.5	-179.5	-29.9	31.3	-14.2	0	0	0	112.2
2091	N	26	Very low	25.9	Very low	152 Å²	152	117.4 Å²	117.4	81%	0.813	67%	0.667	S	S	*	*			trans	67.8	157.8	147	-75.1	-7.2	0	0	0	118.5
2092	S	26	Very low	25.9	Very low	71 Å²	71	120.2 Å²	120.2	50%	0.497	67%	0.671	S	S	.	*			cis	-165.4	160.3	-24.9	48.9	0	0	0	0	109.4
2093	H	27.3	Very low	25.9	Very low	184 Å²	184	118.8 Å²	118.8	85%	0.852	68%	0.678	S	S	*	*			trans	68.8	142	176.3	-40.4	-76.9	0	0	0	115.1
2094	G	26.4	Very low	25.6	Very low	62 Å²	62	119.7 Å²	119.7	64%	0.639	68%	0.677	S	S	*	*			cis	166.6	166.9	-11.8	0	0	0	0	0	114.8
2095	T	25.9	Very low	25.6	Very low	131 Å²	131	119.6 Å²	119.6	80%	0.804	68%	0.681	S	S	*	*			trans	53.2	98.5	149.4	45.4	0	0	0	0	118.8
2096	S	24.3	Very low	25.7	Very low	101 Å²	101	122.7 Å²	122.7	71%	0.706	69%	0.693	S	S	*	*				94.9	133.4	112.5	-60.1	0	0	0	0	119.1
2097	R	23.5	Very low	25.5	Very low	241 Å²	241	123.4 Å²	123.4	91%	0.909	70%	0.699	S	S	*	*			trans	69.5	142.1	156	-68	168.9	175.3	-176.6	-4.3	114.8
2098	S	24.1	Very low	25.5	Very low	91 Å²	91	122.2 Å²	122.2	64%	0.636	70%	0.697	S	S	*	*			cis	-165.8	-167.5	-6.4	46.2	0	0	0	0	110
2099	T	24.7	Very low	25.9	Very low	124 Å²	124	123.5 Å²	123.5	76%	0.761	71%	0.706	S	S	*	*			trans	57.2	70.3	146.1	44.5	0	0	0	0	117.8
2100	A	23.9	Very low	25.8	Very low	91 Å²	91	123.3 Å²	123.3	75%	0.752	71%	0.708	S	S	*	*				51.2	142.3	105.8	0	0	0	0	0	122.1
2101	R	23.4	Very low	25.5	Very low	225 Å²	225	123.5 Å²	123.5	85%	0.849	70%	0.703	S	S	*	*			trans	92.6	107.6	152.1	-73	178.6	173.7	176	-2.1	120.1
2102	N	24.2	Very low	25.6	Very low	136 Å²	136	121 Å²	121	73%	0.727	70%	0.697	S	S	*	*				66.4	108.1	127.3	-59.7	15.6	0	0	0	119.2
2103	S	26.4	Very low	25.6	Very low	123 Å²	123	120.6 Å²	120.6	86%	0.86	70%	0.695	S	S	*	*				-138.4	136.3	117.1	-75	0	0	0	0	109.7
2104	N	24.6	Very low	25.6	Very low	131 Å²	131	112 Å²	112	70%	0.701	66%	0.655	S	S	*	*			trans	-67.4	159.4	165.5	-51.5	-46.8	0	0	0	107.7
2105	T	26	Very low	25.8	Very low	109 Å²	109	112.1 Å²	112.1	67%	0.669	65%	0.646	S	S	*	*				-176	153.4	65.8	34.4	0	0	0	0	110.5
2106	Q	26.1	Very low	26.3	Very low	181 Å²	181	109 Å²	109	85%	0.846	63%	0.63	S	S	*	*			trans	57.5	146.6	144.7	-66.5	160.3	-7.1	0	0	118.6
2107	S	24.6	Very low	27.1	Very low	76 Å²	76	108.3 Å²	108.3	53%	0.531	62%	0.618	S	S	.	*			cis	-161.9	138.3	-8.7	32.2	0	0	0	0	110.5
2108	L	24.5	Very low	28.1	Very low	91 Å²	91	102.1 Å²	102.1	48%	0.476	60%	0.603	S	S	.	*			trans	59	118.9	135.1	-50.8	170.1	0	0	0	121.3	I929 E930	I929-L2108 HydrophobicContact CB-CB 4.17Å; I929-L2108 HydrophobicContact CB-CD1 3.86Å; I929-L2108 HydrophobicContact CB-CD2 3.93Å; I929-L2108 HydrophobicContact CB-CG 4.15Å; I929-L2108 HydrophobicContact CD1-CD1 4.34Å; I929-L2108 HydrophobicContact CD1-CD2 4.16Å; I929-L2108 HydrophobicContact CG1-CD2 4.25Å; I929-L2108 HydrophobicContact CG2-CD1 3.79Å; I929-L2108 CarbonylContact O-C 3.6Å; I929-L2108 VanDerWaalsContact O-C 3.27Å; I929-L2108 WeakPolarHBondContact O-CB 3.02Å; E930-L2108 WeakPolarHBondContact O-CB 3.3Å
2109	S	30.5	Very low	29.5	Very low	107 Å²	107	103.4 Å²	103.4	75%	0.748	60%	0.599	S	S	*	*			trans	-167.1	148.3	156.2	-79.7	0	0	0	0	112	I929	I929-S2109 CarbonylContact O-C 3.32Å; I929-S2109 WeakPolarHBondContact O-CA 3.44Å; I929-S2109 PolarHBondContact O-N 2.86Å
2110	S	26.7	Very low	31.3	Very low	66 Å²	66	103 Å²	103	46%	0.462	59%	0.588	S	S	.	*			trans	-70.3	152.5	-178.5	-20.8	0	0	0	0	113.1	E928	E928-S2110 WeakPolarHBondContact CA-OG 2.97Å; E928-S2110 WeakPolarHBondContact CG-OG 3.46Å
2111	L	27	Very low	33.1	Very low	100 Å²	100	104 Å²	104	52%	0.524	58%	0.577	S	S	.	*			cis	66.7	67.7	22.1	-88.3	179.6	0	0	0	116.3	H925 S927	H925-L2111 WeakPolarHBondContact O-CD2 3.43Å; S927-L2111 WeakPolarHBondContact O-CD1 3.41Å
2112	S	26.7	Very low	35.3	Very low	99 Å²	99	96.4 Å²	96.4	69%	0.692	56%	0.555	S	S	*	*			trans	-83.1	161.3	162.9	53.5	0	0	0	0	112.5
2113	S	26.1	Very low	37.4	Very low	63 Å²	63	95.8 Å²	95.8	44%	0.441	55%	0.547	S	S	.	.			trans	85.7	87.7	170	85.9	0	0	0	0	117.3	H924	H924-S2113 VanDerWaalsContact ND1-C 3.25Å; H924-S2113 PolarHBondContact ND1-O 3.17Å; H924-S2113 PolarHBondContact ND1-OG 3.42Å
2114	S	27.4	Very low	39.6	Very low	3 Å²	3	93.4 Å²	93.4	2%	0.021	52%	0.524	C	S	.	.			trans	-167.4	-6.1	143.6	-81.2	0	0	0	0	116.3	H924 H925 E926 S2116 N2117	H924-S2114 VanDerWaalsContact C-OG 3.31Å; H924-S2114 WeakPolarHBondContact CA-OG 3.42Å; H924-S2114 WeakPolarHBondContact CB-OG 3.41Å; H925-S2114 WeakPolarHBondContact CA-OG 3.37Å; H925-S2114 VanDerWaalsContact CD2-CB 3.49Å; H925-S2114 WeakPolarHBondContact CD2-CB 3.47Å; H925-S2114 PolarHBondContact CD2-OG 3.24Å; H925-S2114 VanDerWaalsContact CD2-OG 3.3Å; H925-S2114 WeakPolarHBondContact CE1-CB 3.35Å; H925-S2114 VanDerWaalsContact NE2-CB 3.32Å; H925-S2114 WeakPolarHBondContact NE2-CB 3.37Å; E926-S2114 PolarHBondContact OE1-N 2.96Å; E926-S2114 VanDerWaalsContact OE2-CB 3.25Å; E926-S2114 WeakPolarHBondContact OE2-CB 3.47Å; S2114-S2116 PolarHBondContact O-N 2.93Å; S2114-N2117 PolarHBondContact O-N 3.14Å
2115	S	31.4	Very low	41.9	Very low	65 Å²	65	87.2 Å²	87.2	46%	0.455	49%	0.491	S	S	.	.	H	α-helix	trans	-49.3	-26.5	-166.5	-10.4	0	0	0	0	115.8	E926 Q2119	E926-S2115 WeakPolarHBondContact OE1-CA 3.27Å; E926-S2115 WeakPolarHBondContact OE1-CB 3.4Å; E926-S2115 PolarHBondContact OE1-N 3.06Å; E926-S2115 PolarHBondContact OE1-OG 3.49Å; E926-S2115 PolarHBondContact OE2-N 2.8Å; S2115-Q2119 WeakPolarHBondContact O-CB 3.08Å; S2115-Q2119 PolarHBondContact O-N 2.69Å; S2115-Q2119 VanDerWaalsContact O-N 3.08Å
2116	S	36.6	Very low	44.2	Very low	66 Å²	66	83.4 Å²	83.4	46%	0.462	47%	0.471	S	S	.	.	H	α-helix	trans	-57.5	-52	-178.2	55.5	0	0	0	0	114.1	S2114 E2120	S2114-S2116 PolarHBondContact O-N 2.93Å; S2116-E2120 WeakPolarHBondContact O-CB 3.33Å; S2116-E2120 PolarHBondContact O-N 2.86Å
2117	N	40.8	Very low	46.6	Very low	87 Å²	87	78 Å²	78	47%	0.465	44%	0.444	S	S	.	.	H	α-helix	trans	-73.5	-39	-169.4	-82.7	-105	0	0	0	112.6	S2114 Q2121	S2114-N2117 PolarHBondContact O-N 3.14Å; N2117-Q2121 WeakPolarHBondContact O-CG 3.48Å; N2117-Q2121 PolarHBondContact O-N 2.77Å
2118	L	44.1	Very low	49.2	Very low	111 Å²	111	76 Å²	76	58%	0.581	43%	0.428	S	S	*	.	H	α-helix	trans	-74.2	-37.3	177.1	-167.5	125.7	0	0	0	111.1	E2120 Q2121 V2122	L2118-E2120 VanDerWaalsContact C-N 3.32Å; L2118-E2120 PolarHBondContact O-N 2.89Å; L2118-Q2121 PolarHBondContact O-N 2.89Å; L2118-V2122 HydrophobicContact CD2-CG2 4.3Å; L2118-V2122 WeakPolarHBondContact O-CB 3.17Å; L2118-V2122 VanDerWaalsContact O-CG2 3.31Å; L2118-V2122 WeakPolarHBondContact O-CG2 3.4Å; L2118-V2122 PolarHBondContact O-N 3.5Å
2119	Q	53.1	Low	51.6	Low	118 Å²	118	73.4 Å²	73.4	55%	0.551	42%	0.42	S	S	*	.	H	α-helix	trans	-66.2	-35.6	173.4	-168.1	156.5	15.7	0	0	111.7	S2115 F2123	S2115-Q2119 WeakPolarHBondContact O-CB 3.08Å; S2115-Q2119 PolarHBondContact O-N 2.69Å; S2115-Q2119 VanDerWaalsContact O-N 3.08Å; Q2119-F2123 WeakPolarHBondContact O-CB 3.09Å; Q2119-F2123 PolarHBondContact O-N 3.04Å
2120	E	63.7	Low	53.5	Low	114 Å²	114	71.7 Å²	71.7	53%	0.533	40%	0.401	S	S	.	.	H	α-helix	trans	-67.7	-40.9	172.9	-177.9	168.5	-156.1	0	0	112.6	S2116 L2118 F2123 N2124	S2116-E2120 WeakPolarHBondContact O-CB 3.33Å; S2116-E2120 PolarHBondContact O-N 2.86Å; L2118-E2120 VanDerWaalsContact C-N 3.32Å; L2118-E2120 PolarHBondContact O-N 2.89Å; E2120-F2123 PolarHBondContact O-N 2.81Å; E2120-N2124 WeakPolarHBondContact CG-ND2 2.92Å; E2120-N2124 VanDerWaalsContact O-CB 3.29Å; E2120-N2124 WeakPolarHBondContact O-CB 3.31Å; E2120-N2124 PolarHBondContact O-N 3.03Å; E2120-N2124 PolarHBondContact O-ND2 3.13Å
2121	Q	62.2	Low	55.9	Low	114 Å²	114	70.3 Å²	70.3	53%	0.533	39%	0.387	S	S	.	.	H	α-helix	trans	-66.2	-44.2	175	-74.1	179.5	15.6	0	0	112.3	N2117 L2118 N2124 A2125	N2117-Q2121 WeakPolarHBondContact O-CG 3.48Å; N2117-Q2121 PolarHBondContact O-N 2.77Å; L2118-Q2121 PolarHBondContact O-N 2.89Å; Q2121-N2124 PolarHBondContact O-N 3.16Å; Q2121-A2125 WeakPolarHBondContact O-CB 3.16Å; Q2121-A2125 PolarHBondContact O-N 2.84Å
2122	V	68.8	Low	58.2	Low	64 Å²	64	66.5 Å²	66.5	39%	0.388	37%	0.37	S	S	.	.	H	α-helix	trans	-64.3	-39.8	174.3	173.2	0	0	0	0	111	L2118 A2125 A2126 M2156	L2118-V2122 HydrophobicContact CD2-CG2 4.3Å; L2118-V2122 WeakPolarHBondContact O-CB 3.17Å; L2118-V2122 VanDerWaalsContact O-CG2 3.31Å; L2118-V2122 WeakPolarHBondContact O-CG2 3.4Å; L2118-V2122 PolarHBondContact O-N 3.5Å; V2122-A2125 PolarHBondContact O-N 3.48Å; V2122-A2126 VanDerWaalsContact O-CB 3.26Å; V2122-A2126 WeakPolarHBondContact O-CB 3.25Å; V2122-A2126 PolarHBondContact O-N 2.97Å; V2122-M2156 HydrophobicContact CB-SD 4.42Å; V2122-M2156 HydrophobicContact CG2-SD 3.63Å
2123	F	68.6	Low	60.4	Low	123 Å²	123	64.4 Å²	64.4	54%	0.539	36%	0.359	S	S	.	.	H	α-helix	trans	-66.5	-39	176.4	-174.4	-96.3	0	0	0	112.2	Q2119 E2120 A2126 K2127	Q2119-F2123 WeakPolarHBondContact O-CB 3.09Å; Q2119-F2123 PolarHBondContact O-N 3.04Å; E2120-F2123 PolarHBondContact O-N 2.81Å; F2123-A2126 CarbonylContact O-C 3.19Å; F2123-A2126 PolarHBondContact O-N 2.82Å; F2123-K2127 WeakPolarHBondContact O-CB 3.18Å; F2123-K2127 PolarHBondContact O-N 2.77Å
2124	N	72.8	Confident	62.2	Low	74 Å²	74	67.3 Å²	67.3	40%	0.396	37%	0.37	S	S	.	.	H	α-helix	trans	-69	-42.1	174.7	-78.8	-43.3	0	0	0	112	E2120 Q2121 A2126 K2127 L2128	E2120-N2124 WeakPolarHBondContact CG-ND2 2.92Å; E2120-N2124 VanDerWaalsContact O-CB 3.29Å; E2120-N2124 WeakPolarHBondContact O-CB 3.31Å; E2120-N2124 PolarHBondContact O-N 3.03Å; E2120-N2124 PolarHBondContact O-ND2 3.13Å; Q2121-N2124 PolarHBondContact O-N 3.16Å; N2124-A2126 VanDerWaalsContact C-N 3.31Å; N2124-A2126 PolarHBondContact O-N 3.22Å; N2124-K2127 PolarHBondContact O-N 2.79Å; N2124-K2127 VanDerWaalsContact O-N 3.15Å; N2124-L2128 WeakPolarHBondContact O-CG 3.17Å; N2124-L2128 PolarHBondContact O-N 2.74Å
2125	A	73.2	Confident	64.3	Low	1 Å²	1	69.1 Å²	69.1	1%	0.008	38%	0.378	C	S	.	.	H	α-helix	trans	-61.7	-39.1	172.1	0	0	0	0	0	112	Q2121 V2122 L2128 A2129 A2152 F2153 M2156	Q2121-A2125 WeakPolarHBondContact O-CB 3.16Å; Q2121-A2125 PolarHBondContact O-N 2.84Å; V2122-A2125 PolarHBondContact O-N 3.48Å; A2125-L2128 PolarHBondContact O-N 2.72Å; A2125-A2129 WeakPolarHBondContact O-CB 3.46Å; A2125-A2129 PolarHBondContact O-N 3.09Å; A2125-A2152 HydrophobicContact CB-CB 3.89Å; A2125-F2153 HydrophobicContact CB-CD2 4.29Å; A2125-F2153 HydrophobicContact CB-CE1 4.36Å; A2125-F2153 HydrophobicContact CB-CE2 3.91Å; A2125-F2153 HydrophobicContact CB-CZ 3.94Å; A2125-M2156 HydrophobicContact CB-CE 3.38Å; A2125-M2156 HydrophobicContact CB-SD 4.47Å
2126	A	73.2	Confident	65.5	Low	29 Å²	29	74.8 Å²	74.8	24%	0.24	40%	0.397	C	S	.	.	H	α-helix	trans	-68.7	-34	172.5	0	0	0	0	0	112.8	V2122 F2123 N2124 A2129 M2130	V2122-A2126 VanDerWaalsContact O-CB 3.26Å; V2122-A2126 WeakPolarHBondContact O-CB 3.25Å; V2122-A2126 PolarHBondContact O-N 2.97Å; F2123-A2126 CarbonylContact O-C 3.19Å; F2123-A2126 PolarHBondContact O-N 2.82Å; N2124-A2126 VanDerWaalsContact C-N 3.31Å; N2124-A2126 PolarHBondContact O-N 3.22Å; A2126-A2129 PolarHBondContact O-N 2.87Å; A2126-M2130 HydrophobicContact CB-CE 4.14Å; A2126-M2130 WeakPolarHBondContact O-CB 3.34Å; A2126-M2130 WeakPolarHBondContact O-CE 3.46Å; A2126-M2130 PolarHBondContact O-N 2.71Å
2127	K	75.7	Confident	66.5	Low	66 Å²	66	77 Å²	77	29%	0.287	41%	0.413	S	S	.	.	H	α-helix	trans	-63.6	-45.6	172.3	-166.3	179.3	-176.5	-176.1	0	110.1	D87 F2123 N2124 M2130 M2131	D87-K2127 IonicContact OD2-NZ 3.05Å; D87-K2127 PolarHBondContact OD2-NZ 3.19Å; F2123-K2127 WeakPolarHBondContact O-CB 3.18Å; F2123-K2127 PolarHBondContact O-N 2.77Å; N2124-K2127 PolarHBondContact O-N 2.79Å; N2124-K2127 VanDerWaalsContact O-N 3.15Å; K2127-M2130 PolarHBondContact O-N 2.56Å; K2127-M2131 HydrophobicContact CD-CE 4.42Å; K2127-M2131 HydrophobicContact CG-CE 4.35Å; K2127-M2131 HydrophobicContact CG-SD 4.23Å; K2127-M2131 VanDerWaalsContact O-CG 3.3Å; K2127-M2131 WeakPolarHBondContact O-CG 3.37Å; K2127-M2131 PolarHBondContact O-N 3.21Å
2128	L	79.9	Confident	68.1	Low	35 Å²	35	74.7 Å²	74.7	18%	0.183	40%	0.401	C	S	.	.	H	α-helix	trans	-62.8	-42.5	175	-66.5	169.2	0	0	0	112.4	N2124 A2125 M2131 A2132 F2145 L2148 A2149	N2124-L2128 WeakPolarHBondContact O-CG 3.17Å; N2124-L2128 PolarHBondContact O-N 2.74Å; A2125-L2128 PolarHBondContact O-N 2.72Å; L2128-M2131 WeakPolarHBondContact O-CB 3.25Å; L2128-M2131 PolarHBondContact O-N 3.2Å; L2128-A2132 PolarHBondContact O-N 3.14Å; L2128-F2145 HydrophobicContact CD2-CD1 3.71Å; L2128-F2145 HydrophobicContact CD2-CE1 4.01Å; L2128-L2148 HydrophobicContact CD1-CB 4.23Å; L2128-L2148 HydrophobicContact CD1-CD2 4.07Å; L2128-L2148 HydrophobicContact CD1-CG 4.35Å; L2128-L2148 HydrophobicContact CD2-CB 4.41Å; L2128-L2148 HydrophobicContact CD2-CD2 3.8Å; L2128-A2149 HydrophobicContact CB-CB 3.94Å
2129	A	75.1	Confident	69.4	Low	37 Å²	37	74.1 Å²	74.1	31%	0.306	40%	0.404	S	S	.	.	H	α-helix	trans	-66	-38.4	176.2	0	0	0	0	0	112.7	A2125 A2126 A2132 A2133 A2149 F2153	A2125-A2129 WeakPolarHBondContact O-CB 3.46Å; A2125-A2129 PolarHBondContact O-N 3.09Å; A2126-A2129 PolarHBondContact O-N 2.87Å; A2129-A2132 WeakPolarHBondContact O-CB 3.44Å; A2129-A2132 PolarHBondContact O-N 3.28Å; A2129-A2133 WeakPolarHBondContact O-CB 3.43Å; A2129-A2133 PolarHBondContact O-N 2.99Å; A2129-A2149 HydrophobicContact CB-CB 4.14Å; A2129-F2153 HydrophobicContact CB-CE2 4.24Å
2130	M	71.2	Confident	70	Confident	71 Å²	71	74.2 Å²	74.2	35%	0.35	41%	0.408	S	S	.	.	H	α-helix	trans	-70.7	-32.5	172.7	-84.4	178.7	-96.5	0	0	112.9	R127 A2126 K2127 A2133 N2134	R127-M2130 PolarHBondContact NH1-SD 2.95Å; A2126-M2130 HydrophobicContact CB-CE 4.14Å; A2126-M2130 WeakPolarHBondContact O-CB 3.34Å; A2126-M2130 WeakPolarHBondContact O-CE 3.46Å; A2126-M2130 PolarHBondContact O-N 2.71Å; K2127-M2130 PolarHBondContact O-N 2.56Å; M2130-A2133 PolarHBondContact O-N 3.19Å; M2130-N2134 WeakPolarHBondContact O-CB 3.17Å; M2130-N2134 PolarHBondContact O-N 3.38Å
2131	M	76.4	Confident	70.4	Confident	36 Å²	36	73 Å²	73	18%	0.177	40%	0.401	C	S	.	.	H	α-helix	trans	-62.8	-43.9	169.7	-75.9	164.2	155.4	0	0	110.9	K2127 L2128 A2133 N2134 M2135 F2145	K2127-M2131 HydrophobicContact CD-CE 4.42Å; K2127-M2131 HydrophobicContact CG-CE 4.35Å; K2127-M2131 HydrophobicContact CG-SD 4.23Å; K2127-M2131 VanDerWaalsContact O-CG 3.3Å; K2127-M2131 WeakPolarHBondContact O-CG 3.37Å; K2127-M2131 PolarHBondContact O-N 3.21Å; L2128-M2131 WeakPolarHBondContact O-CB 3.25Å; L2128-M2131 PolarHBondContact O-N 3.2Å; M2131-A2133 PolarHBondContact O-N 3.26Å; M2131-N2134 PolarHBondContact O-N 2.89Å; M2131-M2135 WeakPolarHBondContact O-CB 3.38Å; M2131-M2135 VanDerWaalsContact O-CG 3.27Å; M2131-M2135 WeakPolarHBondContact O-CG 3.2Å; M2131-M2135 PolarHBondContact O-N 3.09Å; M2131-M2135 VanDerWaalsContact O-N 3.11Å; M2131-F2145 HydrophobicContact CB-CB 4.33Å; M2131-F2145 HydrophobicContact CB-CD1 3.76Å; M2131-F2145 HydrophobicContact CB-CE1 4.19Å; M2131-F2145 HydrophobicContact CB-CG 3.95Å; M2131-F2145 HydrophobicContact CG-CD1 4.5Å; M2131-F2145 HydrophobicContact SD-CD1 4.08Å; M2131-F2145 HydrophobicContact SD-CE1 3.73Å; M2131-F2145 HydrophobicContact SD-CZ 4.48Å
2132	A	76	Confident	71	Confident	20 Å²	20	68.4 Å²	68.4	17%	0.165	38%	0.382	C	S	.	.	H	α-helix	trans	-61.5	-42	173.8	0	0	0	0	0	112.9	L2128 A2129 F2145 A2146	L2128-A2132 PolarHBondContact O-N 3.14Å; A2129-A2132 WeakPolarHBondContact O-CB 3.44Å; A2129-A2132 PolarHBondContact O-N 3.28Å; A2132-F2145 HydrophobicContact CB-CB 3.89Å; A2132-A2146 HydrophobicContact CB-CB 3.97Å
2133	A	71.8	Confident	71.3	Confident	56 Å²	56	70.9 Å²	70.9	46%	0.463	39%	0.393	S	S	.	.	H	α-helix	trans	-71.4	-34.1	-179.7	0	0	0	0	0	113.7	A2129 M2130 M2131	A2129-A2133 WeakPolarHBondContact O-CB 3.43Å; A2129-A2133 PolarHBondContact O-N 2.99Å; M2130-A2133 PolarHBondContact O-N 3.19Å; M2131-A2133 PolarHBondContact O-N 3.26Å
2134	N	65.3	Low	71.7	Confident	124 Å²	124	69 Å²	69	66%	0.663	39%	0.391	S	S	*	.	H	α-helix	trans	-85.3	-15.4	179.7	-74.1	2.9	0	0	0	113.6	M2130 M2131 Q2136	M2130-N2134 WeakPolarHBondContact O-CB 3.17Å; M2130-N2134 PolarHBondContact O-N 3.38Å; M2131-N2134 PolarHBondContact O-N 2.89Å; N2134-Q2136 PolarHBondContact O-N 2.8Å
2135	M	69.5	Low	71.9	Confident	40 Å²	40	67.6 Å²	67.6	20%	0.197	38%	0.382	C	S	.	.			trans	-78.1	65.5	177.7	-80.5	-170.5	170.8	0	0	113.2	M2131 S2137 K2141 A2142 F2145	M2131-M2135 WeakPolarHBondContact O-CB 3.38Å; M2131-M2135 VanDerWaalsContact O-CG 3.27Å; M2131-M2135 WeakPolarHBondContact O-CG 3.2Å; M2131-M2135 PolarHBondContact O-N 3.09Å; M2131-M2135 VanDerWaalsContact O-N 3.11Å; M2135-S2137 PolarHBondContact O-N 3.4Å; M2135-K2141 HydrophobicContact CE-CB 4.43Å; M2135-K2141 HydrophobicContact CE-CD 4.47Å; M2135-K2141 HydrophobicContact SD-CB 3.49Å; M2135-K2141 WeakPolarHBondContact SD-CB 3.42Å; M2135-K2141 HydrophobicContact SD-CD 4.46Å; M2135-A2142 HydrophobicContact CB-CB 3.87Å; M2135-F2145 HydrophobicContact CE-CD2 4.01Å; M2135-F2145 HydrophobicContact CE-CE2 3.57Å; M2135-F2145 HydrophobicContact CE-CZ 4.39Å; M2135-F2145 HydrophobicContact SD-CD2 3.5Å; M2135-F2145 WeakPolarHBondContact SD-CD2 3.48Å; M2135-F2145 HydrophobicContact SD-CE2 3.69Å
2136	Q	57.1	Low	72.1	Confident	184 Å²	184	69.7 Å²	69.7	86%	0.86	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-11.8	175.6	-60.5	-179	9.9	0	0	113.6	N2134	N2134-Q2136 PolarHBondContact O-N 2.8Å
2137	S	57.8	Low	72.3	Confident	113 Å²	113	71.3 Å²	71.3	79%	0.79	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	-22.7	-172.3	52.4	0	0	0	0	115.6	M2135	M2135-S2137 PolarHBondContact O-N 3.4Å
2138	D	73.7	Confident	72.4	Confident	39 Å²	39	72.6 Å²	72.6	21%	0.209	42%	0.419	C	S	.	.			trans	-143.8	95.7	-173.2	-170.1	-23.3	0	0	0	110.8	N2140 K2141 A2142	D2138-N2140 PolarHBondContact O-N 3.35Å; D2138-N2140 PolarHBondContact OD1-N 2.8Å; D2138-K2141 HydrophobicContact CB-CB 4.15Å; D2138-K2141 HydrophobicContact CB-CD 4.13Å; D2138-K2141 HydrophobicContact CB-CG 4.2Å; D2138-K2141 PolarHBondContact O-N 3.29Å; D2138-K2141 VanDerWaalsContact O-N 3.15Å; D2138-K2141 PolarHBondContact OD1-N 2.89Å; D2138-K2141 VanDerWaalsContact OD2-CD 3.3Å; D2138-K2141 WeakPolarHBondContact OD2-CD 3.12Å; D2138-K2141 VanDerWaalsContact OD2-CE 3.27Å; D2138-K2141 WeakPolarHBondContact OD2-CE 3.33Å; D2138-K2141 WeakPolarHBondContact OD2-CG 2.97Å; D2138-K2141 IonicContact OD2-NZ 3.77Å; D2138-K2141 PolarHBondContact OD2-NZ 3.06Å; D2138-A2142 PolarHBondContact O-N 2.87Å
2139	P	71.7	Confident	72.3	Confident	98 Å²	98	71.2 Å²	71.2	64%	0.636	41%	0.412	S	S	*	.	H	α-helix	trans	-66.8	-20.6	-173.5	27	-34.9	0	0	0	113.1	L2143	P2139-L2143 WeakPolarHBondContact O-CB 3.25Å; P2139-L2143 PolarHBondContact O-N 3.28Å
2140	N	65.7	Low	72.1	Confident	121 Å²	121	71.4 Å²	71.4	65%	0.647	41%	0.413	S	S	*	.	H	α-helix	trans	-74	-41.6	175.2	-60.1	-65.9	0	0	0	110.7	D2138 T2144	D2138-N2140 PolarHBondContact O-N 3.35Å; D2138-N2140 PolarHBondContact OD1-N 2.8Å; N2140-T2144 WeakPolarHBondContact O-CB 3.31Å; N2140-T2144 PolarHBondContact O-N 3.31Å; N2140-T2144 PolarHBondContact O-OG1 2.77Å
2141	K	73.1	Confident	72.1	Confident	88 Å²	88	70.3 Å²	70.3	38%	0.383	42%	0.416	S	S	.	.	H	α-helix	trans	-67.4	-46.3	172.4	-64.6	-178.7	-176.7	117.7	0	110.5	M2135 D2138 L2143 T2144 F2145	M2135-K2141 HydrophobicContact CE-CB 4.43Å; M2135-K2141 HydrophobicContact CE-CD 4.47Å; M2135-K2141 HydrophobicContact SD-CB 3.49Å; M2135-K2141 WeakPolarHBondContact SD-CB 3.42Å; M2135-K2141 HydrophobicContact SD-CD 4.46Å; D2138-K2141 HydrophobicContact CB-CB 4.15Å; D2138-K2141 HydrophobicContact CB-CD 4.13Å; D2138-K2141 HydrophobicContact CB-CG 4.2Å; D2138-K2141 PolarHBondContact O-N 3.29Å; D2138-K2141 VanDerWaalsContact O-N 3.15Å; D2138-K2141 PolarHBondContact OD1-N 2.89Å; D2138-K2141 VanDerWaalsContact OD2-CD 3.3Å; D2138-K2141 WeakPolarHBondContact OD2-CD 3.12Å; D2138-K2141 VanDerWaalsContact OD2-CE 3.27Å; D2138-K2141 WeakPolarHBondContact OD2-CE 3.33Å; D2138-K2141 WeakPolarHBondContact OD2-CG 2.97Å; D2138-K2141 IonicContact OD2-NZ 3.77Å; D2138-K2141 PolarHBondContact OD2-NZ 3.06Å; K2141-L2143 VanDerWaalsContact C-N 3.31Å; K2141-L2143 PolarHBondContact O-N 2.61Å; K2141-T2144 CarbonylContact O-C 3.44Å; K2141-T2144 WeakPolarHBondContact O-CA 3.35Å; K2141-T2144 WeakPolarHBondContact O-CB 3.46Å; K2141-T2144 PolarHBondContact O-N 2.92Å; K2141-F2145 VanDerWaalsContact O-CD2 3.27Å; K2141-F2145 WeakPolarHBondContact O-CD2 3.27Å; K2141-F2145 PolarHBondContact O-N 2.9Å
2142	A	75.1	Confident	71.6	Confident	17 Å²	17	69.7 Å²	69.7	14%	0.14	42%	0.416	C	S	.	.	H	α-helix	trans	-55.9	-44.2	175.6	0	0	0	0	0	112.2	M2135 D2138 F2145 A2146	M2135-A2142 HydrophobicContact CB-CB 3.87Å; D2138-A2142 PolarHBondContact O-N 2.87Å; A2142-F2145 PolarHBondContact O-N 2.78Å; A2142-A2146 WeakPolarHBondContact O-CB 3.35Å; A2142-A2146 PolarHBondContact O-N 3.35Å
2143	L	74.3	Confident	70.9	Confident	117 Å²	117	72.3 Å²	72.3	61%	0.613	42%	0.424	S	S	*	.	H	α-helix	trans	-70.1	-30.1	175.4	-171	144.8	0	0	0	112.6	P2139 K2141 S2147	P2139-L2143 WeakPolarHBondContact O-CB 3.25Å; P2139-L2143 PolarHBondContact O-N 3.28Å; K2141-L2143 VanDerWaalsContact C-N 3.31Å; K2141-L2143 PolarHBondContact O-N 2.61Å; L2143-S2147 VanDerWaalsContact O-CB 3.23Å; L2143-S2147 WeakPolarHBondContact O-CB 3.2Å; L2143-S2147 PolarHBondContact O-N 3.3Å; L2143-S2147 PolarHBondContact O-OG 3.08Å
2144	T	77.3	Confident	70.5	Confident	82 Å²	82	73.4 Å²	73.4	50%	0.503	43%	0.425	S	S	.	.	H	α-helix	trans	-68.5	-47.5	172.7	-57.7	0	0	0	0	111	N2140 K2141 S2147 L2148	N2140-T2144 WeakPolarHBondContact O-CB 3.31Å; N2140-T2144 PolarHBondContact O-N 3.31Å; N2140-T2144 PolarHBondContact O-OG1 2.77Å; K2141-T2144 CarbonylContact O-C 3.44Å; K2141-T2144 WeakPolarHBondContact O-CA 3.35Å; K2141-T2144 WeakPolarHBondContact O-CB 3.46Å; K2141-T2144 PolarHBondContact O-N 2.92Å; T2144-S2147 CarbonylContact O-C 3.58Å; T2144-S2147 PolarHBondContact O-N 3.13Å; T2144-L2148 WeakPolarHBondContact O-CB 3.12Å; T2144-L2148 PolarHBondContact O-N 3.24Å
2145	F	76.4	Confident	69.9	Low	45 Å²	45	74.5 Å²	74.5	20%	0.197	43%	0.426	C	S	.	.	H	α-helix	trans	-66.3	-36.2	174.4	-78.4	-75.8	0	0	0	112	L2128 M2131 A2132 M2135 K2141 A2142 S2147 L2148 A2149	L2128-F2145 HydrophobicContact CD2-CD1 3.71Å; L2128-F2145 HydrophobicContact CD2-CE1 4.01Å; M2131-F2145 HydrophobicContact CB-CB 4.33Å; M2131-F2145 HydrophobicContact CB-CD1 3.76Å; M2131-F2145 HydrophobicContact CB-CE1 4.19Å; M2131-F2145 HydrophobicContact CB-CG 3.95Å; M2131-F2145 HydrophobicContact CG-CD1 4.5Å; M2131-F2145 HydrophobicContact SD-CD1 4.08Å; M2131-F2145 HydrophobicContact SD-CE1 3.73Å; M2131-F2145 HydrophobicContact SD-CZ 4.48Å; A2132-F2145 HydrophobicContact CB-CB 3.89Å; M2135-F2145 HydrophobicContact CE-CD2 4.01Å; M2135-F2145 HydrophobicContact CE-CE2 3.57Å; M2135-F2145 HydrophobicContact CE-CZ 4.39Å; M2135-F2145 HydrophobicContact SD-CD2 3.5Å; M2135-F2145 WeakPolarHBondContact SD-CD2 3.48Å; M2135-F2145 HydrophobicContact SD-CE2 3.69Å; K2141-F2145 VanDerWaalsContact O-CD2 3.27Å; K2141-F2145 WeakPolarHBondContact O-CD2 3.27Å; K2141-F2145 PolarHBondContact O-N 2.9Å; A2142-F2145 PolarHBondContact O-N 2.78Å; F2145-S2147 VanDerWaalsContact C-N 3.33Å; F2145-L2148 PolarHBondContact O-N 3.04Å; F2145-A2149 WeakPolarHBondContact O-CB 3.38Å; F2145-A2149 PolarHBondContact O-N 3.18Å
2146	A	77.5	Confident	69	Low	45 Å²	45	74.8 Å²	74.8	37%	0.372	43%	0.428	S	S	.	.	H	α-helix	trans	-66.4	-35	171.7	0	0	0	0	0	111.8	A2132 A2142 A2150	A2132-A2146 HydrophobicContact CB-CB 3.97Å; A2142-A2146 WeakPolarHBondContact O-CB 3.35Å; A2142-A2146 PolarHBondContact O-N 3.35Å; A2146-A2150 WeakPolarHBondContact O-CB 3.4Å; A2146-A2150 PolarHBondContact O-N 3.44Å
2147	S	78.7	Confident	68.2	Low	64 Å²	64	69.4 Å²	69.4	45%	0.448	41%	0.414	S	S	.	.	H	α-helix	trans	-72.9	-34.9	174.3	-60.7	0	0	0	0	112.1	L2143 T2144 F2145 A2151	L2143-S2147 VanDerWaalsContact O-CB 3.23Å; L2143-S2147 WeakPolarHBondContact O-CB 3.2Å; L2143-S2147 PolarHBondContact O-N 3.3Å; L2143-S2147 PolarHBondContact O-OG 3.08Å; T2144-S2147 CarbonylContact O-C 3.58Å; T2144-S2147 PolarHBondContact O-N 3.13Å; F2145-S2147 VanDerWaalsContact C-N 3.33Å; S2147-A2151 WeakPolarHBondContact O-CB 3.5Å; S2147-A2151 PolarHBondContact O-N 3.05Å
2148	L	76.8	Confident	67.1	Low	93 Å²	93	68.6 Å²	68.6	49%	0.487	41%	0.409	S	S	.	.	H	α-helix	trans	-71.9	-40.3	174.5	-134.4	78.4	0	0	0	111.3	L2128 T2144 F2145 A2151 A2152	L2128-L2148 HydrophobicContact CD1-CB 4.23Å; L2128-L2148 HydrophobicContact CD1-CD2 4.07Å; L2128-L2148 HydrophobicContact CD1-CG 4.35Å; L2128-L2148 HydrophobicContact CD2-CB 4.41Å; L2128-L2148 HydrophobicContact CD2-CD2 3.8Å; T2144-L2148 WeakPolarHBondContact O-CB 3.12Å; T2144-L2148 PolarHBondContact O-N 3.24Å; F2145-L2148 PolarHBondContact O-N 3.04Å; L2148-A2151 PolarHBondContact O-N 2.92Å; L2148-A2152 WeakPolarHBondContact O-CB 3.41Å; L2148-A2152 PolarHBondContact O-N 2.69Å
2149	A	77.2	Confident	64.9	Low	6 Å²	6	70.7 Å²	70.7	5%	0.05	43%	0.427	C	S	.	.	H	α-helix	trans	-63.9	-47.2	170.8	0	0	0	0	0	110.7	L2128 A2129 F2145 A2151 A2152 F2153	L2128-A2149 HydrophobicContact CB-CB 3.94Å; A2129-A2149 HydrophobicContact CB-CB 4.14Å; F2145-A2149 WeakPolarHBondContact O-CB 3.38Å; F2145-A2149 PolarHBondContact O-N 3.18Å; A2149-A2151 VanDerWaalsContact C-N 3.31Å; A2149-A2151 PolarHBondContact O-N 3Å; A2149-A2152 PolarHBondContact O-N 3.14Å; A2149-F2153 HydrophobicContact CB-CD2 4.41Å; A2149-F2153 WeakPolarHBondContact O-CB 3.06Å; A2149-F2153 WeakPolarHBondContact O-CD2 3.29Å; A2149-F2153 PolarHBondContact O-N 3.33Å
2150	A	72.6	Confident	62.9	Low	40 Å²	40	70.8 Å²	70.8	33%	0.331	43%	0.43	S	S	.	.	H	α-helix	trans	-63.3	-35.9	176	0	0	0	0	0	111.9	A2146 T2154	A2146-A2150 WeakPolarHBondContact O-CB 3.4Å; A2146-A2150 PolarHBondContact O-N 3.44Å; A2150-T2154 WeakPolarHBondContact O-CB 3.5Å; A2150-T2154 PolarHBondContact O-N 3.11Å; A2150-T2154 PolarHBondContact O-OG1 3.45Å
2151	A	69.2	Low	61.1	Low	49 Å²	49	70.2 Å²	70.2	41%	0.405	43%	0.433	S	S	.	.	H	α-helix	trans	-64.4	-47.7	171.9	0	0	0	0	0	111.3	S2147 L2148 A2149 T2154 E2155	S2147-A2151 WeakPolarHBondContact O-CB 3.5Å; S2147-A2151 PolarHBondContact O-N 3.05Å; L2148-A2151 PolarHBondContact O-N 2.92Å; A2149-A2151 VanDerWaalsContact C-N 3.31Å; A2149-A2151 PolarHBondContact O-N 3Å; A2151-T2154 CarbonylContact O-C 3.55Å; A2151-T2154 PolarHBondContact O-N 2.8Å; A2151-T2154 VanDerWaalsContact O-N 3.14Å; A2151-E2155 PolarHBondContact O-N 3.35Å
2152	A	66.2	Low	58.9	Low	22 Å²	22	74 Å²	74	18%	0.182	45%	0.451	C	S	.	.	H	α-helix	trans	-63.6	-44.2	176.9	0	0	0	0	0	112.5	A2125 L2148 A2149 T2154 E2155 M2156	A2125-A2152 HydrophobicContact CB-CB 3.89Å; L2148-A2152 WeakPolarHBondContact O-CB 3.41Å; L2148-A2152 PolarHBondContact O-N 2.69Å; A2149-A2152 PolarHBondContact O-N 3.14Å; A2152-T2154 VanDerWaalsContact C-N 3.29Å; A2152-T2154 PolarHBondContact O-N 3.29Å; A2152-E2155 PolarHBondContact O-N 3.41Å; A2152-M2156 WeakPolarHBondContact O-CG 3.18Å; A2152-M2156 PolarHBondContact O-N 2.77Å
2153	F	61.4	Low	56.7	Low	76 Å²	76	78.7 Å²	78.7	33%	0.333	47%	0.474	S	S	.	.	H	α-helix	trans	-66.3	-28.4	172.7	-79.2	-67.8	0	0	0	112.3	A2125 A2129 A2149 M2156 A2157	A2125-F2153 HydrophobicContact CB-CD2 4.29Å; A2125-F2153 HydrophobicContact CB-CE1 4.36Å; A2125-F2153 HydrophobicContact CB-CE2 3.91Å; A2125-F2153 HydrophobicContact CB-CZ 3.94Å; A2129-F2153 HydrophobicContact CB-CE2 4.24Å; A2149-F2153 HydrophobicContact CB-CD2 4.41Å; A2149-F2153 WeakPolarHBondContact O-CB 3.06Å; A2149-F2153 WeakPolarHBondContact O-CD2 3.29Å; A2149-F2153 PolarHBondContact O-N 3.33Å; F2153-M2156 HydrophobicContact CB-CE 4.46Å; F2153-M2156 HydrophobicContact CD1-CE 3.36Å; F2153-M2156 HydrophobicContact CE1-CE 3.59Å; F2153-M2156 HydrophobicContact CG-CE 3.93Å; F2153-M2156 HydrophobicContact CZ-CE 4.33Å; F2153-A2157 WeakPolarHBondContact O-CB 3.28Å; F2153-A2157 PolarHBondContact O-N 3.31Å
2154	T	64.1	Low	54.4	Low	79 Å²	79	81.6 Å²	81.6	49%	0.485	48%	0.482	S	S	.	.	H	α-helix	trans	-76.6	-36.5	172.7	-59.4	0	0	0	0	111.7	A2150 A2151 A2152 A2157 S2158	A2150-T2154 WeakPolarHBondContact O-CB 3.5Å; A2150-T2154 PolarHBondContact O-N 3.11Å; A2150-T2154 PolarHBondContact O-OG1 3.45Å; A2151-T2154 CarbonylContact O-C 3.55Å; A2151-T2154 PolarHBondContact O-N 2.8Å; A2151-T2154 VanDerWaalsContact O-N 3.14Å; A2152-T2154 VanDerWaalsContact C-N 3.29Å; A2152-T2154 PolarHBondContact O-N 3.29Å; T2154-A2157 PolarHBondContact O-N 3.38Å; T2154-S2158 WeakPolarHBondContact O-CB 3.41Å; T2154-S2158 PolarHBondContact O-N 3.09Å; T2154-S2158 PolarHBondContact O-OG 3.19Å
2155	E	52.2	Low	52.1	Low	146 Å²	146	86.4 Å²	86.4	68%	0.682	50%	0.496	S	S	*	.	H	α-helix	trans	-62.1	-47.9	170.2	-76.6	-170.5	113.5	0	0	110.1	A2151 A2152 A2157 S2158 S2159	A2151-E2155 PolarHBondContact O-N 3.35Å; A2152-E2155 PolarHBondContact O-N 3.41Å; E2155-A2157 PolarHBondContact O-N 2.99Å; E2155-S2158 PolarHBondContact O-N 3.12Å; E2155-S2158 PolarHBondContact O-OG 3.03Å; E2155-S2159 PolarHBondContact O-N 3.18Å
2156	M	50	Low	49.7	Very low	47 Å²	47	90.6 Å²	90.6	23%	0.232	52%	0.52	C	S	.	.	H	α-helix	trans	-64.3	-35.1	175.6	-66.8	-174.9	-60.6	0	0	113.7	V2122 A2125 A2152 F2153 S2159	V2122-M2156 HydrophobicContact CB-SD 4.42Å; V2122-M2156 HydrophobicContact CG2-SD 3.63Å; A2125-M2156 HydrophobicContact CB-CE 3.38Å; A2125-M2156 HydrophobicContact CB-SD 4.47Å; A2152-M2156 WeakPolarHBondContact O-CG 3.18Å; A2152-M2156 PolarHBondContact O-N 2.77Å; F2153-M2156 HydrophobicContact CB-CE 4.46Å; F2153-M2156 HydrophobicContact CD1-CE 3.36Å; F2153-M2156 HydrophobicContact CE1-CE 3.59Å; F2153-M2156 HydrophobicContact CG-CE 3.93Å; F2153-M2156 HydrophobicContact CZ-CE 4.33Å; M2156-S2159 PolarHBondContact O-OG 2.82Å
2157	A	42.1	Very low	47.1	Very low	70 Å²	70	89.9 Å²	89.9	58%	0.579	51%	0.512	S	S	*	.	H	α-helix	trans	-80.2	-26.7	177.2	0	0	0	0	0	113.6	F2153 T2154 E2155 S2159 S2160	F2153-A2157 WeakPolarHBondContact O-CB 3.28Å; F2153-A2157 PolarHBondContact O-N 3.31Å; T2154-A2157 PolarHBondContact O-N 3.38Å; E2155-A2157 PolarHBondContact O-N 2.99Å; A2157-S2159 PolarHBondContact O-N 2.92Å; A2157-S2160 PolarHBondContact O-N 3.11Å
2158	S	33.1	Very low	44.6	Very low	97 Å²	97	89.8 Å²	89.8	68%	0.678	51%	0.511	S	S	*	.	H	α-helix	trans	-76.2	-7.8	175.8	69.8	0	0	0	0	113.5	T2154 E2155	T2154-S2158 WeakPolarHBondContact O-CB 3.41Å; T2154-S2158 PolarHBondContact O-N 3.09Å; T2154-S2158 PolarHBondContact O-OG 3.19Å; E2155-S2158 PolarHBondContact O-N 3.12Å; E2155-S2158 PolarHBondContact O-OG 3.03Å
2159	S	29	Very low	42.1	Very low	83 Å²	83	95.1 Å²	95.1	58%	0.58	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	34.7	164.7	58.2	0	0	0	0	113.8	E2155 M2156 A2157 P2161	E2155-S2159 PolarHBondContact O-N 3.18Å; M2156-S2159 PolarHBondContact O-OG 2.82Å; A2157-S2159 PolarHBondContact O-N 2.92Å; S2159-P2161 VanDerWaalsContact O-CD 3.25Å; S2159-P2161 WeakPolarHBondContact O-CD 3.46Å
2160	S	29	Very low	39.7	Very low	100 Å²	100	99.1 Å²	99.1	70%	0.699	55%	0.553	S	S	*	*			trans	-66.2	120.3	167.7	-177.6	0	0	0	0	111.5	A2157	A2157-S2160 PolarHBondContact O-N 3.11Å
2161	P	27.8	Very low	37.9	Very low	109 Å²	109	103.7 Å²	103.7	71%	0.708	57%	0.572	S	S	*	*			trans	-118.1	87.4	-174	36	-20.3	0	0	0	112.5	S2159	S2159-P2161 VanDerWaalsContact O-CD 3.25Å; S2159-P2161 WeakPolarHBondContact O-CD 3.46Å
2162	Q	26.7	Very low	36	Very low	166 Å²	166	107.4 Å²	107.4	78%	0.776	59%	0.585	S	S	*	*			trans	-155.8	163.5	174.7	-128.9	152	96.3	0	0	117.5
2163	D	29.7	Very low	34.4	Very low	117 Å²	117	114 Å²	114	63%	0.626	61%	0.611	S	S	*	*			trans	60.4	128.4	175.3	-67.4	-12.8	0	0	0	120.6
2164	K	26	Very low	32.7	Very low	177 Å²	177	115.8 Å²	115.8	77%	0.77	63%	0.633	S	S	*	*			cis	78.7	81.1	27.1	-54.1	173.8	-179	166.2	0	116.5
2165	K	28.5	Very low	30.8	Very low	184 Å²	184	116 Å²	116	80%	0.8	64%	0.638	S	S	*	*			trans	-160.8	121.9	141.3	-101.9	137.2	-175.1	169	0	108.7
2166	L	25.8	Very low	29.5	Very low	133 Å²	133	114.9 Å²	114.9	70%	0.696	64%	0.641	S	S	*	*				62.8	91.5	83.4	-82.7	160.8	0	0	0	113.5
2167	S	23.9	Very low	28.6	Very low	30 Å²	30	117.5 Å²	117.5	21%	0.21	66%	0.66	C	S	.	*			trans	-118.7	91	137	-173.5	0	0	0	0	107.9	S1729 S1730 N1731	S1729-S2167 PolarHBondContact N-OG 2.98Å; S1729-S2167 PolarHBondContact OG-OG 3.07Å; S1730-S2167 CarbonylContact C-O 2.85Å; S1730-S2167 VanDerWaalsContact C-O 3.26Å; S1730-S2167 WeakPolarHBondContact OG-CA 3.47Å; S1730-S2167 WeakPolarHBondContact OG-CB 3.29Å; S1730-S2167 PolarHBondContact OG-N 3.01Å; S1730-S2167 PolarHBondContact OG-O 2.89Å; N1731-S2167 VanDerWaalsContact CG-O 3.29Å; N1731-S2167 PolarHBondContact N-O 3.12Å; N1731-S2167 VanDerWaalsContact OD1-C 3.25Å; N1731-S2167 PolarHBondContact OD1-O 2.94Å
2168	S	24.8	Very low	27.7	Very low	62 Å²	62	118.5 Å²	118.5	43%	0.434	66%	0.663	S	S	.	*			trans	-46.3	152.2	150.3	54.6	0	0	0	0	110.8	S1729 N1731	S1729-S2168 PolarHBondContact OG-O 3.18Å; S1729-S2168 VanDerWaalsContact OG-O 3.1Å; N1731-S2168 WeakPolarHBondContact ND2-CA 3.26Å; N1731-S2168 PolarHBondContact OD1-N 3.34Å
2169	R	25.3	Very low	27.3	Very low	204 Å²	204	119.9 Å²	119.9	77%	0.77	66%	0.658	S	S	*	*			cis	-161.9	165.8	23.6	-147.1	166.7	-179.8	161.9	-4.7	110
2170	S	27.1	Very low	26.9	Very low	90 Å²	90	122.5 Å²	122.5	63%	0.629	66%	0.661	S	S	*	*			trans	33.4	126.5	149.7	54.8	0	0	0	0	120.1
2171	N	33.4	Very low	26.8	Very low	137 Å²	137	123.5 Å²	123.5	73%	0.733	66%	0.655	S	S	*	*				1.8	135.7	123.6	-43.3	-2.4	0	0	0	115.6
2172	D	30.9	Very low	26.4	Very low	127 Å²	127	124.2 Å²	124.2	68%	0.679	65%	0.652	S	S	*	*				-163.2	121.4	97	-94.8	-6.7	0	0	0	108.3
2173	H	31	Very low	26.2	Very low	160 Å²	160	119.9 Å²	119.9	74%	0.741	64%	0.64	S	S	*	*				78	155	99.8	-81.3	-43.7	0	0	0	113.6
2174	S	27	Very low	25.8	Very low	114 Å²	114	115.8 Å²	115.8	80%	0.797	63%	0.625	S	S	*	*			trans	61.3	144.3	171.8	36.2	0	0	0	0	117.2
2175	S	23.6	Very low	25.7	Very low	82 Å²	82	114.4 Å²	114.4	57%	0.573	63%	0.625	S	S	*	*			cis	-157.3	113.8	-16.6	43.7	0	0	0	0	110	T2177	S2175-T2177 CarbonylContact O-C 3.43Å
2176	T	24.7	Very low	25.7	Very low	124 Å²	124	111.3 Å²	111.3	76%	0.761	61%	0.613	S	S	*	*			trans	58.7	-153.8	153.4	51.7	0	0	0	0	112.8	S2178	T2176-S2178 CarbonylContact C-O 3.58Å
2177	T	31.3	Very low	25.7	Very low	101 Å²	101	112.1 Å²	112.1	62%	0.62	61%	0.613	S	S	*	*				43.2	73.5	57.7	-29.4	0	0	0	0	109.8	S2175 H2179	S2175-T2177 CarbonylContact O-C 3.43Å; T2177-H2179 HydrophobicContact CG2-CB 3.39Å
2178	S	22.9	Very low	25.8	Very low	91 Å²	91	115.1 Å²	115.1	64%	0.636	63%	0.627	S	S	*	*			cis	-57.1	122.6	27.6	59.5	0	0	0	0	116.4	T2176 H2180	T2176-S2178 CarbonylContact C-O 3.58Å; S2178-H2180 VanDerWaalsContact C-N 3.32Å
2179	H	25.5	Very low	26	Very low	126 Å²	126	116.9 Å²	116.9	58%	0.583	63%	0.631	S	S	*	*			cis	44.8	44.2	-0.2	-139.8	-49.9	0	0	0	115.9	T2177	T2177-H2179 HydrophobicContact CG2-CB 3.39Å
2180	H	19.3	Very low	26.3	Very low	138 Å²	138	110.9 Å²	110.9	64%	0.639	62%	0.621	S	S	*	*				-123.5	120.1	128.6	-81.8	-53.3	0	0	0	106.2	S2178 L2182	S2178-H2180 VanDerWaalsContact C-N 3.32Å; H2180-L2182 HydrophobicContact CB-CB 4.37Å; H2180-L2182 HydrophobicContact CB-CD1 4.2Å; H2180-L2182 HydrophobicContact CB-CG 3.79Å
2181	Q	27.5	Very low	26.4	Very low	122 Å²	122	112.5 Å²	112.5	57%	0.57	62%	0.618	S	S	*	*			cis	46.6	43.5	10.2	-92.9	-89.3	-19.4	0	0	112.1	S2183	Q2181-S2183 CarbonylContact C-O 3.06Å; Q2181-S2183 PolarHBondContact NE2-OG 3.3Å; Q2181-S2183 VanDerWaalsContact OE1-CB 3.23Å
2182	L	18.8	Very low	26.3	Very low	124 Å²	124	116.2 Å²	116.2	65%	0.649	62%	0.622	S	S	*	*			trans	-108.4	90.8	133.4	-61.7	163.9	0	0	0	102.3	H2180 G2184	H2180-L2182 HydrophobicContact CB-CB 4.37Å; H2180-L2182 HydrophobicContact CB-CD1 4.2Å; H2180-L2182 HydrophobicContact CB-CG 3.79Å; L2182-G2184 WeakPolarHBondContact CD2-O 3.01Å
2183	S	24	Very low	26.5	Very low	74 Å²	74	116.9 Å²	116.9	52%	0.517	63%	0.625	S	S	.	*			cis	34.8	87.2	4.1	-46.7	0	0	0	0	116	Q2181	Q2181-S2183 CarbonylContact C-O 3.06Å; Q2181-S2183 PolarHBondContact NE2-OG 3.3Å; Q2181-S2183 VanDerWaalsContact OE1-CB 3.23Å
2184	G	21.1	Very low	27.1	Very low	31 Å²	31	117.2 Å²	117.2	32%	0.32	63%	0.629	S	S	.	*			trans	77.4	81.3	-169.9	0	0	0	0	0	108.3	L2182	L2182-G2184 WeakPolarHBondContact CD2-O 3.01Å
2185	I	23.4	Very low	27.5	Very low	149 Å²	149	118.2 Å²	118.2	76%	0.764	63%	0.626	S	S	*	*	S	Bend	cis	-119.9	115.7	44.9	-56	178	0	0	0	110
2186	Q	28.3	Very low	28.3	Very low	119 Å²	119	121.4 Å²	121.4	56%	0.556	64%	0.635	S	S	*	*	S	Bend	cis	-148.2	128.9	0.1	-99.4	153	-46.1	0	0	110.6	N2188	Q2186-N2188 PolarHBondContact NE2-O 2.81Å
2187	E	25.5	Very low	28.9	Very low	149 Å²	149	120.3 Å²	120.3	70%	0.696	63%	0.63	S	S	*	*	S	Bend		-83	159.1	104.9	-162.2	-169.7	-111.4	0	0	105.4
2188	N	27	Very low	28.8	Very low	94 Å²	94	121.3 Å²	121.3	50%	0.503	64%	0.636	S	S	.	*			trans	88	33.4	-169.3	-49.9	-75.1	0	0	0	117.1	Q2186 S2190	Q2186-N2188 PolarHBondContact NE2-O 2.81Å; N2188-S2190 VanDerWaalsContact CA-CB 3.49Å; N2188-S2190 WeakPolarHBondContact CA-OG 3.49Å; N2188-S2190 VanDerWaalsContact OD1-CB 3.31Å; N2188-S2190 WeakPolarHBondContact OD1-CB 3.25Å; N2188-S2190 PolarHBondContact OD1-OG 2.81Å
2189	L	28.1	Very low	29.1	Very low	98 Å²	98	121.5 Å²	121.5	51%	0.513	64%	0.637	S	S	.	*				-95.1	109.9	101	-73.1	165.7	0	0	0	106.1	Q2191	L2189-Q2191 HydrophobicContact CD2-CB 3.78Å; L2189-Q2191 HydrophobicContact CD2-CG 4.29Å
2190	S	32.2	Very low	29.1	Very low	79 Å²	79	121.4 Å²	121.4	55%	0.552	64%	0.641	S	S	*	*			cis	41.7	23.9	0.6	-39.7	0	0	0	0	118.4	N2188	N2188-S2190 VanDerWaalsContact CA-CB 3.49Å; N2188-S2190 WeakPolarHBondContact CA-OG 3.49Å; N2188-S2190 VanDerWaalsContact OD1-CB 3.31Å; N2188-S2190 WeakPolarHBondContact OD1-CB 3.25Å; N2188-S2190 PolarHBondContact OD1-OG 2.81Å
2191	Q	30	Very low	29.6	Very low	123 Å²	123	122 Å²	122	58%	0.575	65%	0.646	S	S	*	*	S	Bend		-131.1	148.2	117.7	-71	105.4	84.2	0	0	107.1	L2189	L2189-Q2191 HydrophobicContact CD2-CB 3.78Å; L2189-Q2191 HydrophobicContact CD2-CG 4.29Å
2192	R	30.3	Very low	29.6	Very low	216 Å²	216	125.9 Å²	125.9	82%	0.815	66%	0.655	S	S	*	*				5.2	119.3	119.5	-47.1	160.2	-178.2	150.9	-2.2	113.8
2193	N	35.9	Very low	30.1	Very low	141 Å²	141	126 Å²	126	75%	0.754	66%	0.656	S	S	*	*			trans	75.5	119.4	139.8	-50.4	-6.6	0	0	0	120.5
2194	M	43.8	Very low	30.3	Very low	167 Å²	167	132.3 Å²	132.3	82%	0.823	67%	0.668	S	S	*	*			trans	80.4	143.8	140.1	-49.3	-88.8	-95.7	0	0	121.2
2195	N	33.8	Very low	30.9	Very low	135 Å²	135	135.6 Å²	135.6	72%	0.722	69%	0.686	S	S	*	*			trans	76.3	149.6	164.8	-58.2	-18.1	0	0	0	120.7
2196	I	40.6	Very low	31.6	Very low	149 Å²	149	133.9 Å²	133.9	76%	0.764	69%	0.685	S	S	*	*			cis	98.2	131.8	6.3	-62	168.5	0	0	0	115.3
2197	P	37.2	Very low	31.6	Very low	101 Å²	101	134.8 Å²	134.8	66%	0.656	70%	0.699	S	S	*	*			cis	-147.8	-161.9	-21.6	42.2	-20	0	0	0	117.3
2198	T	29.3	Very low	31.8	Very low	121 Å²	121	130.9 Å²	130.9	74%	0.742	70%	0.698	S	S	*	*			trans	74.6	119.8	147.4	47.3	0	0	0	0	126.3
2199	S	29.3	Very low	31.9	Very low	96 Å²	96	131.2 Å²	131.2	67%	0.671	71%	0.708	S	S	*	*				85.2	152.8	120.6	81.1	0	0	0	0	125.8
2200	N	26.4	Very low	31.9	Very low	124 Å²	124	132 Å²	132	66%	0.663	72%	0.721	S	S	*	*			trans	84.8	122.1	145.8	-73.5	-48.5	0	0	0	123.9
2201	M	29.3	Very low	31.7	Very low	151 Å²	151	133.7 Å²	133.7	74%	0.744	73%	0.733	S	S	*	*				29	154.1	128.1	-44.9	-174.8	-170.6	0	0	120.2
2202	R	27.9	Very low	31.7	Very low	202 Å²	202	131.3 Å²	131.3	76%	0.762	74%	0.742	S	S	*	*				173.1	156.5	53.9	-156.2	159.3	177.5	151.3	-0.4	110.7
2203	L	28.2	Very low	31.7	Very low	126 Å²	126	128.7 Å²	128.7	66%	0.66	74%	0.739	S	S	*	*			trans	24.5	138.4	148.5	-63.7	175.1	0	0	0	120.1
2204	R	28.6	Very low	31.3	Very low	207 Å²	207	130.4 Å²	130.4	78%	0.781	74%	0.736	S	S	*	*			cis	-167.8	155.3	38.1	-108.7	145.4	-176.3	-147.6	1.7	107.5
2205	S	34.3	Very low	30.5	Very low	100 Å²	100	129.1 Å²	129.1	70%	0.699	73%	0.733	S	S	*	*				54.5	145.3	76.6	-35.6	0	0	0	0	115.2
2206	P	38.8	Very low	30.2	Very low	114 Å²	114	126.5 Å²	126.5	74%	0.74	73%	0.725	S	S	*	*			cis	-145.6	-166.5	-20.8	39.8	-18.4	0	0	0	115
2207	V	28	Very low	29.6	Very low	138 Å²	138	126.7 Å²	126.7	84%	0.836	73%	0.727	S	S	*	*			trans	62.5	129	144.2	162.5	0	0	0	0	121.8
2208	G	28.8	Very low	29	Very low	66 Å²	66	126.3 Å²	126.3	68%	0.68	73%	0.726	S	S	*	*			trans	97.8	159.6	136	0	0	0	0	0	118
2209	S	28.7	Very low	28.8	Very low	101 Å²	101	126.6 Å²	126.6	71%	0.706	72%	0.723	S	S	*	*			cis	-168.2	161.8	-10.5	-87	0	0	0	0	110.3
2210	S	28.4	Very low	28.7	Very low	114 Å²	114	127.9 Å²	127.9	80%	0.797	72%	0.723	S	S	*	*			trans	66	155.4	153.3	30.1	0	0	0	0	118.8
2211	S	29.1	Very low	28.6	Very low	115 Å²	115	128.6 Å²	128.6	80%	0.804	73%	0.727	S	S	*	*			cis	-166	150.9	-6.1	39.9	0	0	0	0	112
2212	G	29.2	Very low	29.1	Very low	74 Å²	74	128.9 Å²	128.9	76%	0.763	73%	0.729	S	S	*	*			trans	95.2	142.7	155.6	0	0	0	0	0	115.5
2213	Q	30	Very low	29.3	Very low	160 Å²	160	124.6 Å²	124.6	75%	0.748	73%	0.728	S	S	*	*			cis	-147.6	145.3	2.3	-101.4	-177.4	-0.5	0	0	112.5
2214	Y	28.5	Very low	29.9	Very low	177 Å²	177	124.9 Å²	124.9	69%	0.694	74%	0.735	S	S	*	*			trans	56.2	112.2	152.2	-61.2	-52.5	0	0	0	121.6
2215	N	26.7	Very low	30.1	Very low	140 Å²	140	121.1 Å²	121.1	75%	0.749	74%	0.737	S	S	*	*				70.6	145.9	116.3	-65.6	12.9	0	0	0	120.2
2216	S	27.3	Very low	29.7	Very low	81 Å²	81	119.5 Å²	119.5	57%	0.566	74%	0.736	S	S	*	*			cis	-171.9	145	-11.1	44.7	0	0	0	0	109.6
2217	D	27.4	Very low	29	Very low	152 Å²	152	120.8 Å²	120.8	81%	0.813	74%	0.741	S	S	*	*			trans	61.4	160.6	147.4	-58.9	-22.2	0	0	0	119.2
2218	C	25.6	Very low	28.9	Very low	93 Å²	93	119.2 Å²	119.2	63%	0.628	73%	0.732	S	S	*	*			cis	-162.1	175	-36.8	60.3	0	0	0	0	108.3
2219	N	23.9	Very low	28.7	Very low	127 Å²	127	125 Å²	125	68%	0.679	74%	0.739	S	S	*	*			trans	60.5	122.1	154.5	-75.7	-54.6	0	0	0	121.4
2220	N	28.4	Very low	28.5	Very low	124 Å²	124	123.8 Å²	123.8	66%	0.663	73%	0.731	S	S	*	*				37.7	140.6	109.8	-58.7	-49.6	0	0	0	121.5
2221	N	24.5	Very low	28.3	Very low	139 Å²	139	124.6 Å²	124.6	74%	0.743	73%	0.726	S	S	*	*			trans	81.5	119.3	160.5	-47.6	-37.9	0	0	0	115.9
2222	I	40	Very low	28.1	Very low	156 Å²	156	127.4 Å²	127.4	80%	0.8	72%	0.724	S	S	*	*				46.5	110	80	-57	175.8	0	0	0	109.9
2223	P	30.2	Very low	28	Very low	113 Å²	113	129.7 Å²	129.7	73%	0.734	72%	0.716	S	S	*	*				-150	164.4	70.7	42.5	-25	0	0	0	118.4
2224	T	42.2	Very low	27.8	Very low	132 Å²	132	128.6 Å²	128.6	81%	0.81	71%	0.711	S	S	*	*			trans	-65.7	147.7	153.4	48.3	0	0	0	0	110.1
2225	P	31.3	Very low	27.7	Very low	128 Å²	128	126.5 Å²	126.5	83%	0.831	71%	0.707	S	S	*	*				-153.1	165.6	89.1	40	-22.5	0	0	0	116.1
2226	G	26.5	Very low	27.5	Very low	65 Å²	65	125.9 Å²	125.9	67%	0.67	70%	0.704	S	S	*	*			trans	137	124.1	156.3	0	0	0	0	0	113.7
2227	V	25.1	Very low	27.5	Very low	141 Å²	141	127.4 Å²	127.4	86%	0.855	71%	0.71	S	S	*	*			cis	61.3	113.9	27.9	-172.6	0	0	0	0	110.6
2228	V	24.3	Very low	27.4	Very low	106 Å²	106	126.8 Å²	126.8	64%	0.642	70%	0.702	S	S	*	*			cis	-168.2	160.7	-5.2	85.5	0	0	0	0	109.6
2229	F	25	Very low	27.4	Very low	187 Å²	187	130.2 Å²	130.2	82%	0.82	71%	0.706	S	S	*	*			trans	60	178.6	166.8	-71.1	-166.3	0	0	0	113.7
2230	S	24.9	Very low	27.5	Very low	76 Å²	76	128.2 Å²	128.2	53%	0.531	69%	0.693	S	S	.	*			cis	-134.1	161.7	-21.6	-126	0	0	0	0	107.3
2231	N	24.4	Very low	27.4	Very low	130 Å²	130	131.6 Å²	131.6	70%	0.695	70%	0.696	S	S	*	*				29.5	152.7	94.2	-51.4	-65	0	0	0	116.9
2232	F	25	Very low	27.4	Very low	174 Å²	174	133.9 Å²	133.9	76%	0.763	70%	0.695	S	S	*	*			trans	70.6	135.3	171.5	-64	-93.7	0	0	0	116.6
2233	M	26.5	Very low	26.7	Very low	123 Å²	123	135 Å²	135	61%	0.606	69%	0.689	S	S	*	*			cis	-175.3	159.4	-30.1	-128.6	-179.7	-174.5	0	0	106.7
2234	H	26.4	Very low	26.4	Very low	136 Å²	136	136.1 Å²	136.1	63%	0.63	68%	0.684	S	S	*	*			trans	68	156.2	144.7	-71.5	-9.5	0	0	0	116.4
2235	Q	25.3	Very low	25.4	Very low	134 Å²	134	136.5 Å²	136.5	63%	0.626	68%	0.681	S	S	*	*			cis	-143.6	167.5	-10.2	-128	162.7	24.8	0	0	109.5
2236	N	24.5	Very low	25.1	Very low	127 Å²	127	133.3 Å²	133.3	68%	0.679	66%	0.662	S	S	*	*				-4.6	128.4	128.5	-45.3	-15.8	0	0	0	112.1
2237	T	25.7	Very low	25	Very low	113 Å²	113	136.1 Å²	136.1	69%	0.693	66%	0.657	S	S	*	*				161.6	173.7	93	45.7	0	0	0	0	107.6
2238	H	26.1	Very low	24.9	Very low	139 Å²	139	134.9 Å²	134.9	64%	0.644	65%	0.645	S	S	*	*			cis	-112.3	167.4	-6.7	-109.6	-103	0	0	0	105.8
2239	K	25.8	Very low	25	Very low	164 Å²	164	134 Å²	134	71%	0.713	64%	0.644	S	S	*	*				47.5	142.5	64.6	-99.2	170.5	175.8	179.2	0	109.9
2240	E	25.5	Very low	25.1	Very low	85 Å²	85	129.9 Å²	129.9	40%	0.397	64%	0.638	S	S	.	*			cis	-153.9	134.2	35.7	-155	65.7	-151	0	0	101.2
2241	R	25.8	Very low	25.1	Very low	196 Å²	196	131.1 Å²	131.1	74%	0.74	65%	0.647	S	S	*	*				51.1	135.8	73.1	-171.4	-153.4	-160.3	-174.2	4.4	110.6
2242	R	24.5	Very low	25.2	Very low	187 Å²	187	131.7 Å²	131.7	71%	0.706	65%	0.65	S	S	*	*			trans	86.1	143.2	-169.5	-59.6	168.3	175.7	168.2	-1.2	112.3
2243	R	25.1	Very low	25.2	Very low	180 Å²	180	131.2 Å²	131.2	68%	0.679	65%	0.653	S	S	*	*			cis	-146.9	141.8	-1.1	-117.4	167.5	175.6	157.7	0.5	109.1
2244	Q	24.1	Very low	25.1	Very low	135 Å²	135	129.2 Å²	129.2	63%	0.631	66%	0.656	S	S	*	*				44.7	129.7	100.9	-61.7	-175.1	-71.1	0	0	114.1
2245	N	23	Very low	25.1	Very low	141 Å²	141	127 Å²	127	75%	0.754	66%	0.656	S	S	*	*			trans	70.9	149	146.9	-64.1	25.2	0	0	0	114.7
2246	S	23.5	Very low	25.4	Very low	60 Å²	60	128.9 Å²	128.9	42%	0.42	67%	0.665	S	S	.	*			cis	168.7	176.5	-3.8	48.4	0	0	0	0	107.3
2247	H	24	Very low	26	Very low	125 Å²	125	128.2 Å²	128.2	58%	0.579	67%	0.67	S	S	*	*			trans	80	109	144.2	-65.8	-29.1	0	0	0	118.2	H940 D941	H940-H2247 PolarHBondContact CD2-O 3Å; D941-H2247 WeakPolarHBondContact OD2-CA 3.38Å; D941-H2247 PolarHBondContact OD2-N 2.69Å
2248	L	24.6	Very low	26.3	Very low	115 Å²	115	128.5 Å²	128.5	60%	0.602	67%	0.674	S	S	*	*				86	137.9	125.1	-66.8	171.9	0	0	0	119.5	D941	D941-L2248 PolarHBondContact OD2-N 3.4Å
2249	S	25	Very low	26.5	Very low	87 Å²	87	125.1 Å²	125.1	61%	0.608	68%	0.677	S	S	*	*			trans	63.8	106.8	146.5	-59.1	0	0	0	0	116.9
2250	S	28.4	Very low	26.6	Very low	100 Å²	100	123.4 Å²	123.4	70%	0.699	68%	0.68	S	S	*	*				47.3	76.7	50.8	-66.1	0	0	0	0	115.5
2251	S	24.7	Very low	26.6	Very low	102 Å²	102	124.7 Å²	124.7	71%	0.713	69%	0.693	S	S	*	*			trans	-156.7	123.6	135	35.3	0	0	0	0	109.8
2252	N	26.9	Very low	26.7	Very low	143 Å²	143	120 Å²	120	77%	0.765	69%	0.69	S	S	*	*				69.8	149.3	58.2	-77.8	-47	0	0	0	114.1
2253	I	23.8	Very low	26.9	Very low	163 Å²	163	118.1 Å²	118.1	84%	0.836	69%	0.69	S	S	*	*			trans	71.2	123.8	171.4	-51.9	123.4	0	0	0	113
2254	A	25.1	Very low	27	Very low	81 Å²	81	111.1 Å²	111.1	67%	0.669	67%	0.668	S	S	*	*			cis	-161.9	-170.9	-12.7	0	0	0	0	0	105.9
2255	S	26.5	Very low	27.4	Very low	89 Å²	89	106.4 Å²	106.4	62%	0.622	65%	0.65	S	S	*	*			cis	-162.5	159.3	17.3	-27.9	0	0	0	0	110.9
2256	H	30.7	Very low	27.7	Very low	174 Å²	174	104.5 Å²	104.5	81%	0.806	64%	0.64	S	S	*	*			trans	49.7	100.2	146.7	-52.2	-37.8	0	0	0	116.9
2257	S	36.6	Very low	28	Very low	113 Å²	113	108.5 Å²	108.5	79%	0.79	65%	0.646	S	S	*	*				35	118.7	68.4	-61	0	0	0	0	112.5
2258	P	33.7	Very low	28.2	Very low	120 Å²	120	107 Å²	107	78%	0.779	64%	0.641	S	S	*	*			cis	-117.1	164.9	46.8	38.2	-31	0	0	0	113.8
2259	G	28.7	Very low	28.4	Very low	68 Å²	68	105.3 Å²	105.3	70%	0.701	63%	0.631	S	S	*	*			cis	107.1	-173.9	13.4	0	0	0	0	0	111.6
2260	V	27.8	Very low	28.6	Very low	128 Å²	128	103.1 Å²	103.1	78%	0.776	62%	0.615	S	S	*	*			trans	60.8	80.3	-178.5	-166.7	0	0	0	0	112.6
2261	V	26.7	Very low	28.9	Very low	112 Å²	112	101.3 Å²	101.3	68%	0.679	60%	0.601	S	S	*	*				58.5	99.9	86.2	-178.6	0	0	0	0	113.2
2262	S	27.6	Very low	29	Very low	98 Å²	98	98.6 Å²	98.6	69%	0.685	58%	0.581	S	S	*	*				-169.9	122	125.3	-87.7	0	0	0	0	109.7
2263	Q	28.5	Very low	29.2	Very low	147 Å²	147	96.1 Å²	96.1	69%	0.687	57%	0.571	S	S	*	*				70.5	150.2	74.1	-74.1	-172.9	45.7	0	0	113.1	T2089	T2089-Q2263 CarbonylContact O-C 3.53Å; T2089-Q2263 VanDerWaalsContact O-O 3.1Å
2264	S	27.6	Very low	29.3	Very low	32 Å²	32	93.5 Å²	93.5	22%	0.224	56%	0.555	C	S	.	*			cis	-154	178	-27.4	70.3	0	0	0	0	111	T2089	T2089-S2264 CarbonylContact C-O 3.35Å; T2089-S2264 WeakPolarHBondContact CA-O 3.16Å; T2089-S2264 PolarHBondContact N-O 2.89Å; T2089-S2264 CarbonylContact O-C 3.55Å; T2089-S2264 PolarHBondContact O-N 3.16Å; T2089-S2264 PolarHBondContact OG1-O 3.04Å
2265	S	32	Very low	29.3	Very low	37 Å²	37	97.3 Å²	97.3	26%	0.259	55%	0.553	S	S	.	*			trans	64.9	155.2	159.7	-53.2	0	0	0	0	117.6	S2088 T2089	S2088-S2265 CarbonylContact C-O 3.49Å; S2088-S2265 PolarHBondContact N-O 2.72Å; S2088-S2265 VanDerWaalsContact OG-C 3.29Å; S2088-S2265 PolarHBondContact OG-O 3.2Å; T2089-S2265 WeakPolarHBondContact CB-O 3.17Å; T2089-S2265 VanDerWaalsContact CG2-O 3.27Å; T2089-S2265 WeakPolarHBondContact CG2-O 2.87Å; T2089-S2265 PolarHBondContact N-O 2.93Å; T2089-S2265 VanDerWaalsContact N-O 3.14Å; T2089-S2265 PolarHBondContact OG1-O 3.12Å
2266	N	29.4	Very low	29.3	Very low	101 Å²	101	96.6 Å²	96.6	54%	0.54	55%	0.548	S	S	.	.			cis	-137.7	109.1	-41.6	-109.9	-33.5	0	0	0	111.8	F2087	F2087-N2266 WeakPolarHBondContact CD1-OD1 3.37Å; F2087-N2266 WeakPolarHBondContact CE1-OD1 3.4Å
2267	R	30.6	Very low	29	Very low	144 Å²	144	94.8 Å²	94.8	54%	0.543	54%	0.54	S	S	.	.				-10.5	137.8	121.3	175.3	-141.9	-158.5	-174.8	9.1	112.6
2268	L	27.7	Very low	28.3	Very low	93 Å²	93	94.1 Å²	94.1	49%	0.487	54%	0.535	S	S	.	.			trans	-173.4	151.2	135.7	-104.1	164.5	0	0	0	113
2269	Q	28.4	Very low	27.8	Very low	80 Å²	80	96.8 Å²	96.8	37%	0.374	54%	0.537	S	S	.	.			trans	75.7	145.6	145.2	-91.2	149.4	-16.6	0	0	118.5	H1000 Q1001 L1002	H1000-Q2269 HydrophobicContact CB-CB 3.58Å; H1000-Q2269 VanDerWaalsContact O-CB 3.25Å; H1000-Q2269 WeakPolarHBondContact O-CB 3.02Å; H1000-Q2269 VanDerWaalsContact O-CG 3.26Å; H1000-Q2269 WeakPolarHBondContact O-CG 3.09Å; H1000-Q2269 PolarHBondContact O-OE1 2.83Å; Q1001-Q2269 HydrophobicContact CB-CB 4.36Å; Q1001-Q2269 PolarHBondContact NE2-O 2.93Å; Q1001-Q2269 CarbonylContact O-C 3.53Å; Q1001-Q2269 WeakPolarHBondContact O-CA 3.37Å; Q1001-Q2269 WeakPolarHBondContact O-CB 3.01Å; Q1001-Q2269 WeakPolarHBondContact O-CG 3.12Å; L1002-Q2269 HydrophobicContact CG-CG 4.38Å
2270	S	28.5	Very low	27.6	Very low	40 Å²	40	97.9 Å²	97.9	28%	0.28	53%	0.534	S	S	.	.			trans	-141.9	154.7	-164.7	66.9	0	0	0	0	117	Q1001 L1002 G1003	Q1001-S2270 CarbonylContact C-O 3.08Å; Q1001-S2270 VanDerWaalsContact C-O 3.31Å; Q1001-S2270 PolarHBondContact O-N 2.84Å; L1002-S2270 CarbonylContact C-O 3.42Å; L1002-S2270 WeakPolarHBondContact CA-O 3.29Å; L1002-S2270 PolarHBondContact N-O 3.21Å; G1003-S2270 PolarHBondContact N-O 2.74Å
2271	P	34.3	Very low	27.5	Very low	63 Å²	63	99.4 Å²	99.4	41%	0.409	53%	0.526	S	S	.	.			trans	-123.1	112.1	-150.1	29.2	-10.5	0	0	0	118.3	Q1001 Q1004	Q1001-P2271 HydrophobicContact CG-CB 3.56Å; Q1001-P2271 HydrophobicContact CG-CG 4.12Å; Q1004-P2271 WeakPolarHBondContact CG-O 2.93Å; Q1004-P2271 PolarHBondContact NE2-O 3.44Å
2272	P	28.6	Very low	27.4	Very low	44 Å²	44	97.6 Å²	97.6	29%	0.286	52%	0.518	S	S	.	.			trans	-105.8	158.5	174.1	40.9	-37.9	0	0	0	115.8	L1002 Q1004 F1007	L1002-P2272 WeakPolarHBondContact O-CD 3.15Å; Q1004-P2272 HydrophobicContact CB-CB 4.48Å; Q1004-P2272 HydrophobicContact CG-CB 3.77Å; F1007-P2272 HydrophobicContact CD2-CB 4Å; F1007-P2272 HydrophobicContact CE2-CB 3.99Å; F1007-P2272 HydrophobicContact CE2-CG 4.11Å
2273	V	30.6	Very low	27.3	Very low	92 Å²	92	98.3 Å²	98.3	56%	0.558	51%	0.509	S	S	*	.			trans	-57.3	141.8	152.2	177.5	0	0	0	0	111.9
2274	H	25.4	Very low	27.1	Very low	108 Å²	108	95.5 Å²	95.5	50%	0.5	51%	0.506	S	S	.	.			trans	-139.4	146.1	145.5	-139.9	-44.2	0	0	0	113.1	F1007	F1007-H2274 AromaticContact CE1-CD2 3.7Å; F1007-H2274 AromaticContact CE1-NE2 3.32Å; F1007-H2274 VanDerWaalsContact CE1-NE2 3.32Å; F1007-H2274 WeakPolarHBondContact CE1-NE2 3.04Å; F1007-H2274 AromaticContact CZ-CD2 3.22Å; F1007-H2274 WeakPolarHBondContact CZ-CD2 3.36Å; F1007-H2274 AromaticContact CZ-NE2 3.37Å; F1007-H2274 WeakPolarHBondContact CZ-NE2 3.13Å
2275	Y	25.4	Very low	27.1	Very low	160 Å²	160	100 Å²	100	63%	0.627	53%	0.527	S	S	*	.			trans	-53.1	136.4	179.9	-77	-77.8	0	0	0	118.7	R974	R974-Y2275 VanDerWaalsContact NH1-CD1 3.29Å
2276	S	25.5	Very low	26.9	Very low	74 Å²	74	102.7 Å²	102.7	52%	0.517	54%	0.538	S	S	.	.				52.9	146.2	126.5	-42.7	0	0	0	0	125.4	R974	R974-S2276 VanDerWaalsContact NH1-CB 3.33Å; R974-S2276 PolarHBondContact NH1-OG 2.9Å
2277	H	24.8	Very low	26.8	Very low	137 Å²	137	103 Å²	103	63%	0.634	54%	0.54	S	S	*	.			trans	79.6	133.9	147.3	-71.7	-63.9	0	0	0	121.1
2278	S	22.6	Very low	26.6	Very low	98 Å²	98	101.6 Å²	101.6	69%	0.685	54%	0.543	S	S	*	.			trans	61.5	148.5	154.4	33.1	0	0	0	0	118.8
2279	E	23.5	Very low	26.6	Very low	176 Å²	176	102.4 Å²	102.4	82%	0.822	55%	0.548	S	S	*	.			cis	-159.6	166.8	-21.4	-123	169.2	136.3	0	0	110
2280	S	23.8	Very low	26.6	Very low	91 Å²	91	102.8 Å²	102.8	64%	0.636	55%	0.553	S	S	*	*			trans	49.6	121.7	157	62.3	0	0	0	0	123
2281	R	25.5	Very low	26.7	Very low	161 Å²	161	107.2 Å²	107.2	61%	0.608	57%	0.574	S	S	*	*			trans	69.5	155.6	136.5	-64.8	-177.1	-161	150.2	11.4	118.4	K1570 R1571 S1572	K1570-R2281 PolarHBondContact O-NH2 2.98Å; R1571-R2281 PolarHBondContact O-NH1 3.35Å; S1572-R2281 PolarHBondContact O-NH1 3.4Å
2282	S	24.2	Very low	26.5	Very low	73 Å²	73	109.6 Å²	109.6	51%	0.51	58%	0.583	S	S	.	*			cis	-162.1	173.4	-18	-94.8	0	0	0	0	109.4
2283	F	25.7	Very low	26.5	Very low	113 Å²	113	113.6 Å²	113.6	50%	0.496	60%	0.602	S	S	.	*			trans	67.7	118.3	174.6	-60.7	-73.9	0	0	0	115.4	F1573 I1574	F1573-F2283 WeakPolarHBondContact O-CE2 3.46Å; I1574-F2283 VanDerWaalsContact N-CZ 3.28Å; I1574-F2283 WeakPolarHBondContact O-CE2 3.45Å; I1574-F2283 WeakPolarHBondContact O-CZ 3.29Å
2284	S	25.9	Very low	26.6	Very low	89 Å²	89	120 Å²	120	62%	0.622	62%	0.616	S	S	*	*				75.2	136.5	52.3	-59.1	0	0	0	0	112.7
2285	N	26.7	Very low	27	Very low	125 Å²	125	120.9 Å²	120.9	67%	0.668	63%	0.629	S	S	*	*			trans	65.4	150.2	161.2	-69.8	44	0	0	0	114.9
2286	D	27.5	Very low	27.5	Very low	94 Å²	94	118.7 Å²	118.7	50%	0.503	63%	0.634	S	S	.	*			cis	-145.5	172.7	-3.6	-130.1	-16.9	0	0	0	114.4
2287	N	27.2	Very low	27.8	Very low	109 Å²	109	121 Å²	121	58%	0.583	65%	0.645	S	S	*	*				18	135.7	129.3	-64.5	-21.6	0	0	0	116.8
2288	N	27.7	Very low	28.2	Very low	113 Å²	113	119.8 Å²	119.8	60%	0.604	65%	0.65	S	S	*	*			cis	-171.9	174.2	21	-129.6	-7.7	0	0	0	115.6
2289	N	27.8	Very low	28.5	Very low	110 Å²	110	119.5 Å²	119.5	59%	0.588	65%	0.654	S	S	*	*				19.9	144.1	121.9	-62.3	-1.8	0	0	0	119.3
2290	N	28.3	Very low	28.7	Very low	88 Å²	88	115.2 Å²	115.2	47%	0.471	65%	0.648	S	S	.	*			cis	-163.8	139.4	-1	-113	-12.2	0	0	0	113
2291	N	30.7	Very low	28.8	Very low	134 Å²	134	117.3 Å²	117.3	72%	0.717	65%	0.652	S	S	*	*			trans	48.9	-143.1	133.9	-50.4	-17.3	0	0	0	115.8
2292	N	28.6	Very low	28.9	Very low	112 Å²	112	120 Å²	120	60%	0.599	66%	0.662	S	S	*	*			trans	69.3	83.4	153.5	-62.3	-15.1	0	0	0	114.3
2293	N	28.2	Very low	29	Very low	128 Å²	128	123.4 Å²	123.4	68%	0.684	67%	0.673	S	S	*	*				70.7	93.1	91.8	-65.8	-14.6	0	0	0	110.6
2294	R	34.5	Very low	29.1	Very low	227 Å²	227	124.1 Å²	124.1	86%	0.857	68%	0.678	S	S	*	*				-145.6	152.7	99.1	-76.2	116.1	-158.9	-113.1	-0.6	106.8
2295	T	32	Very low	29.2	Very low	126 Å²	126	127 Å²	127	77%	0.773	68%	0.682	S	S	*	*				53.3	152.3	50.7	58.3	0	0	0	0	112.4
2296	P	35.9	Very low	29.1	Very low	114 Å²	114	125.2 Å²	125.2	74%	0.74	68%	0.679	S	S	*	*			cis	-128.3	-178.9	11	34.2	-12.5	0	0	0	115.6
2297	T	32.8	Very low	29	Very low	122 Å²	122	128.3 Å²	128.3	75%	0.748	69%	0.694	S	S	*	*			trans	-44	179.7	141.2	47.6	0	0	0	0	114.1
2298	P	33.3	Very low	28.9	Very low	112 Å²	112	128.5 Å²	128.5	73%	0.727	70%	0.704	S	S	*	*			cis	-136.2	-165.3	-6.3	30.9	-7.3	0	0	0	114
2299	A	28	Very low	28.9	Very low	93 Å²	93	126.1 Å²	126.1	77%	0.769	71%	0.706	S	S	*	*			trans	82	168.2	130.6	0	0	0	0	0	121.5
2300	A	28.6	Very low	29	Very low	85 Å²	85	128 Å²	128	70%	0.702	72%	0.717	S	S	*	*			trans	67.6	94.9	168.6	0	0	0	0	0	116.7
2301	N	26.6	Very low	28.8	Very low	135 Å²	135	130.4 Å²	130.4	72%	0.722	73%	0.729	S	S	*	*				65.3	126.3	75.3	-75.6	-38.9	0	0	0	115
2302	R	26.4	Very low	28.5	Very low	219 Å²	219	130.1 Å²	130.1	83%	0.826	73%	0.728	S	S	*	*			trans	66.1	171.5	152.4	-55.8	164.8	-176	-168.7	0.3	113.3
2303	I	25.8	Very low	28.3	Very low	144 Å²	144	129.5 Å²	129.5	74%	0.738	73%	0.732	S	S	*	*			cis	-116.9	115.7	1.3	-75.7	174.7	0	0	0	109.6
2304	H	29	Very low	28	Very low	128 Å²	128	127.4 Å²	127.4	59%	0.593	73%	0.728	S	S	*	*			trans	74.4	150.8	145.9	-69	-153.2	0	0	0	117
2305	Q	27.5	Very low	27.6	Very low	150 Å²	150	125.5 Å²	125.5	70%	0.701	73%	0.726	S	S	*	*				50.1	138.9	79.3	-31.1	154.9	2.5	0	0	111.6
2306	S	25	Very low	27.2	Very low	87 Å²	87	122.6 Å²	122.6	61%	0.608	72%	0.721	S	S	*	*			cis	-155.9	144.6	35.8	-60.2	0	0	0	0	114.5
2307	L	25	Very low	26.7	Very low	158 Å²	158	124.1 Å²	124.1	83%	0.827	73%	0.728	S	S	*	*			trans	65	170.3	139.8	-64.9	164.8	0	0	0	119.5
2308	S	24.7	Very low	26.4	Very low	113 Å²	113	121.1 Å²	121.1	79%	0.79	72%	0.721	S	S	*	*			trans	17	131.4	148.7	58.7	0	0	0	0	119.2
2309	G	27.8	Very low	26.1	Very low	63 Å²	63	120.9 Å²	120.9	65%	0.649	72%	0.722	S	S	*	*			cis	-169.5	179.6	10.5	0	0	0	0	0	111.2
2310	N	29.3	Very low	25.9	Very low	151 Å²	151	122 Å²	122	81%	0.807	72%	0.72	S	S	*	*			cis	52.2	132.8	45	-74	13.3	0	0	0	112.3
2311	N	24.6	Very low	25.9	Very low	138 Å²	138	124 Å²	124	74%	0.738	72%	0.723	S	S	*	*			trans	73.3	135.8	175.6	-56.1	28.7	0	0	0	113.6
2312	D	24.4	Very low	26.3	Very low	127 Å²	127	123.4 Å²	123.4	68%	0.679	73%	0.726	S	S	*	*			cis	-154.1	131.2	0	-118	-30.2	0	0	0	114.8
2313	S	23.9	Very low	26.4	Very low	99 Å²	99	116.9 Å²	116.9	69%	0.692	73%	0.727	S	S	*	*				67.6	178	129.3	82.4	0	0	0	0	121.8
2314	S	23.4	Very low	26.6	Very low	85 Å²	85	113.8 Å²	113.8	59%	0.594	73%	0.731	S	S	*	*			trans	82.1	130.1	142.6	-170	0	0	0	0	120.5
2315	F	24.7	Very low	26.5	Very low	187 Å²	187	111.9 Å²	111.9	82%	0.82	75%	0.746	S	S	*	*			trans	-5.7	137.1	133.2	-42.8	-92.1	0	0	0	115.2
2316	G	25.3	Very low	26.6	Very low	65 Å²	65	108.5 Å²	108.5	67%	0.67	75%	0.751	S	S	*	*			cis	84.8	160.2	25.8	0	0	0	0	0	111.5
2317	V	24.1	Very low	26.8	Very low	146 Å²	146	108.6 Å²	108.6	89%	0.885	77%	0.766	S	S	*	*			trans	69.4	144.3	-173.9	-166.6	0	0	0	0	112.4
2318	G	26.1	Very low	26.9	Very low	58 Å²	58	105.2 Å²	105.2	60%	0.598	77%	0.769	S	S	*	*			cis	-148	179.5	-0.9	0	0	0	0	0	111.7
2319	S	27	Very low	27.1	Very low	107 Å²	107	103.7 Å²	103.7	75%	0.748	77%	0.771	S	S	*	*				71.5	133.5	79.2	-58.8	0	0	0	0	112.1
2320	T	25	Very low	27.2	Very low	118 Å²	118	108.6 Å²	108.6	72%	0.724	78%	0.781	S	S	*	*			cis	-160.8	140.1	17	10.8	0	0	0	0	107.6
2321	V	28.4	Very low	27.4	Very low	126 Å²	126	106.9 Å²	106.9	76%	0.764	78%	0.778	S	S	*	*				67.1	138.3	74.2	168.6	0	0	0	0	112.4
2322	P	34.4	Very low	27.7	Very low	123 Å²	123	105.7 Å²	105.7	80%	0.799	78%	0.778	S	S	*	*			cis	-141.9	-171.1	-19.3	40.5	-21.1	0	0	0	116
2323	G	29	Very low	28.1	Very low	81 Å²	81	103.8 Å²	103.8	84%	0.835	78%	0.779	S	S	*	*			trans	95	154.3	150.9	0	0	0	0	0	117.7
2324	G	28.9	Very low	28.4	Very low	80 Å²	80	108.1 Å²	108.1	83%	0.825	79%	0.789	S	S	*	*			cis	167.9	136.8	-10.8	0	0	0	0	0	114.4
2325	G	28.9	Very low	28.7	Very low	88 Å²	88	112.5 Å²	112.5	91%	0.907	81%	0.805	S	S	*	*			trans	80.1	159.3	175.1	0	0	0	0	0	115.9
2326	G	29.7	Very low	29	Very low	79 Å²	79	107.9 Å²	107.9	81%	0.814	80%	0.801	S	S	*	*			cis	166.8	131.8	-10.5	0	0	0	0	0	113.8
2327	G	28.8	Very low	29.3	Very low	89 Å²	89	113.3 Å²	113.3	92%	0.918	81%	0.809	S	S	*	*			trans	75.6	159.2	178.2	0	0	0	0	0	115
2328	G	27.3	Very low	29.7	Very low	86 Å²	86	114.6 Å²	114.6	89%	0.887	81%	0.81	S	S	*	*			cis	156.7	126.1	-9	0	0	0	0	0	112
2329	G	28.2	Very low	30.1	Very low	82 Å²	82	115.3 Å²	115.3	85%	0.845	81%	0.81	S	S	*	*			trans	153.1	113.4	175.9	0	0	0	0	0	115.2
2330	I	29.6	Very low	30.6	Very low	165 Å²	165	117.1 Å²	117.1	85%	0.846	81%	0.806	S	S	*	*			trans	-118.8	135.4	164.9	-55.2	161.5	0	0	0	102.9
2331	P	32.6	Very low	31.1	Very low	115 Å²	115	118.8 Å²	118.8	75%	0.747	81%	0.81	S	S	*	*				-154.2	-144.8	75.2	36.5	-8.7	0	0	0	114.1
2332	P	31	Very low	31.4	Very low	114 Å²	114	116.4 Å²	116.4	74%	0.74	80%	0.804	S	S	*	*				-132.2	-167.3	-85.4	43.4	-26.7	0	0	0	114.5
2333	A	33.3	Very low	31.4	Very low	86 Å²	86	117.8 Å²	117.8	71%	0.711	80%	0.8	S	S	*	*			trans	67.5	109.5	166.3	0	0	0	0	0	115.7
2334	Q	31.3	Very low	31.7	Very low	191 Å²	191	122.2 Å²	122.2	89%	0.893	80%	0.801	S	S	*	*			cis	61.1	147	36.8	-57.3	-171.4	-46	0	0	116.2
2335	L	29.1	Very low	31.8	Very low	177 Å²	177	121.2 Å²	121.2	93%	0.927	78%	0.781	S	S	*	*			trans	86.3	60.5	160.7	-150.5	78.3	0	0	0	118.8
2336	A	30.4	Very low	31.9	Very low	89 Å²	89	120.5 Å²	120.5	74%	0.736	77%	0.774	S	S	*	*	S	Bend	trans	-146.6	-50.1	164.8	0	0	0	0	0	116.2	L2338	A2336-L2338 PolarHBondContact O-N 2.73Å
2337	Q	32.9	Very low	31.9	Very low	180 Å²	180	122.1 Å²	122.1	84%	0.841	76%	0.763	S	S	*	*	G	3₁₀ helix	trans	-84.6	-1.1	-162.6	-75.6	169.6	-31.2	0	0	116.5	A2339 H2340	Q2337-A2339 PolarHBondContact O-N 2.78Å; Q2337-H2340 PolarHBondContact O-N 3.45Å
2338	L	32.2	Very low	32.1	Very low	172 Å²	172	119.1 Å²	119.1	90%	0.901	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-62.2	-10.4	176.8	-143.3	79.5	0	0	0	113.8	A2336	A2336-L2338 PolarHBondContact O-N 2.73Å
2339	A	33.5	Very low	32.2	Very low	73 Å²	73	120.7 Å²	120.7	60%	0.603	72%	0.722	S	S	*	*	G	3₁₀ helix	trans	-76.1	-17.8	177.7	0	0	0	0	0	114.7	Q2337	Q2337-A2339 PolarHBondContact O-N 2.78Å
2340	H	37.6	Very low	32.4	Very low	145 Å²	145	120 Å²	120	67%	0.671	72%	0.715	S	S	*	*	S	Bend	trans	-88.8	-19.9	-169.2	-143.8	-56.4	0	0	0	114.9	Q2337 A2342	Q2337-H2340 PolarHBondContact O-N 3.45Å; H2340-A2342 VanDerWaalsContact C-N 3.32Å
2341	L	35.5	Very low	32.4	Very low	153 Å²	153	119.3 Å²	119.3	80%	0.801	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-75.6	-20.9	173.3	-114.8	72.4	0	0	0	113	Q2343 M2344	L2341-Q2343 PolarHBondContact O-N 3.04Å; L2341-Q2343 VanDerWaalsContact O-N 3.07Å; L2341-M2344 PolarHBondContact O-N 3.48Å
2342	A	34.5	Very low	32.5	Very low	76 Å²	76	116.8 Å²	116.8	63%	0.628	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-69.2	-2.7	-178	0	0	0	0	0	114.5	H2340	H2340-A2342 VanDerWaalsContact C-N 3.32Å
2343	Q	35.2	Very low	32.8	Very low	153 Å²	153	119 Å²	119	72%	0.715	69%	0.69	S	S	*	*	G	3₁₀ helix	trans	-108.1	-5.3	-177.3	-65.2	-174.3	-11.2	0	0	114.4	L2341	L2341-Q2343 PolarHBondContact O-N 3.04Å; L2341-Q2343 VanDerWaalsContact O-N 3.07Å
2344	M	34.3	Very low	33.3	Very low	174 Å²	174	122.4 Å²	122.4	86%	0.857	69%	0.691	S	S	*	*	S	Bend	trans	-104.7	2.1	179.5	-67	-95	64.9	0	0	113.9	L2341	L2341-M2344 PolarHBondContact O-N 3.48Å
2345	S	31.7	Very low	33.8	Very low	58 Å²	58	116.4 Å²	116.4	41%	0.406	67%	0.665	S	S	.	*	S	Bend	trans	-119.3	118.1	176.4	50.1	0	0	0	0	111.4	L2347	S2345-L2347 PolarHBondContact O-N 3.3Å
2346	G	30.7	Very low	34.7	Very low	74 Å²	74	112 Å²	112	76%	0.763	65%	0.647	S	S	*	*			trans	-78.3	61.6	-159.9	0	0	0	0	0	117.2	R128	R128-G2346 VanDerWaalsContact NH1-C 3.35Å; R128-G2346 PolarHBondContact NH1-O 2.99Å
2347	L	29.7	Very low	35.4	Very low	112 Å²	112	110.7 Å²	110.7	59%	0.586	64%	0.636	S	S	*	*			trans	-85.5	157.9	177.1	-80.3	174	0	0	0	115	R128 S2345	R128-L2347 VanDerWaalsContact CZ-C 3.45Å; R128-L2347 PolarHBondContact NH1-O 3.01Å; R128-L2347 PolarHBondContact NH2-O 3.45Å; S2345-L2347 PolarHBondContact O-N 3.3Å
2348	P	33.3	Very low	36.2	Very low	26 Å²	26	104.3 Å²	104.3	17%	0.169	61%	0.609	C	S	.	*			trans	-54.8	143.8	170.9	-29.4	37.6	0	0	0	115.3	R127 R128 G2350	R127-P2348 HydrophobicContact CB-CG 4.25Å; R128-P2348 HydrophobicContact CG-CB 3.79Å; R128-P2348 HydrophobicContact CG-CG 3.71Å; P2348-G2350 PolarHBondContact O-N 3.17Å; P2348-G2350 VanDerWaalsContact O-N 3.13Å
2349	P	28.9	Very low	37.4	Very low	119 Å²	119	100.8 Å²	100.8	77%	0.773	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	100.5	162	32.5	-31.1	0	0	0	108.3
2350	G	33.6	Very low	38.2	Very low	68 Å²	68	102.2 Å²	102.2	70%	0.701	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	167.8	-22.7	179.5	0	0	0	0	0	116.2	P2348	P2348-G2350 PolarHBondContact O-N 3.17Å; P2348-G2350 VanDerWaalsContact O-N 3.13Å
2351	F	30.2	Very low	38.7	Very low	150 Å²	150	97.4 Å²	97.4	66%	0.658	57%	0.574	S	S	*	*			trans	-114.7	119.9	178.3	-73.2	-86.8	0	0	0	110.9
2352	S	33.9	Very low	39.3	Very low	63 Å²	63	96.5 Å²	96.5	44%	0.441	56%	0.564	S	S	.	*			trans	-113.5	149.2	173.7	79.8	0	0	0	0	110.6	Q2354 D2355	S2352-Q2354 PolarHBondContact O-N 2.8Å; S2352-Q2354 VanDerWaalsContact O-N 3.17Å; S2352-Q2354 PolarHBondContact OG-N 3.5Å; S2352-D2355 PolarHBondContact O-N 3.11Å
2353	F	36.1	Very low	40.1	Very low	160 Å²	160	95.5 Å²	95.5	70%	0.702	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	2	169.4	-84.9	-90.4	0	0	0	113.3	V2358	F2353-V2358 HydrophobicContact CD1-CG1 4.42Å
2354	Q	44.3	Very low	40.8	Very low	157 Å²	157	94 Å²	94	73%	0.734	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	-8.7	173.4	-106.2	63.9	34.6	0	0	113.6	S2352 P2356	S2352-Q2354 PolarHBondContact O-N 2.8Å; S2352-Q2354 VanDerWaalsContact O-N 3.17Å; S2352-Q2354 PolarHBondContact OG-N 3.5Å; Q2354-P2356 WeakPolarHBondContact O-CD 3.09Å
2355	D	41.6	Very low	41.2	Very low	65 Å²	65	88.4 Å²	88.4	35%	0.348	53%	0.533	S	S	.	.			trans	-67	120.6	177.4	-173.1	-19.7	0	0	0	110.1	S2352 A2357 V2358 L2359	S2352-D2355 PolarHBondContact O-N 3.11Å; D2355-A2357 PolarHBondContact O-N 3.08Å; D2355-A2357 VanDerWaalsContact O-N 3.16Å; D2355-A2357 VanDerWaalsContact OD1-CB 3.27Å; D2355-A2357 WeakPolarHBondContact OD1-CB 3.37Å; D2355-A2357 PolarHBondContact OD1-N 3.37Å; D2355-V2358 HydrophobicContact CB-CB 4.24Å; D2355-V2358 HydrophobicContact CB-CG2 3.98Å; D2355-V2358 PolarHBondContact O-N 3.35Å; D2355-L2359 PolarHBondContact O-N 3.36Å
2356	P	48.3	Very low	41.7	Very low	86 Å²	86	88.1 Å²	88.1	56%	0.558	53%	0.534	S	S	*	.	H	α-helix	trans	-60.9	-21.1	176.5	26.3	-35.1	0	0	0	113	Q2354 N2360	Q2354-P2356 WeakPolarHBondContact O-CD 3.09Å; P2356-N2360 WeakPolarHBondContact O-CB 3.22Å; P2356-N2360 PolarHBondContact O-N 2.87Å; P2356-N2360 PolarHBondContact O-ND2 3.32Å
2357	A	45	Very low	42	Very low	61 Å²	61	86.2 Å²	86.2	50%	0.504	51%	0.511	S	S	.	.	H	α-helix	trans	-68.5	-40.2	170.3	0	0	0	0	0	112	D2355 A2361	D2355-A2357 PolarHBondContact O-N 3.08Å; D2355-A2357 VanDerWaalsContact O-N 3.16Å; D2355-A2357 VanDerWaalsContact OD1-CB 3.27Å; D2355-A2357 WeakPolarHBondContact OD1-CB 3.37Å; D2355-A2357 PolarHBondContact OD1-N 3.37Å; A2357-A2361 VanDerWaalsContact O-CB 3.26Å; A2357-A2361 WeakPolarHBondContact O-CB 3.47Å; A2357-A2361 PolarHBondContact O-N 2.85Å
2358	V	49.6	Very low	42.3	Very low	46 Å²	46	83.5 Å²	83.5	28%	0.279	51%	0.505	S	S	.	.	H	α-helix	trans	-72.1	-42.6	176.5	177.3	0	0	0	0	110.7	F2353 D2355 A2361 F2362	F2353-V2358 HydrophobicContact CD1-CG1 4.42Å; D2355-V2358 HydrophobicContact CB-CB 4.24Å; D2355-V2358 HydrophobicContact CB-CG2 3.98Å; D2355-V2358 PolarHBondContact O-N 3.35Å; V2358-A2361 PolarHBondContact O-N 3.25Å; V2358-F2362 WeakPolarHBondContact O-CB 3.32Å; V2358-F2362 PolarHBondContact O-N 3.41Å
2359	L	57.9	Low	42.4	Very low	97 Å²	97	86.4 Å²	86.4	51%	0.508	52%	0.522	S	S	.	.	H	α-helix	trans	-63.6	-40.9	173.6	-97.6	160.9	0	0	0	112.1	D2355 F2362 A2363	D2355-L2359 PolarHBondContact O-N 3.36Å; L2359-F2362 PolarHBondContact O-N 2.99Å; L2359-A2363 VanDerWaalsContact O-CB 3.23Å; L2359-A2363 WeakPolarHBondContact O-CB 3.08Å; L2359-A2363 PolarHBondContact O-N 2.85Å
2360	N	49.5	Very low	42.7	Very low	103 Å²	103	84.5 Å²	84.5	55%	0.551	51%	0.512	S	S	*	.	H	α-helix	trans	-69.3	-33.3	173.4	-75.2	-30.6	0	0	0	112.5	P2356 A2363 L2364	P2356-N2360 WeakPolarHBondContact O-CB 3.22Å; P2356-N2360 PolarHBondContact O-N 2.87Å; P2356-N2360 PolarHBondContact O-ND2 3.32Å; N2360-A2363 PolarHBondContact O-N 3.42Å; N2360-L2364 VanDerWaalsContact O-CB 3.24Å; N2360-L2364 WeakPolarHBondContact O-CB 3.36Å; N2360-L2364 PolarHBondContact O-N 3.35Å
2361	A	49.7	Very low	42.5	Very low	45 Å²	45	87.3 Å²	87.3	37%	0.372	51%	0.51	S	S	.	.	H	α-helix	trans	-67.3	-40.9	173.3	0	0	0	0	0	111.5	A2357 V2358 L2364 A2365	A2357-A2361 VanDerWaalsContact O-CB 3.26Å; A2357-A2361 WeakPolarHBondContact O-CB 3.47Å; A2357-A2361 PolarHBondContact O-N 2.85Å; V2358-A2361 PolarHBondContact O-N 3.25Å; A2361-L2364 PolarHBondContact O-N 3.29Å; A2361-A2365 WeakPolarHBondContact O-CB 3.15Å; A2361-A2365 PolarHBondContact O-N 3.33Å
2362	F	47.7	Very low	42.6	Very low	134 Å²	134	86.8 Å²	86.8	59%	0.588	52%	0.519	S	S	*	.	H	α-helix	trans	-68.9	-38.4	175	-146.2	-88.4	0	0	0	111.6	V2358 L2359 A2365 A2366	V2358-F2362 WeakPolarHBondContact O-CB 3.32Å; V2358-F2362 PolarHBondContact O-N 3.41Å; L2359-F2362 PolarHBondContact O-N 2.99Å; F2362-A2365 PolarHBondContact O-N 3.43Å; F2362-A2366 WeakPolarHBondContact O-CB 3.49Å; F2362-A2366 PolarHBondContact O-N 3.23Å
2363	A	51.6	Low	42.3	Very low	54 Å²	54	87.3 Å²	87.3	45%	0.446	53%	0.527	S	S	.	.	H	α-helix	trans	-68.5	-34.5	173	0	0	0	0	0	112.7	L2359 N2360 A2367	L2359-A2363 VanDerWaalsContact O-CB 3.23Å; L2359-A2363 WeakPolarHBondContact O-CB 3.08Å; L2359-A2363 PolarHBondContact O-N 2.85Å; N2360-A2363 PolarHBondContact O-N 3.42Å; A2363-A2367 WeakPolarHBondContact O-CB 3.36Å; A2363-A2367 PolarHBondContact O-N 2.98Å
2364	L	50.2	Low	41.8	Very low	123 Å²	123	84.6 Å²	84.6	64%	0.644	53%	0.528	S	S	*	.	H	α-helix	trans	-70.2	-36.5	171.5	-91.4	161.6	0	0	0	111.9	N2360 A2361 A2367 A2368	N2360-L2364 VanDerWaalsContact O-CB 3.24Å; N2360-L2364 WeakPolarHBondContact O-CB 3.36Å; N2360-L2364 PolarHBondContact O-N 3.35Å; A2361-L2364 PolarHBondContact O-N 3.29Å; L2364-A2367 PolarHBondContact O-N 3.43Å; L2364-A2368 WeakPolarHBondContact O-CB 3.47Å; L2364-A2368 PolarHBondContact O-N 2.71Å
2365	A	42.7	Very low	41	Very low	55 Å²	55	81.2 Å²	81.2	46%	0.455	54%	0.535	S	S	.	.	H	α-helix	trans	-66.4	-41.8	172.7	0	0	0	0	0	111.8	A2361 F2362 A2368 T2369	A2361-A2365 WeakPolarHBondContact O-CB 3.15Å; A2361-A2365 PolarHBondContact O-N 3.33Å; F2362-A2365 PolarHBondContact O-N 3.43Å; A2365-A2368 PolarHBondContact O-N 3.37Å; A2365-T2369 PolarHBondContact O-N 2.86Å; A2365-T2369 PolarHBondContact O-OG1 2.99Å
2366	A	41.1	Very low	40.3	Very low	52 Å²	52	82 Å²	82	43%	0.43	56%	0.559	S	S	.	*	H	α-helix	trans	-67.8	-37.1	173.5	0	0	0	0	0	112.6	F2362 T2369 S2370	F2362-A2366 WeakPolarHBondContact O-CB 3.49Å; F2362-A2366 PolarHBondContact O-N 3.23Å; A2366-T2369 WeakPolarHBondContact CA-OG1 3.35Å; A2366-T2369 PolarHBondContact O-OG1 2.77Å; A2366-S2370 VanDerWaalsContact O-CB 3.32Å; A2366-S2370 WeakPolarHBondContact O-CB 3.5Å; A2366-S2370 PolarHBondContact O-N 2.69Å
2367	A	37.1	Very low	39.2	Very low	35 Å²	35	81.5 Å²	81.5	29%	0.289	57%	0.569	S	S	.	*	H	α-helix	trans	-69.3	-40.9	173.9	0	0	0	0	0	111.5	A2363 L2364 S2370 L2371	A2363-A2367 WeakPolarHBondContact O-CB 3.36Å; A2363-A2367 PolarHBondContact O-N 2.98Å; L2364-A2367 PolarHBondContact O-N 3.43Å; A2367-S2370 CarbonylContact O-C 3.59Å; A2367-S2370 WeakPolarHBondContact O-CA 3.34Å; A2367-S2370 PolarHBondContact O-N 3.46Å; A2367-S2370 VanDerWaalsContact O-N 3.1Å; A2367-L2371 HydrophobicContact CB-CD1 4.34Å; A2367-L2371 VanDerWaalsContact O-CB 3.22Å; A2367-L2371 WeakPolarHBondContact O-CB 3.45Å; A2367-L2371 VanDerWaalsContact O-CG 3.28Å; A2367-L2371 WeakPolarHBondContact O-CG 3.44Å; A2367-L2371 PolarHBondContact O-N 3.43Å
2368	A	35.7	Very low	38.3	Very low	55 Å²	55	83 Å²	83	46%	0.455	58%	0.582	S	S	.	*	H	α-helix	trans	-63.9	-42.4	176.9	0	0	0	0	0	111.9	L2364 A2365 S2370 L2371 V2372	L2364-A2368 WeakPolarHBondContact O-CB 3.47Å; L2364-A2368 PolarHBondContact O-N 2.71Å; A2365-A2368 PolarHBondContact O-N 3.37Å; A2368-S2370 PolarHBondContact O-N 2.78Å; A2368-L2371 PolarHBondContact O-N 3.26Å; A2368-V2372 PolarHBondContact O-N 3.23Å
2369	T	36.6	Very low	37.3	Very low	86 Å²	86	88.4 Å²	88.4	53%	0.528	61%	0.609	S	S	.	*	H	α-helix	trans	-69	-21.2	172.8	50.4	0	0	0	0	113.1	A2365 A2366	A2365-T2369 PolarHBondContact O-N 2.86Å; A2365-T2369 PolarHBondContact O-OG1 2.99Å; A2366-T2369 WeakPolarHBondContact CA-OG1 3.35Å; A2366-T2369 PolarHBondContact O-OG1 2.77Å
2370	S	33.9	Very low	36	Very low	80 Å²	80	91.4 Å²	91.4	56%	0.559	62%	0.62	S	S	*	*	H	α-helix	trans	-89.7	-14.4	171.8	-169.9	0	0	0	0	115.1	A2366 A2367 A2368	A2366-S2370 VanDerWaalsContact O-CB 3.32Å; A2366-S2370 WeakPolarHBondContact O-CB 3.5Å; A2366-S2370 PolarHBondContact O-N 2.69Å; A2367-S2370 CarbonylContact O-C 3.59Å; A2367-S2370 WeakPolarHBondContact O-CA 3.34Å; A2367-S2370 PolarHBondContact O-N 3.46Å; A2367-S2370 VanDerWaalsContact O-N 3.1Å; A2368-S2370 PolarHBondContact O-N 2.78Å
2371	L	30.8	Very low	35.2	Very low	126 Å²	126	89.5 Å²	89.5	66%	0.66	61%	0.614	S	S	*	*	H	α-helix	trans	-108.4	-10.8	-173.4	-76.6	166.9	0	0	0	114.6	A2367 A2368	A2367-L2371 HydrophobicContact CB-CD1 4.34Å; A2367-L2371 VanDerWaalsContact O-CB 3.22Å; A2367-L2371 WeakPolarHBondContact O-CB 3.45Å; A2367-L2371 VanDerWaalsContact O-CG 3.28Å; A2367-L2371 WeakPolarHBondContact O-CG 3.44Å; A2367-L2371 PolarHBondContact O-N 3.43Å; A2368-L2371 PolarHBondContact O-N 3.26Å
2372	V	31	Very low	34	Very low	140 Å²	140	92.6 Å²	92.6	85%	0.848	62%	0.624	S	S	*	*	S	Bend	trans	-80.5	-6	162.5	-178.3	0	0	0	0	111.3	A2368	A2368-V2372 PolarHBondContact O-N 3.23Å
2373	A	28.9	Very low	32.9	Very low	74 Å²	74	92.4 Å²	92.4	61%	0.612	63%	0.628	S	S	*	*	S	Bend	trans	-116.7	21.6	-175.6	0	0	0	0	0	115.2
2374	S	25.7	Very low	31.8	Very low	102 Å²	102	95.9 Å²	95.9	71%	0.713	64%	0.639	S	S	*	*			trans	-162.9	116.8	165.7	-86.1	0	0	0	0	112.7
2375	G	25.6	Very low	31	Very low	86 Å²	86	93.4 Å²	93.4	89%	0.887	63%	0.63	S	S	*	*			trans	-162	52.2	-173.1	0	0	0	0	0	115.9
2376	G	27.5	Very low	30.2	Very low	83 Å²	83	95.2 Å²	95.2	86%	0.856	63%	0.632	S	S	*	*			trans	85.6	144.7	171.3	0	0	0	0	0	115.8
2377	G	25.9	Very low	29.4	Very low	74 Å²	74	97.4 Å²	97.4	76%	0.763	64%	0.64	S	S	*	*			cis	133.1	124.9	-11.7	0	0	0	0	0	114.5
2378	A	26.5	Very low	28.8	Very low	94 Å²	94	100.6 Å²	100.6	78%	0.777	65%	0.653	S	S	*	*			trans	69.9	136.7	178.7	0	0	0	0	0	115.5
2379	N	27.5	Very low	28.3	Very low	159 Å²	159	104.5 Å²	104.5	85%	0.85	66%	0.663	S	S	*	*			cis	-144.6	173.6	9.4	-94.5	-32.1	0	0	0	113.3
2380	Q	31.5	Very low	27.7	Very low	159 Å²	159	105 Å²	105	74%	0.743	67%	0.67	S	S	*	*			trans	-100.6	-157.2	-178.2	-55.2	-170	-52.6	0	0	112.5
2381	P	32.1	Very low	27.3	Very low	64 Å²	64	105 Å²	105	42%	0.416	68%	0.675	S	S	.	*			cis	-142.5	171.6	-9.1	44.6	-26.3	0	0	0	119	V1716	V1716-P2381 WeakPolarHBondContact CG1-O 2.92Å
2382	D	24.2	Very low	27.1	Very low	110 Å²	110	106 Å²	106	59%	0.588	68%	0.681	S	S	*	*			trans	68.9	140	152.9	-60.1	-24	0	0	0	122.9	V1716	V1716-D2382 WeakPolarHBondContact CG1-O 3.2Å
2383	L	25.1	Very low	27.1	Very low	129 Å²	129	104.4 Å²	104.4	68%	0.675	67%	0.673	S	S	*	*			cis	-166.3	173	4.5	-111.6	166.7	0	0	0	112.9
2384	L	28.6	Very low	26.9	Very low	128 Å²	128	106.8 Å²	106.8	67%	0.67	68%	0.68	S	S	*	*			trans	-58.6	178.8	176.9	-67.8	163.5	0	0	0	117.3
2385	P	33	Very low	26.8	Very low	70 Å²	70	107.2 Å²	107.2	46%	0.455	67%	0.674	S	S	.	*			cis	-140.2	-158	-13.4	31.6	-5.6	0	0	0	115.3
2386	D	25.1	Very low	26.8	Very low	93 Å²	93	112.5 Å²	112.5	50%	0.497	67%	0.667	S	S	.	*			trans	73.3	150.7	152.9	-63	-15.1	0	0	0	120.1
2387	T	25.1	Very low	26.7	Very low	99 Å²	99	118 Å²	118	61%	0.607	66%	0.664	S	S	*	*			cis	-155.9	148.9	-11.7	16.1	0	0	0	0	112.9	L1722	L1722-T2387 HydrophobicContact CD1-CG2 3.47Å; L1722-T2387 VanDerWaalsContact CD1-CG2 3.47Å; L1722-T2387 HydrophobicContact CG-CG2 4.44Å
2388	N	24.2	Very low	26.7	Very low	102 Å²	102	125.7 Å²	125.7	55%	0.545	67%	0.67	S	S	.	*			trans	57.7	119.2	144.8	-78.2	-13.9	0	0	0	125.4
2389	M	25.6	Very low	26.9	Very low	136 Å²	136	126.7 Å²	126.7	67%	0.67	67%	0.671	S	S	*	*				68.1	116.9	115	-64	-67.6	177.1	0	0	123.9
2390	S	24.4	Very low	27.2	Very low	96 Å²	96	123.7 Å²	123.7	67%	0.671	66%	0.66	S	S	*	*				68.2	91.8	113.7	-171	0	0	0	0	122.4
2391	A	25.5	Very low	27.2	Very low	80 Å²	80	121.3 Å²	121.3	66%	0.661	66%	0.656	S	S	*	*				64.2	161.4	111.1	0	0	0	0	0	123.4
2392	N	26.3	Very low	27.3	Very low	148 Å²	148	121 Å²	121	79%	0.791	65%	0.654	S	S	*	*			trans	74.5	172.3	162.6	-56.4	-29.2	0	0	0	114.8
2393	P	31.2	Very low	27.5	Very low	107 Å²	107	119.2 Å²	119.2	70%	0.695	65%	0.65	S	S	*	*				-141.5	-168.5	-99.7	38.8	-15.7	0	0	0	114.3
2394	V	24.2	Very low	27.6	Very low	124 Å²	124	123.1 Å²	123.1	75%	0.752	66%	0.658	S	S	*	*			trans	68.5	137.4	151.4	163.5	0	0	0	0	118.9
2395	D	24.4	Very low	27.4	Very low	111 Å²	111	123 Å²	123	59%	0.594	66%	0.663	S	S	*	*			trans	69.3	120.4	159.2	-88	-30.9	0	0	0	122.3
2396	R	25.2	Very low	27.4	Very low	196 Å²	196	125.1 Å²	125.1	74%	0.74	68%	0.679	S	S	*	*				81.4	123.3	127.6	-69.4	170	-155.6	-153.4	11.5	123.2
2397	Y	25.7	Very low	27.9	Very low	200 Å²	200	125.7 Å²	125.7	78%	0.784	69%	0.688	S	S	*	*			trans	79	117.7	138.2	-84.3	-120.9	0	0	0	121.4
2398	R	24.7	Very low	28.1	Very low	235 Å²	235	129.4 Å²	129.4	89%	0.887	70%	0.698	S	S	*	*			trans	62.8	127.8	143.7	-71.9	-173.1	167.6	-160.8	-3.6	122.5
2399	S	30.3	Very low	28.7	Very low	114 Å²	114	128.5 Å²	128.5	80%	0.797	70%	0.698	S	S	*	*			trans	-41	174.1	151.6	-108	0	0	0	0	117.7
2400	P	34.7	Very low	29	Very low	97 Å²	97	129.6 Å²	129.6	63%	0.63	70%	0.701	S	S	*	*			cis	-143.6	-177.3	-5.3	41.7	-22	0	0	0	116.9
2401	V	31.7	Very low	29.4	Very low	109 Å²	109	130.8 Å²	130.8	66%	0.661	70%	0.696	S	S	*	*			trans	47.4	145.7	133.4	161.2	0	0	0	0	121.9
2402	P	34.8	Very low	29.8	Very low	57 Å²	57	132.9 Å²	132.9	37%	0.37	69%	0.692	S	S	.	*			cis	-147.5	-166	-26.7	45.2	-23.8	0	0	0	116.8	G852	G852-P2402 CarbonylContact C-O 3.45Å; G852-P2402 WeakPolarHBondContact CA-O 3.04Å
2403	S	27.7	Very low	30.2	Very low	72 Å²	72	134.5 Å²	134.5	50%	0.503	69%	0.687	S	S	.	*			trans	60.2	142	141.4	-60.1	0	0	0	0	128.4	G852	G852-S2403 VanDerWaalsContact CA-O 3.24Å; G852-S2403 WeakPolarHBondContact CA-O 3.27Å
2404	Y	26.5	Very low	30.2	Very low	212 Å²	212	138 Å²	138	83%	0.831	69%	0.687	S	S	*	*			trans	102.9	129.6	141.3	-78.4	-58.7	0	0	0	125.2
2405	T	25.2	Very low	30.6	Very low	126 Å²	126	136.8 Å²	136.8	77%	0.773	68%	0.682	S	S	*	*			trans	70.4	103.3	148.6	47.4	0	0	0	0	124.4
2406	S	33	Very low	30.7	Very low	114 Å²	114	135.8 Å²	135.8	80%	0.797	68%	0.684	S	S	*	*				0.7	168.8	115.6	-126	0	0	0	0	120.2
2407	P	36.1	Very low	30.6	Very low	105 Å²	105	132.6 Å²	132.6	68%	0.682	68%	0.682	S	S	*	*			cis	-151	174	16.3	44.8	-24.6	0	0	0	120.6
2408	Q	29.5	Very low	30.5	Very low	177 Å²	177	129.1 Å²	129.1	83%	0.827	68%	0.677	S	S	*	*			trans	60.2	174.7	140.7	-86.9	-163.4	5.7	0	0	122
2409	P	35.4	Very low	30.6	Very low	82 Å²	82	122.7 Å²	122.7	53%	0.532	67%	0.668	S	S	.	*			cis	-137.8	-172.2	-40.3	39.3	-22.5	0	0	0	114.4
2410	H	33.3	Very low	30.5	Very low	159 Å²	159	124.6 Å²	124.6	74%	0.736	66%	0.664	S	S	*	*			trans	73	152.6	150.6	-74.9	7.3	0	0	0	119
2411	Q	32.2	Very low	30.1	Very low	122 Å²	122	124.6 Å²	124.6	57%	0.57	67%	0.666	S	S	*	*			cis	-168	167.3	-21.3	-116.6	-173.4	49.4	0	0	109.2
2412	Q	34	Very low	30.1	Very low	123 Å²	123	126.8 Å²	126.8	58%	0.575	67%	0.669	S	S	*	*			trans	50	120.2	152.1	-71.6	-172.6	56.2	0	0	118.7
2413	R	35.2	Very low	30	Very low	183 Å²	183	130.6 Å²	130.6	69%	0.691	68%	0.682	S	S	*	*			cis	-165.2	143.7	47.6	-101.6	145.7	-160.5	-141.2	4.5	108.3
2414	Y	30.8	Very low	30.2	Very low	179 Å²	179	133.3 Å²	133.3	70%	0.702	69%	0.687	S	S	*	*				49.7	141.4	88.8	-72.8	-84	0	0	0	114.9
2415	P	32.5	Very low	30.6	Very low	100 Å²	100	129.9 Å²	129.9	65%	0.649	68%	0.678	S	S	*	*			cis	-146.7	-161.3	-39	37.9	-17.5	0	0	0	113
2416	S	25.9	Very low	31	Very low	90 Å²	90	130 Å²	130	63%	0.629	67%	0.671	S	S	*	*			trans	81.4	130.6	144.5	-70.9	0	0	0	0	119.3
2417	N	24.3	Very low	30.9	Very low	129 Å²	129	132.6 Å²	132.6	69%	0.69	67%	0.667	S	S	*	*			cis	87.1	129.4	36.4	-65.9	-34.9	0	0	0	113.6
2418	N	23.9	Very low	30.5	Very low	126 Å²	126	131.3 Å²	131.3	67%	0.674	67%	0.665	S	S	*	*			trans	64.3	170	150	-55.5	-13.4	0	0	0	114.9
2419	S	24.8	Very low	30.3	Very low	101 Å²	101	127.5 Å²	127.5	71%	0.706	67%	0.665	S	S	*	*			cis	-129.3	127.6	3.3	-51.9	0	0	0	0	107.5
2420	Q	28.6	Very low	29.8	Very low	154 Å²	154	128 Å²	128	72%	0.72	68%	0.676	S	S	*	*				57.3	153	76.8	-67.7	-173.2	-36.9	0	0	114.5
2421	S	27	Very low	29.3	Very low	96 Å²	96	125.3 Å²	125.3	67%	0.671	68%	0.681	S	S	*	*			trans	78.8	132.7	156.7	108.3	0	0	0	0	112.4
2422	Q	31.2	Very low	29	Very low	156 Å²	156	124.2 Å²	124.2	73%	0.729	69%	0.693	S	S	*	*			cis	-149.3	166.6	15.5	-94.9	155.4	80.7	0	0	108.5
2423	Q	33.6	Very low	28.5	Very low	136 Å²	136	122.6 Å²	122.6	64%	0.636	70%	0.7	S	S	*	*			cis	-161.8	-172.9	14.3	-137.1	166	48.7	0	0	111.7
2424	Q	32.1	Very low	28	Very low	130 Å²	130	119.3 Å²	119.3	61%	0.607	71%	0.712	S	S	*	*			trans	82.7	-169.9	165.9	-94.6	52.1	-82.2	0	0	118.1
2425	Q	34.2	Very low	27.6	Very low	139 Å²	139	115 Å²	115	65%	0.65	71%	0.714	S	S	*	*				-162.5	174.4	-119.1	-84.6	177.2	74.2	0	0	110.5
2426	Q	33.8	Very low	27.3	Very low	130 Å²	130	114.8 Å²	114.8	61%	0.607	72%	0.72	S	S	*	*			cis	-159.3	168.2	17.7	-146.3	173.8	69.9	0	0	113.4
2427	K	30.9	Very low	27.4	Very low	167 Å²	167	114.6 Å²	114.6	73%	0.726	72%	0.724	S	S	*	*			trans	85.4	122.4	145.7	-96.7	164.1	-177.4	138.3	0	122
2428	A	28.3	Very low	27.5	Very low	78 Å²	78	112.8 Å²	112.8	65%	0.645	73%	0.727	S	S	*	*			trans	67.6	137.1	166	0	0	0	0	0	117.3	P69	P69-A2428 HydrophobicContact CG-CB 4.16Å
2429	A	24.9	Very low	27.8	Very low	98 Å²	98	114.4 Å²	114.4	81%	0.81	73%	0.732	S	S	*	*			cis	-168.9	156.5	-20.1	0	0	0	0	0	107.2
2430	A	23.7	Very low	28.2	Very low	93 Å²	93	112.9 Å²	112.9	77%	0.769	73%	0.726	S	S	*	*			cis	167.5	157	-19.3	0	0	0	0	0	105.6
2431	A	23.2	Very low	28.2	Very low	102 Å²	102	114 Å²	114	84%	0.843	74%	0.737	S	S	*	*			trans	66.2	91.5	166	0	0	0	0	0	119.9
2432	A	26.8	Very low	28.2	Very low	99 Å²	99	111.9 Å²	111.9	82%	0.818	73%	0.725	S	S	*	*			trans	161	91.1	146.4	0	0	0	0	0	107.8
2433	A	23.4	Very low	28.1	Very low	89 Å²	89	113.1 Å²	113.1	74%	0.736	73%	0.729	S	S	*	*			cis	70.8	108.1	22.8	0	0	0	0	0	115.4	A2435	A2433-A2435 PolarHBondContact O-N 3.32Å; A2433-A2435 VanDerWaalsContact O-N 3.17Å
2434	A	23.7	Very low	27.9	Very low	114 Å²	114	109.8 Å²	109.8	94%	0.942	73%	0.731	S	S	*	*			trans	34.1	59.4	149	0	0	0	0	0	119.7
2435	A	23.5	Very low	27.8	Very low	88 Å²	88	108.5 Å²	108.5	73%	0.727	73%	0.728	S	S	*	*			trans	-155.5	104.3	148.5	0	0	0	0	0	106.8	A2433	A2433-A2435 PolarHBondContact O-N 3.32Å; A2433-A2435 VanDerWaalsContact O-N 3.17Å
2436	A	25.5	Very low	27.7	Very low	96 Å²	96	108 Å²	108	79%	0.793	73%	0.725	S	S	*	*				74.6	132.8	64	0	0	0	0	0	113.9
2437	A	28.6	Very low	27.6	Very low	85 Å²	85	105.7 Å²	105.7	70%	0.702	72%	0.717	S	S	*	*			trans	60.4	49.4	149.4	0	0	0	0	0	119.4	M2439	A2437-M2439 HydrophobicContact CB-CE 4.18Å; A2437-M2439 VanDerWaalsContact O-CE 3.29Å; A2437-M2439 WeakPolarHBondContact O-CE 3.38Å
2438	A	25.6	Very low	27.5	Very low	91 Å²	91	99.8 Å²	99.8	75%	0.752	69%	0.693	S	S	*	*			trans	-146.7	106.3	136.6	0	0	0	0	0	106.8
2439	M	31.3	Very low	27.6	Very low	160 Å²	160	100 Å²	100	79%	0.788	69%	0.688	S	S	*	*				56.3	124.6	53	-51.4	-179	-80.4	0	0	112.3	A2437	A2437-M2439 HydrophobicContact CB-CE 4.18Å; A2437-M2439 VanDerWaalsContact O-CE 3.29Å; A2437-M2439 WeakPolarHBondContact O-CE 3.38Å
2440	A	32.4	Very low	27.8	Very low	69 Å²	69	99.5 Å²	99.5	57%	0.57	68%	0.684	S	S	*	*			cis	-158.6	-177.8	-18.7	0	0	0	0	0	105.8	A2442	A2440-A2442 HydrophobicContact CB-CB 3.72Å; A2440-A2442 VanDerWaalsContact CB-N 3.32Å
2441	N	29.1	Very low	28.1	Very low	177 Å²	177	101.6 Å²	101.6	95%	0.947	68%	0.678	S	S	*	*	S	Bend	cis	42.6	30.6	39.3	-146.5	18.6	0	0	0	114
2442	A	26.9	Very low	28.4	Very low	53 Å²	53	103.9 Å²	103.9	44%	0.438	67%	0.669	S	S	.	*			trans	-116.6	119.8	-175.6	0	0	0	0	0	108.8	A2440 G2444	A2440-A2442 HydrophobicContact CB-CB 3.72Å; A2440-A2442 VanDerWaalsContact CB-N 3.32Å; A2442-G2444 PolarHBondContact O-N 2.83Å
2443	F	28.3	Very low	28.5	Very low	182 Å²	182	104.3 Å²	104.3	80%	0.798	66%	0.658	S	S	*	*			trans	37.5	80.5	145.7	-41.2	-64.6	0	0	0	113.7	L2445	F2443-L2445 HydrophobicContact CD1-CD1 3.85Å
2444	G	30.2	Very low	28.7	Very low	66 Å²	66	104.7 Å²	104.7	68%	0.68	65%	0.651	S	S	*	*				89.8	-149.1	62.9	0	0	0	0	0	107.2	A2442	A2442-G2444 PolarHBondContact O-N 2.83Å
2445	L	29	Very low	28.9	Very low	103 Å²	103	109.2 Å²	109.2	54%	0.539	64%	0.643	S	S	.	*			cis	-179.6	126	-3.5	-129.2	-175.7	0	0	0	104.9	E1957 F2443	E1957-L2445 WeakPolarHBondContact OE1-CA 3.17Å; E1957-L2445 PolarHBondContact OE1-N 3.21Å; F2443-L2445 HydrophobicContact CD1-CD1 3.85Å
2446	Q	32.3	Very low	29.1	Very low	127 Å²	127	112 Å²	112	59%	0.593	65%	0.645	S	S	*	*			trans	78.8	136.1	171.4	-49.9	152.9	92.8	0	0	113.5	E1957	E1957-Q2446 VanDerWaalsContact CG-O 3.27Å; E1957-Q2446 WeakPolarHBondContact CG-O 3.34Å; E1957-Q2446 PolarHBondContact OE1-N 3.39Å
2447	N	31.9	Very low	29.2	Very low	83 Å²	83	111.9 Å²	111.9	44%	0.444	64%	0.639	S	S	.	*			cis	-168.5	154.7	13.8	-129.7	-6.4	0	0	0	116.9	R1961	R1961-N2447 PolarHBondContact NH1-OD1 3.4Å
2448	L	28.7	Very low	29.1	Very low	43 Å²	43	113.3 Å²	113.3	23%	0.225	64%	0.644	C	S	.	*			trans	-57.9	162.5	143.2	-96.2	175.9	0	0	0	109.4	R1961 L1962 A2450	R1961-L2448 HydrophobicContact CB-CD1 3.91Å; R1961-L2448 HydrophobicContact CB-CD2 3.84Å; R1961-L2448 HydrophobicContact CB-CG 3.54Å; R1961-L2448 HydrophobicContact CG-CG 4.14Å; L1962-L2448 HydrophobicContact CD1-CD1 3.85Å; L1962-L2448 HydrophobicContact CD1-CD2 4.29Å; L1962-L2448 HydrophobicContact CG-CD1 4.2Å; L2448-A2450 HydrophobicContact CD2-CB 4.42Å
2449	P	30.5	Very low	29.2	Very low	83 Å²	83	113.7 Å²	113.7	54%	0.539	64%	0.641	S	S	.	*			cis	-139.4	147.5	15.9	19.9	5.5	0	0	0	117.2
2450	A	28.8	Very low	29.2	Very low	87 Å²	87	111.5 Å²	111.5	72%	0.719	64%	0.641	S	S	*	*				36.5	-150.7	117.1	0	0	0	0	0	120	L2448	L2448-A2450 HydrophobicContact CD2-CB 4.42Å
2451	Q	30.7	Very low	29.2	Very low	137 Å²	137	113.3 Å²	113.3	64%	0.64	65%	0.65	S	S	*	*			trans	78.9	131.5	177.2	-48.9	-159.5	9	0	0	115.4
2452	F	29.6	Very low	29.1	Very low	149 Å²	149	110 Å²	110	65%	0.654	63%	0.629	S	S	*	*			cis	-158.9	140	5.7	-125.2	-169.1	0	0	0	113.4
2453	N	27.9	Very low	29.3	Very low	109 Å²	109	111.6 Å²	111.6	58%	0.583	64%	0.635	S	S	*	*				59.7	148.9	122.2	-71.3	-2	0	0	0	121.1
2454	T	28.8	Very low	29.6	Very low	97 Å²	97	112 Å²	112	60%	0.595	66%	0.655	S	S	*	*			cis	-169.5	169.1	6.8	15	0	0	0	0	112.9
2455	R	27.4	Very low	29.5	Very low	208 Å²	208	114.3 Å²	114.3	79%	0.785	65%	0.654	S	S	*	*			trans	81.5	144	156.7	-61.6	130.6	-171.4	-90.7	2.1	116.7
2456	L	26.8	Very low	29.6	Very low	146 Å²	146	114.9 Å²	114.9	76%	0.764	66%	0.66	S	S	*	*			cis	-163.6	151.9	-10.7	-113.5	171	0	0	0	111.6
2457	S	27.4	Very low	29.4	Very low	95 Å²	95	114.2 Å²	114.2	66%	0.664	66%	0.664	S	S	*	*			trans	80.9	109.4	154.8	-52.4	0	0	0	0	122.3
2458	S	27	Very low	29.3	Very low	115 Å²	115	116.1 Å²	116.1	80%	0.804	68%	0.677	S	S	*	*			trans	67.2	154.2	148.1	35.5	0	0	0	0	121
2459	S	29.1	Very low	29.3	Very low	99 Å²	99	120.6 Å²	120.6	69%	0.692	71%	0.705	S	S	*	*			cis	-176	141.5	-25	52.6	0	0	0	0	113.5
2460	S	29.7	Very low	29.2	Very low	113 Å²	113	123.1 Å²	123.1	79%	0.79	72%	0.716	S	S	*	*			trans	55.1	136.5	161.2	61.5	0	0	0	0	120.7
2461	S	32.3	Very low	29.2	Very low	108 Å²	108	125.7 Å²	125.7	76%	0.755	72%	0.716	S	S	*	*			cis	-169.4	126.3	-13.5	49.3	0	0	0	0	111.3
2462	Q	28.3	Very low	29.1	Very low	108 Å²	108	124.8 Å²	124.8	51%	0.505	72%	0.722	S	S	.	*			trans	-160.7	166.1	168.4	-110.8	179.6	-43	0	0	107.5	N1968	N1968-Q2462 PolarHBondContact ND2-OE1 3.41Å
2463	P	31.1	Very low	29.1	Very low	86 Å²	86	122.8 Å²	122.8	56%	0.558	73%	0.728	S	S	*	*			cis	-90	-166.1	14.5	43.3	-40.7	0	0	0	112.2
2464	P	33	Very low	29.2	Very low	190 Å²	190	124.1 Å²	124.1	100%	1.234	74%	0.741	S	S	*	*				-99.2	0	53.5	-6.7	27	0	0	0	115

Retrieved 2,464 of 2,464 residues in 1481.7 ms (Link to these results)

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