A0A087YRA1_POEFO Loading...

TLR4 interactor with leucine rich repeats

AlphaFold DB , UniProt , Accession A0A087YRA1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 804 aa.

						>A0A087YRA1_POEFO|A0A087YRA1
SSLVGICIFLLSLGGFSSSSPVSDFCPERCDCVHALHLVCANRGLRAVPKAGARVSDDALILSLGGNFITNVSASDFARYCKLVRLNLQYNQIAAIHPKAFEKLSRLEELYLGHNLLTALPAGSLQSLHKLSTFYGNDNAIKKILPENFLNLDNLVKLRLDGNSLEVLQDSVFTSLANLQYLHLEHNKLHHIHRNAFLKLTNLRFLNLAHNKLSALTNVLSFSHLRSLTVLLLSENEIRHIGNHVFQNLKKLSKLSLSNNRISRVDRGAVRGLSSLREFLIDGNELEEINAGWLDPLERVEVLDFSHNRLVNVDPSAFSRLKHLKLLRLKNNFLTSLSGEIFAFNAVLQNIDLHGNNWTCDCRLEDLKRWMTAAQSQRKLLTVFVQCHYPETLRGKYLDYVNSSQLHPLGNWNHSCQSGSGPEDSRGRGVRKKLDGKDGTKNKTELGEREGLRQLNRGGTVMRREWEKRKRGGQEEVEIQGDQGGLEAAEPSILKGKKTKKESRPATEAAGRRTKGSHRSNVIPKIGPLVTSRPSHPTNTWLSTSEPVQPGEKFDLLRSDRDEAPPIISDPCVFNRHFITNVSVDQVTSSTVTVYWTSRDHHRYSPGPRPGLHEVHYRILFDRFGNPDRFPRYVYAGRDSRSVTLRELTSGVTYVVCVEGVVGGFVCHVAPRDHCAGLVTLPEAATRQGSTSLTSDLQLVTVVTLVGNALLLLVISGIWLGRSLRKRLQKRKSAVHVRHMYSTRRPFRPTVAATSVSTDFTSYQSSRSARLAPLEEGDLIEFPCDRFLDSCGVRRDSNMQRFSD
					

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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	S	42.5	Very low	39.4	Very low	168 Å²	168	127.4 Å²	127.4	100%	1.175	75%	0.752	S	S	*	*				0	147.8	0	-46.1	0	0	0	0	110.4
2	S	41.1	Very low	39.5	Very low	99 Å²	99	122.7 Å²	122.7	69%	0.692	73%	0.731	S	S	*	*			cis	-172	177.4	-18.7	-82.3	0	0	0	0	107.6
3	L	35.8	Very low	39.8	Very low	113 Å²	113	124.9 Å²	124.9	59%	0.592	74%	0.736	S	S	*	*			trans	66.4	72.5	167.8	-62.5	112.9	0	0	0	117.5	I6	L3-I6 HydrophobicContact CD2-CD1 3.63Å; L3-I6 HydrophobicContact CG-CD1 4.28Å
4	V	41	Very low	39.2	Very low	135 Å²	135	122.1 Å²	122.1	82%	0.818	75%	0.747	S	S	*	*	S	Bend	trans	-126.4	-29.7	135.7	-179.6	0	0	0	0	110.4	I6	V4-I6 PolarHBondContact O-N 3.06Å
5	G	43.2	Very low	38.7	Very low	68 Å²	68	118.2 Å²	118.2	70%	0.701	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	52.1	175.6	0	0	0	0	0	116.1
6	I	46.9	Very low	38.6	Very low	94 Å²	94	124.1 Å²	124.1	48%	0.482	75%	0.752	S	S	.	*	T	Hydrogen-bonded Turn	trans	-121.7	-32	168.5	-63.3	-166.7	0	0	0	111.5	L3 V4 I8 F9	L3-I6 HydrophobicContact CD2-CD1 3.63Å; L3-I6 HydrophobicContact CG-CD1 4.28Å; V4-I6 PolarHBondContact O-N 3.06Å; I6-I8 VanDerWaalsContact C-N 3.28Å; I6-I8 PolarHBondContact O-N 2.86Å; I6-F9 PolarHBondContact O-N 3.32Å
7	C	33.9	Very low	38.1	Very low	113 Å²	113	123.4 Å²	123.4	76%	0.764	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	-11.4	-179.7	-66.1	0	0	0	0	114.7
8	I	43.1	Very low	37.7	Very low	150 Å²	150	122.5 Å²	122.5	77%	0.769	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	-15.6	175.8	-63.8	175.6	0	0	0	111.5	I6	I6-I8 VanDerWaalsContact C-N 3.28Å; I6-I8 PolarHBondContact O-N 2.86Å
9	F	36.5	Very low	37.4	Very low	154 Å²	154	121.9 Å²	121.9	68%	0.675	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.3	6.9	-177.7	-126.9	-84.4	0	0	0	114.3	I6 S12	I6-F9 PolarHBondContact O-N 3.32Å; F9-S12 PolarHBondContact O-OG 3.35Å
10	L	33.6	Very low	37	Very low	138 Å²	138	120.1 Å²	120.1	72%	0.723	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.8	19.7	179	-69.7	173.9	0	0	0	113.3
11	L	36	Very low	37	Very low	169 Å²	169	120 Å²	120	89%	0.885	75%	0.748	S	S	*	*	S	Bend	trans	-119.7	10	168.8	-77.8	170	0	0	0	112.9
12	S	40.1	Very low	36.8	Very low	71 Å²	71	117.8 Å²	117.8	50%	0.497	73%	0.727	S	S	.	*	S	Bend	trans	-112.1	-10.3	-175.5	51.8	0	0	0	0	115.1	F9	F9-S12 PolarHBondContact O-OG 3.35Å
13	L	43.9	Very low	36.9	Very low	152 Å²	152	118 Å²	118	80%	0.796	73%	0.729	S	S	*	*	S	Bend	trans	-141.7	92.2	-179.3	-72.3	174.2	0	0	0	110.8
14	G	31.8	Very low	37.4	Very low	86 Å²	86	119.4 Å²	119.4	89%	0.887	74%	0.737	S	S	*	*	S	Bend	trans	170.1	41.8	-179	0	0	0	0	0	114.9
15	G	30.6	Very low	38	Very low	63 Å²	63	117.3 Å²	117.3	65%	0.649	72%	0.717	S	S	*	*			trans	-164.4	22.9	-170.7	0	0	0	0	0	116.8	S17	G15-S17 PolarHBondContact O-N 3.18Å
16	F	38	Very low	39.1	Very low	213 Å²	213	116.7 Å²	116.7	93%	0.934	70%	0.701	S	S	*	*			trans	-77.6	56.2	173.7	-91.1	-80	0	0	0	111.9	S18	F16-S18 VanDerWaalsContact C-N 3.27Å; F16-S18 PolarHBondContact O-N 3.35Å
17	S	29.9	Very low	40.1	Very low	111 Å²	111	112.8 Å²	112.8	78%	0.776	68%	0.682	S	S	*	*			trans	-79.6	76	171.8	54.6	0	0	0	0	110.4	G15 S19	G15-S17 PolarHBondContact O-N 3.18Å; S17-S19 PolarHBondContact O-N 3.45Å
18	S	31.2	Very low	41.4	Very low	108 Å²	108	115.3 Å²	115.3	76%	0.755	68%	0.683	S	S	*	*			trans	18.7	74.2	163	-170	0	0	0	0	116.8	F16 S20	F16-S18 VanDerWaalsContact C-N 3.27Å; F16-S18 PolarHBondContact O-N 3.35Å; S18-S20 PolarHBondContact O-N 2.89Å; S18-S20 VanDerWaalsContact O-N 3.08Å
19	S	31.2	Very low	42.7	Very low	111 Å²	111	116 Å²	116	78%	0.776	68%	0.676	S	S	*	*			trans	-66.7	103.1	157.7	55.9	0	0	0	0	108	S17 P21	S17-S19 PolarHBondContact O-N 3.45Å; S19-P21 WeakPolarHBondContact O-CD 3.38Å
20	S	30.6	Very low	44.6	Very low	85 Å²	85	109.3 Å²	109.3	59%	0.594	65%	0.648	S	S	*	*			trans	-55	116.8	-177.8	50.6	0	0	0	0	111.2	S18 V22	S18-S20 PolarHBondContact O-N 2.89Å; S18-S20 VanDerWaalsContact O-N 3.08Å; S20-V22 PolarHBondContact O-N 3.1Å
21	P	36.3	Very low	46.7	Very low	118 Å²	118	106 Å²	106	77%	0.766	63%	0.631	S	S	*	*			trans	-80.9	67.9	-173.2	33.3	-36.2	0	0	0	111.5	S19	S19-P21 WeakPolarHBondContact O-CD 3.38Å
22	V	38.3	Very low	48.3	Very low	122 Å²	122	99.7 Å²	99.7	74%	0.739	60%	0.6	S	S	*	*			trans	-132	51.5	-174.3	-163.1	0	0	0	0	110.5	S20	S20-V22 PolarHBondContact O-N 3.1Å
23	S	43.7	Very low	49.2	Very low	105 Å²	105	102.3 Å²	102.3	73%	0.734	61%	0.613	S	S	*	*	S	Bend	trans	-149.6	27	-172.1	66.5	0	0	0	0	115.5
24	D	45.9	Very low	50.1	Low	141 Å²	141	101.1 Å²	101.1	75%	0.754	60%	0.603	S	S	*	*	S	Bend	trans	-145.8	27.2	-166.8	-125.5	-18.5	0	0	0	115.5
25	F	54.6	Low	51.7	Low	92 Å²	92	99.8 Å²	99.8	40%	0.404	58%	0.584	S	S	.	*			trans	-130.3	-14.6	-169	-70.3	-65.6	0	0	0	117.6	R54 V55	F25-R54 HydrophobicContact CD1-CB 4.14Å; F25-R54 HydrophobicContact CE1-CB 3.98Å; F25-R54 HydrophobicContact CE1-CG 4.15Å; F25-V55 HydrophobicContact CB-CG2 3.91Å; F25-V55 VanDerWaalsContact O-CG2 3.25Å; F25-V55 WeakPolarHBondContact O-CG2 3.27Å
26	C	64.5	Low	53.8	Low	54 Å²	54	100.6 Å²	100.6	37%	0.365	57%	0.573	S	S	.	*	S	Bend	trans	-95.5	138.4	176.6	-160.2	0	0	0	0	111.1	C30 C32	C26-C30 VanDerWaalsContact SG-C 3.59Å; C26-C30 PolarHBondContact SG-O 3.07Å; C26-C32 WeakPolarHBondContact CA-SG 3.33Å; C26-C32 HydrophobicContact CB-CB 3.66Å; C26-C32 WeakPolarHBondContact CB-SG 3.44Å; C26-C32 WeakPolarHBondContact SG-CB 3.22Å; C26-C32 PolarHBondContact SG-N 2.82Å; C26-C32 VanDerWaalsContact SG-N 3.43Å; C26-C32 CovalentContact SG-SG 2.03Å; C26-C32 PolarHBondContact SG-SG 2.89Å
27	P	68.6	Low	55.8	Low	12 Å²	12	94.5 Å²	94.5	8%	0.078	55%	0.547	C	S	.	.	P	Polyproline II helix	trans	-61.5	140.7	170.8	-14.9	28	0	0	0	110.3	R29 C30 L38 P49 A51	P27-R29 PolarHBondContact O-N 3.38Å; P27-C30 WeakPolarHBondContact O-CB 3.47Å; P27-C30 PolarHBondContact O-N 2.81Å; P27-L38 HydrophobicContact CG-CD1 4.12Å; P27-L38 HydrophobicContact CG-CD2 4.21Å; P27-P49 HydrophobicContact CB-CB 3.83Å; P27-P49 HydrophobicContact CB-CG 4.45Å; P27-A51 HydrophobicContact CG-CB 4.31Å
28	E	60.4	Low	58.4	Low	167 Å²	167	89.3 Å²	89.3	78%	0.78	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	133.8	-176.7	-74.5	-169.4	-179.3	0	0	112.3	C30	E28-C30 PolarHBondContact O-N 2.77Å
29	R	71.8	Confident	60.9	Low	165 Å²	165	86.9 Å²	86.9	62%	0.623	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	-3.6	-178.4	-43.1	173.5	-174.8	-162.1	-2.4	116	P27 R43	P27-R29 PolarHBondContact O-N 3.38Å; R29-R43 HydrophobicContact CB-CB 4.07Å; R29-R43 HydrophobicContact CB-CG 4.46Å; R29-R43 WeakPolarHBondContact O-CD 3.41Å; R29-R43 WeakPolarHBondContact O-CG 3.43Å; R29-R43 PolarHBondContact O-NH1 3.25Å
30	C	76.7	Confident	63.5	Low	13 Å²	13	81.6 Å²	81.6	9%	0.088	45%	0.454	C	S	.	.			trans	-83.9	161.8	170.6	-59.8	0	0	0	0	111.9	C26 P27 E28 L38 C40	C26-C30 VanDerWaalsContact SG-C 3.59Å; C26-C30 PolarHBondContact SG-O 3.07Å; P27-C30 WeakPolarHBondContact O-CB 3.47Å; P27-C30 PolarHBondContact O-N 2.81Å; E28-C30 PolarHBondContact O-N 2.77Å; C30-L38 HydrophobicContact CB-CD1 3.72Å; C30-C40 HydrophobicContact CB-CB 4.07Å; C30-C40 WeakPolarHBondContact CB-SG 3.3Å; C30-C40 WeakPolarHBondContact SG-CB 3.33Å; C30-C40 CovalentContact SG-SG 2.04Å; C30-C40 PolarHBondContact SG-SG 2.86Å
31	D	76.3	Confident	66.1	Low	69 Å²	69	78.1 Å²	78.1	37%	0.369	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	128.9	166.9	-56.9	-16.4	0	0	0	109.1	V39 R43	D31-V39 HydrophobicContact CB-CB 4.43Å; D31-V39 PolarHBondContact N-O 3.33Å; D31-V39 PolarHBondContact O-N 3.31Å; D31-R43 IonicContact OD1-CZ 2.67Å; D31-R43 IonicContact OD1-NH1 2.66Å; D31-R43 PolarHBondContact OD1-NH1 2.93Å; D31-R43 IonicContact OD1-NH2 3.86Å; D31-R43 PolarHBondContact OD1-NH2 2.68Å; D31-R43 VanDerWaalsContact OD1-NH2 3.15Å; D31-R43 IonicContact OD2-CZ 2.7Å; D31-R43 IonicContact OD2-NH1 3.64Å; D31-R43 IonicContact OD2-NH2 3.61Å; D31-R43 PolarHBondContact OD2-NH2 3.5Å
32	C	69.4	Low	68.2	Low	36 Å²	36	74.8 Å²	74.8	24%	0.243	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	43.2	-178.9	-57	0	0	0	0	111.8	C26 H34 L38	C26-C32 WeakPolarHBondContact CA-SG 3.33Å; C26-C32 HydrophobicContact CB-CB 3.66Å; C26-C32 WeakPolarHBondContact CB-SG 3.44Å; C26-C32 WeakPolarHBondContact SG-CB 3.22Å; C26-C32 PolarHBondContact SG-N 2.82Å; C26-C32 VanDerWaalsContact SG-N 3.43Å; C26-C32 CovalentContact SG-SG 2.03Å; C26-C32 PolarHBondContact SG-SG 2.89Å; C32-H34 PolarHBondContact O-N 3.35Å; C32-H34 VanDerWaalsContact O-N 3.09Å; C32-L38 WeakPolarHBondContact SG-CD1 3.23Å
33	V	59.2	Low	70.4	Confident	126 Å²	126	71.6 Å²	71.6	76%	0.764	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.7	-29.6	-176.2	-174.8	0	0	0	0	112.2
34	H	63.9	Low	72.3	Confident	126 Å²	126	67.8 Å²	67.8	58%	0.583	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.8	133.2	167.7	-60	81.4	0	0	0	108.6	C32 L36 H37	C32-H34 PolarHBondContact O-N 3.35Å; C32-H34 VanDerWaalsContact O-N 3.09Å; H34-L36 PolarHBondContact O-N 3.44Å; H34-H37 HydrophobicContact CB-CB 4.45Å; H34-H37 PolarHBondContact O-N 2.77Å
35	A	64.2	Low	74.2	Confident	58 Å²	58	62 Å²	62	48%	0.479	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-24	-177.9	0	0	0	0	0	114.1
36	L	74.7	Confident	76	Confident	80 Å²	80	67.3 Å²	67.3	42%	0.419	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-18.3	177.8	-54	179.4	0	0	0	113.6	H34 D58 L60 I61	H34-L36 PolarHBondContact O-N 3.44Å; L36-D58 HydrophobicContact CD2-CB 4.24Å; L36-D58 VanDerWaalsContact CD2-O 3.26Å; L36-D58 WeakPolarHBondContact CD2-O 3.31Å; L36-L60 HydrophobicContact CB-CD1 4.32Å; L36-L60 HydrophobicContact CB-CG 4.24Å; L36-L60 HydrophobicContact CD1-CD1 4.11Å; L36-L60 HydrophobicContact CD2-CD1 4.45Å; L36-L60 HydrophobicContact CD2-CG 4.33Å; L36-L60 PolarHBondContact O-N 2.81Å; L36-I61 PolarHBondContact O-N 3.18Å; L36-I61 VanDerWaalsContact O-N 3.1Å
37	H	81	Confident	77.1	Confident	86 Å²	86	67.5 Å²	67.5	40%	0.398	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	98.8	-170.9	-76	-154	0	0	0	110.5	H34	H34-H37 HydrophobicContact CB-CB 4.45Å; H34-H37 PolarHBondContact O-N 2.77Å
38	L	84.2	Confident	78.1	Confident	2 Å²	2	67.3 Å²	67.3	1%	0.01	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	108	-177.8	177.6	53.3	0	0	0	110.7	P27 C30 C32 I61 L62 S63 Y80	P27-L38 HydrophobicContact CG-CD1 4.12Å; P27-L38 HydrophobicContact CG-CD2 4.21Å; C30-L38 HydrophobicContact CB-CD1 3.72Å; C32-L38 WeakPolarHBondContact SG-CD1 3.23Å; L38-I61 PolarHBondContact N-O 2.8Å; L38-L62 HydrophobicContact CB-CD1 4.1Å; L38-L62 HydrophobicContact CD2-CD1 3.77Å; L38-L62 HydrophobicContact CG-CD1 3.71Å; L38-S63 PolarHBondContact O-N 2.86Å; L38-Y80 HydrophobicContact CD2-CE1 4.04Å
39	V	84.4	Confident	79.2	Confident	57 Å²	57	60.2 Å²	60.2	35%	0.345	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	102.1	-174.8	-177	0	0	0	0	110.7	D31	D31-V39 HydrophobicContact CB-CB 4.43Å; D31-V39 PolarHBondContact N-O 3.33Å; D31-V39 PolarHBondContact O-N 3.31Å
40	C	85.8	Confident	79.3	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.33	C	S	.	.			trans	-111	21.8	-176.7	-61.6	0	0	0	0	112.6	C30 R43 L45 S63 L64 N67	C30-C40 HydrophobicContact CB-CB 4.07Å; C30-C40 WeakPolarHBondContact CB-SG 3.3Å; C30-C40 WeakPolarHBondContact SG-CB 3.33Å; C30-C40 CovalentContact SG-SG 2.04Å; C30-C40 PolarHBondContact SG-SG 2.86Å; C40-R43 WeakPolarHBondContact O-CG 3.44Å; C40-L45 HydrophobicContact CB-CD1 3.83Å; C40-S63 CarbonylContact C-O 3.52Å; C40-S63 WeakPolarHBondContact CA-O 3.49Å; C40-S63 PolarHBondContact N-O 2.86Å; C40-L64 HydrophobicContact CB-CD2 3.52Å; C40-L64 HydrophobicContact CB-CG 4.31Å; C40-N67 PolarHBondContact O-ND2 3.4Å
41	A	83.8	Confident	78.6	Confident	12 Å²	12	62.4 Å²	62.4	10%	0.099	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	141.5	-172.5	0	0	0	0	0	113.5	R43 S63 G65	A41-R43 VanDerWaalsContact C-N 3.33Å; A41-R43 WeakPolarHBondContact O-CD 3.28Å; A41-R43 WeakPolarHBondContact O-CG 3.49Å; A41-R43 PolarHBondContact O-N 3.31Å; A41-R43 PolarHBondContact O-NE 3.43Å; A41-S63 PolarHBondContact N-O 3.5Å; A41-G65 WeakPolarHBondContact CA-O 3.24Å; A41-G65 WeakPolarHBondContact CB-O 3.4Å
42	N	80.9	Confident	77.9	Confident	48 Å²	48	61 Å²	61	26%	0.257	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	30.4	-179.9	-68.1	-47.1	0	0	0	116.4	G65 G66 V669 A670	N42-G65 PolarHBondContact N-O 2.9Å; N42-G66 VanDerWaalsContact CA-O 3.28Å; N42-G66 WeakPolarHBondContact CA-O 3.34Å; N42-G66 PolarHBondContact N-O 3.46Å; N42-G66 PolarHBondContact OD1-O 2.86Å; N42-V669 WeakPolarHBondContact ND2-CA 3.31Å; N42-A670 PolarHBondContact ND2-N 2.83Å; N42-A670 PolarHBondContact ND2-O 3.48Å
43	R	83.7	Confident	77.1	Confident	55 Å²	55	63.1 Å²	63.1	21%	0.208	35%	0.354	C	S	.	.	S	Bend	trans	-98	1.4	-175	-52.6	-56.9	166.9	113.5	-9.9	114.3	R29 D31 C40 A41 L45 N67	R29-R43 HydrophobicContact CB-CB 4.07Å; R29-R43 HydrophobicContact CB-CG 4.46Å; R29-R43 WeakPolarHBondContact O-CD 3.41Å; R29-R43 WeakPolarHBondContact O-CG 3.43Å; R29-R43 PolarHBondContact O-NH1 3.25Å; D31-R43 IonicContact OD1-CZ 2.67Å; D31-R43 IonicContact OD1-NH1 2.66Å; D31-R43 PolarHBondContact OD1-NH1 2.93Å; D31-R43 IonicContact OD1-NH2 3.86Å; D31-R43 PolarHBondContact OD1-NH2 2.68Å; D31-R43 VanDerWaalsContact OD1-NH2 3.15Å; D31-R43 IonicContact OD2-CZ 2.7Å; D31-R43 IonicContact OD2-NH1 3.64Å; D31-R43 IonicContact OD2-NH2 3.61Å; D31-R43 PolarHBondContact OD2-NH2 3.5Å; C40-R43 WeakPolarHBondContact O-CG 3.44Å; A41-R43 VanDerWaalsContact C-N 3.33Å; A41-R43 WeakPolarHBondContact O-CD 3.28Å; A41-R43 WeakPolarHBondContact O-CG 3.49Å; A41-R43 PolarHBondContact O-N 3.31Å; A41-R43 PolarHBondContact O-NE 3.43Å; R43-L45 VanDerWaalsContact C-N 3.29Å; R43-L45 HydrophobicContact CB-CD1 4.31Å; R43-L45 HydrophobicContact CB-CG 4.01Å; R43-L45 PolarHBondContact O-N 3.47Å; R43-N67 PolarHBondContact N-OD1 2.87Å
44	G	84.4	Confident	76.9	Confident	24 Å²	24	66 Å²	66	25%	0.247	35%	0.351	C	S	.	.			trans	70.1	24.4	-180	0	0	0	0	0	113.5	N67	G44-N67 PolarHBondContact N-OD1 2.82Å
45	L	86.8	Confident	76.5	Confident	21 Å²	21	60.7 Å²	60.7	11%	0.11	33%	0.328	C	S	.	.			trans	-66.9	136.8	-178.4	-60.6	171.6	0	0	0	110.4	C40 R43 P49 L64 N67 F68 I69	C40-L45 HydrophobicContact CB-CD1 3.83Å; R43-L45 VanDerWaalsContact C-N 3.29Å; R43-L45 HydrophobicContact CB-CD1 4.31Å; R43-L45 HydrophobicContact CB-CG 4.01Å; R43-L45 PolarHBondContact O-N 3.47Å; L45-P49 HydrophobicContact CD1-CG 4.34Å; L45-L64 HydrophobicContact CD1-CD2 3.86Å; L45-N67 HydrophobicContact CB-CB 4.23Å; L45-N67 PolarHBondContact N-OD1 3.16Å; L45-F68 CarbonylContact O-C 3.47Å; L45-F68 VanDerWaalsContact O-C 3.22Å; L45-F68 WeakPolarHBondContact O-CA 3.37Å; L45-F68 PolarHBondContact O-N 2.89Å; L45-I69 PolarHBondContact O-N 3.4Å
46	R	90.3	Very high	76.4	Confident	202 Å²	202	58 Å²	58	76%	0.762	31%	0.306	S	S	*	.	S	Bend	trans	-103	-6.7	177.7	-66.7	-174.6	177.3	-154.8	-1.2	114.1	F68	R46-F68 WeakPolarHBondContact CA-O 3.29Å; R46-F68 HydrophobicContact CG-CB 4.24Å
47	A	89.6	Confident	76	Confident	58 Å²	58	57.6 Å²	57.6	48%	0.479	30%	0.304	S	S	.	.	S	Bend	trans	-150.2	164.9	177.6	0	0	0	0	0	108.8
48	V	89.4	Confident	75.8	Confident	9 Å²	9	56.9 Å²	56.9	6%	0.055	30%	0.303	C	S	.	.			trans	-63.3	130.2	171.3	179.8	0	0	0	0	109.2	K50 L64 I69 D76 F77	V48-K50 PolarHBondContact O-N 2.86Å; V48-L64 HydrophobicContact CG1-CD1 4.09Å; V48-L64 HydrophobicContact CG2-CD1 4.32Å; V48-I69 HydrophobicContact CG2-CD1 4.38Å; V48-D76 HydrophobicContact CB-CB 3.83Å; V48-D76 HydrophobicContact CG1-CB 4.09Å; V48-D76 HydrophobicContact CG2-CB 3.88Å; V48-F77 HydrophobicContact CG1-CD1 4.32Å; V48-F77 HydrophobicContact CG1-CE1 3.73Å; V48-F77 HydrophobicContact CG1-CZ 4.21Å; V48-F77 HydrophobicContact CG2-CE1 4.07Å; V48-F77 HydrophobicContact CG2-CE2 4.37Å; V48-F77 HydrophobicContact CG2-CZ 3.66Å
49	P	83.6	Confident	75.7	Confident	18 Å²	18	56.8 Å²	56.8	12%	0.117	30%	0.302	C	S	.	.			trans	-69	128.9	-178.7	26.9	-32.8	0	0	0	110.8	P27 L45 A51 L64 Y80	P27-P49 HydrophobicContact CB-CB 3.83Å; P27-P49 HydrophobicContact CB-CG 4.45Å; L45-P49 HydrophobicContact CD1-CG 4.34Å; P49-A51 PolarHBondContact O-N 3.34Å; P49-A51 VanDerWaalsContact O-N 3.11Å; P49-L64 VanDerWaalsContact CD-CD2 3.45Å; P49-L64 HydrophobicContact CG-CD2 3.97Å; P49-Y80 PolarHBondContact O-OH 3.31Å
50	K	73.8	Confident	75.9	Confident	206 Å²	206	56.4 Å²	56.4	90%	0.896	30%	0.298	S	S	*	.			trans	-72.2	102.1	174.8	-64.9	179.7	-178.3	177.3	0	108.8	V48	V48-K50 PolarHBondContact O-N 2.86Å
51	A	61.6	Low	76	Confident	18 Å²	18	57.8 Å²	57.8	15%	0.149	31%	0.305	C	S	.	.			trans	-67.4	146	-178.6	0	0	0	0	0	112.8	P27 P49 Y80	P27-A51 HydrophobicContact CG-CB 4.31Å; P49-A51 PolarHBondContact O-N 3.34Å; P49-A51 VanDerWaalsContact O-N 3.11Å; A51-Y80 WeakPolarHBondContact CB-OH 3.42Å
52	G	60.4	Low	76.3	Confident	38 Å²	38	57.2 Å²	57.2	39%	0.392	30%	0.3	S	S	.	.			trans	-64.4	156.9	171.7	0	0	0	0	0	112.2	R54 V55	G52-R54 PolarHBondContact O-N 3.34Å; G52-V55 PolarHBondContact O-N 2.85Å
53	A	54	Low	76.8	Confident	81 Å²	81	56 Å²	56	67%	0.669	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	7.8	-162.1	0	0	0	0	0	117.3
54	R	54.1	Low	77.1	Confident	187 Å²	187	53.3 Å²	53.3	71%	0.706	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.1	-24.4	176.1	-66.9	-168.4	-178.3	171.3	-0.7	115.5	F25 G52	F25-R54 HydrophobicContact CD1-CB 4.14Å; F25-R54 HydrophobicContact CE1-CB 3.98Å; F25-R54 HydrophobicContact CE1-CG 4.15Å; G52-R54 PolarHBondContact O-N 3.34Å
55	V	56.4	Low	77.4	Confident	15 Å²	15	52.3 Å²	52.3	9%	0.091	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-22	-177.9	169.2	0	0	0	0	112.6	F25 G52 D57	F25-V55 HydrophobicContact CB-CG2 3.91Å; F25-V55 VanDerWaalsContact O-CG2 3.25Å; F25-V55 WeakPolarHBondContact O-CG2 3.27Å; G52-V55 PolarHBondContact O-N 2.85Å; V55-D57 VanDerWaalsContact C-N 3.28Å; V55-D57 PolarHBondContact O-N 2.88Å
56	S	60.7	Low	77.4	Confident	1 Å²	1	52 Å²	52	1%	0.007	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-28.2	-177.1	-156.7	0	0	0	0	114.4	R79 Y80	S56-R79 WeakPolarHBondContact OG-CB 3.19Å; S56-Y80 WeakPolarHBondContact O-CA 3.45Å; S56-Y80 WeakPolarHBondContact O-CD1 3.37Å
57	D	66.9	Low	77.4	Confident	71 Å²	71	42.5 Å²	42.5	38%	0.38	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-17.3	-165.1	-66.5	32.3	0	0	0	112.5	V55 K82	V55-D57 VanDerWaalsContact C-N 3.28Å; V55-D57 PolarHBondContact O-N 2.88Å; D57-K82 WeakPolarHBondContact O-CD 3.45Å; D57-K82 WeakPolarHBondContact O-CE 3.41Å; D57-K82 VanDerWaalsContact O-CG 3.32Å; D57-K82 WeakPolarHBondContact O-CG 3.3Å
58	D	76.9	Confident	77.6	Confident	71 Å²	71	44 Å²	44	38%	0.38	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-11.9	-179.1	-78.1	-41.4	0	0	0	114.6	L36 L60 K82	L36-D58 HydrophobicContact CD2-CB 4.24Å; L36-D58 VanDerWaalsContact CD2-O 3.26Å; L36-D58 WeakPolarHBondContact CD2-O 3.31Å; D58-L60 PolarHBondContact O-N 3.38Å; D58-K82 IonicContact OD1-NZ 2.77Å; D58-K82 PolarHBondContact OD1-NZ 2.92Å
59	A	82.9	Confident	77.9	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.234	C	C	.	.			trans	-61.3	123.6	-179.9	0	0	0	0	0	112.3	Y80 K82 L83	A59-Y80 HydrophobicContact CB-CD1 4.14Å; A59-Y80 HydrophobicContact CB-CE1 4.37Å; A59-K82 CarbonylContact O-C 3.22Å; A59-L83 HydrophobicContact CB-CD2 4.47Å; A59-L83 WeakPolarHBondContact O-CD2 3.4Å; A59-L83 PolarHBondContact O-N 3.3Å
60	L	87.3	Confident	78.4	Confident	50 Å²	50	45.6 Å²	45.6	26%	0.262	25%	0.247	S	C	.	.	S	Bend	trans	-97.1	-29.3	176.6	-57.1	-177.9	0	0	0	112.1	L36 D58 K82 V84 R85	L36-L60 HydrophobicContact CB-CD1 4.32Å; L36-L60 HydrophobicContact CB-CG 4.24Å; L36-L60 HydrophobicContact CD1-CD1 4.11Å; L36-L60 HydrophobicContact CD2-CD1 4.45Å; L36-L60 HydrophobicContact CD2-CG 4.33Å; L36-L60 PolarHBondContact O-N 2.81Å; D58-L60 PolarHBondContact O-N 3.38Å; L60-K82 HydrophobicContact CD2-CB 4.05Å; L60-K82 WeakPolarHBondContact CD2-O 3.43Å; L60-V84 PolarHBondContact O-N 3.2Å; L60-R85 PolarHBondContact O-N 2.98Å; L60-R85 VanDerWaalsContact O-N 3.13Å
61	I	88.7	Confident	79.4	Confident	28 Å²	28	40.1 Å²	40.1	14%	0.144	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	128.4	177.5	-52.9	-169.3	0	0	0	109.8	L36 L38 R85	L36-I61 PolarHBondContact O-N 3.18Å; L36-I61 VanDerWaalsContact O-N 3.1Å; L38-I61 PolarHBondContact N-O 2.8Å; I61-R85 WeakPolarHBondContact CA-O 3.33Å; I61-R85 HydrophobicContact CG1-CB 4.22Å; I61-R85 HydrophobicContact CG2-CB 4.2Å; I61-R85 HydrophobicContact CG2-CG 4.15Å
62	L	90.1	Very high	81	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	114.6	173.9	174	52.6	0	0	0	110.3	L38 L64 F77 Y80 L83 R85 L86 N87	L38-L62 HydrophobicContact CB-CD1 4.1Å; L38-L62 HydrophobicContact CD2-CD1 3.77Å; L38-L62 HydrophobicContact CG-CD1 3.71Å; L62-L64 HydrophobicContact CD1-CD1 3.91Å; L62-L64 HydrophobicContact CD1-CD2 4.46Å; L62-L64 HydrophobicContact CD1-CG 3.82Å; L62-L64 HydrophobicContact CD2-CD1 3.89Å; L62-L64 HydrophobicContact CG-CD1 3.81Å; L62-L64 HydrophobicContact CG-CG 4.12Å; L62-F77 HydrophobicContact CD2-CD1 4.08Å; L62-F77 HydrophobicContact CD2-CE1 3.77Å; L62-Y80 HydrophobicContact CD2-CD1 4.28Å; L62-Y80 HydrophobicContact CD2-CE1 3.99Å; L62-Y80 HydrophobicContact CD2-CE2 4.41Å; L62-L83 HydrophobicContact CB-CD1 4.07Å; L62-L83 HydrophobicContact CB-CD2 3.65Å; L62-L83 HydrophobicContact CD2-CD1 4.19Å; L62-R85 PolarHBondContact N-O 2.82Å; L62-L86 HydrophobicContact CB-CD1 4.01Å; L62-L86 HydrophobicContact CD2-CD1 3.94Å; L62-L86 HydrophobicContact CG-CD1 3.83Å; L62-N87 PolarHBondContact O-N 2.82Å
63	S	90.6	Very high	82.5	Confident	22 Å²	22	39.6 Å²	39.6	15%	0.154	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	101.5	-178.7	-69.5	0	0	0	0	111.2	L38 C40 A41	L38-S63 PolarHBondContact O-N 2.86Å; C40-S63 CarbonylContact C-O 3.52Å; C40-S63 WeakPolarHBondContact CA-O 3.49Å; C40-S63 PolarHBondContact N-O 2.86Å; A41-S63 PolarHBondContact N-O 3.5Å
64	L	90.9	Very high	84.3	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.202	C	C	.	.			trans	-108.2	13.8	179.8	-74.5	161	0	0	0	112.9	C40 L45 V48 P49 L62 N67 I69 F77 N87 L88 N91	C40-L64 HydrophobicContact CB-CD2 3.52Å; C40-L64 HydrophobicContact CB-CG 4.31Å; L45-L64 HydrophobicContact CD1-CD2 3.86Å; V48-L64 HydrophobicContact CG1-CD1 4.09Å; V48-L64 HydrophobicContact CG2-CD1 4.32Å; P49-L64 VanDerWaalsContact CD-CD2 3.45Å; P49-L64 HydrophobicContact CG-CD2 3.97Å; L62-L64 HydrophobicContact CD1-CD1 3.91Å; L62-L64 HydrophobicContact CD1-CD2 4.46Å; L62-L64 HydrophobicContact CD1-CG 3.82Å; L62-L64 HydrophobicContact CD2-CD1 3.89Å; L62-L64 HydrophobicContact CG-CD1 3.81Å; L62-L64 HydrophobicContact CG-CG 4.12Å; L64-N67 PolarHBondContact O-ND2 3.17Å; L64-I69 HydrophobicContact CB-CD1 4.17Å; L64-I69 HydrophobicContact CD1-CD1 4.48Å; L64-I69 HydrophobicContact CD2-CD1 4.24Å; L64-F77 HydrophobicContact CD1-CE1 4.13Å; L64-F77 HydrophobicContact CD1-CZ 4.39Å; L64-N87 WeakPolarHBondContact CA-O 3.45Å; L64-N87 PolarHBondContact N-O 3.39Å; L64-L88 HydrophobicContact CB-CD2 3.8Å; L64-L88 HydrophobicContact CD1-CD2 3.86Å; L64-L88 HydrophobicContact CG-CD2 4.48Å; L64-N91 PolarHBondContact O-ND2 2.88Å
65	G	90.3	Very high	86	Confident	2 Å²	2	33 Å²	33	2%	0.021	20%	0.197	C	C	.	.			trans	-65.3	152.1	-176.6	0	0	0	0	0	114.7	A41 N42 N67 Q89	A41-G65 WeakPolarHBondContact CA-O 3.24Å; A41-G65 WeakPolarHBondContact CB-O 3.4Å; N42-G65 PolarHBondContact N-O 2.9Å; G65-N67 PolarHBondContact O-ND2 2.78Å; G65-Q89 CarbonylContact C-O 3.44Å; G65-Q89 WeakPolarHBondContact CA-O 3.48Å
66	G	86.9	Confident	87.6	Confident	15 Å²	15	34.2 Å²	34.2	16%	0.155	20%	0.203	C	C	.	.	S	Bend	trans	70.7	39.7	178.6	0	0	0	0	0	113.6	N42 Q89 Y90	N42-G66 VanDerWaalsContact CA-O 3.28Å; N42-G66 WeakPolarHBondContact CA-O 3.34Å; N42-G66 PolarHBondContact N-O 3.46Å; N42-G66 PolarHBondContact OD1-O 2.86Å; G66-Q89 PolarHBondContact N-O 3.25Å; G66-Y90 CarbonylContact C-O 3.45Å; G66-Y90 WeakPolarHBondContact CA-O 3.45Å; G66-Y90 PolarHBondContact N-O 2.96Å
67	N	90.6	Very high	89.1	Confident	3 Å²	3	34.2 Å²	34.2	2%	0.016	20%	0.203	C	C	.	.	S	Bend	trans	-124.1	-172.6	-178.9	-78.6	-66.7	0	0	0	110.7	C40 R43 G44 L45 L64 G65 I69 Y90 N91	C40-N67 PolarHBondContact O-ND2 3.4Å; R43-N67 PolarHBondContact N-OD1 2.87Å; G44-N67 PolarHBondContact N-OD1 2.82Å; L45-N67 HydrophobicContact CB-CB 4.23Å; L45-N67 PolarHBondContact N-OD1 3.16Å; L64-N67 PolarHBondContact O-ND2 3.17Å; G65-N67 PolarHBondContact O-ND2 2.78Å; N67-I69 HydrophobicContact CB-CG1 4.28Å; N67-Y90 PolarHBondContact N-O 3.03Å; N67-N91 WeakPolarHBondContact CA-OD1 3.2Å; N67-N91 WeakPolarHBondContact CB-OD1 3.47Å; N67-N91 WeakPolarHBondContact O-CA 3.47Å; N67-N91 PolarHBondContact O-OD1 2.9Å
68	F	93.9	Very high	90.1	Very high	88 Å²	88	32.9 Å²	32.9	39%	0.386	20%	0.201	S	C	.	.			trans	-115.8	33.4	-178.6	-53.3	-60.7	0	0	0	111.2	L45 R46 T70	L45-F68 CarbonylContact O-C 3.47Å; L45-F68 VanDerWaalsContact O-C 3.22Å; L45-F68 WeakPolarHBondContact O-CA 3.37Å; L45-F68 PolarHBondContact O-N 2.89Å; R46-F68 WeakPolarHBondContact CA-O 3.29Å; R46-F68 HydrophobicContact CG-CB 4.24Å; F68-T70 PolarHBondContact O-N 3.48Å
69	I	94.8	Very high	90.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.209	C	C	.	.			trans	-69.2	122.5	177.9	-57	174.7	0	0	0	108.1	L45 V48 L64 N67 L88 N91 Q92 I93	L45-I69 PolarHBondContact O-N 3.4Å; V48-I69 HydrophobicContact CG2-CD1 4.38Å; L64-I69 HydrophobicContact CB-CD1 4.17Å; L64-I69 HydrophobicContact CD1-CD1 4.48Å; L64-I69 HydrophobicContact CD2-CD1 4.24Å; N67-I69 HydrophobicContact CB-CG1 4.28Å; I69-L88 HydrophobicContact CD1-CD2 4.29Å; I69-N91 VanDerWaalsContact CB-OD1 3.28Å; I69-N91 WeakPolarHBondContact CB-OD1 3.22Å; I69-N91 WeakPolarHBondContact CG1-OD1 3.48Å; I69-N91 PolarHBondContact N-OD1 3.32Å; I69-Q92 CarbonylContact O-C 3.45Å; I69-Q92 WeakPolarHBondContact O-CA 3.38Å; I69-Q92 PolarHBondContact O-N 3.28Å; I69-I93 HydrophobicContact CB-CG1 4.36Å; I69-I93 HydrophobicContact CG2-CG1 4.2Å; I69-I93 VanDerWaalsContact O-CG1 3.31Å; I69-I93 WeakPolarHBondContact O-CG1 3.27Å; I69-I93 PolarHBondContact O-N 2.83Å; I69-I93 VanDerWaalsContact O-N 3.09Å
70	T	94.6	Very high	90.6	Very high	62 Å²	62	36.4 Å²	36.4	38%	0.38	21%	0.21	S	C	.	.			trans	-100.8	-26.5	-174	53.9	0	0	0	0	114.3	F68 Q92 I93 A94	F68-T70 PolarHBondContact O-N 3.48Å; T70-Q92 WeakPolarHBondContact CA-O 3.37Å; T70-Q92 HydrophobicContact CG2-CB 4.14Å; T70-I93 WeakPolarHBondContact O-CA 3.35Å; T70-A94 PolarHBondContact O-N 3.28Å
71	N	94.3	Very high	90.7	Very high	90 Å²	90	36.7 Å²	36.7	48%	0.481	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	152.2	179.9	-68.5	-55.4	0	0	0	110	A95	N71-A95 WeakPolarHBondContact CA-O 3.34Å; N71-A95 WeakPolarHBondContact OD1-CB 3.31Å
72	V	94.9	Very high	90.7	Very high	5 Å²	5	39 Å²	39	3%	0.03	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	122.7	172	178.8	0	0	0	0	109.8	D76 F77 I93 A95 I96 H97 A100	V72-D76 HydrophobicContact CG1-CB 4.5Å; V72-F77 HydrophobicContact CG1-CD2 3.98Å; V72-F77 HydrophobicContact CG1-CE2 3.51Å; V72-I93 HydrophobicContact CG2-CD1 4Å; V72-I93 HydrophobicContact CG2-CG1 4.47Å; V72-I93 HydrophobicContact CG2-CG2 4.03Å; V72-A95 PolarHBondContact N-O 3.2Å; V72-I96 HydrophobicContact CB-CG1 4.22Å; V72-I96 HydrophobicContact CB-CG2 4.4Å; V72-I96 HydrophobicContact CG2-CG1 4.31Å; V72-H97 WeakPolarHBondContact O-CB 3.3Å; V72-H97 PolarHBondContact O-N 3.42Å; V72-A100 HydrophobicContact CG1-CB 3.67Å
73	S	93.4	Very high	90.8	Very high	41 Å²	41	39 Å²	39	29%	0.287	22%	0.224	S	C	.	.			trans	-87.7	173	-177.5	98.8	0	0	0	0	113.5	S75 D76 A100	S73-S75 VanDerWaalsContact C-N 3.28Å; S73-S75 PolarHBondContact O-N 3.11Å; S73-S75 PolarHBondContact OG-N 3.06Å; S73-S75 VanDerWaalsContact OG-N 3.11Å; S73-S75 PolarHBondContact OG-OG 2.8Å; S73-D76 VanDerWaalsContact CB-OD1 3.3Å; S73-D76 WeakPolarHBondContact CB-OD1 3.42Å; S73-D76 PolarHBondContact N-OD2 2.73Å; S73-D76 PolarHBondContact OG-N 3.28Å; S73-D76 PolarHBondContact OG-OD1 2.76Å; S73-A100 WeakPolarHBondContact O-CA 3.44Å; S73-A100 WeakPolarHBondContact O-CB 3.4Å
74	A	91.6	Very high	91	Very high	45 Å²	45	39.7 Å²	39.7	37%	0.372	23%	0.227	S	C	.	.	S	Bend	trans	-66.7	-25.8	174.5	0	0	0	0	0	114	H97	A74-H97 WeakPolarHBondContact CB-ND1 3.39Å
75	S	89.3	Confident	91.2	Very high	85 Å²	85	44.2 Å²	44.2	59%	0.594	24%	0.244	S	C	*	.	S	Bend	trans	-103.9	-14.2	-171.6	49.6	0	0	0	0	113.9	S73 F77 A78	S73-S75 VanDerWaalsContact C-N 3.28Å; S73-S75 PolarHBondContact O-N 3.11Å; S73-S75 PolarHBondContact OG-N 3.06Å; S73-S75 VanDerWaalsContact OG-N 3.11Å; S73-S75 PolarHBondContact OG-OG 2.8Å; S75-F77 VanDerWaalsContact C-N 3.29Å; S75-F77 PolarHBondContact O-N 3.05Å; S75-A78 WeakPolarHBondContact O-CB 3.47Å; S75-A78 PolarHBondContact O-N 3.31Å; S75-A78 VanDerWaalsContact O-N 3.15Å
76	D	90.4	Very high	91.4	Very high	39 Å²	39	44.1 Å²	44.1	21%	0.209	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-41.9	-175	-69.3	1.1	0	0	0	112.8	V48 V72 S73	V48-D76 HydrophobicContact CB-CB 3.83Å; V48-D76 HydrophobicContact CG1-CB 4.09Å; V48-D76 HydrophobicContact CG2-CB 3.88Å; V72-D76 HydrophobicContact CG1-CB 4.5Å; S73-D76 VanDerWaalsContact CB-OD1 3.3Å; S73-D76 WeakPolarHBondContact CB-OD1 3.42Å; S73-D76 PolarHBondContact N-OD2 2.73Å; S73-D76 PolarHBondContact OG-N 3.28Å; S73-D76 PolarHBondContact OG-OD1 2.76Å
77	F	91.3	Very high	91.8	Very high	1 Å²	1	44.2 Å²	44.2	0%	0.004	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	5.5	179.8	-57.5	-58.6	0	0	0	114.3	V48 L62 L64 V72 S75 R79 Y80 L86 L88 F101 L104	V48-F77 HydrophobicContact CG1-CD1 4.32Å; V48-F77 HydrophobicContact CG1-CE1 3.73Å; V48-F77 HydrophobicContact CG1-CZ 4.21Å; V48-F77 HydrophobicContact CG2-CE1 4.07Å; V48-F77 HydrophobicContact CG2-CE2 4.37Å; V48-F77 HydrophobicContact CG2-CZ 3.66Å; L62-F77 HydrophobicContact CD2-CD1 4.08Å; L62-F77 HydrophobicContact CD2-CE1 3.77Å; L64-F77 HydrophobicContact CD1-CE1 4.13Å; L64-F77 HydrophobicContact CD1-CZ 4.39Å; V72-F77 HydrophobicContact CG1-CD2 3.98Å; V72-F77 HydrophobicContact CG1-CE2 3.51Å; S75-F77 VanDerWaalsContact C-N 3.29Å; S75-F77 PolarHBondContact O-N 3.05Å; F77-R79 PolarHBondContact O-N 2.78Å; F77-R79 VanDerWaalsContact O-N 3.1Å; F77-Y80 HydrophobicContact CD1-CD2 4.33Å; F77-Y80 PolarHBondContact O-N 3.43Å; F77-L86 HydrophobicContact CD1-CD2 4.26Å; F77-L86 HydrophobicContact CD2-CD2 4.21Å; F77-L86 HydrophobicContact CE1-CD1 3.87Å; F77-L86 HydrophobicContact CE1-CD2 4.1Å; F77-L86 HydrophobicContact CE2-CD2 4.01Å; F77-L86 HydrophobicContact CG-CD2 4.34Å; F77-L86 HydrophobicContact CZ-CD1 4.11Å; F77-L86 HydrophobicContact CZ-CD2 3.98Å; F77-L88 HydrophobicContact CE2-CD1 3.99Å; F77-L88 HydrophobicContact CZ-CD1 3.82Å; F77-L88 HydrophobicContact CZ-CD2 4.09Å; F77-L88 HydrophobicContact CZ-CG 4.42Å; F77-F101 AromaticContact CD2-CD1 3.91Å; F77-F101 HydrophobicContact CD2-CD1 3.91Å; F77-F101 AromaticContact CD2-CE1 3.82Å; F77-F101 HydrophobicContact CD2-CE1 3.82Å; F77-F101 HydrophobicContact CE2-CD1 4.36Å; F77-F101 AromaticContact CE2-CE1 3.8Å; F77-F101 HydrophobicContact CE2-CE1 3.8Å; F77-L104 HydrophobicContact CB-CD1 4.01Å; F77-L104 HydrophobicContact CB-CD2 4.18Å; F77-L104 HydrophobicContact CB-CG 4.32Å; F77-L104 HydrophobicContact CG-CD1 4.35Å
78	A	87.4	Confident	92	Very high	43 Å²	43	44.1 Å²	44.1	36%	0.355	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-15.4	-167.6	0	0	0	0	0	115.7	S75	S75-A78 WeakPolarHBondContact O-CB 3.47Å; S75-A78 PolarHBondContact O-N 3.31Å; S75-A78 VanDerWaalsContact O-N 3.15Å
79	R	84.6	Confident	92	Very high	142 Å²	142	41.1 Å²	41.1	54%	0.536	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-19.5	173.6	-71.7	178	176.9	-103.2	1.6	113.7	S56 F77 C81	S56-R79 WeakPolarHBondContact OG-CB 3.19Å; F77-R79 PolarHBondContact O-N 2.78Å; F77-R79 VanDerWaalsContact O-N 3.1Å; R79-C81 PolarHBondContact O-N 3.3Å
80	Y	87.3	Confident	91.9	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.016	24%	0.236	C	C	.	.			trans	-84.3	41.2	-168.2	-69	-88.7	0	0	0	113.1	L38 P49 A51 S56 A59 L62 F77 K82 L83 L104	L38-Y80 HydrophobicContact CD2-CE1 4.04Å; P49-Y80 PolarHBondContact O-OH 3.31Å; A51-Y80 WeakPolarHBondContact CB-OH 3.42Å; S56-Y80 WeakPolarHBondContact O-CA 3.45Å; S56-Y80 WeakPolarHBondContact O-CD1 3.37Å; A59-Y80 HydrophobicContact CB-CD1 4.14Å; A59-Y80 HydrophobicContact CB-CE1 4.37Å; L62-Y80 HydrophobicContact CD2-CD1 4.28Å; L62-Y80 HydrophobicContact CD2-CE1 3.99Å; L62-Y80 HydrophobicContact CD2-CE2 4.41Å; F77-Y80 HydrophobicContact CD1-CD2 4.33Å; F77-Y80 PolarHBondContact O-N 3.43Å; Y80-K82 PolarHBondContact O-N 3.13Å; Y80-L83 HydrophobicContact CD1-CD1 4.29Å; Y80-L83 HydrophobicContact CD1-CG 4.48Å; Y80-L83 HydrophobicContact CG-CD1 4.14Å; Y80-L83 PolarHBondContact O-N 3.09Å; Y80-L104 VanDerWaalsContact O-CD2 3.23Å; Y80-L104 WeakPolarHBondContact O-CD2 3.32Å
81	C	87.8	Confident	91.8	Very high	56 Å²	56	41 Å²	41	38%	0.378	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-12.2	-168.8	-56.3	0	0	0	0	115	R79	R79-C81 PolarHBondContact O-N 3.3Å
82	K	89.9	Confident	91.9	Very high	76 Å²	76	40.9 Å²	40.9	33%	0.33	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-3	177.9	-59.4	-173	-157.4	167	0	114.3	D57 D58 A59 L60 Y80 V84	D57-K82 WeakPolarHBondContact O-CD 3.45Å; D57-K82 WeakPolarHBondContact O-CE 3.41Å; D57-K82 VanDerWaalsContact O-CG 3.32Å; D57-K82 WeakPolarHBondContact O-CG 3.3Å; D58-K82 IonicContact OD1-NZ 2.77Å; D58-K82 PolarHBondContact OD1-NZ 2.92Å; A59-K82 CarbonylContact O-C 3.22Å; L60-K82 HydrophobicContact CD2-CB 4.05Å; L60-K82 WeakPolarHBondContact CD2-O 3.43Å; Y80-K82 PolarHBondContact O-N 3.13Å; K82-V84 PolarHBondContact O-N 2.91Å
83	L	92.4	Very high	92	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.216	C	C	.	.			trans	-56.5	134.5	-179.8	-79.6	175.7	0	0	0	112.4	A59 L62 Y80 L104 R106 L107	A59-L83 HydrophobicContact CB-CD2 4.47Å; A59-L83 WeakPolarHBondContact O-CD2 3.4Å; A59-L83 PolarHBondContact O-N 3.3Å; L62-L83 HydrophobicContact CB-CD1 4.07Å; L62-L83 HydrophobicContact CB-CD2 3.65Å; L62-L83 HydrophobicContact CD2-CD1 4.19Å; Y80-L83 HydrophobicContact CD1-CD1 4.29Å; Y80-L83 HydrophobicContact CD1-CG 4.48Å; Y80-L83 HydrophobicContact CG-CD1 4.14Å; Y80-L83 PolarHBondContact O-N 3.09Å; L83-L104 HydrophobicContact CB-CD2 4.44Å; L83-L104 HydrophobicContact CD1-CD2 4.25Å; L83-R106 CarbonylContact O-C 3.52Å; L83-L107 HydrophobicContact CB-CD1 3.91Å; L83-L107 WeakPolarHBondContact O-CA 3.37Å; L83-L107 PolarHBondContact O-N 3.34Å
84	V	94.3	Very high	92.1	Very high	37 Å²	37	40.9 Å²	40.9	22%	0.224	22%	0.221	C	C	.	.	S	Bend	trans	-106.8	-37.8	172.9	-178.8	0	0	0	0	110	L60 K82 E108 E109	L60-V84 PolarHBondContact O-N 3.2Å; K82-V84 PolarHBondContact O-N 2.91Å; V84-E108 HydrophobicContact CG1-CB 3.9Å; V84-E108 HydrophobicContact CG1-CG 4.09Å; V84-E108 PolarHBondContact O-N 2.95Å; V84-E109 PolarHBondContact O-N 3.49Å
85	R	94.3	Very high	92.2	Very high	94 Å²	94	41.1 Å²	41.1	36%	0.355	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	124.8	179.5	174.5	-179.8	-76.1	143.9	1.6	111.7	L60 I61 L62 E109 Y111	L60-R85 PolarHBondContact O-N 2.98Å; L60-R85 VanDerWaalsContact O-N 3.13Å; I61-R85 WeakPolarHBondContact CA-O 3.33Å; I61-R85 HydrophobicContact CG1-CB 4.22Å; I61-R85 HydrophobicContact CG2-CB 4.2Å; I61-R85 HydrophobicContact CG2-CG 4.15Å; L62-R85 PolarHBondContact N-O 2.82Å; R85-E109 WeakPolarHBondContact CA-O 3.41Å; R85-E109 HydrophobicContact CB-CB 4.47Å; R85-E109 HydrophobicContact CG-CB 4.42Å; R85-E109 IonicContact CZ-OE1 2.69Å; R85-E109 IonicContact CZ-OE2 3.15Å; R85-E109 IonicContact NE-OE2 3.33Å; R85-E109 PolarHBondContact NE-OE2 3.13Å; R85-E109 IonicContact NH2-OE1 2.67Å; R85-E109 PolarHBondContact NH2-OE1 3Å; R85-E109 IonicContact NH2-OE2 3.17Å; R85-E109 PolarHBondContact NH2-OE2 3.03Å; R85-Y111 HydrophobicContact CG-CE2 4.29Å
86	L	95.7	Very high	92.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	116.7	175	176.6	56.2	0	0	0	110.4	L62 F77 L88 F101 L104 L107 E109 L110 Y111	L62-L86 HydrophobicContact CB-CD1 4.01Å; L62-L86 HydrophobicContact CD2-CD1 3.94Å; L62-L86 HydrophobicContact CG-CD1 3.83Å; F77-L86 HydrophobicContact CD1-CD2 4.26Å; F77-L86 HydrophobicContact CD2-CD2 4.21Å; F77-L86 HydrophobicContact CE1-CD1 3.87Å; F77-L86 HydrophobicContact CE1-CD2 4.1Å; F77-L86 HydrophobicContact CE2-CD2 4.01Å; F77-L86 HydrophobicContact CG-CD2 4.34Å; F77-L86 HydrophobicContact CZ-CD1 4.11Å; F77-L86 HydrophobicContact CZ-CD2 3.98Å; L86-L88 HydrophobicContact CD1-CD1 4.27Å; L86-L88 HydrophobicContact CD1-CG 4.17Å; L86-L88 HydrophobicContact CD2-CD1 4.05Å; L86-L88 HydrophobicContact CG-CD1 4.04Å; L86-L88 HydrophobicContact CG-CG 4.3Å; L86-F101 HydrophobicContact CD2-CD1 4.34Å; L86-F101 HydrophobicContact CD2-CE1 4.05Å; L86-L104 HydrophobicContact CD2-CD1 3.9Å; L86-L107 HydrophobicContact CB-CD1 3.82Å; L86-L107 HydrophobicContact CB-CD2 4.35Å; L86-E109 PolarHBondContact N-O 2.81Å; L86-L110 HydrophobicContact CB-CD1 4.13Å; L86-L110 HydrophobicContact CD2-CD1 3.96Å; L86-L110 HydrophobicContact CG-CD1 4.01Å; L86-Y111 PolarHBondContact O-N 2.92Å
87	N	94.3	Very high	92.7	Very high	18 Å²	18	39.7 Å²	39.7	10%	0.096	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	119.9	176.2	-172.5	-23.1	0	0	0	111.4	L62 L64 Q89 Y111	L62-N87 PolarHBondContact O-N 2.82Å; L64-N87 WeakPolarHBondContact CA-O 3.45Å; L64-N87 PolarHBondContact N-O 3.39Å; N87-Q89 PolarHBondContact ND2-OE1 3.14Å; N87-Q89 WeakPolarHBondContact OD1-CB 3.35Å; N87-Q89 WeakPolarHBondContact OD1-CG 3.45Å; N87-Q89 PolarHBondContact OD1-N 2.91Å; N87-Y111 HydrophobicContact CB-CD2 4.35Å
88	L	95.6	Very high	92.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.226	C	C	.	.			trans	-125.5	19	178.6	-73.4	161.9	0	0	0	111.8	L64 I69 F77 L86 N91 I93 Y111 L112 N115	L64-L88 HydrophobicContact CB-CD2 3.8Å; L64-L88 HydrophobicContact CD1-CD2 3.86Å; L64-L88 HydrophobicContact CG-CD2 4.48Å; I69-L88 HydrophobicContact CD1-CD2 4.29Å; F77-L88 HydrophobicContact CE2-CD1 3.99Å; F77-L88 HydrophobicContact CZ-CD1 3.82Å; F77-L88 HydrophobicContact CZ-CD2 4.09Å; F77-L88 HydrophobicContact CZ-CG 4.42Å; L86-L88 HydrophobicContact CD1-CD1 4.27Å; L86-L88 HydrophobicContact CD1-CG 4.17Å; L86-L88 HydrophobicContact CD2-CD1 4.05Å; L86-L88 HydrophobicContact CG-CD1 4.04Å; L86-L88 HydrophobicContact CG-CG 4.3Å; L88-N91 PolarHBondContact O-ND2 3.01Å; L88-I93 HydrophobicContact CB-CD1 3.98Å; L88-I93 HydrophobicContact CD2-CD1 4.24Å; L88-I93 HydrophobicContact CG-CD1 4.49Å; L88-Y111 CarbonylContact C-O 3.46Å; L88-Y111 WeakPolarHBondContact CA-O 3.24Å; L88-Y111 PolarHBondContact N-O 3.25Å; L88-L112 HydrophobicContact CB-CD2 3.96Å; L88-L112 HydrophobicContact CD1-CD2 3.82Å; L88-N115 PolarHBondContact O-ND2 3.23Å
89	Q	92.8	Very high	93	Very high	25 Å²	25	46.3 Å²	46.3	12%	0.117	23%	0.233	C	C	.	.			trans	-66.7	161.8	-177.1	-65.4	178.5	-58.4	0	0	113	G65 G66 N87 N91 G113	G65-Q89 CarbonylContact C-O 3.44Å; G65-Q89 WeakPolarHBondContact CA-O 3.48Å; G66-Q89 PolarHBondContact N-O 3.25Å; N87-Q89 PolarHBondContact ND2-OE1 3.14Å; N87-Q89 WeakPolarHBondContact OD1-CB 3.35Å; N87-Q89 WeakPolarHBondContact OD1-CG 3.45Å; N87-Q89 PolarHBondContact OD1-N 2.91Å; Q89-N91 VanDerWaalsContact C-N 3.32Å; Q89-N91 PolarHBondContact O-N 2.81Å; Q89-N91 PolarHBondContact O-ND2 2.9Å; Q89-G113 WeakPolarHBondContact CA-O 3.34Å; Q89-G113 VanDerWaalsContact CB-O 3.29Å; Q89-G113 WeakPolarHBondContact CB-O 3.37Å
90	Y	92.6	Very high	93.5	Very high	48 Å²	48	39.7 Å²	39.7	19%	0.188	21%	0.209	C	C	.	.	S	Bend	trans	51.8	53	176.7	-56.7	-83.1	0	0	0	111.2	G66 N67 G113 H114 C572 V669	G66-Y90 CarbonylContact C-O 3.45Å; G66-Y90 WeakPolarHBondContact CA-O 3.45Å; G66-Y90 PolarHBondContact N-O 2.96Å; N67-Y90 PolarHBondContact N-O 3.03Å; Y90-G113 PolarHBondContact N-O 3.41Å; Y90-H114 VanDerWaalsContact CA-O 3.28Å; Y90-H114 WeakPolarHBondContact CA-O 3.24Å; Y90-H114 HydrophobicContact CD1-CB 3.67Å; Y90-H114 AromaticContact CD1-CD2 3.88Å; Y90-H114 AromaticContact CD1-CG 3.82Å; Y90-H114 HydrophobicContact CE1-CB 3.95Å; Y90-H114 AromaticContact CE1-CD2 3.29Å; Y90-H114 WeakPolarHBondContact CE1-CD2 3.26Å; Y90-H114 AromaticContact CE1-CG 3.53Å; Y90-H114 AromaticContact CE1-NE2 3.83Å; Y90-H114 AromaticContact CE2-CD2 3.74Å; Y90-H114 HydrophobicContact CG-CB 4.11Å; Y90-H114 AromaticContact CZ-CD2 3.22Å; Y90-H114 AromaticContact CZ-CG 3.96Å; Y90-H114 AromaticContact CZ-NE2 3.63Å; Y90-H114 PolarHBondContact N-O 2.86Å; Y90-H114 VanDerWaalsContact N-O 3.13Å; Y90-H114 PolarHBondContact OH-CD2 2.98Å; Y90-H114 PolarHBondContact OH-NE2 3.29Å; Y90-C572 HydrophobicContact CE2-CB 4.36Å; Y90-V669 HydrophobicContact CD2-CG2 4.21Å
91	N	93.7	Very high	93.8	Very high	12 Å²	12	39.5 Å²	39.5	6%	0.064	21%	0.208	C	C	.	.	S	Bend	trans	-125.9	-169.8	176.1	-89.6	-91.6	0	0	0	109.2	L64 N67 I69 L88 Q89 I93 H114 N115	L64-N91 PolarHBondContact O-ND2 2.88Å; N67-N91 WeakPolarHBondContact CA-OD1 3.2Å; N67-N91 WeakPolarHBondContact CB-OD1 3.47Å; N67-N91 WeakPolarHBondContact O-CA 3.47Å; N67-N91 PolarHBondContact O-OD1 2.9Å; I69-N91 VanDerWaalsContact CB-OD1 3.28Å; I69-N91 WeakPolarHBondContact CB-OD1 3.22Å; I69-N91 WeakPolarHBondContact CG1-OD1 3.48Å; I69-N91 PolarHBondContact N-OD1 3.32Å; L88-N91 PolarHBondContact O-ND2 3.01Å; Q89-N91 VanDerWaalsContact C-N 3.32Å; Q89-N91 PolarHBondContact O-N 2.81Å; Q89-N91 PolarHBondContact O-ND2 2.9Å; N91-I93 HydrophobicContact CB-CD1 4.21Å; N91-I93 HydrophobicContact CB-CG1 3.99Å; N91-H114 PolarHBondContact N-O 3.04Å; N91-N115 WeakPolarHBondContact CA-OD1 3.46Å; N91-N115 WeakPolarHBondContact CB-OD1 3.48Å; N91-N115 PolarHBondContact O-OD1 3.07Å
92	Q	96.1	Very high	94	Very high	87 Å²	87	40.2 Å²	40.2	41%	0.407	21%	0.206	S	C	.	.			trans	-114.8	26.3	-179.1	-63.9	-178	-13.5	0	0	111.3	I69 T70 A94 N115 L116	I69-Q92 CarbonylContact O-C 3.45Å; I69-Q92 WeakPolarHBondContact O-CA 3.38Å; I69-Q92 PolarHBondContact O-N 3.28Å; T70-Q92 WeakPolarHBondContact CA-O 3.37Å; T70-Q92 HydrophobicContact CG2-CB 4.14Å; Q92-A94 PolarHBondContact O-N 2.6Å; Q92-N115 PolarHBondContact N-OD1 3.17Å; Q92-L116 HydrophobicContact CB-CD1 4.18Å
93	I	96.7	Very high	94.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.211	C	C	.	.			trans	-68.7	110.4	-168.8	-54.7	168.9	0	0	0	109.3	I69 T70 V72 L88 N91 I96 N115 L116 L117	I69-I93 HydrophobicContact CB-CG1 4.36Å; I69-I93 HydrophobicContact CG2-CG1 4.2Å; I69-I93 VanDerWaalsContact O-CG1 3.31Å; I69-I93 WeakPolarHBondContact O-CG1 3.27Å; I69-I93 PolarHBondContact O-N 2.83Å; I69-I93 VanDerWaalsContact O-N 3.09Å; T70-I93 WeakPolarHBondContact O-CA 3.35Å; V72-I93 HydrophobicContact CG2-CD1 4Å; V72-I93 HydrophobicContact CG2-CG1 4.47Å; V72-I93 HydrophobicContact CG2-CG2 4.03Å; L88-I93 HydrophobicContact CB-CD1 3.98Å; L88-I93 HydrophobicContact CD2-CD1 4.24Å; L88-I93 HydrophobicContact CG-CD1 4.49Å; N91-I93 HydrophobicContact CB-CD1 4.21Å; N91-I93 HydrophobicContact CB-CG1 3.99Å; I93-I96 HydrophobicContact CG2-CG1 3.87Å; I93-N115 HydrophobicContact CB-CB 4.35Å; I93-N115 VanDerWaalsContact CB-OD1 3.3Å; I93-N115 WeakPolarHBondContact CB-OD1 3.42Å; I93-N115 VanDerWaalsContact CG1-OD1 3.27Å; I93-N115 WeakPolarHBondContact CG1-OD1 3.49Å; I93-N115 PolarHBondContact N-OD1 3.32Å; I93-L116 CarbonylContact O-C 3.04Å; I93-L116 VanDerWaalsContact O-C 3.24Å; I93-L116 WeakPolarHBondContact O-CA 3.25Å; I93-L116 PolarHBondContact O-N 3.49Å; I93-L117 HydrophobicContact CB-CD2 4.4Å; I93-L117 HydrophobicContact CG2-CD2 3.81Å; I93-L117 WeakPolarHBondContact O-CD2 3.35Å; I93-L117 PolarHBondContact O-N 3.23Å; I93-L117 VanDerWaalsContact O-N 3.17Å
94	A	95.3	Very high	94.2	Very high	47 Å²	47	41.4 Å²	41.4	39%	0.388	21%	0.211	S	C	.	.			trans	-95.7	-32.9	178.6	0	0	0	0	0	112.2	T70 Q92 L116	T70-A94 PolarHBondContact O-N 3.28Å; Q92-A94 PolarHBondContact O-N 2.6Å; A94-L116 HydrophobicContact CB-CB 4.29Å
95	A	94.5	Very high	94	Very high	50 Å²	50	42.8 Å²	42.8	41%	0.413	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	143.4	176.8	0	0	0	0	0	113.1	N71 V72	N71-A95 WeakPolarHBondContact CA-O 3.34Å; N71-A95 WeakPolarHBondContact OD1-CB 3.31Å; V72-A95 PolarHBondContact N-O 3.2Å
96	I	95.5	Very high	94.1	Very high	13 Å²	13	44.1 Å²	44.1	7%	0.067	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	131.7	172.2	-64.5	168.9	0	0	0	107.1	V72 I93 A100 F101 L112 L117 P121	V72-I96 HydrophobicContact CB-CG1 4.22Å; V72-I96 HydrophobicContact CB-CG2 4.4Å; V72-I96 HydrophobicContact CG2-CG1 4.31Å; I93-I96 HydrophobicContact CG2-CG1 3.87Å; I96-A100 HydrophobicContact CG2-CB 3.72Å; I96-F101 HydrophobicContact CD1-CE2 4.39Å; I96-F101 HydrophobicContact CD1-CZ 4.29Å; I96-F101 HydrophobicContact CG2-CE2 3.87Å; I96-F101 HydrophobicContact CG2-CZ 4.07Å; I96-L112 HydrophobicContact CD1-CD1 3.71Å; I96-L112 HydrophobicContact CD1-CD2 3.95Å; I96-L112 HydrophobicContact CD1-CG 4.5Å; I96-L117 HydrophobicContact CD1-CD1 3.86Å; I96-L117 HydrophobicContact CD1-CD2 3.69Å; I96-L117 HydrophobicContact CD1-CG 4.46Å; I96-L117 HydrophobicContact CG1-CD2 3.8Å; I96-P121 HydrophobicContact CB-CG 4.42Å; I96-P121 WeakPolarHBondContact O-CG 3.38Å
97	H	94.6	Very high	94.1	Very high	81 Å²	81	44.1 Å²	44.1	38%	0.375	23%	0.228	S	C	.	.			trans	-68.5	138.2	174.9	-173.7	-96.9	0	0	0	110.9	V72 A74 K99 A100	V72-H97 WeakPolarHBondContact O-CB 3.3Å; V72-H97 PolarHBondContact O-N 3.42Å; A74-H97 WeakPolarHBondContact CB-ND1 3.39Å; H97-K99 PolarHBondContact ND1-N 2.85Å; H97-K99 VanDerWaalsContact ND1-N 3.19Å; H97-K99 PolarHBondContact O-N 3.1Å; H97-A100 HydrophobicContact CB-CB 4.44Å; H97-A100 WeakPolarHBondContact O-CB 3.23Å; H97-A100 PolarHBondContact O-N 2.87Å
98	P	92.4	Very high	94.2	Very high	68 Å²	68	47 Å²	47	44%	0.442	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-20.5	-177.3	-27	34.2	0	0	0	115.8	P121 S124	P98-P121 HydrophobicContact CB-CB 4.34Å; P98-P121 HydrophobicContact CG-CB 4.01Å; P98-S124 WeakPolarHBondContact O-CA 3.36Å
99	K	93.3	Very high	94.3	Very high	114 Å²	114	48.9 Å²	48.9	50%	0.496	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	5	176.1	-64.9	174.3	160.7	-85.8	0	114.6	H97 F101 E102	H97-K99 PolarHBondContact ND1-N 2.85Å; H97-K99 VanDerWaalsContact ND1-N 3.19Å; H97-K99 PolarHBondContact O-N 3.1Å; K99-F101 PolarHBondContact O-N 3.24Å; K99-E102 HydrophobicContact CB-CB 4.34Å; K99-E102 WeakPolarHBondContact CD-OE2 3.49Å; K99-E102 WeakPolarHBondContact CG-OE2 3.49Å; K99-E102 IonicContact NZ-OE2 3.56Å; K99-E102 PolarHBondContact NZ-OE2 3.08Å; K99-E102 VanDerWaalsContact O-CB 3.29Å; K99-E102 WeakPolarHBondContact O-CB 3.44Å; K99-E102 PolarHBondContact O-N 3.08Å; K99-E102 VanDerWaalsContact O-N 3.12Å
100	A	93.8	Very high	94.5	Very high	3 Å²	3	47.7 Å²	47.7	3%	0.025	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-36.5	-174.4	0	0	0	0	0	114	V72 S73 I96 H97	V72-A100 HydrophobicContact CG1-CB 3.67Å; S73-A100 WeakPolarHBondContact O-CA 3.44Å; S73-A100 WeakPolarHBondContact O-CB 3.4Å; I96-A100 HydrophobicContact CG2-CB 3.72Å; H97-A100 HydrophobicContact CB-CB 4.44Å; H97-A100 WeakPolarHBondContact O-CB 3.23Å; H97-A100 PolarHBondContact O-N 2.87Å
101	F	94.6	Very high	94.7	Very high	1 Å²	1	47.2 Å²	47.2	0%	0.004	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	8.6	-178.2	-47.4	-54.3	0	0	0	113.5	F77 L86 I96 K99 K103 L104 L110 L112 L125 S127 L128	F77-F101 AromaticContact CD2-CD1 3.91Å; F77-F101 HydrophobicContact CD2-CD1 3.91Å; F77-F101 AromaticContact CD2-CE1 3.82Å; F77-F101 HydrophobicContact CD2-CE1 3.82Å; F77-F101 HydrophobicContact CE2-CD1 4.36Å; F77-F101 AromaticContact CE2-CE1 3.8Å; F77-F101 HydrophobicContact CE2-CE1 3.8Å; L86-F101 HydrophobicContact CD2-CD1 4.34Å; L86-F101 HydrophobicContact CD2-CE1 4.05Å; I96-F101 HydrophobicContact CD1-CE2 4.39Å; I96-F101 HydrophobicContact CD1-CZ 4.29Å; I96-F101 HydrophobicContact CG2-CE2 3.87Å; I96-F101 HydrophobicContact CG2-CZ 4.07Å; K99-F101 PolarHBondContact O-N 3.24Å; F101-K103 PolarHBondContact O-N 2.92Å; F101-L104 HydrophobicContact CB-CD1 4.19Å; F101-L104 HydrophobicContact CD1-CD1 3.85Å; F101-L104 HydrophobicContact CG-CD1 4.46Å; F101-L104 WeakPolarHBondContact O-CB 3.37Å; F101-L104 PolarHBondContact O-N 2.95Å; F101-L110 HydrophobicContact CD2-CD2 4.23Å; F101-L110 HydrophobicContact CE1-CD1 4.45Å; F101-L110 HydrophobicContact CE2-CD2 4Å; F101-L110 HydrophobicContact CZ-CD1 4.4Å; F101-L110 HydrophobicContact CZ-CD2 4.24Å; F101-L112 HydrophobicContact CE2-CD1 4.45Å; F101-L112 HydrophobicContact CZ-CD1 4.41Å; F101-L112 HydrophobicContact CZ-CD2 4.46Å; F101-L125 HydrophobicContact CD2-CD2 4.14Å; F101-L125 HydrophobicContact CE2-CD2 4.32Å; F101-S127 PolarHBondContact O-OG 3.16Å; F101-L128 HydrophobicContact CB-CD1 4.21Å; F101-L128 HydrophobicContact CB-CD2 4.01Å; F101-L128 HydrophobicContact CB-CG 4.47Å
102	E	92.8	Very high	94.9	Very high	70 Å²	70	46.7 Å²	46.7	33%	0.327	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-28	-170.7	-167.5	-167	108	0	0	114.3	K99 S127	K99-E102 HydrophobicContact CB-CB 4.34Å; K99-E102 WeakPolarHBondContact CD-OE2 3.49Å; K99-E102 WeakPolarHBondContact CG-OE2 3.49Å; K99-E102 IonicContact NZ-OE2 3.56Å; K99-E102 PolarHBondContact NZ-OE2 3.08Å; K99-E102 VanDerWaalsContact O-CB 3.29Å; K99-E102 WeakPolarHBondContact O-CB 3.44Å; K99-E102 PolarHBondContact O-N 3.08Å; K99-E102 VanDerWaalsContact O-N 3.12Å; E102-S127 WeakPolarHBondContact CA-OG 3.36Å
103	K	91.1	Very high	94.8	Very high	100 Å²	100	42.5 Å²	42.5	44%	0.435	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-1	-178.7	-54.9	-47.6	-172.2	-159.6	0	114.4	F101 S105	F101-K103 PolarHBondContact O-N 2.92Å; K103-S105 VanDerWaalsContact C-N 3.28Å; K103-S105 PolarHBondContact O-N 3.48Å
104	L	93.5	Very high	94.7	Very high	1 Å²	1	44 Å²	44	1%	0.005	23%	0.226	C	C	.	.			trans	-90.7	44.1	-174.2	-55.5	-173.4	0	0	0	112.6	F77 Y80 L83 L86 F101 R106 L107 L128	F77-L104 HydrophobicContact CB-CD1 4.01Å; F77-L104 HydrophobicContact CB-CD2 4.18Å; F77-L104 HydrophobicContact CB-CG 4.32Å; F77-L104 HydrophobicContact CG-CD1 4.35Å; Y80-L104 VanDerWaalsContact O-CD2 3.23Å; Y80-L104 WeakPolarHBondContact O-CD2 3.32Å; L83-L104 HydrophobicContact CB-CD2 4.44Å; L83-L104 HydrophobicContact CD1-CD2 4.25Å; L86-L104 HydrophobicContact CD2-CD1 3.9Å; F101-L104 HydrophobicContact CB-CD1 4.19Å; F101-L104 HydrophobicContact CD1-CD1 3.85Å; F101-L104 HydrophobicContact CG-CD1 4.46Å; F101-L104 WeakPolarHBondContact O-CB 3.37Å; F101-L104 PolarHBondContact O-N 2.95Å; L104-R106 PolarHBondContact O-N 3.17Å; L104-L107 HydrophobicContact CB-CB 4.12Å; L104-L107 HydrophobicContact CB-CD2 4.48Å; L104-L107 HydrophobicContact CD1-CD2 4.24Å; L104-L107 VanDerWaalsContact O-CB 3.23Å; L104-L107 WeakPolarHBondContact O-CB 3.3Å; L104-L107 PolarHBondContact O-N 2.85Å; L104-L128 HydrophobicContact CB-CD2 3.78Å; L104-L128 VanDerWaalsContact O-CD2 3.26Å; L104-L128 WeakPolarHBondContact O-CD2 3.5Å
105	S	91.9	Very high	94.7	Very high	67 Å²	67	42.2 Å²	42.2	47%	0.469	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-10.9	-175.3	59.6	0	0	0	0	115	K103	K103-S105 VanDerWaalsContact C-N 3.28Å; K103-S105 PolarHBondContact O-N 3.48Å
106	R	94.8	Very high	94.8	Very high	122 Å²	122	44.5 Å²	44.5	46%	0.46	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-0.8	174.3	-69.4	-173.8	59.6	158.9	1.7	114.4	L83 L104 E108	L83-R106 CarbonylContact O-C 3.52Å; L104-R106 PolarHBondContact O-N 3.17Å; R106-E108 PolarHBondContact O-N 2.92Å
107	L	96.7	Very high	94.9	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.212	C	C	.	.			trans	-72.4	123.2	-174.2	-161	75.3	0	0	0	111.3	L83 L86 L104 L110 L128 K130 L131	L83-L107 HydrophobicContact CB-CD1 3.91Å; L83-L107 WeakPolarHBondContact O-CA 3.37Å; L83-L107 PolarHBondContact O-N 3.34Å; L86-L107 HydrophobicContact CB-CD1 3.82Å; L86-L107 HydrophobicContact CB-CD2 4.35Å; L104-L107 HydrophobicContact CB-CB 4.12Å; L104-L107 HydrophobicContact CB-CD2 4.48Å; L104-L107 HydrophobicContact CD1-CD2 4.24Å; L104-L107 VanDerWaalsContact O-CB 3.23Å; L104-L107 WeakPolarHBondContact O-CB 3.3Å; L104-L107 PolarHBondContact O-N 2.85Å; L107-L110 HydrophobicContact CD2-CB 3.87Å; L107-L110 HydrophobicContact CD2-CD1 4.28Å; L107-L110 HydrophobicContact CD2-CD2 4.34Å; L107-L110 HydrophobicContact CD2-CG 4.39Å; L107-L128 HydrophobicContact CB-CD2 4.28Å; L107-L128 HydrophobicContact CD2-CD1 4.29Å; L107-L128 HydrophobicContact CD2-CD2 4.38Å; L107-K130 CarbonylContact O-C 3.56Å; L107-K130 VanDerWaalsContact O-C 3.31Å; L107-L131 HydrophobicContact CD2-CD1 4.38Å; L107-L131 HydrophobicContact CG-CD1 4.46Å; L107-L131 WeakPolarHBondContact O-CA 3.06Å; L107-L131 PolarHBondContact O-N 2.93Å; L107-L131 VanDerWaalsContact O-N 3.17Å
108	E	96.7	Very high	94.9	Very high	78 Å²	78	44.3 Å²	44.3	36%	0.364	22%	0.22	S	C	.	.			trans	-104.5	-24.5	179.3	-68.6	173	-169.9	0	0	111.3	V84 R106 K130 S132 T133	V84-E108 HydrophobicContact CG1-CB 3.9Å; V84-E108 HydrophobicContact CG1-CG 4.09Å; V84-E108 PolarHBondContact O-N 2.95Å; R106-E108 PolarHBondContact O-N 2.92Å; E108-K130 HydrophobicContact CG-CB 4.02Å; E108-S132 WeakPolarHBondContact O-CA 3.38Å; E108-S132 PolarHBondContact O-N 3.34Å; E108-T133 PolarHBondContact O-N 2.89Å
109	E	97.1	Very high	95	Very high	40 Å²	40	43.7 Å²	43.7	19%	0.187	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	127.9	178.4	-56.1	-175.9	179.9	0	0	113.2	V84 R85 L86 Y111 T133	V84-E109 PolarHBondContact O-N 3.49Å; R85-E109 WeakPolarHBondContact CA-O 3.41Å; R85-E109 HydrophobicContact CB-CB 4.47Å; R85-E109 HydrophobicContact CG-CB 4.42Å; R85-E109 IonicContact CZ-OE1 2.69Å; R85-E109 IonicContact CZ-OE2 3.15Å; R85-E109 IonicContact NE-OE2 3.33Å; R85-E109 PolarHBondContact NE-OE2 3.13Å; R85-E109 IonicContact NH2-OE1 2.67Å; R85-E109 PolarHBondContact NH2-OE1 3Å; R85-E109 IonicContact NH2-OE2 3.17Å; R85-E109 PolarHBondContact NH2-OE2 3.03Å; L86-E109 PolarHBondContact N-O 2.81Å; E109-Y111 HydrophobicContact CB-CE2 3.79Å; E109-Y111 WeakPolarHBondContact OE2-CE2 3.35Å; E109-Y111 PolarHBondContact OE2-OH 2.94Å; E109-T133 WeakPolarHBondContact CA-O 3.09Å
110	L	97.5	Very high	95	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	120.9	177.6	178.4	55.3	0	0	0	110.9	L86 F101 L107 L112 L125 L128 L131 T133 F134 Y135	L86-L110 HydrophobicContact CB-CD1 4.13Å; L86-L110 HydrophobicContact CD2-CD1 3.96Å; L86-L110 HydrophobicContact CG-CD1 4.01Å; F101-L110 HydrophobicContact CD2-CD2 4.23Å; F101-L110 HydrophobicContact CE1-CD1 4.45Å; F101-L110 HydrophobicContact CE2-CD2 4Å; F101-L110 HydrophobicContact CZ-CD1 4.4Å; F101-L110 HydrophobicContact CZ-CD2 4.24Å; L107-L110 HydrophobicContact CD2-CB 3.87Å; L107-L110 HydrophobicContact CD2-CD1 4.28Å; L107-L110 HydrophobicContact CD2-CD2 4.34Å; L107-L110 HydrophobicContact CD2-CG 4.39Å; L110-L112 HydrophobicContact CD1-CG 4.26Å; L110-L112 HydrophobicContact CD2-CD1 4.34Å; L110-L112 HydrophobicContact CG-CD1 4.39Å; L110-L112 HydrophobicContact CG-CG 4.3Å; L110-L125 HydrophobicContact CD2-CD2 3.79Å; L110-L128 HydrophobicContact CD2-CD1 3.96Å; L110-L131 HydrophobicContact CB-CD1 3.77Å; L110-T133 PolarHBondContact N-O 2.03Å; L110-F134 HydrophobicContact CB-CD2 4.12Å; L110-F134 HydrophobicContact CD2-CD2 3.94Å; L110-F134 HydrophobicContact CD2-CE2 3.79Å; L110-F134 HydrophobicContact CG-CD2 4.06Å; L110-F134 HydrophobicContact CG-CE2 4.09Å; L110-F134 WeakPolarHBondContact O-CA 3.39Å; L110-Y135 PolarHBondContact O-N 2.85Å
111	Y	97.3	Very high	94.9	Very high	37 Å²	37	40 Å²	40	15%	0.145	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	111.7	179.9	-55.6	-96	0	0	0	111.4	R85 L86 N87 L88 E109 T133 Y135	R85-Y111 HydrophobicContact CG-CE2 4.29Å; L86-Y111 PolarHBondContact O-N 2.92Å; N87-Y111 HydrophobicContact CB-CD2 4.35Å; L88-Y111 CarbonylContact C-O 3.46Å; L88-Y111 WeakPolarHBondContact CA-O 3.24Å; L88-Y111 PolarHBondContact N-O 3.25Å; E109-Y111 HydrophobicContact CB-CE2 3.79Å; E109-Y111 WeakPolarHBondContact OE2-CE2 3.35Å; E109-Y111 PolarHBondContact OE2-OH 2.94Å; Y111-T133 HydrophobicContact CE1-CG2 4.44Å; Y111-Y135 AromaticContact CD1-CD2 3.48Å; Y111-Y135 HydrophobicContact CD1-CD2 3.48Å; Y111-Y135 VanDerWaalsContact CD1-CD2 3.48Å; Y111-Y135 HydrophobicContact CD1-CE2 4.15Å; Y111-Y135 AromaticContact CD1-CG 3.8Å; Y111-Y135 HydrophobicContact CD1-CG 3.8Å; Y111-Y135 AromaticContact CE1-CD2 3.52Å; Y111-Y135 HydrophobicContact CE1-CD2 3.52Å; Y111-Y135 AromaticContact CE1-CE2 3.71Å; Y111-Y135 HydrophobicContact CE1-CE2 3.71Å; Y111-Y135 HydrophobicContact CE1-CG 4.01Å
112	L	96.4	Very high	94.6	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	23%	0.226	C	C	.	.			trans	-116.6	5.4	176.9	-69.1	170.8	0	0	0	112.7	L88 I96 F101 L110 N115 L117 F134 Y135 N139	L88-L112 HydrophobicContact CB-CD2 3.96Å; L88-L112 HydrophobicContact CD1-CD2 3.82Å; I96-L112 HydrophobicContact CD1-CD1 3.71Å; I96-L112 HydrophobicContact CD1-CD2 3.95Å; I96-L112 HydrophobicContact CD1-CG 4.5Å; F101-L112 HydrophobicContact CE2-CD1 4.45Å; F101-L112 HydrophobicContact CZ-CD1 4.41Å; F101-L112 HydrophobicContact CZ-CD2 4.46Å; L110-L112 HydrophobicContact CD1-CG 4.26Å; L110-L112 HydrophobicContact CD2-CD1 4.34Å; L110-L112 HydrophobicContact CG-CD1 4.39Å; L110-L112 HydrophobicContact CG-CG 4.3Å; L112-N115 WeakPolarHBondContact O-CB 3.34Å; L112-N115 PolarHBondContact O-ND2 2.04Å; L112-L117 HydrophobicContact CB-CD1 4.21Å; L112-L117 HydrophobicContact CD1-CD1 4.28Å; L112-F134 HydrophobicContact CD1-CE2 3.86Å; L112-F134 HydrophobicContact CD1-CZ 4.06Å; L112-Y135 CarbonylContact C-O 3.52Å; L112-Y135 WeakPolarHBondContact CA-O 3.13Å; L112-Y135 PolarHBondContact N-O 3.01Å; L112-N139 PolarHBondContact O-ND2 2.81Å; L112-N139 VanDerWaalsContact O-ND2 3.09Å
113	G	94.3	Very high	94.2	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.221	C	C	.	.			trans	-62.7	153	-176.5	0	0	0	0	0	115.4	Q89 Y90 Y135 N137	Q89-G113 WeakPolarHBondContact CA-O 3.34Å; Q89-G113 VanDerWaalsContact CB-O 3.29Å; Q89-G113 WeakPolarHBondContact CB-O 3.37Å; Y90-G113 PolarHBondContact N-O 3.41Å; G113-Y135 PolarHBondContact N-O 3.3Å; G113-Y135 VanDerWaalsContact N-O 3.07Å; G113-N137 CarbonylContact C-O 3.1Å; G113-N137 WeakPolarHBondContact CA-O 3.19Å; G113-N137 WeakPolarHBondContact CA-OD1 3.02Å
114	H	93.9	Very high	94.2	Very high	31 Å²	31	35.4 Å²	35.4	14%	0.144	20%	0.202	C	C	.	.	S	Bend	trans	55.6	66.4	-172	-51.4	-72.8	0	0	0	112.1	Y90 N91 N137 D138	Y90-H114 VanDerWaalsContact CA-O 3.28Å; Y90-H114 WeakPolarHBondContact CA-O 3.24Å; Y90-H114 HydrophobicContact CD1-CB 3.67Å; Y90-H114 AromaticContact CD1-CD2 3.88Å; Y90-H114 AromaticContact CD1-CG 3.82Å; Y90-H114 HydrophobicContact CE1-CB 3.95Å; Y90-H114 AromaticContact CE1-CD2 3.29Å; Y90-H114 WeakPolarHBondContact CE1-CD2 3.26Å; Y90-H114 AromaticContact CE1-CG 3.53Å; Y90-H114 AromaticContact CE1-NE2 3.83Å; Y90-H114 AromaticContact CE2-CD2 3.74Å; Y90-H114 HydrophobicContact CG-CB 4.11Å; Y90-H114 AromaticContact CZ-CD2 3.22Å; Y90-H114 AromaticContact CZ-CG 3.96Å; Y90-H114 AromaticContact CZ-NE2 3.63Å; Y90-H114 PolarHBondContact N-O 2.86Å; Y90-H114 VanDerWaalsContact N-O 3.13Å; Y90-H114 PolarHBondContact OH-CD2 2.98Å; Y90-H114 PolarHBondContact OH-NE2 3.29Å; N91-H114 PolarHBondContact N-O 3.04Å; H114-N137 PolarHBondContact N-O 2.84Å; H114-N137 PolarHBondContact NE2-ND2 3.26Å; H114-D138 WeakPolarHBondContact CA-O 3.49Å; H114-D138 HydrophobicContact CB-CB 4.33Å; H114-D138 IonicContact CE1-OD1 2.91Å; H114-D138 PolarHBondContact CE1-OD1 2.92Å; H114-D138 IonicContact CE1-OD2 3.91Å; H114-D138 PolarHBondContact CE1-OD2 3.04Å; H114-D138 PolarHBondContact N-O 2.8Å; H114-D138 WeakPolarHBondContact ND1-CB 3.49Å; H114-D138 IonicContact ND1-OD1 3.35Å; H114-D138 PolarHBondContact ND1-OD1 2.88Å; H114-D138 IonicContact ND1-OD2 3.75Å; H114-D138 IonicContact NE2-OD2 3.99Å
115	N	96.1	Very high	94.3	Very high	9 Å²	9	35.4 Å²	35.4	5%	0.048	20%	0.202	C	C	.	.	S	Bend	trans	-141.2	-170.1	177.2	-88.3	-74.4	0	0	0	110.1	L88 N91 Q92 I93 L112 L117 D138 N139	L88-N115 PolarHBondContact O-ND2 3.23Å; N91-N115 WeakPolarHBondContact CA-OD1 3.46Å; N91-N115 WeakPolarHBondContact CB-OD1 3.48Å; N91-N115 PolarHBondContact O-OD1 3.07Å; Q92-N115 PolarHBondContact N-OD1 3.17Å; I93-N115 HydrophobicContact CB-CB 4.35Å; I93-N115 VanDerWaalsContact CB-OD1 3.3Å; I93-N115 WeakPolarHBondContact CB-OD1 3.42Å; I93-N115 VanDerWaalsContact CG1-OD1 3.27Å; I93-N115 WeakPolarHBondContact CG1-OD1 3.49Å; I93-N115 PolarHBondContact N-OD1 3.32Å; L112-N115 WeakPolarHBondContact O-CB 3.34Å; L112-N115 PolarHBondContact O-ND2 2.04Å; N115-L117 HydrophobicContact CB-CG 4.42Å; N115-D138 PolarHBondContact N-O 3.09Å; N115-D138 VanDerWaalsContact N-O 3.12Å; N115-N139 WeakPolarHBondContact CA-OD1 3.4Å; N115-N139 WeakPolarHBondContact CB-OD1 3.07Å; N115-N139 PolarHBondContact O-OD1 3.3Å
116	L	96.9	Very high	94.2	Very high	98 Å²	98	36.1 Å²	36.1	51%	0.513	20%	0.198	S	C	.	.			trans	-112.7	21	-174.3	-57.5	178.6	0	0	0	113	Q92 I93 A94 T118 N139	Q92-L116 HydrophobicContact CB-CD1 4.18Å; I93-L116 CarbonylContact O-C 3.04Å; I93-L116 VanDerWaalsContact O-C 3.24Å; I93-L116 WeakPolarHBondContact O-CA 3.25Å; I93-L116 PolarHBondContact O-N 3.49Å; A94-L116 HydrophobicContact CB-CB 4.29Å; L116-T118 PolarHBondContact O-N 2.85Å; L116-N139 PolarHBondContact N-OD1 2.91Å
117	L	96.6	Very high	94.1	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.016	19%	0.185	C	C	.	.			trans	-67	118.7	-173.8	-59.8	171.8	0	0	0	110.9	I93 I96 L112 N115 L120 N139 A140 I141	I93-L117 HydrophobicContact CB-CD2 4.4Å; I93-L117 HydrophobicContact CG2-CD2 3.81Å; I93-L117 WeakPolarHBondContact O-CD2 3.35Å; I93-L117 PolarHBondContact O-N 3.23Å; I93-L117 VanDerWaalsContact O-N 3.17Å; I96-L117 HydrophobicContact CD1-CD1 3.86Å; I96-L117 HydrophobicContact CD1-CD2 3.69Å; I96-L117 HydrophobicContact CD1-CG 4.46Å; I96-L117 HydrophobicContact CG1-CD2 3.8Å; L112-L117 HydrophobicContact CB-CD1 4.21Å; L112-L117 HydrophobicContact CD1-CD1 4.28Å; N115-L117 HydrophobicContact CB-CG 4.42Å; L117-L120 HydrophobicContact CD1-CD2 4.44Å; L117-N139 HydrophobicContact CB-CB 4.37Å; L117-N139 WeakPolarHBondContact CB-OD1 3.28Å; L117-N139 VanDerWaalsContact CG-OD1 3.27Å; L117-N139 WeakPolarHBondContact CG-OD1 3.33Å; L117-N139 PolarHBondContact N-OD1 2.84Å; L117-A140 CarbonylContact O-C 3.58Å; L117-A140 VanDerWaalsContact O-CA 3.24Å; L117-A140 WeakPolarHBondContact O-CA 3.07Å; L117-A140 WeakPolarHBondContact O-CB 3.4Å; L117-A140 PolarHBondContact O-N 2.04Å; L117-I141 HydrophobicContact CB-CG1 4.39Å; L117-I141 WeakPolarHBondContact O-CG1 3.41Å; L117-I141 PolarHBondContact O-N 2.82Å; L117-I141 VanDerWaalsContact O-N 3.09Å
118	T	95.1	Very high	94	Very high	88 Å²	88	31.6 Å²	31.6	54%	0.54	19%	0.185	S	C	.	.	S	Bend	trans	-85.7	-18.8	178.2	55	0	0	0	0	113.9	L116 A140 I141 K142	L116-T118 PolarHBondContact O-N 2.85Å; T118-A140 HydrophobicContact CG2-CB 4.01Å; T118-I141 WeakPolarHBondContact O-CA 3.45Å; T118-K142 PolarHBondContact O-N 2.88Å
119	A	94.4	Very high	93.8	Very high	54 Å²	54	31.9 Å²	31.9	45%	0.446	19%	0.186	S	C	.	.			trans	-158.5	156	174.8	0	0	0	0	0	110
120	L	93.5	Very high	93.7	Very high	11 Å²	11	35 Å²	35	6%	0.058	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-87.2	127.9	162.7	-63.2	176.5	0	0	0	108.4	L117 F134 I141 N148	L117-L120 HydrophobicContact CD1-CD2 4.44Å; L120-F134 HydrophobicContact CD1-CE1 4.05Å; L120-F134 HydrophobicContact CD1-CZ 4.14Å; L120-F134 HydrophobicContact CD2-CZ 4.11Å; L120-I141 HydrophobicContact CD1-CD1 4.41Å; L120-I141 HydrophobicContact CD2-CD1 4.11Å; L120-I141 HydrophobicContact CG-CD1 3.97Å; L120-N148 PolarHBondContact O-ND2 2.95Å
121	P	91.4	Very high	93.7	Very high	29 Å²	29	35 Å²	35	19%	0.188	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-64.7	139.7	175.9	-12.6	23.4	0	0	0	111.1	I96 P98 S124 N148	I96-P121 HydrophobicContact CB-CG 4.42Å; I96-P121 WeakPolarHBondContact O-CG 3.38Å; P98-P121 HydrophobicContact CB-CB 4.34Å; P98-P121 HydrophobicContact CG-CB 4.01Å; P121-S124 WeakPolarHBondContact O-CB 3.08Å; P121-S124 PolarHBondContact O-N 2.91Å; P121-S124 PolarHBondContact O-OG 3.15Å; P121-N148 PolarHBondContact O-ND2 2.88Å
122	A	88	Confident	93.7	Very high	47 Å²	47	35.3 Å²	35.3	39%	0.388	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	141.4	172.9	0	0	0	0	0	110.6	S124 E147	A122-S124 PolarHBondContact O-N 2.68Å; A122-E147 HydrophobicContact CB-CB 4.15Å
123	G	85.4	Confident	93.8	Very high	23 Å²	23	35.5 Å²	35.5	24%	0.237	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	-11.8	-177.9	0	0	0	0	0	116.4	L125 Q126 E147	G123-L125 VanDerWaalsContact C-N 3.25Å; G123-L125 PolarHBondContact O-N 2.69Å; G123-L125 VanDerWaalsContact O-N 3.14Å; G123-Q126 WeakPolarHBondContact O-CB 3.43Å; G123-Q126 PolarHBondContact O-N 3.03Å; G123-E147 PolarHBondContact N-O 3.36Å
124	S	91.5	Very high	94	Very high	4 Å²	4	35.5 Å²	35.5	3%	0.028	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-28.3	-172.6	58.7	0	0	0	0	115.2	P98 P121 A122	P98-S124 WeakPolarHBondContact O-CA 3.36Å; P121-S124 WeakPolarHBondContact O-CB 3.08Å; P121-S124 PolarHBondContact O-N 2.91Å; P121-S124 PolarHBondContact O-OG 3.15Å; A122-S124 PolarHBondContact O-N 2.68Å
125	L	93.9	Very high	94.1	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.01	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-5.8	175.5	-53.1	179.5	0	0	0	113	F101 L110 G123 S127 L128 F134 L152	F101-L125 HydrophobicContact CD2-CD2 4.14Å; F101-L125 HydrophobicContact CE2-CD2 4.32Å; L110-L125 HydrophobicContact CD2-CD2 3.79Å; G123-L125 VanDerWaalsContact C-N 3.25Å; G123-L125 PolarHBondContact O-N 2.69Å; G123-L125 VanDerWaalsContact O-N 3.14Å; L125-S127 PolarHBondContact O-N 3.43Å; L125-L128 HydrophobicContact CB-CD1 4.28Å; L125-L128 HydrophobicContact CD2-CD1 3.83Å; L125-L128 WeakPolarHBondContact O-CB 3.35Å; L125-L128 WeakPolarHBondContact O-CG 3.04Å; L125-L128 PolarHBondContact O-N 2.89Å; L125-F134 HydrophobicContact CD1-CD2 4.04Å; L125-F134 HydrophobicContact CD1-CE1 4.28Å; L125-F134 HydrophobicContact CD1-CE2 3.74Å; L125-F134 HydrophobicContact CD1-CG 4.43Å; L125-F134 HydrophobicContact CD1-CZ 3.87Å; L125-F134 HydrophobicContact CD2-CD2 4.29Å; L125-F134 HydrophobicContact CD2-CE2 3.78Å; L125-F134 HydrophobicContact CD2-CZ 4.47Å; L125-F134 HydrophobicContact CG-CE2 4.44Å; L125-L152 HydrophobicContact CB-CD1 3.98Å; L125-L152 HydrophobicContact CB-CD2 4.49Å; L125-L152 HydrophobicContact CD1-CD1 4.21Å; L125-L152 WeakPolarHBondContact O-CD2 3.32Å
126	Q	91.6	Very high	94.1	Very high	82 Å²	82	35.7 Å²	35.7	38%	0.383	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-22.2	-166.4	-174.5	-179.4	9.6	0	0	114.4	G123 H129 L150	G123-Q126 WeakPolarHBondContact O-CB 3.43Å; G123-Q126 PolarHBondContact O-N 3.03Å; Q126-H129 PolarHBondContact O-CE1 2.94Å; Q126-H129 PolarHBondContact O-ND1 3.21Å; Q126-L150 HydrophobicContact CG-CB 4.12Å
127	S	91.4	Very high	94.1	Very high	26 Å²	26	31.3 Å²	31.3	18%	0.182	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-9.2	178.1	46.5	0	0	0	0	113.9	F101 E102 L125 H129	F101-S127 PolarHBondContact O-OG 3.16Å; E102-S127 WeakPolarHBondContact CA-OG 3.36Å; L125-S127 PolarHBondContact O-N 3.43Å; S127-H129 VanDerWaalsContact C-N 3.28Å; S127-H129 PolarHBondContact O-N 3.12Å; S127-H129 VanDerWaalsContact O-N 3.1Å
128	L	94.9	Very high	94	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.199	C	C	.	.			trans	-91.4	53.8	-169.6	-49.3	-179.8	0	0	0	111.3	F101 L104 L107 L110 L125 K130 L131 L152	F101-L128 HydrophobicContact CB-CD1 4.21Å; F101-L128 HydrophobicContact CB-CD2 4.01Å; F101-L128 HydrophobicContact CB-CG 4.47Å; L104-L128 HydrophobicContact CB-CD2 3.78Å; L104-L128 VanDerWaalsContact O-CD2 3.26Å; L104-L128 WeakPolarHBondContact O-CD2 3.5Å; L107-L128 HydrophobicContact CB-CD2 4.28Å; L107-L128 HydrophobicContact CD2-CD1 4.29Å; L107-L128 HydrophobicContact CD2-CD2 4.38Å; L110-L128 HydrophobicContact CD2-CD1 3.96Å; L125-L128 HydrophobicContact CB-CD1 4.28Å; L125-L128 HydrophobicContact CD2-CD1 3.83Å; L125-L128 WeakPolarHBondContact O-CB 3.35Å; L125-L128 WeakPolarHBondContact O-CG 3.04Å; L125-L128 PolarHBondContact O-N 2.89Å; L128-K130 PolarHBondContact O-N 3.41Å; L128-L131 HydrophobicContact CB-CB 3.93Å; L128-L131 HydrophobicContact CB-CD2 4.24Å; L128-L131 HydrophobicContact CD1-CD2 4.11Å; L128-L131 WeakPolarHBondContact O-CB 3.36Å; L128-L131 PolarHBondContact O-N 3.38Å; L128-L152 HydrophobicContact CB-CD2 4.12Å; L128-L152 VanDerWaalsContact O-CD2 3.31Å; L128-L152 WeakPolarHBondContact O-CD2 3.45Å
129	H	92.8	Very high	94.1	Very high	84 Å²	84	30.6 Å²	30.6	39%	0.389	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-21.5	-172.7	-56.5	-45.3	0	0	0	114.7	Q126 S127 N151 N154	Q126-H129 PolarHBondContact O-CE1 2.94Å; Q126-H129 PolarHBondContact O-ND1 3.21Å; S127-H129 VanDerWaalsContact C-N 3.28Å; S127-H129 PolarHBondContact O-N 3.12Å; S127-H129 VanDerWaalsContact O-N 3.1Å; H129-N151 VanDerWaalsContact CE1-CB 3.49Å; H129-N151 WeakPolarHBondContact CE1-CB 3.46Å; H129-N151 WeakPolarHBondContact ND1-CB 3.49Å; H129-N151 PolarHBondContact ND1-O 3.26Å; H129-N154 PolarHBondContact O-ND2 2.78Å
130	K	95.7	Very high	94.2	Very high	107 Å²	107	29.6 Å²	29.6	47%	0.465	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-4	175.2	-74	-157.5	166.5	-154.5	0	114.8	L107 E108 L128 S132	L107-K130 CarbonylContact O-C 3.56Å; L107-K130 VanDerWaalsContact O-C 3.31Å; E108-K130 HydrophobicContact CG-CB 4.02Å; L128-K130 PolarHBondContact O-N 3.41Å; K130-S132 PolarHBondContact O-N 2.76Å; K130-S132 VanDerWaalsContact O-N 3.08Å
131	L	97.4	Very high	94.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.166	C	C	.	.			trans	-63.7	114.1	-171.6	-166.6	69.1	0	0	0	110.9	L107 L110 L128 F134 L152 N154 L155	L107-L131 HydrophobicContact CD2-CD1 4.38Å; L107-L131 HydrophobicContact CG-CD1 4.46Å; L107-L131 WeakPolarHBondContact O-CA 3.06Å; L107-L131 PolarHBondContact O-N 2.93Å; L107-L131 VanDerWaalsContact O-N 3.17Å; L110-L131 HydrophobicContact CB-CD1 3.77Å; L128-L131 HydrophobicContact CB-CB 3.93Å; L128-L131 HydrophobicContact CB-CD2 4.24Å; L128-L131 HydrophobicContact CD1-CD2 4.11Å; L128-L131 WeakPolarHBondContact O-CB 3.36Å; L128-L131 PolarHBondContact O-N 3.38Å; L131-F134 HydrophobicContact CD2-CB 4.01Å; L131-F134 HydrophobicContact CD2-CD2 4.12Å; L131-F134 HydrophobicContact CD2-CG 4.44Å; L131-L152 HydrophobicContact CB-CD2 4.23Å; L131-L152 HydrophobicContact CD2-CD1 4.45Å; L131-L152 HydrophobicContact CD2-CD2 4.3Å; L131-N154 CarbonylContact O-C 3.59Å; L131-L155 HydrophobicContact CB-CD1 4.41Å; L131-L155 HydrophobicContact CD2-CD1 4.17Å; L131-L155 HydrophobicContact CG-CD1 3.93Å; L131-L155 WeakPolarHBondContact O-CA 3.43Å; L131-L155 WeakPolarHBondContact O-CD1 3.48Å; L131-L155 PolarHBondContact O-N 2.95Å
132	S	97.3	Very high	94.5	Very high	42 Å²	42	33.4 Å²	33.4	29%	0.294	18%	0.182	S	C	.	.			trans	-99.4	-32.6	-179.8	177.5	0	0	0	0	111.7	E108 K130 V156 K157	E108-S132 WeakPolarHBondContact O-CA 3.38Å; E108-S132 PolarHBondContact O-N 3.34Å; K130-S132 PolarHBondContact O-N 2.76Å; K130-S132 VanDerWaalsContact O-N 3.08Å; S132-V156 PolarHBondContact O-N 2.81Å; S132-K157 PolarHBondContact O-N 2.67Å
133	T	97.6	Very high	94.7	Very high	5 Å²	5	37.5 Å²	37.5	3%	0.031	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	124	177.8	-60.1	0	0	0	0	111.9	E108 E109 L110 Y111 Y135 K157	E108-T133 PolarHBondContact O-N 2.89Å; E109-T133 WeakPolarHBondContact CA-O 3.09Å; L110-T133 PolarHBondContact N-O 2.03Å; Y111-T133 HydrophobicContact CE1-CG2 4.44Å; T133-Y135 HydrophobicContact CG2-CD1 3.6Å; T133-Y135 HydrophobicContact CG2-CE1 3.36Å; T133-Y135 HydrophobicContact CG2-CG 4.43Å; T133-K157 HydrophobicContact CG2-CB 4.17Å; T133-K157 HydrophobicContact CG2-CD 4.43Å
134	F	97.7	Very high	95.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	115.4	172.1	-178.7	-99.7	0	0	0	110.9	L110 L112 L120 L125 L131 L155 K157 L158 R159 L160	L110-F134 HydrophobicContact CB-CD2 4.12Å; L110-F134 HydrophobicContact CD2-CD2 3.94Å; L110-F134 HydrophobicContact CD2-CE2 3.79Å; L110-F134 HydrophobicContact CG-CD2 4.06Å; L110-F134 HydrophobicContact CG-CE2 4.09Å; L110-F134 WeakPolarHBondContact O-CA 3.39Å; L112-F134 HydrophobicContact CD1-CE2 3.86Å; L112-F134 HydrophobicContact CD1-CZ 4.06Å; L120-F134 HydrophobicContact CD1-CE1 4.05Å; L120-F134 HydrophobicContact CD1-CZ 4.14Å; L120-F134 HydrophobicContact CD2-CZ 4.11Å; L125-F134 HydrophobicContact CD1-CD2 4.04Å; L125-F134 HydrophobicContact CD1-CE1 4.28Å; L125-F134 HydrophobicContact CD1-CE2 3.74Å; L125-F134 HydrophobicContact CD1-CG 4.43Å; L125-F134 HydrophobicContact CD1-CZ 3.87Å; L125-F134 HydrophobicContact CD2-CD2 4.29Å; L125-F134 HydrophobicContact CD2-CE2 3.78Å; L125-F134 HydrophobicContact CD2-CZ 4.47Å; L125-F134 HydrophobicContact CG-CE2 4.44Å; L131-F134 HydrophobicContact CD2-CB 4.01Å; L131-F134 HydrophobicContact CD2-CD2 4.12Å; L131-F134 HydrophobicContact CD2-CG 4.44Å; F134-L155 HydrophobicContact CB-CD1 3.89Å; F134-K157 PolarHBondContact N-O 2.95Å; F134-L158 HydrophobicContact CB-CD1 4.4Å; F134-L158 HydrophobicContact CD1-CD1 3.64Å; F134-L158 HydrophobicContact CE1-CD1 4.49Å; F134-L158 HydrophobicContact CG-CD1 4.49Å; F134-R159 PolarHBondContact O-N 3.21Å; F134-L160 HydrophobicContact CE1-CD2 4.18Å
135	Y	97.9	Very high	95.2	Very high	45 Å²	45	39.6 Å²	39.6	18%	0.176	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	103.9	177.2	-74.1	12.2	0	0	0	110.5	L110 Y111 L112 G113 T133 K157 R159	L110-Y135 PolarHBondContact O-N 2.85Å; Y111-Y135 AromaticContact CD1-CD2 3.48Å; Y111-Y135 HydrophobicContact CD1-CD2 3.48Å; Y111-Y135 VanDerWaalsContact CD1-CD2 3.48Å; Y111-Y135 HydrophobicContact CD1-CE2 4.15Å; Y111-Y135 AromaticContact CD1-CG 3.8Å; Y111-Y135 HydrophobicContact CD1-CG 3.8Å; Y111-Y135 AromaticContact CE1-CD2 3.52Å; Y111-Y135 HydrophobicContact CE1-CD2 3.52Å; Y111-Y135 AromaticContact CE1-CE2 3.71Å; Y111-Y135 HydrophobicContact CE1-CE2 3.71Å; Y111-Y135 HydrophobicContact CE1-CG 4.01Å; L112-Y135 CarbonylContact C-O 3.52Å; L112-Y135 WeakPolarHBondContact CA-O 3.13Å; L112-Y135 PolarHBondContact N-O 3.01Å; G113-Y135 PolarHBondContact N-O 3.3Å; G113-Y135 VanDerWaalsContact N-O 3.07Å; T133-Y135 HydrophobicContact CG2-CD1 3.6Å; T133-Y135 HydrophobicContact CG2-CE1 3.36Å; T133-Y135 HydrophobicContact CG2-CG 4.43Å; Y135-K157 HydrophobicContact CE1-CB 4.45Å; Y135-R159 HydrophobicContact CD1-CB 3.68Å; Y135-R159 HydrophobicContact CD1-CG 3.63Å; Y135-R159 HydrophobicContact CE1-CB 4.21Å; Y135-R159 HydrophobicContact CE1-CG 3.62Å; Y135-R159 HydrophobicContact CG-CB 4.02Å; Y135-R159 HydrophobicContact CG-CG 4.2Å
136	G	95.6	Very high	95.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.211	C	C	.	.			trans	-112.2	28.6	171.9	0	0	0	0	0	112.9	R159 N163	G136-R159 CarbonylContact C-O 3.57Å; G136-R159 PolarHBondContact N-O 2.98Å; G136-N163 PolarHBondContact O-ND2 3.35Å
137	N	95.9	Very high	95.1	Very high	5 Å²	5	43.2 Å²	43.2	3%	0.027	22%	0.217	C	C	.	.			trans	-65.2	163.3	-179.6	65	-75.9	0	0	0	112.7	G113 H114 N139 R159 D161	G113-N137 CarbonylContact C-O 3.1Å; G113-N137 WeakPolarHBondContact CA-O 3.19Å; G113-N137 WeakPolarHBondContact CA-OD1 3.02Å; H114-N137 PolarHBondContact N-O 2.84Å; H114-N137 PolarHBondContact NE2-ND2 3.26Å; N137-N139 PolarHBondContact O-N 3.18Å; N137-N139 PolarHBondContact O-ND2 3.21Å; N137-R159 HydrophobicContact CB-CB 4.47Å; N137-D161 CarbonylContact C-O 3.55Å; N137-D161 WeakPolarHBondContact CA-O 3.4Å; N137-D161 WeakPolarHBondContact CB-OD2 3.19Å
138	D	95.3	Very high	95.2	Very high	62 Å²	62	42.2 Å²	42.2	33%	0.332	21%	0.21	S	C	.	.	S	Bend	trans	50.8	61.3	173	-67.8	-101.4	0	0	0	113	H114 N115 D161 G162	H114-D138 WeakPolarHBondContact CA-O 3.49Å; H114-D138 HydrophobicContact CB-CB 4.33Å; H114-D138 IonicContact CE1-OD1 2.91Å; H114-D138 PolarHBondContact CE1-OD1 2.92Å; H114-D138 IonicContact CE1-OD2 3.91Å; H114-D138 PolarHBondContact CE1-OD2 3.04Å; H114-D138 PolarHBondContact N-O 2.8Å; H114-D138 WeakPolarHBondContact ND1-CB 3.49Å; H114-D138 IonicContact ND1-OD1 3.35Å; H114-D138 PolarHBondContact ND1-OD1 2.88Å; H114-D138 IonicContact ND1-OD2 3.75Å; H114-D138 IonicContact NE2-OD2 3.99Å; N115-D138 PolarHBondContact N-O 3.09Å; N115-D138 VanDerWaalsContact N-O 3.12Å; D138-D161 PolarHBondContact N-O 3.49Å; D138-G162 WeakPolarHBondContact CA-O 3.13Å; D138-G162 PolarHBondContact N-O 3.3Å
139	N	96.9	Very high	95.1	Very high	14 Å²	14	42.2 Å²	42.2	8%	0.075	21%	0.21	C	C	.	.	S	Bend	trans	-141.2	-178.8	-177.9	-90.9	-88.6	0	0	0	109.5	L112 N115 L116 L117 N137 I141 G162 N163	L112-N139 PolarHBondContact O-ND2 2.81Å; L112-N139 VanDerWaalsContact O-ND2 3.09Å; N115-N139 WeakPolarHBondContact CA-OD1 3.4Å; N115-N139 WeakPolarHBondContact CB-OD1 3.07Å; N115-N139 PolarHBondContact O-OD1 3.3Å; L116-N139 PolarHBondContact N-OD1 2.91Å; L117-N139 HydrophobicContact CB-CB 4.37Å; L117-N139 WeakPolarHBondContact CB-OD1 3.28Å; L117-N139 VanDerWaalsContact CG-OD1 3.27Å; L117-N139 WeakPolarHBondContact CG-OD1 3.33Å; L117-N139 PolarHBondContact N-OD1 2.84Å; N137-N139 PolarHBondContact O-N 3.18Å; N137-N139 PolarHBondContact O-ND2 3.21Å; N139-I141 HydrophobicContact CB-CD1 4.26Å; N139-I141 HydrophobicContact CB-CG1 4.14Å; N139-G162 PolarHBondContact N-O 3.12Å; N139-N163 WeakPolarHBondContact CA-OD1 3.39Å; N139-N163 WeakPolarHBondContact CB-OD1 3.44Å; N139-N163 WeakPolarHBondContact O-CA 3.07Å; N139-N163 PolarHBondContact O-OD1 2.95Å
140	A	96.9	Very high	95.1	Very high	34 Å²	34	41 Å²	41	28%	0.281	21%	0.206	S	C	.	.			trans	-99.4	20.3	-179.2	0	0	0	0	0	113.3	L117 T118 K142	L117-A140 CarbonylContact O-C 3.58Å; L117-A140 VanDerWaalsContact O-CA 3.24Å; L117-A140 WeakPolarHBondContact O-CA 3.07Å; L117-A140 WeakPolarHBondContact O-CB 3.4Å; L117-A140 PolarHBondContact O-N 2.04Å; T118-A140 HydrophobicContact CG2-CB 4.01Å; A140-K142 WeakPolarHBondContact O-CG 3.34Å; A140-K142 PolarHBondContact O-N 3.11Å
141	I	96.4	Very high	94.8	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	20%	0.201	C	C	.	.			trans	-66.3	119.1	-170.5	-56.6	165.4	0	0	0	109.5	L117 T118 L120 N139 K143 I144 L160 N163 S164 L165	L117-I141 HydrophobicContact CB-CG1 4.39Å; L117-I141 WeakPolarHBondContact O-CG1 3.41Å; L117-I141 PolarHBondContact O-N 2.82Å; L117-I141 VanDerWaalsContact O-N 3.09Å; T118-I141 WeakPolarHBondContact O-CA 3.45Å; L120-I141 HydrophobicContact CD1-CD1 4.41Å; L120-I141 HydrophobicContact CD2-CD1 4.11Å; L120-I141 HydrophobicContact CG-CD1 3.97Å; N139-I141 HydrophobicContact CB-CD1 4.26Å; N139-I141 HydrophobicContact CB-CG1 4.14Å; I141-K143 WeakPolarHBondContact CG2-O 3.39Å; I141-I144 HydrophobicContact CG2-CG2 4.22Å; I141-L160 HydrophobicContact CD1-CD2 4.43Å; I141-N163 HydrophobicContact CB-CB 4.47Å; I141-N163 WeakPolarHBondContact CB-OD1 3.44Å; I141-N163 VanDerWaalsContact CG1-OD1 3.28Å; I141-N163 WeakPolarHBondContact CG1-OD1 3.41Å; I141-N163 PolarHBondContact N-OD1 3.31Å; I141-S164 CarbonylContact O-C 3.03Å; I141-S164 WeakPolarHBondContact O-CA 3.19Å; I141-S164 PolarHBondContact O-N 2.89Å; I141-L165 HydrophobicContact CG2-CD2 3.9Å; I141-L165 PolarHBondContact O-N 2.83Å
142	K	94.4	Very high	94.7	Very high	119 Å²	119	39.2 Å²	39.2	52%	0.517	20%	0.201	S	C	.	.			trans	-92.8	-30.5	-178.3	-59.8	-170.9	-179.3	-176.8	0	114.3	T118 A140 S164	T118-K142 PolarHBondContact O-N 2.88Å; A140-K142 WeakPolarHBondContact O-CG 3.34Å; A140-K142 PolarHBondContact O-N 3.11Å; K142-S164 WeakPolarHBondContact CA-O 3.13Å
143	K	92.8	Very high	94.5	Very high	133 Å²	133	40.6 Å²	40.6	58%	0.578	21%	0.205	S	C	*	.			trans	-146.3	147.9	-175	-62.2	-173.7	-179	-178.7	0	110.2	I141	I141-K143 WeakPolarHBondContact CG2-O 3.39Å
144	I	94.4	Very high	94.4	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.015	22%	0.223	C	C	.	.			trans	-126.8	144.9	170.2	46.8	166.7	0	0	0	108.8	I141 F149 L160 L165 L168 V172 F173	I141-I144 HydrophobicContact CG2-CG2 4.22Å; I144-F149 HydrophobicContact CB-CE2 4.04Å; I144-F149 HydrophobicContact CB-CZ 4.47Å; I144-F149 HydrophobicContact CD1-CE2 4.16Å; I144-F149 HydrophobicContact CG2-CE2 4.27Å; I144-F149 HydrophobicContact CG2-CZ 4.19Å; I144-L160 HydrophobicContact CD1-CD1 4.18Å; I144-L160 HydrophobicContact CG2-CD1 4.39Å; I144-L165 HydrophobicContact CD1-CD1 4.3Å; I144-L165 HydrophobicContact CG1-CD1 4.5Å; I144-L165 HydrophobicContact CG1-CD2 4.18Å; I144-L165 HydrophobicContact CG2-CD2 4.16Å; I144-L168 HydrophobicContact CD1-CD2 4.22Å; I144-V172 HydrophobicContact CB-CG2 4.29Å; I144-V172 HydrophobicContact CD1-CG2 3.9Å; I144-V172 HydrophobicContact CG1-CG2 3.95Å; I144-F173 HydrophobicContact CD1-CE1 3.76Å; I144-F173 HydrophobicContact CD1-CZ 3.68Å
145	L	92.7	Very high	94.4	Very high	68 Å²	68	43.9 Å²	43.9	36%	0.356	22%	0.223	S	C	.	.			trans	-121.5	155.8	-179	-61.2	174.7	0	0	0	109.7	E147 N148	L145-E147 HydrophobicContact CB-CB 4.47Å; L145-E147 PolarHBondContact O-N 3.41Å; L145-E147 VanDerWaalsContact O-N 3.13Å; L145-N148 PolarHBondContact N-OD1 3.2Å; L145-N148 WeakPolarHBondContact O-CB 3.18Å; L145-N148 PolarHBondContact O-N 3.15Å; L145-N148 PolarHBondContact O-OD1 3.21Å
146	P	92	Very high	94.4	Very high	50 Å²	50	43.1 Å²	43.1	33%	0.325	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-52.9	-33.6	172.1	-22.2	30.1	0	0	0	112.7	N148 F149 L150	P146-N148 PolarHBondContact O-N 3.05Å; P146-F149 PolarHBondContact O-N 3.1Å; P146-L150 PolarHBondContact O-N 2.87Å
147	E	91.1	Very high	94.4	Very high	109 Å²	109	47.2 Å²	47.2	51%	0.509	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-62.7	-16.8	176.9	-63.9	-179.4	-172.4	0	0	115	A122 G123 L145 F149 L150	A122-E147 HydrophobicContact CB-CB 4.15Å; G123-E147 PolarHBondContact N-O 3.36Å; L145-E147 HydrophobicContact CB-CB 4.47Å; L145-E147 PolarHBondContact O-N 3.41Å; L145-E147 VanDerWaalsContact O-N 3.13Å; E147-F149 VanDerWaalsContact C-N 3.32Å; E147-L150 HydrophobicContact CB-CD1 4.42Å; E147-L150 HydrophobicContact CG-CD1 4.47Å
148	N	93	Very high	94.5	Very high	5 Å²	5	47 Å²	47	3%	0.027	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-77.6	-20	173.7	-64.2	123.9	0	0	0	112.7	L120 P121 L145 P146	L120-N148 PolarHBondContact O-ND2 2.95Å; P121-N148 PolarHBondContact O-ND2 2.88Å; L145-N148 PolarHBondContact N-OD1 3.2Å; L145-N148 WeakPolarHBondContact O-CB 3.18Å; L145-N148 PolarHBondContact O-N 3.15Å; L145-N148 PolarHBondContact O-OD1 3.21Å; P146-N148 PolarHBondContact O-N 3.05Å
149	F	94.2	Very high	94.7	Very high	1 Å²	1	46.4 Å²	46.4	0%	0.004	23%	0.232	C	C	.	.	S	Bend	trans	-122.8	12.3	-169.8	-56.3	-63	0	0	0	113.9	I144 P146 E147 N151 L152 L158 L160 V172 F173 S175 L176	I144-F149 HydrophobicContact CB-CE2 4.04Å; I144-F149 HydrophobicContact CB-CZ 4.47Å; I144-F149 HydrophobicContact CD1-CE2 4.16Å; I144-F149 HydrophobicContact CG2-CE2 4.27Å; I144-F149 HydrophobicContact CG2-CZ 4.19Å; P146-F149 PolarHBondContact O-N 3.1Å; E147-F149 VanDerWaalsContact C-N 3.32Å; F149-N151 PolarHBondContact O-N 3.35Å; F149-L152 HydrophobicContact CB-CD1 4.5Å; F149-L152 HydrophobicContact CD1-CD1 4.15Å; F149-L152 PolarHBondContact O-N 2.95Å; F149-L158 HydrophobicContact CE1-CD1 4.23Å; F149-L158 HydrophobicContact CE1-CD2 4.17Å; F149-L158 HydrophobicContact CZ-CD2 4.35Å; F149-L160 HydrophobicContact CZ-CD1 4.01Å; F149-V172 WeakPolarHBondContact CD2-O 3.37Å; F149-V172 HydrophobicContact CE2-CG2 4.39Å; F149-F173 HydrophobicContact CD2-CD1 4.34Å; F149-F173 HydrophobicContact CE2-CD1 4.27Å; F149-F173 HydrophobicContact CE2-CE1 4.06Å; F149-F173 HydrophobicContact CZ-CE1 4.47Å; F149-S175 WeakPolarHBondContact O-CB 3.19Å; F149-L176 HydrophobicContact CB-CD1 4.46Å; F149-L176 HydrophobicContact CB-CD2 3.98Å; F149-L176 HydrophobicContact CB-CG 4.28Å; F149-L176 HydrophobicContact CD1-CD1 4.44Å; F149-L176 HydrophobicContact CG-CD1 4.35Å
150	L	92.1	Very high	94.7	Very high	57 Å²	57	45.8 Å²	45.8	30%	0.298	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	134.4	175.8	-71.9	170.6	0	0	0	111.2	Q126 P146 E147 L152	Q126-L150 HydrophobicContact CG-CB 4.12Å; P146-L150 PolarHBondContact O-N 2.87Å; E147-L150 HydrophobicContact CB-CD1 4.42Å; E147-L150 HydrophobicContact CG-CD1 4.47Å; L150-L152 PolarHBondContact O-N 3.09Å
151	N	90.2	Very high	94.7	Very high	71 Å²	71	44.5 Å²	44.5	38%	0.38	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	33	175.8	-49.8	-5.6	0	0	0	114.3	H129 F149	H129-N151 VanDerWaalsContact CE1-CB 3.49Å; H129-N151 WeakPolarHBondContact CE1-CB 3.46Å; H129-N151 WeakPolarHBondContact ND1-CB 3.49Å; H129-N151 PolarHBondContact ND1-O 3.26Å; F149-N151 PolarHBondContact O-N 3.35Å
152	L	94.6	Very high	94.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.228	C	C	.	.			trans	-106.4	40.2	171	-61	-173.5	0	0	0	111.8	L125 L128 L131 F149 L150 N154 L155 L176	L125-L152 HydrophobicContact CB-CD1 3.98Å; L125-L152 HydrophobicContact CB-CD2 4.49Å; L125-L152 HydrophobicContact CD1-CD1 4.21Å; L125-L152 WeakPolarHBondContact O-CD2 3.32Å; L128-L152 HydrophobicContact CB-CD2 4.12Å; L128-L152 VanDerWaalsContact O-CD2 3.31Å; L128-L152 WeakPolarHBondContact O-CD2 3.45Å; L131-L152 HydrophobicContact CB-CD2 4.23Å; L131-L152 HydrophobicContact CD2-CD1 4.45Å; L131-L152 HydrophobicContact CD2-CD2 4.3Å; F149-L152 HydrophobicContact CB-CD1 4.5Å; F149-L152 HydrophobicContact CD1-CD1 4.15Å; F149-L152 PolarHBondContact O-N 2.95Å; L150-L152 PolarHBondContact O-N 3.09Å; L152-N154 PolarHBondContact O-N 3.04Å; L152-L155 HydrophobicContact CB-CB 4.39Å; L152-L155 VanDerWaalsContact O-CB 3.29Å; L152-L155 WeakPolarHBondContact O-CB 3.27Å; L152-L155 PolarHBondContact O-N 3.17Å; L152-L155 VanDerWaalsContact O-N 3.1Å; L152-L176 HydrophobicContact CB-CD2 3.66Å; L152-L176 WeakPolarHBondContact O-CD2 3.31Å
153	D	93.6	Very high	94.9	Very high	70 Å²	70	40.2 Å²	40.2	37%	0.374	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-21	-176.9	41.8	-76.7	0	0	0	114.4	S175 N178	D153-S175 VanDerWaalsContact CA-O 3.28Å; D153-S175 WeakPolarHBondContact CA-O 3.25Å; D153-N178 WeakPolarHBondContact O-CB 3.3Å; D153-N178 PolarHBondContact O-N 3.31Å; D153-N178 PolarHBondContact O-ND2 3.25Å
154	N	95.8	Very high	95.1	Very high	74 Å²	74	35 Å²	35	40%	0.396	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-1.1	174.3	-66.2	-65.4	0	0	0	114.5	H129 L131 L152 V156	H129-N154 PolarHBondContact O-ND2 2.78Å; L131-N154 CarbonylContact O-C 3.59Å; L152-N154 PolarHBondContact O-N 3.04Å; N154-V156 PolarHBondContact O-N 2.75Å
155	L	97.2	Very high	95.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.185	C	C	.	.			trans	-69.2	118	-176.6	-165	74.3	0	0	0	111.6	L131 F134 L152 L158 L176 N178 L179	L131-L155 HydrophobicContact CB-CD1 4.41Å; L131-L155 HydrophobicContact CD2-CD1 4.17Å; L131-L155 HydrophobicContact CG-CD1 3.93Å; L131-L155 WeakPolarHBondContact O-CA 3.43Å; L131-L155 WeakPolarHBondContact O-CD1 3.48Å; L131-L155 PolarHBondContact O-N 2.95Å; F134-L155 HydrophobicContact CB-CD1 3.89Å; L152-L155 HydrophobicContact CB-CB 4.39Å; L152-L155 VanDerWaalsContact O-CB 3.29Å; L152-L155 WeakPolarHBondContact O-CB 3.27Å; L152-L155 PolarHBondContact O-N 3.17Å; L152-L155 VanDerWaalsContact O-N 3.1Å; L155-L158 HydrophobicContact CD2-CB 4.05Å; L155-L158 HydrophobicContact CD2-CD1 4.37Å; L155-L158 HydrophobicContact CD2-CD2 4.43Å; L155-L176 HydrophobicContact CB-CD2 4.05Å; L155-L176 HydrophobicContact CD2-CD1 4.12Å; L155-L176 HydrophobicContact CD2-CD2 3.79Å; L155-N178 CarbonylContact O-C 3.51Å; L155-L179 HydrophobicContact CD2-CD1 4.26Å; L155-L179 HydrophobicContact CG-CD1 4.26Å; L155-L179 WeakPolarHBondContact O-CA 3.46Å; L155-L179 PolarHBondContact O-N 3.09Å; L155-L179 VanDerWaalsContact O-N 3.11Å
156	V	96.8	Very high	95.3	Very high	30 Å²	30	35.7 Å²	35.7	18%	0.182	19%	0.187	C	C	.	.			trans	-98.1	-34.4	-179.3	-177.8	0	0	0	0	111.9	S132 N154 Q180 Y181	S132-V156 PolarHBondContact O-N 2.81Å; N154-V156 PolarHBondContact O-N 2.75Å; V156-Q180 HydrophobicContact CG1-CB 3.96Å; V156-Q180 HydrophobicContact CG1-CG 4.11Å; V156-Q180 PolarHBondContact O-N 3.28Å; V156-Y181 HydrophobicContact CG1-CD2 4.42Å; V156-Y181 PolarHBondContact O-N 3.3Å
157	K	97.1	Very high	95.3	Very high	85 Å²	85	37 Å²	37	37%	0.37	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	121.8	-176.8	-62.5	177.2	-175.7	171.1	0	111.3	S132 T133 F134 Y135 Y181	S132-K157 PolarHBondContact O-N 2.67Å; T133-K157 HydrophobicContact CG2-CB 4.17Å; T133-K157 HydrophobicContact CG2-CD 4.43Å; F134-K157 PolarHBondContact N-O 2.95Å; Y135-K157 HydrophobicContact CE1-CB 4.45Å; K157-Y181 HydrophobicContact CG-CD2 3.87Å; K157-Y181 HydrophobicContact CG-CG 4.38Å
158	L	98.1	Very high	95.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	118.5	174.7	178.1	52	0	0	0	110	F134 F149 L155 L160 F173 L176 L179 Y181 L182 H183	F134-L158 HydrophobicContact CB-CD1 4.4Å; F134-L158 HydrophobicContact CD1-CD1 3.64Å; F134-L158 HydrophobicContact CE1-CD1 4.49Å; F134-L158 HydrophobicContact CG-CD1 4.49Å; F149-L158 HydrophobicContact CE1-CD1 4.23Å; F149-L158 HydrophobicContact CE1-CD2 4.17Å; F149-L158 HydrophobicContact CZ-CD2 4.35Å; L155-L158 HydrophobicContact CD2-CB 4.05Å; L155-L158 HydrophobicContact CD2-CD1 4.37Å; L155-L158 HydrophobicContact CD2-CD2 4.43Å; L158-L160 HydrophobicContact CD1-CD1 3.98Å; L158-L160 HydrophobicContact CD1-CD2 4.3Å; L158-L160 HydrophobicContact CD1-CG 3.8Å; L158-L160 HydrophobicContact CD2-CD1 4.16Å; L158-L160 HydrophobicContact CG-CD1 4.12Å; L158-L160 HydrophobicContact CG-CG 4.19Å; L158-F173 HydrophobicContact CD2-CD1 4.04Å; L158-F173 HydrophobicContact CD2-CE1 3.8Å; L158-L176 HydrophobicContact CD2-CD1 3.64Å; L158-L179 HydrophobicContact CB-CD1 3.71Å; L158-L179 HydrophobicContact CB-CD2 4.43Å; L158-Y181 PolarHBondContact N-O 3.04Å; L158-L182 HydrophobicContact CB-CD1 4.04Å; L158-L182 HydrophobicContact CD2-CD1 3.86Å; L158-L182 HydrophobicContact CG-CD1 3.84Å; L158-H183 PolarHBondContact O-N 3.09Å
159	R	97.8	Very high	95.3	Very high	50 Å²	50	35.2 Å²	35.2	19%	0.189	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	119.1	171.6	-72.6	-165.4	72.5	163.9	-1.7	111.3	F134 Y135 G136 N137 D161 H183	F134-R159 PolarHBondContact O-N 3.21Å; Y135-R159 HydrophobicContact CD1-CB 3.68Å; Y135-R159 HydrophobicContact CD1-CG 3.63Å; Y135-R159 HydrophobicContact CE1-CB 4.21Å; Y135-R159 HydrophobicContact CE1-CG 3.62Å; Y135-R159 HydrophobicContact CG-CB 4.02Å; Y135-R159 HydrophobicContact CG-CG 4.2Å; G136-R159 CarbonylContact C-O 3.57Å; G136-R159 PolarHBondContact N-O 2.98Å; N137-R159 HydrophobicContact CB-CB 4.47Å; R159-D161 VanDerWaalsContact CB-OD1 3.26Å; R159-D161 WeakPolarHBondContact CB-OD1 3.35Å; R159-D161 IonicContact CZ-OD1 3.45Å; R159-D161 IonicContact CZ-OD2 3.81Å; R159-D161 IonicContact NE-OD1 2.7Å; R159-D161 PolarHBondContact NE-OD1 2.82Å; R159-D161 IonicContact NE-OD2 3.12Å; R159-D161 PolarHBondContact NE-OD2 3.15Å; R159-D161 IonicContact NH2-OD1 3.66Å; R159-D161 IonicContact NH2-OD2 2.6Å; R159-D161 PolarHBondContact NH2-OD2 2.86Å; R159-H183 HydrophobicContact CB-CB 4.39Å; R159-H183 HydrophobicContact CG-CB 3.93Å
160	L	97.6	Very high	95	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	20%	0.201	C	C	.	.			trans	-134.1	20.2	175.8	-64.9	172.5	0	0	0	110.7	F134 I141 I144 F149 L158 N163 L165 H183 L184 N187	F134-L160 HydrophobicContact CE1-CD2 4.18Å; I141-L160 HydrophobicContact CD1-CD2 4.43Å; I144-L160 HydrophobicContact CD1-CD1 4.18Å; I144-L160 HydrophobicContact CG2-CD1 4.39Å; F149-L160 HydrophobicContact CZ-CD1 4.01Å; L158-L160 HydrophobicContact CD1-CD1 3.98Å; L158-L160 HydrophobicContact CD1-CD2 4.3Å; L158-L160 HydrophobicContact CD1-CG 3.8Å; L158-L160 HydrophobicContact CD2-CD1 4.16Å; L158-L160 HydrophobicContact CG-CD1 4.12Å; L158-L160 HydrophobicContact CG-CG 4.19Å; L160-N163 WeakPolarHBondContact O-CB 3.38Å; L160-N163 PolarHBondContact O-ND2 2.79Å; L160-L165 HydrophobicContact CB-CD1 4.37Å; L160-H183 PolarHBondContact N-O 2.8Å; L160-L184 HydrophobicContact CB-CD2 3.97Å; L160-L184 HydrophobicContact CD1-CD2 4.32Å; L160-N187 PolarHBondContact O-ND2 2.87Å
161	D	97.2	Very high	94.9	Very high	8 Å²	8	37.4 Å²	37.4	4%	0.043	20%	0.201	C	C	.	.			trans	-64.4	160.3	174.8	47.1	-70.3	0	0	0	112.8	N137 D138 R159 N163 H183 E185	N137-D161 CarbonylContact C-O 3.55Å; N137-D161 WeakPolarHBondContact CA-O 3.4Å; N137-D161 WeakPolarHBondContact CB-OD2 3.19Å; D138-D161 PolarHBondContact N-O 3.49Å; R159-D161 VanDerWaalsContact CB-OD1 3.26Å; R159-D161 WeakPolarHBondContact CB-OD1 3.35Å; R159-D161 IonicContact CZ-OD1 3.45Å; R159-D161 IonicContact CZ-OD2 3.81Å; R159-D161 IonicContact NE-OD1 2.7Å; R159-D161 PolarHBondContact NE-OD1 2.82Å; R159-D161 IonicContact NE-OD2 3.12Å; R159-D161 PolarHBondContact NE-OD2 3.15Å; R159-D161 IonicContact NH2-OD1 3.66Å; R159-D161 IonicContact NH2-OD2 2.6Å; R159-D161 PolarHBondContact NH2-OD2 2.86Å; D161-N163 PolarHBondContact O-N 3.3Å; D161-N163 PolarHBondContact O-ND2 2.96Å; D161-H183 HydrophobicContact CB-CB 4.31Å; D161-H183 PolarHBondContact N-O 2.57Å; D161-H183 WeakPolarHBondContact OD1-CB 3.2Å; D161-E185 CarbonylContact C-O 3.13Å; D161-E185 WeakPolarHBondContact CA-O 3.34Å; D161-E185 HydrophobicContact CB-CG 3.7Å; D161-E185 WeakPolarHBondContact CB-O 3.41Å
162	G	96.4	Very high	95.1	Very high	22 Å²	22	34 Å²	34	23%	0.227	18%	0.183	C	C	.	.	S	Bend	trans	63.3	37.2	178.9	0	0	0	0	0	113.8	D138 N139 E185 H186	D138-G162 WeakPolarHBondContact CA-O 3.13Å; D138-G162 PolarHBondContact N-O 3.3Å; N139-G162 PolarHBondContact N-O 3.12Å; G162-E185 PolarHBondContact N-O 3.18Å; G162-H186 CarbonylContact C-O 3.4Å; G162-H186 VanDerWaalsContact CA-O 3.24Å; G162-H186 WeakPolarHBondContact CA-O 3.36Å; G162-H186 PolarHBondContact N-O 2.96Å
163	N	97.9	Very high	95.1	Very high	8 Å²	8	34 Å²	34	4%	0.043	18%	0.183	C	C	.	.	S	Bend	trans	-119.9	-164.4	-176.8	-88.1	-85.3	0	0	0	111.4	G136 N139 I141 L160 D161 L165 H186 N187	G136-N163 PolarHBondContact O-ND2 3.35Å; N139-N163 WeakPolarHBondContact CA-OD1 3.39Å; N139-N163 WeakPolarHBondContact CB-OD1 3.44Å; N139-N163 WeakPolarHBondContact O-CA 3.07Å; N139-N163 PolarHBondContact O-OD1 2.95Å; I141-N163 HydrophobicContact CB-CB 4.47Å; I141-N163 WeakPolarHBondContact CB-OD1 3.44Å; I141-N163 VanDerWaalsContact CG1-OD1 3.28Å; I141-N163 WeakPolarHBondContact CG1-OD1 3.41Å; I141-N163 PolarHBondContact N-OD1 3.31Å; L160-N163 WeakPolarHBondContact O-CB 3.38Å; L160-N163 PolarHBondContact O-ND2 2.79Å; D161-N163 PolarHBondContact O-N 3.3Å; D161-N163 PolarHBondContact O-ND2 2.96Å; N163-L165 HydrophobicContact CB-CG 4.45Å; N163-H186 PolarHBondContact N-O 3.24Å; N163-H186 VanDerWaalsContact N-O 3.11Å; N163-N187 WeakPolarHBondContact CA-OD1 3.26Å; N163-N187 WeakPolarHBondContact CB-OD1 3.32Å; N163-N187 PolarHBondContact O-OD1 3.31Å
164	S	97.1	Very high	95	Very high	23 Å²	23	32.1 Å²	32.1	16%	0.161	17%	0.174	C	C	.	.			trans	-124.5	35.2	178.2	-72.4	0	0	0	0	112.5	I141 K142 E166 N187 K188	I141-S164 CarbonylContact O-C 3.03Å; I141-S164 WeakPolarHBondContact O-CA 3.19Å; I141-S164 PolarHBondContact O-N 2.89Å; K142-S164 WeakPolarHBondContact CA-O 3.13Å; S164-E166 PolarHBondContact O-N 3.3Å; S164-N187 PolarHBondContact N-OD1 3.33Å; S164-K188 PolarHBondContact OG-NZ 3.34Å
165	L	96.8	Very high	94.8	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	17%	0.168	C	C	.	.			trans	-65.7	123.1	176.8	-58.8	177.9	0	0	0	110.4	I141 I144 L160 N163 L184 N187 K188 L189	I141-L165 HydrophobicContact CG2-CD2 3.9Å; I141-L165 PolarHBondContact O-N 2.83Å; I144-L165 HydrophobicContact CD1-CD1 4.3Å; I144-L165 HydrophobicContact CG1-CD1 4.5Å; I144-L165 HydrophobicContact CG1-CD2 4.18Å; I144-L165 HydrophobicContact CG2-CD2 4.16Å; L160-L165 HydrophobicContact CB-CD1 4.37Å; N163-L165 HydrophobicContact CB-CG 4.45Å; L165-L184 HydrophobicContact CD1-CD2 3.85Å; L165-N187 HydrophobicContact CB-CB 4.42Å; L165-N187 VanDerWaalsContact CB-OD1 3.27Å; L165-N187 WeakPolarHBondContact CB-OD1 3.43Å; L165-N187 VanDerWaalsContact CG-OD1 3.31Å; L165-N187 WeakPolarHBondContact CG-OD1 3.36Å; L165-N187 PolarHBondContact N-OD1 3.1Å; L165-K188 CarbonylContact O-C 3.58Å; L165-K188 VanDerWaalsContact O-CA 3.26Å; L165-K188 WeakPolarHBondContact O-CA 3.37Å; L165-K188 PolarHBondContact O-N 2.81Å; L165-L189 HydrophobicContact CB-CD2 3.86Å; L165-L189 WeakPolarHBondContact O-CD2 3.43Å; L165-L189 PolarHBondContact O-N 2.6Å; L165-L189 VanDerWaalsContact O-N 3.11Å
166	E	94.3	Very high	94.7	Very high	85 Å²	85	30.5 Å²	30.5	40%	0.397	17%	0.168	S	C	.	.			trans	-95.2	-32.6	-176.7	-68.8	163.5	-177	0	0	113.3	S164 K188 L189 H190	S164-E166 PolarHBondContact O-N 3.3Å; E166-K188 WeakPolarHBondContact CA-O 3.01Å; E166-K188 HydrophobicContact CG-CB 4.46Å; E166-L189 WeakPolarHBondContact O-CA 3.05Å; E166-H190 PolarHBondContact O-N 3.14Å; E166-H190 VanDerWaalsContact O-N 3.08Å
167	V	92.9	Very high	94.5	Very high	76 Å²	76	31.1 Å²	31.1	46%	0.461	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	136.6	-175.1	-179.2	0	0	0	0	110.5
168	L	93.4	Very high	94.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	113.4	165.1	-58.9	-179.6	0	0	0	109.9	I144 F173 L184 L189 I192 H193 A196 F197	I144-L168 HydrophobicContact CD1-CD2 4.22Å; L168-F173 HydrophobicContact CD1-CE2 4.46Å; L168-F173 HydrophobicContact CD2-CE2 4.36Å; L168-F173 HydrophobicContact CD2-CZ 4.32Å; L168-L184 HydrophobicContact CD1-CD1 3.94Å; L168-L184 HydrophobicContact CD2-CD1 4.29Å; L168-L184 HydrophobicContact CD2-CD2 4.49Å; L168-L189 HydrophobicContact CD1-CD1 4.07Å; L168-L189 HydrophobicContact CD2-CD1 4.17Å; L168-L189 HydrophobicContact CD2-CD2 3.91Å; L168-L189 HydrophobicContact CG-CD1 3.96Å; L168-L189 HydrophobicContact CG-CD2 3.82Å; L168-I192 HydrophobicContact CD1-CG1 4.3Å; L168-H193 WeakPolarHBondContact O-CB 3.47Å; L168-H193 PolarHBondContact O-N 3.45Å; L168-A196 HydrophobicContact CB-CB 3.86Å; L168-F197 HydrophobicContact CD1-CE1 3.87Å; L168-F197 HydrophobicContact CD1-CZ 3.69Å
169	Q	89.6	Confident	94.4	Very high	77 Å²	77	30.3 Å²	30.3	36%	0.36	18%	0.176	S	C	.	.			trans	-71.6	161.4	179.1	-61.8	-175	0.2	0	0	112.3	S171 V172 A196	Q169-S171 PolarHBondContact O-N 2.91Å; Q169-V172 WeakPolarHBondContact O-CG1 3.34Å; Q169-A196 WeakPolarHBondContact O-CA 3.44Å
170	D	89.2	Confident	94.4	Very high	63 Å²	63	30 Å²	30	34%	0.337	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	139.4	168.6	-69.8	84.6	0	0	0	111.7	V172 H193 N195	D170-V172 PolarHBondContact O-N 3.06Å; D170-H193 IonicContact OD1-CE1 3.06Å; D170-H193 PolarHBondContact OD1-CE1 3.5Å; D170-H193 IonicContact OD1-CG 2.94Å; D170-H193 IonicContact OD1-ND1 2.94Å; D170-H193 PolarHBondContact OD1-ND1 3.41Å; D170-H193 IonicContact OD2-CE1 2.62Å; D170-H193 PolarHBondContact OD2-CE1 2.99Å; D170-H193 IonicContact OD2-ND1 3.82Å; D170-H193 PolarHBondContact OD2-ND1 3.48Å; D170-N195 WeakPolarHBondContact OD2-CB 3.44Å; D170-N195 PolarHBondContact OD2-ND2 2.93Å
171	S	89.4	Confident	94.4	Very high	41 Å²	41	34 Å²	34	29%	0.287	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	9.8	164.7	-53	0	0	0	0	115.4	Q169 F173 T174 N195	Q169-S171 PolarHBondContact O-N 2.91Å; S171-F173 PolarHBondContact O-N 3.19Å; S171-F173 VanDerWaalsContact O-N 3.11Å; S171-T174 VanDerWaalsContact C-OG1 3.24Å; S171-T174 WeakPolarHBondContact CA-OG1 3.28Å; S171-T174 WeakPolarHBondContact CB-OG1 3.39Å; S171-T174 VanDerWaalsContact O-CB 3.24Å; S171-T174 WeakPolarHBondContact O-CB 3.17Å; S171-T174 PolarHBondContact O-N 3.37Å; S171-T174 PolarHBondContact O-OG1 2.86Å; S171-N195 PolarHBondContact N-O 3.15Å
172	V	93.6	Very high	94.4	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.006	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-29.1	-173.8	67.9	0	0	0	0	113.7	I144 F149 Q169 D170	I144-V172 HydrophobicContact CB-CG2 4.29Å; I144-V172 HydrophobicContact CD1-CG2 3.9Å; I144-V172 HydrophobicContact CG1-CG2 3.95Å; F149-V172 WeakPolarHBondContact CD2-O 3.37Å; F149-V172 HydrophobicContact CE2-CG2 4.39Å; Q169-V172 WeakPolarHBondContact O-CG1 3.34Å; D170-V172 PolarHBondContact O-N 3.06Å
173	F	95	Very high	94.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	13	177.7	-54.8	-56.8	0	0	0	114.3	I144 F149 L158 L168 S171 S175 L176 L182 L184 F197 L200	I144-F173 HydrophobicContact CD1-CE1 3.76Å; I144-F173 HydrophobicContact CD1-CZ 3.68Å; F149-F173 HydrophobicContact CD2-CD1 4.34Å; F149-F173 HydrophobicContact CE2-CD1 4.27Å; F149-F173 HydrophobicContact CE2-CE1 4.06Å; F149-F173 HydrophobicContact CZ-CE1 4.47Å; L158-F173 HydrophobicContact CD2-CD1 4.04Å; L158-F173 HydrophobicContact CD2-CE1 3.8Å; L168-F173 HydrophobicContact CD1-CE2 4.46Å; L168-F173 HydrophobicContact CD2-CE2 4.36Å; L168-F173 HydrophobicContact CD2-CZ 4.32Å; S171-F173 PolarHBondContact O-N 3.19Å; S171-F173 VanDerWaalsContact O-N 3.11Å; F173-S175 PolarHBondContact O-N 2.97Å; F173-S175 VanDerWaalsContact O-N 3.11Å; F173-L176 HydrophobicContact CB-CD1 4.08Å; F173-L176 HydrophobicContact CB-CG 4.49Å; F173-L176 HydrophobicContact CD1-CD1 3.76Å; F173-L176 HydrophobicContact CG-CD1 4.34Å; F173-L176 WeakPolarHBondContact O-CB 3.44Å; F173-L176 PolarHBondContact O-N 2.79Å; F173-L182 HydrophobicContact CD2-CD2 4.11Å; F173-L182 HydrophobicContact CE2-CD2 3.87Å; F173-L182 HydrophobicContact CZ-CD1 4.36Å; F173-L182 HydrophobicContact CZ-CD2 4.23Å; F173-L184 HydrophobicContact CE2-CD1 4.28Å; F173-L184 HydrophobicContact CZ-CD1 4.22Å; F173-L184 HydrophobicContact CZ-CD2 4.48Å; F173-F197 AromaticContact CD2-CD1 3.94Å; F173-F197 HydrophobicContact CD2-CD1 3.94Å; F173-F197 HydrophobicContact CD2-CE1 4.22Å; F173-F197 HydrophobicContact CE2-CD1 4.17Å; F173-F197 AromaticContact CE2-CE1 3.97Å; F173-F197 HydrophobicContact CE2-CE1 3.97Å; F173-L200 HydrophobicContact CB-CD1 3.88Å; F173-L200 HydrophobicContact CB-CD2 4.01Å; F173-L200 HydrophobicContact CB-CG 4.2Å; F173-L200 HydrophobicContact CD2-CD1 4.22Å; F173-L200 HydrophobicContact CG-CD1 4.36Å
174	T	92.1	Very high	94.5	Very high	30 Å²	30	33.9 Å²	33.9	18%	0.184	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-26.3	-168.5	-61.5	0	0	0	0	114.8	S171 K199	S171-T174 VanDerWaalsContact C-OG1 3.24Å; S171-T174 WeakPolarHBondContact CA-OG1 3.28Å; S171-T174 WeakPolarHBondContact CB-OG1 3.39Å; S171-T174 VanDerWaalsContact O-CB 3.24Å; S171-T174 WeakPolarHBondContact O-CB 3.17Å; S171-T174 PolarHBondContact O-N 3.37Å; S171-T174 PolarHBondContact O-OG1 2.86Å; T174-K199 HydrophobicContact CG2-CD 3.69Å; T174-K199 HydrophobicContact CG2-CG 4.08Å
175	S	91.8	Very high	94.5	Very high	39 Å²	39	33.6 Å²	33.6	27%	0.273	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-17.2	176.3	-66	0	0	0	0	113.5	F149 D153 F173 A177	F149-S175 WeakPolarHBondContact O-CB 3.19Å; D153-S175 VanDerWaalsContact CA-O 3.28Å; D153-S175 WeakPolarHBondContact CA-O 3.25Å; F173-S175 PolarHBondContact O-N 2.97Å; F173-S175 VanDerWaalsContact O-N 3.11Å; S175-A177 PolarHBondContact O-N 3.46Å
176	L	95.4	Very high	94.5	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	20%	0.204	C	C	.	.			trans	-85.3	55.9	-171.1	-52.8	-176.9	0	0	0	112.2	F149 L152 L155 L158 F173 N178 L179 L200	F149-L176 HydrophobicContact CB-CD1 4.46Å; F149-L176 HydrophobicContact CB-CD2 3.98Å; F149-L176 HydrophobicContact CB-CG 4.28Å; F149-L176 HydrophobicContact CD1-CD1 4.44Å; F149-L176 HydrophobicContact CG-CD1 4.35Å; L152-L176 HydrophobicContact CB-CD2 3.66Å; L152-L176 WeakPolarHBondContact O-CD2 3.31Å; L155-L176 HydrophobicContact CB-CD2 4.05Å; L155-L176 HydrophobicContact CD2-CD1 4.12Å; L155-L176 HydrophobicContact CD2-CD2 3.79Å; L158-L176 HydrophobicContact CD2-CD1 3.64Å; F173-L176 HydrophobicContact CB-CD1 4.08Å; F173-L176 HydrophobicContact CB-CG 4.49Å; F173-L176 HydrophobicContact CD1-CD1 3.76Å; F173-L176 HydrophobicContact CG-CD1 4.34Å; F173-L176 WeakPolarHBondContact O-CB 3.44Å; F173-L176 PolarHBondContact O-N 2.79Å; L176-N178 VanDerWaalsContact C-N 3.29Å; L176-N178 PolarHBondContact O-N 3.36Å; L176-L179 HydrophobicContact CB-CB 4.02Å; L176-L179 HydrophobicContact CB-CD2 4.28Å; L176-L179 HydrophobicContact CD1-CD2 4.04Å; L176-L179 VanDerWaalsContact O-CB 3.28Å; L176-L179 WeakPolarHBondContact O-CB 3.36Å; L176-L179 PolarHBondContact O-N 3.21Å; L176-L179 VanDerWaalsContact O-N 3.15Å; L176-L200 HydrophobicContact CB-CD2 4.16Å; L176-L200 WeakPolarHBondContact O-CD2 3.33Å
177	A	92.4	Very high	94.7	Very high	42 Å²	42	35 Å²	35	35%	0.347	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-31.1	-169.1	0	0	0	0	0	114.6	S175 N202	S175-A177 PolarHBondContact O-N 3.46Å; A177-N202 PolarHBondContact O-ND2 2.98Å
178	N	95.9	Very high	94.9	Very high	69 Å²	69	35.8 Å²	35.8	37%	0.369	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	9.6	179.7	-66.6	-58.2	0	0	0	114.5	D153 L155 L176 Q180	D153-N178 WeakPolarHBondContact O-CB 3.3Å; D153-N178 PolarHBondContact O-N 3.31Å; D153-N178 PolarHBondContact O-ND2 3.25Å; L155-N178 CarbonylContact O-C 3.51Å; L176-N178 VanDerWaalsContact C-N 3.29Å; L176-N178 PolarHBondContact O-N 3.36Å; N178-Q180 PolarHBondContact O-N 3.03Å
179	L	97.7	Very high	95.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.185	C	C	.	.			trans	-63.6	127	-177	-166.1	70.8	0	0	0	111.5	L155 L158 L176 L182 L200 N202 L203	L155-L179 HydrophobicContact CD2-CD1 4.26Å; L155-L179 HydrophobicContact CG-CD1 4.26Å; L155-L179 WeakPolarHBondContact O-CA 3.46Å; L155-L179 PolarHBondContact O-N 3.09Å; L155-L179 VanDerWaalsContact O-N 3.11Å; L158-L179 HydrophobicContact CB-CD1 3.71Å; L158-L179 HydrophobicContact CB-CD2 4.43Å; L176-L179 HydrophobicContact CB-CB 4.02Å; L176-L179 HydrophobicContact CB-CD2 4.28Å; L176-L179 HydrophobicContact CD1-CD2 4.04Å; L176-L179 VanDerWaalsContact O-CB 3.28Å; L176-L179 WeakPolarHBondContact O-CB 3.36Å; L176-L179 PolarHBondContact O-N 3.21Å; L176-L179 VanDerWaalsContact O-N 3.15Å; L179-L182 HydrophobicContact CD2-CB 4.13Å; L179-L182 HydrophobicContact CD2-CD1 4.49Å; L179-L182 HydrophobicContact CD2-CD2 4.28Å; L179-L200 HydrophobicContact CB-CD2 4.29Å; L179-L200 HydrophobicContact CD2-CD1 4.35Å; L179-L200 HydrophobicContact CD2-CD2 4.27Å; L179-N202 CarbonylContact O-C 3.58Å; L179-N202 VanDerWaalsContact O-C 3.26Å; L179-L203 HydrophobicContact CB-CD1 4.44Å; L179-L203 HydrophobicContact CD2-CD1 4.05Å; L179-L203 HydrophobicContact CG-CD1 3.94Å; L179-L203 WeakPolarHBondContact O-CA 3.48Å; L179-L203 PolarHBondContact O-N 3.02Å; L179-L203 VanDerWaalsContact O-N 3.1Å
180	Q	96.6	Very high	95.3	Very high	44 Å²	44	36 Å²	36	21%	0.206	19%	0.186	C	C	.	.			trans	-113.9	-29.8	-179.6	-69.2	177.1	50.8	0	0	112.6	V156 N178 R204 F205	V156-Q180 HydrophobicContact CG1-CB 3.96Å; V156-Q180 HydrophobicContact CG1-CG 4.11Å; V156-Q180 PolarHBondContact O-N 3.28Å; N178-Q180 PolarHBondContact O-N 3.03Å; Q180-R204 HydrophobicContact CB-CG 4.32Å; Q180-R204 HydrophobicContact CG-CG 4.4Å; Q180-R204 PolarHBondContact O-N 3.43Å; Q180-F205 PolarHBondContact O-N 3.01Å
181	Y	97.4	Very high	95.1	Very high	83 Å²	83	38.7 Å²	38.7	33%	0.325	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	121	-177.5	-54	-94.6	0	0	0	110.1	V156 K157 L158 F205	V156-Y181 HydrophobicContact CG1-CD2 4.42Å; V156-Y181 PolarHBondContact O-N 3.3Å; K157-Y181 HydrophobicContact CG-CD2 3.87Å; K157-Y181 HydrophobicContact CG-CG 4.38Å; L158-Y181 PolarHBondContact N-O 3.04Å; Y181-F205 HydrophobicContact CD1-CB 3.66Å; Y181-F205 HydrophobicContact CD1-CG 4.21Å; Y181-F205 HydrophobicContact CE1-CB 4.22Å; Y181-F205 HydrophobicContact CG-CB 4.45Å
182	L	98.3	Very high	95.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	115.9	177	179	52.2	0	0	0	110.2	L158 F173 L179 L184 F197 L200 L203 F205 L206 N207	L158-L182 HydrophobicContact CB-CD1 4.04Å; L158-L182 HydrophobicContact CD2-CD1 3.86Å; L158-L182 HydrophobicContact CG-CD1 3.84Å; F173-L182 HydrophobicContact CD2-CD2 4.11Å; F173-L182 HydrophobicContact CE2-CD2 3.87Å; F173-L182 HydrophobicContact CZ-CD1 4.36Å; F173-L182 HydrophobicContact CZ-CD2 4.23Å; L179-L182 HydrophobicContact CD2-CB 4.13Å; L179-L182 HydrophobicContact CD2-CD1 4.49Å; L179-L182 HydrophobicContact CD2-CD2 4.28Å; L182-L184 HydrophobicContact CD1-CD1 4.03Å; L182-L184 HydrophobicContact CD1-CD2 4.42Å; L182-L184 HydrophobicContact CD1-CG 3.92Å; L182-L184 HydrophobicContact CD2-CD1 3.93Å; L182-L184 HydrophobicContact CG-CD1 3.84Å; L182-L184 HydrophobicContact CG-CG 4.09Å; L182-F197 HydrophobicContact CD2-CD1 4.25Å; L182-F197 HydrophobicContact CD2-CE1 3.95Å; L182-L200 HydrophobicContact CD2-CD1 4.3Å; L182-L203 HydrophobicContact CB-CD1 3.83Å; L182-L203 HydrophobicContact CB-CD2 4.44Å; L182-F205 PolarHBondContact N-O 2.85Å; L182-L206 HydrophobicContact CB-CD1 4.09Å; L182-L206 HydrophobicContact CD2-CD1 3.94Å; L182-L206 HydrophobicContact CG-CD1 3.91Å; L182-N207 PolarHBondContact O-N 2.92Å
183	H	97.8	Very high	95	Very high	36 Å²	36	41.4 Å²	41.4	17%	0.167	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	121.1	176	-67.2	-105.2	0	0	0	109.9	L158 R159 L160 D161 E185 F205	L158-H183 PolarHBondContact O-N 3.09Å; R159-H183 HydrophobicContact CB-CB 4.39Å; R159-H183 HydrophobicContact CG-CB 3.93Å; L160-H183 PolarHBondContact N-O 2.8Å; D161-H183 HydrophobicContact CB-CB 4.31Å; D161-H183 PolarHBondContact N-O 2.57Å; D161-H183 WeakPolarHBondContact OD1-CB 3.2Å; H183-E185 VanDerWaalsContact C-OE2 3.31Å; H183-E185 WeakPolarHBondContact CA-OE2 3.32Å; H183-E185 WeakPolarHBondContact CB-OE2 3.44Å; H183-E185 IonicContact CE1-OE1 3.97Å; H183-E185 IonicContact CG-OE1 3.67Å; H183-E185 IonicContact CG-OE2 2.64Å; H183-E185 IonicContact ND1-OE1 3.16Å; H183-E185 PolarHBondContact ND1-OE1 3.34Å; H183-E185 IonicContact ND1-OE2 2.66Å; H183-F205 AromaticContact CE1-CE1 3.38Å; H183-F205 WeakPolarHBondContact CE1-CE1 3.38Å; H183-F205 AromaticContact CE1-CZ 3.99Å; H183-F205 AromaticContact ND1-CE1 3.8Å; H183-F205 AromaticContact NE2-CD1 3.94Å; H183-F205 AromaticContact NE2-CE1 3.6Å
184	L	97.9	Very high	94.7	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.228	C	C	.	.			trans	-136.1	13.8	-179.2	-70.2	167.2	0	0	0	111.2	L160 L165 L168 F173 L182 N187 L189 F197 N207 L208 N211	L160-L184 HydrophobicContact CB-CD2 3.97Å; L160-L184 HydrophobicContact CD1-CD2 4.32Å; L165-L184 HydrophobicContact CD1-CD2 3.85Å; L168-L184 HydrophobicContact CD1-CD1 3.94Å; L168-L184 HydrophobicContact CD2-CD1 4.29Å; L168-L184 HydrophobicContact CD2-CD2 4.49Å; F173-L184 HydrophobicContact CE2-CD1 4.28Å; F173-L184 HydrophobicContact CZ-CD1 4.22Å; F173-L184 HydrophobicContact CZ-CD2 4.48Å; L182-L184 HydrophobicContact CD1-CD1 4.03Å; L182-L184 HydrophobicContact CD1-CD2 4.42Å; L182-L184 HydrophobicContact CD1-CG 3.92Å; L182-L184 HydrophobicContact CD2-CD1 3.93Å; L182-L184 HydrophobicContact CG-CD1 3.84Å; L182-L184 HydrophobicContact CG-CG 4.09Å; L184-N187 PolarHBondContact O-ND2 2.84Å; L184-L189 HydrophobicContact CB-CD1 4.39Å; L184-F197 HydrophobicContact CD1-CE1 4.4Å; L184-N207 WeakPolarHBondContact CB-O 3.38Å; L184-N207 PolarHBondContact N-O 3.11Å; L184-L208 HydrophobicContact CB-CD2 3.93Å; L184-L208 HydrophobicContact CD1-CD2 3.99Å; L184-N211 PolarHBondContact O-ND2 3.12Å
185	E	97.5	Very high	94.6	Very high	18 Å²	18	48 Å²	48	8%	0.084	23%	0.23	C	C	.	.			trans	-65.2	161	178	60	-88.5	-134.8	0	0	112.7	D161 G162 H183 N187 N207 A209	D161-E185 CarbonylContact C-O 3.13Å; D161-E185 WeakPolarHBondContact CA-O 3.34Å; D161-E185 HydrophobicContact CB-CG 3.7Å; D161-E185 WeakPolarHBondContact CB-O 3.41Å; G162-E185 PolarHBondContact N-O 3.18Å; H183-E185 VanDerWaalsContact C-OE2 3.31Å; H183-E185 WeakPolarHBondContact CA-OE2 3.32Å; H183-E185 WeakPolarHBondContact CB-OE2 3.44Å; H183-E185 IonicContact CE1-OE1 3.97Å; H183-E185 IonicContact CG-OE1 3.67Å; H183-E185 IonicContact CG-OE2 2.64Å; H183-E185 IonicContact ND1-OE1 3.16Å; H183-E185 PolarHBondContact ND1-OE1 3.34Å; H183-E185 IonicContact ND1-OE2 2.66Å; E185-N187 PolarHBondContact O-N 3.06Å; E185-N187 PolarHBondContact O-ND2 2.89Å; E185-N187 VanDerWaalsContact O-ND2 3.07Å; E185-N207 VanDerWaalsContact CD-CG 3.48Å; E185-N207 WeakPolarHBondContact CG-ND2 3.29Å; E185-N207 PolarHBondContact OE1-ND2 3.04Å; E185-N207 WeakPolarHBondContact OE2-CB 3.22Å; E185-N207 PolarHBondContact OE2-ND2 2.94Å; E185-A209 CarbonylContact C-O 3.57Å; E185-A209 WeakPolarHBondContact CA-O 3.11Å; E185-A209 HydrophobicContact CB-CB 4.3Å; E185-A209 WeakPolarHBondContact CB-O 3.45Å
186	H	97	Very high	94.7	Very high	104 Å²	104	46.2 Å²	46.2	48%	0.481	22%	0.217	S	C	.	.	S	Bend	trans	53.2	55.4	-178.1	-60.6	92	0	0	0	112.3	G162 N163 A209 H210	G162-H186 CarbonylContact C-O 3.4Å; G162-H186 VanDerWaalsContact CA-O 3.24Å; G162-H186 WeakPolarHBondContact CA-O 3.36Å; G162-H186 PolarHBondContact N-O 2.96Å; N163-H186 PolarHBondContact N-O 3.24Å; N163-H186 VanDerWaalsContact N-O 3.11Å; H186-A209 PolarHBondContact N-O 3.13Å; H186-H210 VanDerWaalsContact CA-O 3.27Å; H186-H210 WeakPolarHBondContact CA-O 3.45Å; H186-H210 AromaticContact CD2-CG 3.81Å; H186-H210 AromaticContact CE1-CD2 3.22Å; H186-H210 PolarHBondContact CE1-CD2 2.79Å; H186-H210 AromaticContact CE1-CG 3.75Å; H186-H210 AromaticContact CE1-NE2 3.63Å; H186-H210 PolarHBondContact N-O 3.1Å; H186-H210 AromaticContact ND1-CD2 3.74Å; H186-H210 AromaticContact NE2-CD2 3.44Å; H186-H210 PolarHBondContact NE2-CD2 3.32Å; H186-H210 AromaticContact NE2-CE1 3.99Å; H186-H210 AromaticContact NE2-CG 3.49Å; H186-H210 AromaticContact NE2-ND1 3.85Å; H186-H210 AromaticContact NE2-NE2 3.8Å
187	N	98	Very high	94.6	Very high	10 Å²	10	46.3 Å²	46.3	5%	0.053	22%	0.217	C	C	.	.	S	Bend	trans	-131.3	-167.9	178.3	-91	-84.3	0	0	0	109.9	L160 N163 S164 L165 L184 E185 L189 H210 N211	L160-N187 PolarHBondContact O-ND2 2.87Å; N163-N187 WeakPolarHBondContact CA-OD1 3.26Å; N163-N187 WeakPolarHBondContact CB-OD1 3.32Å; N163-N187 PolarHBondContact O-OD1 3.31Å; S164-N187 PolarHBondContact N-OD1 3.33Å; L165-N187 HydrophobicContact CB-CB 4.42Å; L165-N187 VanDerWaalsContact CB-OD1 3.27Å; L165-N187 WeakPolarHBondContact CB-OD1 3.43Å; L165-N187 VanDerWaalsContact CG-OD1 3.31Å; L165-N187 WeakPolarHBondContact CG-OD1 3.36Å; L165-N187 PolarHBondContact N-OD1 3.1Å; L184-N187 PolarHBondContact O-ND2 2.84Å; E185-N187 PolarHBondContact O-N 3.06Å; E185-N187 PolarHBondContact O-ND2 2.89Å; E185-N187 VanDerWaalsContact O-ND2 3.07Å; N187-L189 HydrophobicContact CB-CG 4.34Å; N187-H210 PolarHBondContact N-O 3.24Å; N187-H210 VanDerWaalsContact N-O 3.15Å; N187-N211 WeakPolarHBondContact CA-OD1 3.27Å; N187-N211 WeakPolarHBondContact CB-OD1 3.3Å; N187-N211 PolarHBondContact O-OD1 2.96Å
188	K	97.2	Very high	94.6	Very high	93 Å²	93	46.3 Å²	46.3	40%	0.404	21%	0.211	S	C	.	.			trans	-120.5	27.5	-175.8	-65.9	167.1	-175.3	162.3	0	111.4	S164 L165 E166 H190 N211	S164-K188 PolarHBondContact OG-NZ 3.34Å; L165-K188 CarbonylContact O-C 3.58Å; L165-K188 VanDerWaalsContact O-CA 3.26Å; L165-K188 WeakPolarHBondContact O-CA 3.37Å; L165-K188 PolarHBondContact O-N 2.81Å; E166-K188 WeakPolarHBondContact CA-O 3.01Å; E166-K188 HydrophobicContact CG-CB 4.46Å; K188-H190 PolarHBondContact O-CD2 3.48Å; K188-H190 PolarHBondContact O-N 3.26Å; K188-N211 PolarHBondContact N-OD1 2.91Å
189	L	96.8	Very high	94.3	Very high	0 Å²	0	49 Å²	49	0%	0	22%	0.219	C	C	.	.			trans	-66.9	109.2	-173.1	-63.9	175.7	0	0	0	110.3	L165 E166 L168 L184 N187 L208 N211 K212 L213	L165-L189 HydrophobicContact CB-CD2 3.86Å; L165-L189 WeakPolarHBondContact O-CD2 3.43Å; L165-L189 PolarHBondContact O-N 2.6Å; L165-L189 VanDerWaalsContact O-N 3.11Å; E166-L189 WeakPolarHBondContact O-CA 3.05Å; L168-L189 HydrophobicContact CD1-CD1 4.07Å; L168-L189 HydrophobicContact CD2-CD1 4.17Å; L168-L189 HydrophobicContact CD2-CD2 3.91Å; L168-L189 HydrophobicContact CG-CD1 3.96Å; L168-L189 HydrophobicContact CG-CD2 3.82Å; L184-L189 HydrophobicContact CB-CD1 4.39Å; N187-L189 HydrophobicContact CB-CG 4.34Å; L189-L208 HydrophobicContact CD1-CD2 3.87Å; L189-N211 HydrophobicContact CB-CB 4.36Å; L189-N211 WeakPolarHBondContact CB-OD1 3.17Å; L189-N211 VanDerWaalsContact CG-OD1 3.3Å; L189-N211 WeakPolarHBondContact CG-OD1 3.44Å; L189-N211 PolarHBondContact N-OD1 2.92Å; L189-K212 CarbonylContact O-C 3.5Å; L189-K212 WeakPolarHBondContact O-CA 3.37Å; L189-K212 PolarHBondContact O-N 3.02Å; L189-L213 HydrophobicContact CB-CD2 4.23Å; L189-L213 WeakPolarHBondContact O-CD2 3.36Å; L189-L213 PolarHBondContact O-N 3.17Å; L189-L213 VanDerWaalsContact O-N 3.11Å
190	H	93.8	Very high	94.2	Very high	82 Å²	82	49 Å²	49	38%	0.38	22%	0.22	S	C	.	.			trans	-86.3	-33.7	175.8	-73.4	-75.6	0	0	0	112.4	E166 K188 K212	E166-H190 PolarHBondContact O-N 3.14Å; E166-H190 VanDerWaalsContact O-N 3.08Å; K188-H190 PolarHBondContact O-CD2 3.48Å; K188-H190 PolarHBondContact O-N 3.26Å; H190-K212 WeakPolarHBondContact CA-O 3.43Å; H190-K212 WeakPolarHBondContact CE1-CD 3.46Å; H190-K212 WeakPolarHBondContact ND1-CB 3.46Å
191	H	86.4	Confident	94.1	Very high	119 Å²	119	49.6 Å²	49.6	55%	0.551	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-143.1	140.2	-177.4	-59.4	-61.5	0	0	0	111.9
192	I	90.5	Very high	94	Very high	23 Å²	23	48.8 Å²	48.8	12%	0.118	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	119.3	169.3	-61.3	169.8	0	0	0	107	L168 A196 F197 L208 L213 F222	L168-I192 HydrophobicContact CD1-CG1 4.3Å; I192-A196 HydrophobicContact CG2-CB 3.93Å; I192-F197 HydrophobicContact CD1-CE2 4.3Å; I192-F197 HydrophobicContact CG2-CD2 4.29Å; I192-F197 HydrophobicContact CG2-CE2 3.68Å; I192-F197 HydrophobicContact CG2-CZ 4.22Å; I192-L208 HydrophobicContact CD1-CD1 3.75Å; I192-L208 HydrophobicContact CD1-CD2 4.37Å; I192-L213 HydrophobicContact CD1-CD1 3.82Å; I192-L213 HydrophobicContact CD1-CD2 3.99Å; I192-L213 HydrophobicContact CG1-CD1 4.49Å; I192-L213 HydrophobicContact CG1-CD2 3.75Å; I192-F222 HydrophobicContact CD1-CZ 4.47Å
193	H	90.2	Very high	94	Very high	77 Å²	77	48.8 Å²	48.8	36%	0.356	23%	0.228	S	C	.	.			trans	-72.8	153.4	178.9	-154.5	-106.5	0	0	0	112.4	L168 D170 N195 A196	L168-H193 WeakPolarHBondContact O-CB 3.47Å; L168-H193 PolarHBondContact O-N 3.45Å; D170-H193 IonicContact OD1-CE1 3.06Å; D170-H193 PolarHBondContact OD1-CE1 3.5Å; D170-H193 IonicContact OD1-CG 2.94Å; D170-H193 IonicContact OD1-ND1 2.94Å; D170-H193 PolarHBondContact OD1-ND1 3.41Å; D170-H193 IonicContact OD2-CE1 2.62Å; D170-H193 PolarHBondContact OD2-CE1 2.99Å; D170-H193 IonicContact OD2-ND1 3.82Å; D170-H193 PolarHBondContact OD2-ND1 3.48Å; H193-N195 PolarHBondContact O-N 3.02Å; H193-A196 WeakPolarHBondContact O-CB 3.06Å; H193-A196 PolarHBondContact O-N 2.75Å
194	R	88.5	Confident	93.9	Very high	127 Å²	127	52.7 Å²	52.7	48%	0.479	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-26.3	-169.7	69.4	-172.3	168.2	-179.1	-5.8	115.2	N218 L220	R194-N218 WeakPolarHBondContact CB-ND2 3.35Å; R194-L220 HydrophobicContact CB-CB 4.1Å; R194-L220 HydrophobicContact CB-CD1 4.32Å; R194-L220 CarbonylContact O-C 3.53Å
195	N	90.5	Very high	93.9	Very high	42 Å²	42	54.6 Å²	54.6	23%	0.225	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.8	20.4	-179.8	-59.6	-37.4	0	0	0	113.1	D170 S171 H193 F197 L198	D170-N195 WeakPolarHBondContact OD2-CB 3.44Å; D170-N195 PolarHBondContact OD2-ND2 2.93Å; S171-N195 PolarHBondContact N-O 3.15Å; H193-N195 PolarHBondContact O-N 3.02Å; N195-F197 VanDerWaalsContact C-N 3.28Å; N195-F197 PolarHBondContact O-N 3.49Å; N195-L198 HydrophobicContact CB-CB 4.38Å; N195-L198 WeakPolarHBondContact O-CB 3.32Å; N195-L198 PolarHBondContact O-N 2.03Å
196	A	92.8	Very high	94	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-38.8	-179.1	0	0	0	0	0	112.6	L168 Q169 I192 H193	L168-A196 HydrophobicContact CB-CB 3.86Å; Q169-A196 WeakPolarHBondContact O-CA 3.44Å; I192-A196 HydrophobicContact CG2-CB 3.93Å; H193-A196 WeakPolarHBondContact O-CB 3.06Å; H193-A196 PolarHBondContact O-N 2.75Å
197	F	94.5	Very high	94	Very high	3 Å²	3	49.6 Å²	49.6	1%	0.013	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	29.4	179.2	-52.7	-55.8	0	0	0	113.5	L168 F173 L182 L184 I192 N195 L200 L206 L208 S221 F222 L225	L168-F197 HydrophobicContact CD1-CE1 3.87Å; L168-F197 HydrophobicContact CD1-CZ 3.69Å; F173-F197 AromaticContact CD2-CD1 3.94Å; F173-F197 HydrophobicContact CD2-CD1 3.94Å; F173-F197 HydrophobicContact CD2-CE1 4.22Å; F173-F197 HydrophobicContact CE2-CD1 4.17Å; F173-F197 AromaticContact CE2-CE1 3.97Å; F173-F197 HydrophobicContact CE2-CE1 3.97Å; L182-F197 HydrophobicContact CD2-CD1 4.25Å; L182-F197 HydrophobicContact CD2-CE1 3.95Å; L184-F197 HydrophobicContact CD1-CE1 4.4Å; I192-F197 HydrophobicContact CD1-CE2 4.3Å; I192-F197 HydrophobicContact CG2-CD2 4.29Å; I192-F197 HydrophobicContact CG2-CE2 3.68Å; I192-F197 HydrophobicContact CG2-CZ 4.22Å; N195-F197 VanDerWaalsContact C-N 3.28Å; N195-F197 PolarHBondContact O-N 3.49Å; F197-L200 HydrophobicContact CB-CD1 4.05Å; F197-L200 HydrophobicContact CB-CG 4.5Å; F197-L200 HydrophobicContact CD1-CD1 3.92Å; F197-L200 HydrophobicContact CG-CD1 4.44Å; F197-L200 PolarHBondContact O-N 3.01Å; F197-L206 HydrophobicContact CD2-CD2 4.4Å; F197-L206 HydrophobicContact CE1-CD1 4.25Å; F197-L206 HydrophobicContact CE1-CD2 4.31Å; F197-L206 HydrophobicContact CE2-CD2 3.93Å; F197-L206 HydrophobicContact CZ-CD1 4.25Å; F197-L206 HydrophobicContact CZ-CD2 3.88Å; F197-L208 HydrophobicContact CZ-CD1 4.24Å; F197-S221 WeakPolarHBondContact CD2-O 3.1Å; F197-F222 HydrophobicContact CD2-CD1 4.29Å; F197-F222 HydrophobicContact CE2-CD1 4.24Å; F197-F222 HydrophobicContact CE2-CE1 4.01Å; F197-L225 HydrophobicContact CB-CD1 4.5Å; F197-L225 HydrophobicContact CB-CD2 3.92Å; F197-L225 HydrophobicContact CB-CG 4.37Å; F197-L225 HydrophobicContact CD2-CD1 4.25Å; F197-L225 HydrophobicContact CG-CD1 4.48Å
198	L	92.3	Very high	94	Very high	42 Å²	42	49.1 Å²	49.1	22%	0.22	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	141	178.2	-170.1	66.3	0	0	0	111.1	N195 L200	N195-L198 HydrophobicContact CB-CB 4.38Å; N195-L198 WeakPolarHBondContact O-CB 3.32Å; N195-L198 PolarHBondContact O-N 2.03Å; L198-L200 PolarHBondContact O-N 3.38Å; L198-L200 VanDerWaalsContact O-N 3.1Å
199	K	88.8	Confident	94.1	Very high	125 Å²	125	44.8 Å²	44.8	54%	0.543	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	0	-174.8	-58.1	-168.3	-170.4	174.3	0	117.7	T174 T201	T174-K199 HydrophobicContact CG2-CD 3.69Å; T174-K199 HydrophobicContact CG2-CG 4.08Å; K199-T201 PolarHBondContact O-N 3.23Å
200	L	95.1	Very high	94.1	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	22%	0.219	C	C	.	.			trans	-75	54.3	178.1	-61	-169.7	0	0	0	113.7	F173 L176 L179 L182 F197 L198 N202 L203 L225	F173-L200 HydrophobicContact CB-CD1 3.88Å; F173-L200 HydrophobicContact CB-CD2 4.01Å; F173-L200 HydrophobicContact CB-CG 4.2Å; F173-L200 HydrophobicContact CD2-CD1 4.22Å; F173-L200 HydrophobicContact CG-CD1 4.36Å; L176-L200 HydrophobicContact CB-CD2 4.16Å; L176-L200 WeakPolarHBondContact O-CD2 3.33Å; L179-L200 HydrophobicContact CB-CD2 4.29Å; L179-L200 HydrophobicContact CD2-CD1 4.35Å; L179-L200 HydrophobicContact CD2-CD2 4.27Å; L182-L200 HydrophobicContact CD2-CD1 4.3Å; F197-L200 HydrophobicContact CB-CD1 4.05Å; F197-L200 HydrophobicContact CB-CG 4.5Å; F197-L200 HydrophobicContact CD1-CD1 3.92Å; F197-L200 HydrophobicContact CG-CD1 4.44Å; F197-L200 PolarHBondContact O-N 3.01Å; L198-L200 PolarHBondContact O-N 3.38Å; L198-L200 VanDerWaalsContact O-N 3.1Å; L200-N202 VanDerWaalsContact C-N 3.32Å; L200-N202 PolarHBondContact O-N 3.45Å; L200-L203 HydrophobicContact CB-CB 4.26Å; L200-L203 HydrophobicContact CD1-CD2 4.26Å; L200-L203 PolarHBondContact O-N 3.34Å; L200-L225 HydrophobicContact CB-CD2 3.72Å; L200-L225 WeakPolarHBondContact O-CD2 3.48Å
201	T	94.3	Very high	94.3	Very high	56 Å²	56	44.2 Å²	44.2	34%	0.344	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-22.6	-175.5	53.9	0	0	0	0	113.9	K199 S227	K199-T201 PolarHBondContact O-N 3.23Å; T201-S227 WeakPolarHBondContact O-CB 3.34Å; T201-S227 PolarHBondContact O-N 3.21Å; T201-S227 PolarHBondContact O-OG 2.99Å
202	N	96.4	Very high	94.8	Very high	67 Å²	67	42.7 Å²	42.7	36%	0.358	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-7.9	179.3	-74	-43.3	0	0	0	114	A177 L179 L200 R204	A177-N202 PolarHBondContact O-ND2 2.98Å; L179-N202 CarbonylContact O-C 3.58Å; L179-N202 VanDerWaalsContact O-C 3.26Å; L200-N202 VanDerWaalsContact C-N 3.32Å; L200-N202 PolarHBondContact O-N 3.45Å; N202-R204 WeakPolarHBondContact O-CG 3.38Å; N202-R204 PolarHBondContact O-N 2.89Å
203	L	97.8	Very high	95.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	19%	0.191	C	C	.	.			trans	-62	129	-176.1	-164	71.9	0	0	0	110.8	L179 L182 L200 L206 L225 S227 L228	L179-L203 HydrophobicContact CB-CD1 4.44Å; L179-L203 HydrophobicContact CD2-CD1 4.05Å; L179-L203 HydrophobicContact CG-CD1 3.94Å; L179-L203 WeakPolarHBondContact O-CA 3.48Å; L179-L203 PolarHBondContact O-N 3.02Å; L179-L203 VanDerWaalsContact O-N 3.1Å; L182-L203 HydrophobicContact CB-CD1 3.83Å; L182-L203 HydrophobicContact CB-CD2 4.44Å; L200-L203 HydrophobicContact CB-CB 4.26Å; L200-L203 HydrophobicContact CD1-CD2 4.26Å; L200-L203 PolarHBondContact O-N 3.34Å; L203-L206 HydrophobicContact CD2-CB 4.03Å; L203-L206 HydrophobicContact CD2-CD2 4.33Å; L203-L225 HydrophobicContact CB-CD2 4.13Å; L203-L225 HydrophobicContact CD2-CD1 4.42Å; L203-L225 HydrophobicContact CD2-CD2 3.77Å; L203-S227 CarbonylContact O-C 3.19Å; L203-L228 HydrophobicContact CB-CD1 4.46Å; L203-L228 HydrophobicContact CD2-CD1 4.08Å; L203-L228 HydrophobicContact CG-CD1 4.05Å; L203-L228 VanDerWaalsContact O-CA 3.23Å; L203-L228 WeakPolarHBondContact O-CA 3.41Å; L203-L228 PolarHBondContact O-N 3.46Å
204	R	96.4	Very high	95.4	Very high	118 Å²	118	40.2 Å²	40.2	45%	0.445	19%	0.188	S	C	.	.			trans	-109.2	-40.1	-178.3	-56.7	-175.6	-176.6	-176.8	3.9	111.4	Q180 N202 T229 V230	Q180-R204 HydrophobicContact CB-CG 4.32Å; Q180-R204 HydrophobicContact CG-CG 4.4Å; Q180-R204 PolarHBondContact O-N 3.43Å; N202-R204 WeakPolarHBondContact O-CG 3.38Å; N202-R204 PolarHBondContact O-N 2.89Å; R204-T229 PolarHBondContact O-N 3.31Å; R204-T229 PolarHBondContact O-OG1 3.17Å; R204-T229 VanDerWaalsContact O-OG1 3.07Å; R204-V230 PolarHBondContact O-N 3.41Å
205	F	98	Very high	95.6	Very high	40 Å²	40	36.3 Å²	36.3	18%	0.175	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	127.1	-178	-179.9	-85.8	0	0	0	110.3	Q180 Y181 L182 H183 N207 V230 L232	Q180-F205 PolarHBondContact O-N 3.01Å; Y181-F205 HydrophobicContact CD1-CB 3.66Å; Y181-F205 HydrophobicContact CD1-CG 4.21Å; Y181-F205 HydrophobicContact CE1-CB 4.22Å; Y181-F205 HydrophobicContact CG-CB 4.45Å; L182-F205 PolarHBondContact N-O 2.85Å; H183-F205 AromaticContact CE1-CE1 3.38Å; H183-F205 WeakPolarHBondContact CE1-CE1 3.38Å; H183-F205 AromaticContact CE1-CZ 3.99Å; H183-F205 AromaticContact ND1-CE1 3.8Å; H183-F205 AromaticContact NE2-CD1 3.94Å; H183-F205 AromaticContact NE2-CE1 3.6Å; F205-N207 HydrophobicContact CE1-CB 3.6Å; F205-N207 HydrophobicContact CZ-CB 3.86Å; F205-V230 HydrophobicContact CD2-CB 3.81Å; F205-V230 HydrophobicContact CD2-CG1 3.85Å; F205-V230 HydrophobicContact CD2-CG2 4.38Å; F205-V230 HydrophobicContact CE2-CB 4.38Å; F205-V230 HydrophobicContact CE2-CG1 3.91Å; F205-L232 HydrophobicContact CE2-CD1 4.11Å; F205-L232 HydrophobicContact CZ-CD1 3.99Å
206	L	98.4	Very high	95.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	116.8	172.9	177	54.3	0	0	0	109.3	L182 F197 L203 L208 F222 L225 L228 V230 L231 L232	L182-L206 HydrophobicContact CB-CD1 4.09Å; L182-L206 HydrophobicContact CD2-CD1 3.94Å; L182-L206 HydrophobicContact CG-CD1 3.91Å; F197-L206 HydrophobicContact CD2-CD2 4.4Å; F197-L206 HydrophobicContact CE1-CD1 4.25Å; F197-L206 HydrophobicContact CE1-CD2 4.31Å; F197-L206 HydrophobicContact CE2-CD2 3.93Å; F197-L206 HydrophobicContact CZ-CD1 4.25Å; F197-L206 HydrophobicContact CZ-CD2 3.88Å; L203-L206 HydrophobicContact CD2-CB 4.03Å; L203-L206 HydrophobicContact CD2-CD2 4.33Å; L206-L208 HydrophobicContact CD1-CD1 4.2Å; L206-L208 HydrophobicContact CD1-CG 4.05Å; L206-L208 HydrophobicContact CD2-CD1 3.94Å; L206-L208 HydrophobicContact CG-CD1 3.93Å; L206-L208 HydrophobicContact CG-CG 4.16Å; L206-F222 HydrophobicContact CD2-CE1 4.42Å; L206-L225 HydrophobicContact CD2-CD1 3.78Å; L206-L228 HydrophobicContact CB-CD1 3.83Å; L206-V230 PolarHBondContact N-O 3.16Å; L206-V230 VanDerWaalsContact N-O 3.11Å; L206-L231 HydrophobicContact CB-CD1 4.12Å; L206-L231 HydrophobicContact CD2-CD1 3.96Å; L206-L231 HydrophobicContact CG-CD1 3.97Å; L206-L232 PolarHBondContact O-N 3.4Å
207	N	98.1	Very high	95.8	Very high	16 Å²	16	38.4 Å²	38.4	9%	0.086	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	125.7	172.2	-168	4.2	0	0	0	110.8	L182 L184 E185 F205 A209 L232	L182-N207 PolarHBondContact O-N 2.92Å; L184-N207 WeakPolarHBondContact CB-O 3.38Å; L184-N207 PolarHBondContact N-O 3.11Å; E185-N207 VanDerWaalsContact CD-CG 3.48Å; E185-N207 WeakPolarHBondContact CG-ND2 3.29Å; E185-N207 PolarHBondContact OE1-ND2 3.04Å; E185-N207 WeakPolarHBondContact OE2-CB 3.22Å; E185-N207 PolarHBondContact OE2-ND2 2.94Å; F205-N207 HydrophobicContact CE1-CB 3.6Å; F205-N207 HydrophobicContact CZ-CB 3.86Å; N207-A209 WeakPolarHBondContact OD1-CB 3.29Å; N207-A209 PolarHBondContact OD1-N 3.45Å; N207-L232 HydrophobicContact CB-CB 4.41Å; N207-L232 HydrophobicContact CB-CD1 4.4Å; N207-L232 WeakPolarHBondContact OD1-CB 3.48Å
208	L	97.9	Very high	95.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.212	C	C	.	.			trans	-129.7	17.8	178.9	-71.5	161.7	0	0	0	110.6	L184 L189 I192 F197 L206 N211 L213 F222 L232 L233 N236	L184-L208 HydrophobicContact CB-CD2 3.93Å; L184-L208 HydrophobicContact CD1-CD2 3.99Å; L189-L208 HydrophobicContact CD1-CD2 3.87Å; I192-L208 HydrophobicContact CD1-CD1 3.75Å; I192-L208 HydrophobicContact CD1-CD2 4.37Å; F197-L208 HydrophobicContact CZ-CD1 4.24Å; L206-L208 HydrophobicContact CD1-CD1 4.2Å; L206-L208 HydrophobicContact CD1-CG 4.05Å; L206-L208 HydrophobicContact CD2-CD1 3.94Å; L206-L208 HydrophobicContact CG-CD1 3.93Å; L206-L208 HydrophobicContact CG-CG 4.16Å; L208-N211 WeakPolarHBondContact O-CB 3.41Å; L208-N211 PolarHBondContact O-ND2 3.41Å; L208-L213 HydrophobicContact CB-CD1 4.45Å; L208-F222 HydrophobicContact CD1-CE1 4.37Å; L208-L232 PolarHBondContact N-O 3.5Å; L208-L233 HydrophobicContact CB-CD2 3.86Å; L208-L233 HydrophobicContact CD1-CD2 3.87Å; L208-N236 PolarHBondContact O-ND2 3.45Å
209	A	97.7	Very high	95.7	Very high	3 Å²	3	42.2 Å²	42.2	3%	0.025	22%	0.22	C	C	.	.			trans	-66.1	161.6	-178.3	0	0	0	0	0	113.1	E185 H186 N207 N211 S234	E185-A209 CarbonylContact C-O 3.57Å; E185-A209 WeakPolarHBondContact CA-O 3.11Å; E185-A209 HydrophobicContact CB-CB 4.3Å; E185-A209 WeakPolarHBondContact CB-O 3.45Å; H186-A209 PolarHBondContact N-O 3.13Å; N207-A209 WeakPolarHBondContact OD1-CB 3.29Å; N207-A209 PolarHBondContact OD1-N 3.45Å; A209-N211 PolarHBondContact O-N 2.92Å; A209-N211 PolarHBondContact O-ND2 2.87Å; A209-S234 CarbonylContact C-O 3.26Å; A209-S234 WeakPolarHBondContact CA-O 3.1Å; A209-S234 WeakPolarHBondContact CB-O 3.28Å; A209-S234 WeakPolarHBondContact CB-OG 3.19Å
210	H	97.6	Very high	95.8	Very high	61 Å²	61	40.1 Å²	40.1	28%	0.282	21%	0.214	S	C	.	.	S	Bend	trans	50.9	58.1	-179.8	-41.8	-89.7	0	0	0	111.6	H186 N187 S234 E235	H186-H210 VanDerWaalsContact CA-O 3.27Å; H186-H210 WeakPolarHBondContact CA-O 3.45Å; H186-H210 AromaticContact CD2-CG 3.81Å; H186-H210 AromaticContact CE1-CD2 3.22Å; H186-H210 PolarHBondContact CE1-CD2 2.79Å; H186-H210 AromaticContact CE1-CG 3.75Å; H186-H210 AromaticContact CE1-NE2 3.63Å; H186-H210 PolarHBondContact N-O 3.1Å; H186-H210 AromaticContact ND1-CD2 3.74Å; H186-H210 AromaticContact NE2-CD2 3.44Å; H186-H210 PolarHBondContact NE2-CD2 3.32Å; H186-H210 AromaticContact NE2-CE1 3.99Å; H186-H210 AromaticContact NE2-CG 3.49Å; H186-H210 AromaticContact NE2-ND1 3.85Å; H186-H210 AromaticContact NE2-NE2 3.8Å; N187-H210 PolarHBondContact N-O 3.24Å; N187-H210 VanDerWaalsContact N-O 3.15Å; H210-S234 PolarHBondContact N-O 3.17Å; H210-S234 VanDerWaalsContact N-O 3.07Å; H210-E235 CarbonylContact C-O 3.49Å; H210-E235 WeakPolarHBondContact CA-O 3.1Å; H210-E235 IonicContact CE1-OE1 3.18Å; H210-E235 PolarHBondContact CE1-OE1 2.94Å; H210-E235 IonicContact CE1-OE2 3.84Å; H210-E235 PolarHBondContact CE1-OE2 3.15Å; H210-E235 IonicContact CG-OE2 3.92Å; H210-E235 PolarHBondContact N-O 2.77Å; H210-E235 VanDerWaalsContact N-O 3.1Å; H210-E235 VanDerWaalsContact ND1-CD 3.25Å; H210-E235 IonicContact ND1-OE1 2.74Å; H210-E235 IonicContact ND1-OE2 2.67Å; H210-E235 PolarHBondContact ND1-OE2 2.98Å
211	N	98.2	Very high	95.6	Very high	9 Å²	9	40.8 Å²	40.8	5%	0.048	22%	0.219	C	C	.	.	S	Bend	trans	-135.8	-166.9	-179.9	-90.4	-83.4	0	0	0	109.6	L184 N187 K188 L189 L208 A209 E235 N236	L184-N211 PolarHBondContact O-ND2 3.12Å; N187-N211 WeakPolarHBondContact CA-OD1 3.27Å; N187-N211 WeakPolarHBondContact CB-OD1 3.3Å; N187-N211 PolarHBondContact O-OD1 2.96Å; K188-N211 PolarHBondContact N-OD1 2.91Å; L189-N211 HydrophobicContact CB-CB 4.36Å; L189-N211 WeakPolarHBondContact CB-OD1 3.17Å; L189-N211 VanDerWaalsContact CG-OD1 3.3Å; L189-N211 WeakPolarHBondContact CG-OD1 3.44Å; L189-N211 PolarHBondContact N-OD1 2.92Å; L208-N211 WeakPolarHBondContact O-CB 3.41Å; L208-N211 PolarHBondContact O-ND2 3.41Å; A209-N211 PolarHBondContact O-N 2.92Å; A209-N211 PolarHBondContact O-ND2 2.87Å; N211-E235 PolarHBondContact N-O 3.09Å; N211-N236 WeakPolarHBondContact CA-OD1 3.46Å; N211-N236 WeakPolarHBondContact CB-OD1 3.46Å; N211-N236 PolarHBondContact O-OD1 3.3Å
212	K	97.5	Very high	95.6	Very high	86 Å²	86	38.2 Å²	38.2	37%	0.374	20%	0.203	S	C	.	.			trans	-126.4	29.1	-171.7	-58.5	-163.1	171.4	-154.8	0	113.6	L189 H190 S214 N236	L189-K212 CarbonylContact O-C 3.5Å; L189-K212 WeakPolarHBondContact O-CA 3.37Å; L189-K212 PolarHBondContact O-N 3.02Å; H190-K212 WeakPolarHBondContact CA-O 3.43Å; H190-K212 WeakPolarHBondContact CE1-CD 3.46Å; H190-K212 WeakPolarHBondContact ND1-CB 3.46Å; K212-S214 PolarHBondContact O-N 3.26Å; K212-N236 PolarHBondContact N-OD1 3.44Å
213	L	96.8	Very high	95.4	Very high	5 Å²	5	35.7 Å²	35.7	3%	0.026	19%	0.191	C	C	.	.			trans	-66.6	123.7	-179.1	-59.3	172.9	0	0	0	109.5	L189 I192 L208 L233 N236 E237 I238	L189-L213 HydrophobicContact CB-CD2 4.23Å; L189-L213 WeakPolarHBondContact O-CD2 3.36Å; L189-L213 PolarHBondContact O-N 3.17Å; L189-L213 VanDerWaalsContact O-N 3.11Å; I192-L213 HydrophobicContact CD1-CD1 3.82Å; I192-L213 HydrophobicContact CD1-CD2 3.99Å; I192-L213 HydrophobicContact CG1-CD1 4.49Å; I192-L213 HydrophobicContact CG1-CD2 3.75Å; L208-L213 HydrophobicContact CB-CD1 4.45Å; L213-L233 HydrophobicContact CD1-CD2 3.76Å; L213-N236 HydrophobicContact CB-CB 4.36Å; L213-N236 VanDerWaalsContact CB-OD1 3.28Å; L213-N236 WeakPolarHBondContact CB-OD1 3.46Å; L213-N236 WeakPolarHBondContact CG-OD1 3.21Å; L213-N236 PolarHBondContact N-OD1 3.43Å; L213-E237 CarbonylContact O-C 3.26Å; L213-E237 WeakPolarHBondContact O-CA 3.21Å; L213-E237 PolarHBondContact O-N 2.88Å; L213-I238 HydrophobicContact CB-CG1 4.14Å; L213-I238 WeakPolarHBondContact O-CA 3.37Å; L213-I238 VanDerWaalsContact O-CG1 3.26Å; L213-I238 WeakPolarHBondContact O-CG1 3.43Å; L213-I238 PolarHBondContact O-N 2.83Å
214	S	95.2	Very high	95.2	Very high	43 Å²	43	38.4 Å²	38.4	30%	0.301	20%	0.203	S	C	.	.			trans	-96.7	-23.9	-170.6	49.9	0	0	0	0	115	K212 I238 R239	K212-S214 PolarHBondContact O-N 3.26Å; S214-I238 WeakPolarHBondContact O-CA 3.49Å; S214-R239 PolarHBondContact O-N 2.93Å
215	A	94.1	Very high	95.1	Very high	45 Å²	45	32.8 Å²	32.8	37%	0.372	18%	0.182	S	C	.	.			trans	-159.1	151.5	177.1	0	0	0	0	0	111.5	T217	A215-T217 HydrophobicContact CB-CG2 4.23Å
216	L	94.4	Very high	94.9	Very high	11 Å²	11	38.5 Å²	38.5	6%	0.058	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-120	82.4	174.8	-65	-178.1	0	0	0	109.3	F222 L233 I238 H240 I241 G242 V245 F246 L257	L216-F222 HydrophobicContact CD2-CE2 4.21Å; L216-F222 HydrophobicContact CD2-CZ 4.27Å; L216-L233 HydrophobicContact CD1-CD1 3.84Å; L216-I238 HydrophobicContact CD1-CD1 3.75Å; L216-I238 HydrophobicContact CD1-CG2 4.46Å; L216-I238 HydrophobicContact CG-CD1 3.98Å; L216-I238 HydrophobicContact CG-CG1 4.36Å; L216-I238 HydrophobicContact CG-CG2 4.12Å; L216-H240 PolarHBondContact N-O 3.17Å; L216-I241 HydrophobicContact CB-CG2 4.48Å; L216-I241 WeakPolarHBondContact O-CA 3.27Å; L216-G242 PolarHBondContact O-N 2.7Å; L216-V245 HydrophobicContact CB-CG1 4.42Å; L216-V245 WeakPolarHBondContact O-CG2 3.38Å; L216-F246 HydrophobicContact CD1-CZ 4.21Å; L216-L257 HydrophobicContact CD1-CD2 4.08Å
217	T	92.6	Very high	94.8	Very high	76 Å²	76	39.6 Å²	39.6	47%	0.466	21%	0.21	S	C	.	.			trans	-116.7	-11.3	-173.1	52.7	0	0	0	0	114.8	A215 H240	A215-T217 HydrophobicContact CB-CG2 4.23Å; T217-H240 WeakPolarHBondContact CG2-ND1 3.32Å
218	N	92	Very high	94.8	Very high	62 Å²	62	38.8 Å²	38.8	33%	0.332	21%	0.206	S	C	.	.			trans	-98.1	112.4	-172.7	-170	-20	0	0	0	112.1	R194 L220 S221	R194-N218 WeakPolarHBondContact CB-ND2 3.35Å; N218-L220 PolarHBondContact O-N 3.45Å; N218-L220 VanDerWaalsContact O-N 3.14Å; N218-L220 WeakPolarHBondContact OD1-CB 3.41Å; N218-L220 PolarHBondContact OD1-N 3.27Å; N218-S221 PolarHBondContact O-N 3.38Å
219	V	92.2	Very high	94.8	Very high	63 Å²	63	41.4 Å²	41.4	38%	0.382	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-29.9	178.6	-176.7	0	0	0	0	113	H244	V219-H244 HydrophobicContact CG1-CB 4.26Å; V219-H244 HydrophobicContact CG2-CB 4.04Å
220	L	91.2	Very high	94.8	Very high	80 Å²	80	42.8 Å²	42.8	42%	0.419	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-29.5	-177.2	-62.5	179.2	0	0	0	113.3	R194 N218 F222 S223	R194-L220 HydrophobicContact CB-CB 4.1Å; R194-L220 HydrophobicContact CB-CD1 4.32Å; R194-L220 CarbonylContact O-C 3.53Å; N218-L220 PolarHBondContact O-N 3.45Å; N218-L220 VanDerWaalsContact O-N 3.14Å; N218-L220 WeakPolarHBondContact OD1-CB 3.41Å; N218-L220 PolarHBondContact OD1-N 3.27Å; L220-F222 VanDerWaalsContact C-N 3.31Å; L220-F222 PolarHBondContact O-N 2.66Å; L220-F222 VanDerWaalsContact O-N 3.14Å; L220-S223 VanDerWaalsContact O-CB 3.29Å; L220-S223 WeakPolarHBondContact O-CB 3.23Å; L220-S223 PolarHBondContact O-N 3.06Å; L220-S223 PolarHBondContact O-OG 3.17Å
221	S	91.1	Very high	94.9	Very high	15 Å²	15	39.9 Å²	39.9	11%	0.105	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-38.9	-166.8	-64.6	0	0	0	0	114	F197 N218	F197-S221 WeakPolarHBondContact CD2-O 3.1Å; N218-S221 PolarHBondContact O-N 3.38Å
222	F	93.9	Very high	94.9	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.009	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	4	176.5	-52.1	-63.9	0	0	0	113.6	I192 F197 L206 L208 L216 L220 H224 L225 L233 V245 F246 L249	I192-F222 HydrophobicContact CD1-CZ 4.47Å; F197-F222 HydrophobicContact CD2-CD1 4.29Å; F197-F222 HydrophobicContact CE2-CD1 4.24Å; F197-F222 HydrophobicContact CE2-CE1 4.01Å; L206-F222 HydrophobicContact CD2-CE1 4.42Å; L208-F222 HydrophobicContact CD1-CE1 4.37Å; L216-F222 HydrophobicContact CD2-CE2 4.21Å; L216-F222 HydrophobicContact CD2-CZ 4.27Å; L220-F222 VanDerWaalsContact C-N 3.31Å; L220-F222 PolarHBondContact O-N 2.66Å; L220-F222 VanDerWaalsContact O-N 3.14Å; F222-H224 PolarHBondContact O-N 3.13Å; F222-L225 HydrophobicContact CB-CD1 4.31Å; F222-L225 HydrophobicContact CD1-CD1 3.92Å; F222-L225 PolarHBondContact O-N 2.82Å; F222-L225 VanDerWaalsContact O-N 3.08Å; F222-L233 HydrophobicContact CZ-CD1 4.38Å; F222-V245 HydrophobicContact CD2-CG1 3.83Å; F222-V245 HydrophobicContact CE2-CG1 4.03Å; F222-F246 HydrophobicContact CD2-CD1 4.11Å; F222-F246 AromaticContact CD2-CE1 3.97Å; F222-F246 HydrophobicContact CD2-CE1 3.97Å; F222-F246 AromaticContact CE2-CE1 3.93Å; F222-F246 HydrophobicContact CE2-CE1 3.93Å; F222-L249 HydrophobicContact CB-CD1 4.22Å; F222-L249 HydrophobicContact CB-CD2 4.18Å; F222-L249 HydrophobicContact CB-CG 4.49Å
223	S	92.9	Very high	94.9	Very high	15 Å²	15	37 Å²	37	11%	0.105	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-24.1	-169.6	62.7	0	0	0	0	115.6	L220 N248	L220-S223 VanDerWaalsContact O-CB 3.29Å; L220-S223 WeakPolarHBondContact O-CB 3.23Å; L220-S223 PolarHBondContact O-N 3.06Å; L220-S223 PolarHBondContact O-OG 3.17Å; S223-N248 WeakPolarHBondContact O-CB 3.49Å; S223-N248 PolarHBondContact O-ND2 3.19Å
224	H	92.8	Very high	94.9	Very high	57 Å²	57	37.8 Å²	37.8	26%	0.264	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-14.3	-178	-68.7	89	0	0	0	114	F222 R226	F222-H224 PolarHBondContact O-N 3.13Å; H224-R226 PolarHBondContact O-N 3.41Å
225	L	95.4	Very high	95	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.216	C	C	.	.			trans	-81	52.6	-170.1	-58.2	-177	0	0	0	113	F197 L200 L203 L206 F222 S227 L228 L249	F197-L225 HydrophobicContact CB-CD1 4.5Å; F197-L225 HydrophobicContact CB-CD2 3.92Å; F197-L225 HydrophobicContact CB-CG 4.37Å; F197-L225 HydrophobicContact CD2-CD1 4.25Å; F197-L225 HydrophobicContact CG-CD1 4.48Å; L200-L225 HydrophobicContact CB-CD2 3.72Å; L200-L225 WeakPolarHBondContact O-CD2 3.48Å; L203-L225 HydrophobicContact CB-CD2 4.13Å; L203-L225 HydrophobicContact CD2-CD1 4.42Å; L203-L225 HydrophobicContact CD2-CD2 3.77Å; L206-L225 HydrophobicContact CD2-CD1 3.78Å; F222-L225 HydrophobicContact CB-CD1 4.31Å; F222-L225 HydrophobicContact CD1-CD1 3.92Å; F222-L225 PolarHBondContact O-N 2.82Å; F222-L225 VanDerWaalsContact O-N 3.08Å; L225-S227 PolarHBondContact O-N 3.07Å; L225-S227 VanDerWaalsContact O-N 3.1Å; L225-L228 HydrophobicContact CB-CB 4.11Å; L225-L228 HydrophobicContact CB-CD2 4.31Å; L225-L228 HydrophobicContact CD1-CD2 3.99Å; L225-L228 WeakPolarHBondContact O-CB 3.23Å; L225-L228 PolarHBondContact O-N 2.96Å; L225-L228 VanDerWaalsContact O-N 3.13Å; L225-L249 HydrophobicContact CB-CD2 3.77Å; L225-L249 WeakPolarHBondContact O-CD2 3.24Å
226	R	93.6	Very high	95.2	Very high	159 Å²	159	38.2 Å²	38.2	60%	0.6	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-15.1	-170.9	-62.4	179.3	-175.8	179	2.1	115	H224	H224-R226 PolarHBondContact O-N 3.41Å
227	S	96.6	Very high	95.4	Very high	23 Å²	23	41 Å²	41	16%	0.161	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	3.5	178	-60.5	0	0	0	0	114.5	T201 L203 L225 T229	T201-S227 WeakPolarHBondContact O-CB 3.34Å; T201-S227 PolarHBondContact O-N 3.21Å; T201-S227 PolarHBondContact O-OG 2.99Å; L203-S227 CarbonylContact O-C 3.19Å; L225-S227 PolarHBondContact O-N 3.07Å; L225-S227 VanDerWaalsContact O-N 3.1Å; S227-T229 PolarHBondContact O-N 2.98Å
228	L	97.9	Very high	95.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.191	C	C	.	.			trans	-65.6	128.1	-174	-158.7	71.7	0	0	0	110.8	L203 L206 L225 L231 L249 K251 L252	L203-L228 HydrophobicContact CB-CD1 4.46Å; L203-L228 HydrophobicContact CD2-CD1 4.08Å; L203-L228 HydrophobicContact CG-CD1 4.05Å; L203-L228 VanDerWaalsContact O-CA 3.23Å; L203-L228 WeakPolarHBondContact O-CA 3.41Å; L203-L228 PolarHBondContact O-N 3.46Å; L206-L228 HydrophobicContact CB-CD1 3.83Å; L225-L228 HydrophobicContact CB-CB 4.11Å; L225-L228 HydrophobicContact CB-CD2 4.31Å; L225-L228 HydrophobicContact CD1-CD2 3.99Å; L225-L228 WeakPolarHBondContact O-CB 3.23Å; L225-L228 PolarHBondContact O-N 2.96Å; L225-L228 VanDerWaalsContact O-N 3.13Å; L228-L231 HydrophobicContact CD2-CB 3.91Å; L228-L231 HydrophobicContact CD2-CD1 4.33Å; L228-L231 HydrophobicContact CD2-CD2 4.27Å; L228-L231 HydrophobicContact CD2-CG 4.4Å; L228-L249 HydrophobicContact CB-CD2 4.38Å; L228-L249 HydrophobicContact CD2-CD1 4.39Å; L228-L249 HydrophobicContact CD2-CD2 4.28Å; L228-K251 CarbonylContact O-C 3.49Å; L228-L252 HydrophobicContact CB-CD1 4.29Å; L228-L252 HydrophobicContact CD2-CD1 3.98Å; L228-L252 HydrophobicContact CG-CD1 3.95Å; L228-L252 VanDerWaalsContact O-CA 3.23Å; L228-L252 WeakPolarHBondContact O-CA 3.48Å; L228-L252 PolarHBondContact O-N 2.99Å
229	T	97.4	Very high	95.9	Very high	55 Å²	55	40.9 Å²	40.9	34%	0.337	20%	0.2	S	C	.	.			trans	-110.5	-27.7	178.4	60	0	0	0	0	112.2	R204 S227 S253 K254	R204-T229 PolarHBondContact O-N 3.31Å; R204-T229 PolarHBondContact O-OG1 3.17Å; R204-T229 VanDerWaalsContact O-OG1 3.07Å; S227-T229 PolarHBondContact O-N 2.98Å; T229-S253 PolarHBondContact O-N 2.76Å; T229-K254 PolarHBondContact O-N 2.95Å
230	V	97.9	Very high	96.1	Very high	32 Å²	32	40 Å²	40	19%	0.194	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	128.7	177.6	-176.6	0	0	0	0	110.5	R204 F205 L206 L232 K254	R204-V230 PolarHBondContact O-N 3.41Å; F205-V230 HydrophobicContact CD2-CB 3.81Å; F205-V230 HydrophobicContact CD2-CG1 3.85Å; F205-V230 HydrophobicContact CD2-CG2 4.38Å; F205-V230 HydrophobicContact CE2-CB 4.38Å; F205-V230 HydrophobicContact CE2-CG1 3.91Å; L206-V230 PolarHBondContact N-O 3.16Å; L206-V230 VanDerWaalsContact N-O 3.11Å; V230-L232 HydrophobicContact CG1-CD2 3.94Å; V230-L232 HydrophobicContact CG1-CG 3.96Å; V230-K254 HydrophobicContact CG1-CB 4.34Å; V230-K254 HydrophobicContact CG1-CG 4.49Å; V230-K254 HydrophobicContact CG2-CB 4.35Å
231	L	98.4	Very high	96.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	117.8	172.7	179.2	54.3	0	0	0	109.3	L206 L228 L233 F246 L249 L252 K254 L255 S256	L206-L231 HydrophobicContact CB-CD1 4.12Å; L206-L231 HydrophobicContact CD2-CD1 3.96Å; L206-L231 HydrophobicContact CG-CD1 3.97Å; L228-L231 HydrophobicContact CD2-CB 3.91Å; L228-L231 HydrophobicContact CD2-CD1 4.33Å; L228-L231 HydrophobicContact CD2-CD2 4.27Å; L228-L231 HydrophobicContact CD2-CG 4.4Å; L231-L233 HydrophobicContact CD1-CD1 4.02Å; L231-L233 HydrophobicContact CD1-CG 4.1Å; L231-L233 HydrophobicContact CD2-CD1 3.8Å; L231-L233 HydrophobicContact CG-CD1 3.71Å; L231-L233 HydrophobicContact CG-CG 4.18Å; L231-F246 HydrophobicContact CD2-CD1 4.46Å; L231-F246 HydrophobicContact CD2-CE1 4.08Å; L231-L249 HydrophobicContact CD2-CD1 4.05Å; L231-L252 HydrophobicContact CB-CD1 3.81Å; L231-L252 HydrophobicContact CB-CD2 4.3Å; L231-K254 PolarHBondContact N-O 3.16Å; L231-L255 HydrophobicContact CB-CD1 4.13Å; L231-L255 HydrophobicContact CD2-CD1 4.04Å; L231-L255 HydrophobicContact CG-CD1 4.01Å; L231-L255 WeakPolarHBondContact O-CA 3.34Å; L231-S256 PolarHBondContact O-N 3.4Å; L231-S256 VanDerWaalsContact O-N 3.13Å
232	L	98.2	Very high	96.6	Very high	35 Å²	35	35.6 Å²	35.6	18%	0.183	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	120.5	178.5	-54.6	179	0	0	0	109.4	F205 L206 N207 L208 V230	F205-L232 HydrophobicContact CE2-CD1 4.11Å; F205-L232 HydrophobicContact CZ-CD1 3.99Å; L206-L232 PolarHBondContact O-N 3.4Å; N207-L232 HydrophobicContact CB-CB 4.41Å; N207-L232 HydrophobicContact CB-CD1 4.4Å; N207-L232 WeakPolarHBondContact OD1-CB 3.48Å; L208-L232 PolarHBondContact N-O 3.5Å; V230-L232 HydrophobicContact CG1-CD2 3.94Å; V230-L232 HydrophobicContact CG1-CG 3.96Å
233	L	98.1	Very high	96.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.183	C	C	.	.			trans	-132.1	20.2	-177.6	-74.6	157	0	0	0	110.8	L208 L213 L216 F222 L231 N236 I238 L255 S256 L257 N260	L208-L233 HydrophobicContact CB-CD2 3.86Å; L208-L233 HydrophobicContact CD1-CD2 3.87Å; L213-L233 HydrophobicContact CD1-CD2 3.76Å; L216-L233 HydrophobicContact CD1-CD1 3.84Å; F222-L233 HydrophobicContact CZ-CD1 4.38Å; L231-L233 HydrophobicContact CD1-CD1 4.02Å; L231-L233 HydrophobicContact CD1-CG 4.1Å; L231-L233 HydrophobicContact CD2-CD1 3.8Å; L231-L233 HydrophobicContact CG-CD1 3.71Å; L231-L233 HydrophobicContact CG-CG 4.18Å; L233-N236 PolarHBondContact O-ND2 3.01Å; L233-I238 HydrophobicContact CB-CD1 4.33Å; L233-L255 HydrophobicContact CD1-CD1 4.34Å; L233-S256 CarbonylContact C-O 3.54Å; L233-S256 WeakPolarHBondContact CA-O 3.44Å; L233-S256 WeakPolarHBondContact CB-O 3.49Å; L233-S256 PolarHBondContact N-O 3.27Å; L233-L257 HydrophobicContact CB-CD2 3.79Å; L233-L257 HydrophobicContact CD1-CD2 3.98Å; L233-N260 PolarHBondContact O-ND2 2.98Å
234	S	97.1	Very high	96.7	Very high	21 Å²	21	41.3 Å²	41.3	15%	0.147	20%	0.195	C	C	.	.			trans	-66.3	158.1	179.2	50.6	0	0	0	0	112.4	A209 H210 N236 S258	A209-S234 CarbonylContact C-O 3.26Å; A209-S234 WeakPolarHBondContact CA-O 3.1Å; A209-S234 WeakPolarHBondContact CB-O 3.28Å; A209-S234 WeakPolarHBondContact CB-OG 3.19Å; H210-S234 PolarHBondContact N-O 3.17Å; H210-S234 VanDerWaalsContact N-O 3.07Å; S234-N236 PolarHBondContact O-N 3.19Å; S234-N236 PolarHBondContact O-ND2 3.07Å; S234-S258 CarbonylContact C-O 3.57Å; S234-S258 WeakPolarHBondContact CA-O 3.49Å; S234-S258 VanDerWaalsContact CB-O 3.3Å; S234-S258 WeakPolarHBondContact CB-O 3.48Å
235	E	97.5	Very high	96.8	Very high	87 Å²	87	38.7 Å²	38.7	41%	0.407	18%	0.183	S	C	.	.	S	Bend	trans	51.6	60.9	178.5	-68.6	-174.9	-136.6	0	0	112.4	H210 N211 S258 N259	H210-E235 CarbonylContact C-O 3.49Å; H210-E235 WeakPolarHBondContact CA-O 3.1Å; H210-E235 IonicContact CE1-OE1 3.18Å; H210-E235 PolarHBondContact CE1-OE1 2.94Å; H210-E235 IonicContact CE1-OE2 3.84Å; H210-E235 PolarHBondContact CE1-OE2 3.15Å; H210-E235 IonicContact CG-OE2 3.92Å; H210-E235 PolarHBondContact N-O 2.77Å; H210-E235 VanDerWaalsContact N-O 3.1Å; H210-E235 VanDerWaalsContact ND1-CD 3.25Å; H210-E235 IonicContact ND1-OE1 2.74Å; H210-E235 IonicContact ND1-OE2 2.67Å; H210-E235 PolarHBondContact ND1-OE2 2.98Å; N211-E235 PolarHBondContact N-O 3.09Å; E235-S258 PolarHBondContact N-O 2.67Å; E235-N259 WeakPolarHBondContact CA-O 3.46Å; E235-N259 HydrophobicContact CG-CB 3.54Å; E235-N259 PolarHBondContact N-O 3.4Å
236	N	98.3	Very high	96.8	Very high	10 Å²	10	38.7 Å²	38.7	5%	0.053	18%	0.183	C	C	.	.	S	Bend	trans	-132.6	-178.8	174.2	-88.3	-96.9	0	0	0	109.3	L208 N211 K212 L213 L233 S234 I238 N260	L208-N236 PolarHBondContact O-ND2 3.45Å; N211-N236 WeakPolarHBondContact CA-OD1 3.46Å; N211-N236 WeakPolarHBondContact CB-OD1 3.46Å; N211-N236 PolarHBondContact O-OD1 3.3Å; K212-N236 PolarHBondContact N-OD1 3.44Å; L213-N236 HydrophobicContact CB-CB 4.36Å; L213-N236 VanDerWaalsContact CB-OD1 3.28Å; L213-N236 WeakPolarHBondContact CB-OD1 3.46Å; L213-N236 WeakPolarHBondContact CG-OD1 3.21Å; L213-N236 PolarHBondContact N-OD1 3.43Å; L233-N236 PolarHBondContact O-ND2 3.01Å; S234-N236 PolarHBondContact O-N 3.19Å; S234-N236 PolarHBondContact O-ND2 3.07Å; N236-I238 HydrophobicContact CB-CD1 4.1Å; N236-I238 HydrophobicContact CB-CG1 4.01Å; N236-N260 WeakPolarHBondContact CA-OD1 3.4Å; N236-N260 WeakPolarHBondContact CB-OD1 3.35Å; N236-N260 PolarHBondContact O-OD1 2.78Å; N236-N260 VanDerWaalsContact O-OD1 3.12Å
237	E	97.6	Very high	96.9	Very high	68 Å²	68	34.7 Å²	34.7	32%	0.318	17%	0.171	S	C	.	.			trans	-101	21.9	-177.5	-61.1	-176.7	-144	0	0	112.2	L213 R239	L213-E237 CarbonylContact O-C 3.26Å; L213-E237 WeakPolarHBondContact O-CA 3.21Å; L213-E237 PolarHBondContact O-N 2.88Å; E237-R239 PolarHBondContact O-N 3.12Å
238	I	97.9	Very high	96.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.179	C	C	.	.			trans	-68.2	122.8	-167	-57.8	164.1	0	0	0	109.7	L213 S214 L216 L233 N236 L257 N260 R261 I262	L213-I238 HydrophobicContact CB-CG1 4.14Å; L213-I238 WeakPolarHBondContact O-CA 3.37Å; L213-I238 VanDerWaalsContact O-CG1 3.26Å; L213-I238 WeakPolarHBondContact O-CG1 3.43Å; L213-I238 PolarHBondContact O-N 2.83Å; S214-I238 WeakPolarHBondContact O-CA 3.49Å; L216-I238 HydrophobicContact CD1-CD1 3.75Å; L216-I238 HydrophobicContact CD1-CG2 4.46Å; L216-I238 HydrophobicContact CG-CD1 3.98Å; L216-I238 HydrophobicContact CG-CG1 4.36Å; L216-I238 HydrophobicContact CG-CG2 4.12Å; L233-I238 HydrophobicContact CB-CD1 4.33Å; N236-I238 HydrophobicContact CB-CD1 4.1Å; N236-I238 HydrophobicContact CB-CG1 4.01Å; I238-L257 HydrophobicContact CD1-CD2 4.14Å; I238-N260 HydrophobicContact CB-CB 4.46Å; I238-N260 VanDerWaalsContact CB-OD1 3.23Å; I238-N260 WeakPolarHBondContact CB-OD1 3.26Å; I238-N260 WeakPolarHBondContact CD1-OD1 3.1Å; I238-N260 VanDerWaalsContact CG1-OD1 3.23Å; I238-N260 WeakPolarHBondContact CG1-OD1 3.37Å; I238-N260 PolarHBondContact N-OD1 3.17Å; I238-N260 VanDerWaalsContact N-OD1 3.08Å; I238-R261 CarbonylContact O-C 3.1Å; I238-R261 WeakPolarHBondContact O-CA 3.39Å; I238-R261 PolarHBondContact O-N 2.99Å; I238-I262 HydrophobicContact CB-CG1 4.19Å; I238-I262 HydrophobicContact CG2-CD1 4.41Å; I238-I262 HydrophobicContact CG2-CG1 4.01Å; I238-I262 WeakPolarHBondContact O-CA 3.46Å; I238-I262 VanDerWaalsContact O-CG1 3.22Å; I238-I262 WeakPolarHBondContact O-CG1 3.24Å; I238-I262 PolarHBondContact O-N 3.03Å
239	R	97.4	Very high	96.6	Very high	136 Å²	136	36.6 Å²	36.6	51%	0.513	18%	0.179	S	C	.	.			trans	-102.4	-30.1	177.4	-64.7	-177.5	-176	124.7	7.7	115.1	S214 E237 R261 S263 R264	S214-R239 PolarHBondContact O-N 2.93Å; E237-R239 PolarHBondContact O-N 3.12Å; R239-R261 WeakPolarHBondContact CA-O 3.33Å; R239-R261 HydrophobicContact CG-CB 3.92Å; R239-S263 PolarHBondContact O-N 3.22Å; R239-R264 PolarHBondContact O-N 2.96Å
240	H	96.4	Very high	96.5	Very high	44 Å²	44	40.3 Å²	40.3	20%	0.204	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	131.9	-172.9	177	-145.1	0	0	0	111.5	L216 T217 R264 D266	L216-H240 PolarHBondContact N-O 3.17Å; T217-H240 WeakPolarHBondContact CG2-ND1 3.32Å; H240-R264 WeakPolarHBondContact CA-O 3.27Å; H240-R264 PolarHBondContact NE2-NE 2.88Å; H240-D266 IonicContact CD2-OD1 2.98Å; H240-D266 IonicContact CE1-OD1 3.97Å; H240-D266 IonicContact CE1-OD2 2.8Å; H240-D266 IonicContact NE2-OD1 3.64Å; H240-D266 PolarHBondContact NE2-OD1 3.25Å; H240-D266 IonicContact NE2-OD2 3.26Å; H240-D266 PolarHBondContact NE2-OD2 3.46Å; H240-D266 VanDerWaalsContact NE2-OD2 3.08Å
241	I	96.7	Very high	96.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	116.2	166.2	-36.7	177.2	0	0	0	109.3	L216 F246 L257 I262 R264 V265 D266 A269 I281	L216-I241 HydrophobicContact CB-CG2 4.48Å; L216-I241 WeakPolarHBondContact O-CA 3.27Å; I241-F246 HydrophobicContact CG2-CE2 3.88Å; I241-F246 HydrophobicContact CG2-CZ 4.36Å; I241-L257 HydrophobicContact CD1-CD1 3.55Å; I241-I262 HydrophobicContact CD1-CD1 4.22Å; I241-I262 HydrophobicContact CD1-CG2 4.37Å; I241-I262 HydrophobicContact CG1-CD1 4.41Å; I241-I262 HydrophobicContact CG1-CG2 4.15Å; I241-R264 PolarHBondContact N-O 3.26Å; I241-V265 HydrophobicContact CB-CG1 4.46Å; I241-V265 HydrophobicContact CD1-CG1 4.32Å; I241-V265 HydrophobicContact CD1-CG2 3.84Å; I241-V265 HydrophobicContact CG1-CG2 4.2Å; I241-D266 PolarHBondContact O-N 3.44Å; I241-A269 HydrophobicContact CB-CB 4.15Å; I241-A269 HydrophobicContact CG2-CB 3.8Å; I241-I281 HydrophobicContact CD1-CD1 4.33Å
242	G	95.4	Very high	96.4	Very high	3 Å²	3	44.5 Å²	44.5	3%	0.031	21%	0.206	C	C	.	.			trans	-79.9	160.8	178	0	0	0	0	0	113.6	L216 V245 D266 A269	L216-G242 PolarHBondContact O-N 2.7Å; G242-V245 WeakPolarHBondContact O-CG2 3.17Å; G242-D266 WeakPolarHBondContact CA-OD2 3.36Å; G242-A269 WeakPolarHBondContact O-CA 3.21Å; G242-A269 WeakPolarHBondContact O-CB 3.41Å
243	N	95.3	Very high	96.4	Very high	61 Å²	61	44.6 Å²	44.6	33%	0.326	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	144.4	176.1	-65.7	-71.3	0	0	0	113.2	V245 D266 G268	N243-V245 PolarHBondContact O-N 3.09Å; N243-D266 PolarHBondContact N-OD2 3.38Å; N243-D266 WeakPolarHBondContact ND2-CB 3.11Å; N243-D266 PolarHBondContact ND2-OD2 2.94Å; N243-D266 WeakPolarHBondContact OD1-CB 3.5Å; N243-G268 VanDerWaalsContact OD1-CA 3.25Å; N243-G268 WeakPolarHBondContact OD1-CA 3.42Å; N243-G268 PolarHBondContact OD1-N 3.22Å
244	H	94.9	Very high	96.4	Very high	76 Å²	76	47.6 Å²	47.6	35%	0.352	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	4.5	170.4	-54.8	94.2	0	0	0	117.4	V219 F246 Q247 G268 R271	V219-H244 HydrophobicContact CG1-CB 4.26Å; V219-H244 HydrophobicContact CG2-CB 4.04Å; H244-F246 PolarHBondContact O-N 3.2Å; H244-Q247 HydrophobicContact CB-CB 4.22Å; H244-Q247 PolarHBondContact CD2-OE1 2.98Å; H244-Q247 WeakPolarHBondContact O-CB 3.19Å; H244-Q247 PolarHBondContact O-N 2.89Å; H244-G268 PolarHBondContact N-O 2.95Å; H244-R271 PolarHBondContact NE2-NH1 2.62Å
245	V	94.9	Very high	96.5	Very high	3 Å²	3	46.6 Å²	46.6	2%	0.018	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-26.2	-177.7	173.3	0	0	0	0	113.7	L216 F222 G242 N243	L216-V245 HydrophobicContact CB-CG1 4.42Å; L216-V245 WeakPolarHBondContact O-CG2 3.38Å; F222-V245 HydrophobicContact CD2-CG1 3.83Å; F222-V245 HydrophobicContact CE2-CG1 4.03Å; G242-V245 WeakPolarHBondContact O-CG2 3.17Å; N243-V245 PolarHBondContact O-N 3.09Å
246	F	95.8	Very high	96.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	10.4	177.7	-53.3	-53.8	0	0	0	114.6	L216 F222 L231 I241 H244 N248 L249 L255 A269 L273	L216-F246 HydrophobicContact CD1-CZ 4.21Å; F222-F246 HydrophobicContact CD2-CD1 4.11Å; F222-F246 AromaticContact CD2-CE1 3.97Å; F222-F246 HydrophobicContact CD2-CE1 3.97Å; F222-F246 AromaticContact CE2-CE1 3.93Å; F222-F246 HydrophobicContact CE2-CE1 3.93Å; L231-F246 HydrophobicContact CD2-CD1 4.46Å; L231-F246 HydrophobicContact CD2-CE1 4.08Å; I241-F246 HydrophobicContact CG2-CE2 3.88Å; I241-F246 HydrophobicContact CG2-CZ 4.36Å; H244-F246 PolarHBondContact O-N 3.2Å; F246-N248 VanDerWaalsContact C-N 3.26Å; F246-N248 PolarHBondContact O-N 3.18Å; F246-L249 HydrophobicContact CB-CD1 4.15Å; F246-L249 HydrophobicContact CB-CG 4.5Å; F246-L249 HydrophobicContact CD1-CD1 3.72Å; F246-L249 HydrophobicContact CG-CD1 4.36Å; F246-L249 WeakPolarHBondContact O-CB 3.48Å; F246-L249 PolarHBondContact O-N 2.95Å; F246-L255 HydrophobicContact CD2-CD2 4.32Å; F246-L255 HydrophobicContact CE2-CD2 4.02Å; F246-L255 HydrophobicContact CZ-CD2 4.24Å; F246-A269 WeakPolarHBondContact CD2-O 3.29Å; F246-L273 HydrophobicContact CB-CD1 3.99Å; F246-L273 HydrophobicContact CB-CD2 3.84Å; F246-L273 HydrophobicContact CB-CG 3.87Å; F246-L273 HydrophobicContact CD2-CD1 4.03Å; F246-L273 HydrophobicContact CG-CD1 4.21Å
247	Q	94.5	Very high	96.5	Very high	74 Å²	74	42.3 Å²	42.3	35%	0.346	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-30	-167.5	-174.4	175.2	12.5	0	0	116	H244 R271	H244-Q247 HydrophobicContact CB-CB 4.22Å; H244-Q247 PolarHBondContact CD2-OE1 2.98Å; H244-Q247 WeakPolarHBondContact O-CB 3.19Å; H244-Q247 PolarHBondContact O-N 2.89Å; Q247-R271 VanDerWaalsContact CA-O 3.22Å; Q247-R271 WeakPolarHBondContact CA-O 3.31Å
248	N	93.4	Very high	96.5	Very high	62 Å²	62	39.6 Å²	39.6	33%	0.332	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-4.4	-178.7	-70.6	-13.2	0	0	0	114.1	S223 F246 K250	S223-N248 WeakPolarHBondContact O-CB 3.49Å; S223-N248 PolarHBondContact O-ND2 3.19Å; F246-N248 VanDerWaalsContact C-N 3.26Å; F246-N248 PolarHBondContact O-N 3.18Å; N248-K250 PolarHBondContact O-N 3.32Å
249	L	96.2	Very high	96.5	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	21%	0.206	C	C	.	.			trans	-81.8	46.9	-175	-55	-172.7	0	0	0	112.6	F222 L225 L228 L231 F246 K251 L252 L273	F222-L249 HydrophobicContact CB-CD1 4.22Å; F222-L249 HydrophobicContact CB-CD2 4.18Å; F222-L249 HydrophobicContact CB-CG 4.49Å; L225-L249 HydrophobicContact CB-CD2 3.77Å; L225-L249 WeakPolarHBondContact O-CD2 3.24Å; L228-L249 HydrophobicContact CB-CD2 4.38Å; L228-L249 HydrophobicContact CD2-CD1 4.39Å; L228-L249 HydrophobicContact CD2-CD2 4.28Å; L231-L249 HydrophobicContact CD2-CD1 4.05Å; F246-L249 HydrophobicContact CB-CD1 4.15Å; F246-L249 HydrophobicContact CB-CG 4.5Å; F246-L249 HydrophobicContact CD1-CD1 3.72Å; F246-L249 HydrophobicContact CG-CD1 4.36Å; F246-L249 WeakPolarHBondContact O-CB 3.48Å; F246-L249 PolarHBondContact O-N 2.95Å; L249-K251 PolarHBondContact O-N 3.24Å; L249-L252 HydrophobicContact CB-CB 4.09Å; L249-L252 HydrophobicContact CB-CD2 4.44Å; L249-L252 HydrophobicContact CD1-CD2 4.12Å; L249-L252 VanDerWaalsContact O-CB 3.25Å; L249-L252 WeakPolarHBondContact O-CB 3.48Å; L249-L252 PolarHBondContact O-N 3.14Å; L249-L273 HydrophobicContact CB-CD2 3.86Å
250	K	94.3	Very high	96.6	Very high	134 Å²	134	37.6 Å²	37.6	58%	0.583	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-13	-170.7	-62.4	-177.2	179.6	-177.6	0	115.1	N248 S275	N248-K250 PolarHBondContact O-N 3.32Å; K250-S275 VanDerWaalsContact O-CB 3.26Å; K250-S275 WeakPolarHBondContact O-CB 3.28Å; K250-S275 PolarHBondContact O-OG 3.29Å
251	K	96.5	Very high	96.6	Very high	119 Å²	119	41 Å²	41	52%	0.517	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	0.9	175.3	-61.2	-167.1	-164.2	165.9	0	113.6	L228 L249 S253	L228-K251 CarbonylContact O-C 3.49Å; L249-K251 PolarHBondContact O-N 3.24Å; K251-S253 PolarHBondContact O-N 2.96Å
252	L	98.1	Very high	96.7	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.196	C	C	.	.			trans	-65.5	123.5	-176.9	-161.8	71.6	0	0	0	109.3	L228 L231 L249 L255 L273 S275 L276	L228-L252 HydrophobicContact CB-CD1 4.29Å; L228-L252 HydrophobicContact CD2-CD1 3.98Å; L228-L252 HydrophobicContact CG-CD1 3.95Å; L228-L252 VanDerWaalsContact O-CA 3.23Å; L228-L252 WeakPolarHBondContact O-CA 3.48Å; L228-L252 PolarHBondContact O-N 2.99Å; L231-L252 HydrophobicContact CB-CD1 3.81Å; L231-L252 HydrophobicContact CB-CD2 4.3Å; L249-L252 HydrophobicContact CB-CB 4.09Å; L249-L252 HydrophobicContact CB-CD2 4.44Å; L249-L252 HydrophobicContact CD1-CD2 4.12Å; L249-L252 VanDerWaalsContact O-CB 3.25Å; L249-L252 WeakPolarHBondContact O-CB 3.48Å; L249-L252 PolarHBondContact O-N 3.14Å; L252-L255 HydrophobicContact CD2-CB 3.95Å; L252-L273 HydrophobicContact CB-CD2 3.94Å; L252-L273 HydrophobicContact CD2-CD2 3.58Å; L252-L273 HydrophobicContact CG-CD2 4.39Å; L252-S275 CarbonylContact O-C 3.13Å; L252-L276 HydrophobicContact CB-CD1 4.37Å; L252-L276 HydrophobicContact CD2-CD1 4.07Å; L252-L276 HydrophobicContact CG-CD1 4.02Å; L252-L276 WeakPolarHBondContact O-CA 3.17Å; L252-L276 PolarHBondContact O-N 2.96Å; L252-L276 VanDerWaalsContact O-N 3.1Å
253	S	97.8	Very high	96.8	Very high	38 Å²	38	44.1 Å²	44.1	27%	0.266	22%	0.217	S	C	.	.			trans	-106.2	-27	179.5	-171.3	0	0	0	0	111.8	T229 K251 R277 E278	T229-S253 PolarHBondContact O-N 2.76Å; K251-S253 PolarHBondContact O-N 2.96Å; S253-R277 PolarHBondContact O-N 3.06Å; S253-E278 PolarHBondContact O-N 3.25Å
254	K	98.1	Very high	96.7	Very high	63 Å²	63	48.2 Å²	48.2	27%	0.274	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	129.2	176.9	-179	166.5	-172.5	142.9	0	111.7	T229 V230 L231 E278	T229-K254 PolarHBondContact O-N 2.95Å; V230-K254 HydrophobicContact CG1-CB 4.34Å; V230-K254 HydrophobicContact CG1-CG 4.49Å; V230-K254 HydrophobicContact CG2-CB 4.35Å; L231-K254 PolarHBondContact N-O 3.16Å; K254-E278 WeakPolarHBondContact CA-O 3.19Å; K254-E278 HydrophobicContact CB-CB 4.25Å; K254-E278 HydrophobicContact CD-CB 4.49Å; K254-E278 VanDerWaalsContact CD-OE2 3.31Å; K254-E278 WeakPolarHBondContact CD-OE2 3.45Å; K254-E278 WeakPolarHBondContact CE-OE2 3.44Å; K254-E278 HydrophobicContact CG-CB 4.03Å; K254-E278 IonicContact NZ-OE2 2.67Å; K254-E278 PolarHBondContact NZ-OE2 2.98Å
255	L	98.5	Very high	96.8	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	122.1	171.2	175.7	57.4	0	0	0	108.7	L231 L233 F246 L252 L257 L273 L276 E278 F279 L280	L231-L255 HydrophobicContact CB-CD1 4.13Å; L231-L255 HydrophobicContact CD2-CD1 4.04Å; L231-L255 HydrophobicContact CG-CD1 4.01Å; L231-L255 WeakPolarHBondContact O-CA 3.34Å; L233-L255 HydrophobicContact CD1-CD1 4.34Å; F246-L255 HydrophobicContact CD2-CD2 4.32Å; F246-L255 HydrophobicContact CE2-CD2 4.02Å; F246-L255 HydrophobicContact CZ-CD2 4.24Å; L252-L255 HydrophobicContact CD2-CB 3.95Å; L255-L257 HydrophobicContact CD1-CG 4.34Å; L255-L257 HydrophobicContact CD2-CD1 4.44Å; L255-L257 HydrophobicContact CG-CG 4.43Å; L255-L273 HydrophobicContact CD2-CD1 3.75Å; L255-L276 HydrophobicContact CB-CD1 3.86Å; L255-L276 HydrophobicContact CB-CD2 4.41Å; L255-E278 PolarHBondContact N-O 2.84Å; L255-F279 HydrophobicContact CB-CD2 4.09Å; L255-F279 HydrophobicContact CD2-CD2 3.9Å; L255-F279 HydrophobicContact CD2-CE2 3.68Å; L255-F279 HydrophobicContact CG-CD2 3.98Å; L255-F279 HydrophobicContact CG-CE2 4.03Å; L255-F279 WeakPolarHBondContact O-CA 3.41Å; L255-L280 PolarHBondContact O-N 3.36Å
256	S	98.3	Very high	96.8	Very high	7 Å²	7	46.9 Å²	46.9	5%	0.049	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	128.2	169.7	172.6	0	0	0	0	110.5	L231 L233 S258	L231-S256 PolarHBondContact O-N 3.4Å; L231-S256 VanDerWaalsContact O-N 3.13Å; L233-S256 CarbonylContact C-O 3.54Å; L233-S256 WeakPolarHBondContact CA-O 3.44Å; L233-S256 WeakPolarHBondContact CB-O 3.49Å; L233-S256 PolarHBondContact N-O 3.27Å; S256-S258 PolarHBondContact OG-N 2.98Å; S256-S258 PolarHBondContact OG-OG 2.94Å
257	L	98.3	Very high	96.6	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	26%	0.261	C	S	.	.			trans	-121.4	19.1	171.5	-66.9	165.9	0	0	0	110	L216 L233 I238 I241 L255 N260 I262 F279 L280 I281 N284	L216-L257 HydrophobicContact CD1-CD2 4.08Å; L233-L257 HydrophobicContact CB-CD2 3.79Å; L233-L257 HydrophobicContact CD1-CD2 3.98Å; I238-L257 HydrophobicContact CD1-CD2 4.14Å; I241-L257 HydrophobicContact CD1-CD1 3.55Å; L255-L257 HydrophobicContact CD1-CG 4.34Å; L255-L257 HydrophobicContact CD2-CD1 4.44Å; L255-L257 HydrophobicContact CG-CG 4.43Å; L257-N260 WeakPolarHBondContact O-CB 3.23Å; L257-N260 PolarHBondContact O-ND2 3.01Å; L257-N260 VanDerWaalsContact O-ND2 3.09Å; L257-I262 HydrophobicContact CB-CD1 3.81Å; L257-I262 HydrophobicContact CD1-CD1 4.18Å; L257-I262 HydrophobicContact CD2-CD1 4.37Å; L257-I262 HydrophobicContact CG-CD1 4.36Å; L257-F279 HydrophobicContact CD1-CE2 3.94Å; L257-F279 HydrophobicContact CD1-CZ 4.4Å; L257-L280 PolarHBondContact N-O 2.74Å; L257-I281 HydrophobicContact CB-CG1 4.25Å; L257-I281 HydrophobicContact CD1-CD1 4.15Å; L257-N284 PolarHBondContact O-ND2 3.19Å
258	S	98.1	Very high	96.5	Very high	10 Å²	10	53.7 Å²	53.7	7%	0.07	25%	0.251	C	S	.	.			trans	-58.5	150	-174.7	-49.3	0	0	0	0	111.9	S234 E235 S256 N260 L280 D282	S234-S258 CarbonylContact C-O 3.57Å; S234-S258 WeakPolarHBondContact CA-O 3.49Å; S234-S258 VanDerWaalsContact CB-O 3.3Å; S234-S258 WeakPolarHBondContact CB-O 3.48Å; E235-S258 PolarHBondContact N-O 2.67Å; S256-S258 PolarHBondContact OG-N 2.98Å; S256-S258 PolarHBondContact OG-OG 2.94Å; S258-N260 PolarHBondContact O-ND2 3.02Å; S258-N260 VanDerWaalsContact O-ND2 3.12Å; S258-L280 WeakPolarHBondContact OG-CB 3.4Å; S258-D282 CarbonylContact C-O 3.11Å; S258-D282 WeakPolarHBondContact CA-O 3.13Å; S258-D282 WeakPolarHBondContact CB-OD1 3.13Å; S258-D282 PolarHBondContact OG-OD1 2.99Å
259	N	97.9	Very high	96.6	Very high	83 Å²	83	50.7 Å²	50.7	44%	0.444	24%	0.235	S	C	.	.	S	Bend	trans	53	60	178.3	-62.5	-19.3	0	0	0	112.5	E235 D282 G283	E235-N259 WeakPolarHBondContact CA-O 3.46Å; E235-N259 HydrophobicContact CG-CB 3.54Å; E235-N259 PolarHBondContact N-O 3.4Å; N259-D282 PolarHBondContact N-O 2.8Å; N259-G283 CarbonylContact C-O 3.31Å; N259-G283 WeakPolarHBondContact CA-O 3.2Å; N259-G283 PolarHBondContact N-O 2.83Å
260	N	98.5	Very high	96.6	Very high	11 Å²	11	50.7 Å²	50.7	6%	0.059	24%	0.235	C	C	.	.	S	Bend	trans	-127.7	-162.1	177.1	-91.8	-93.9	0	0	0	109.9	L233 N236 I238 L257 S258 I262 G283 N284	L233-N260 PolarHBondContact O-ND2 2.98Å; N236-N260 WeakPolarHBondContact CA-OD1 3.4Å; N236-N260 WeakPolarHBondContact CB-OD1 3.35Å; N236-N260 PolarHBondContact O-OD1 2.78Å; N236-N260 VanDerWaalsContact O-OD1 3.12Å; I238-N260 HydrophobicContact CB-CB 4.46Å; I238-N260 VanDerWaalsContact CB-OD1 3.23Å; I238-N260 WeakPolarHBondContact CB-OD1 3.26Å; I238-N260 WeakPolarHBondContact CD1-OD1 3.1Å; I238-N260 VanDerWaalsContact CG1-OD1 3.23Å; I238-N260 WeakPolarHBondContact CG1-OD1 3.37Å; I238-N260 PolarHBondContact N-OD1 3.17Å; I238-N260 VanDerWaalsContact N-OD1 3.08Å; L257-N260 WeakPolarHBondContact O-CB 3.23Å; L257-N260 PolarHBondContact O-ND2 3.01Å; L257-N260 VanDerWaalsContact O-ND2 3.09Å; S258-N260 PolarHBondContact O-ND2 3.02Å; S258-N260 VanDerWaalsContact O-ND2 3.12Å; N260-I262 HydrophobicContact CB-CD1 4.11Å; N260-I262 HydrophobicContact CB-CG1 4.03Å; N260-G283 PolarHBondContact N-O 3.08Å; N260-N284 WeakPolarHBondContact CA-OD1 3.35Å; N260-N284 WeakPolarHBondContact CB-OD1 3.26Å
261	R	98.1	Very high	96.6	Very high	116 Å²	116	50.5 Å²	50.5	44%	0.438	23%	0.23	S	C	.	.			trans	-121.5	28.5	179.3	-60.5	-170.5	172.1	-76.5	-0.7	112.2	I238 R239 S263 N284 E285	I238-R261 CarbonylContact O-C 3.1Å; I238-R261 WeakPolarHBondContact O-CA 3.39Å; I238-R261 PolarHBondContact O-N 2.99Å; R239-R261 WeakPolarHBondContact CA-O 3.33Å; R239-R261 HydrophobicContact CG-CB 3.92Å; R261-S263 PolarHBondContact O-N 2.82Å; R261-S263 VanDerWaalsContact O-N 3.07Å; R261-N284 PolarHBondContact N-OD1 2.89Å; R261-E285 WeakPolarHBondContact CG-OE1 3.33Å; R261-E285 IonicContact CZ-OE1 2.7Å; R261-E285 IonicContact NH1-OE1 3.85Å; R261-E285 PolarHBondContact NH1-OE1 3.34Å
262	I	98.1	Very high	96.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.215	C	C	.	.			trans	-73.2	108.3	-169.1	-56.6	163.9	0	0	0	108.2	I238 I241 L257 N260 V265 I281 N284 E285 L286	I238-I262 HydrophobicContact CB-CG1 4.19Å; I238-I262 HydrophobicContact CG2-CD1 4.41Å; I238-I262 HydrophobicContact CG2-CG1 4.01Å; I238-I262 WeakPolarHBondContact O-CA 3.46Å; I238-I262 VanDerWaalsContact O-CG1 3.22Å; I238-I262 WeakPolarHBondContact O-CG1 3.24Å; I238-I262 PolarHBondContact O-N 3.03Å; I241-I262 HydrophobicContact CD1-CD1 4.22Å; I241-I262 HydrophobicContact CD1-CG2 4.37Å; I241-I262 HydrophobicContact CG1-CD1 4.41Å; I241-I262 HydrophobicContact CG1-CG2 4.15Å; L257-I262 HydrophobicContact CB-CD1 3.81Å; L257-I262 HydrophobicContact CD1-CD1 4.18Å; L257-I262 HydrophobicContact CD2-CD1 4.37Å; L257-I262 HydrophobicContact CG-CD1 4.36Å; N260-I262 HydrophobicContact CB-CD1 4.11Å; N260-I262 HydrophobicContact CB-CG1 4.03Å; I262-V265 HydrophobicContact CG2-CG2 3.76Å; I262-I281 HydrophobicContact CD1-CD1 4.07Å; I262-I281 HydrophobicContact CD1-CG1 4.17Å; I262-N284 HydrophobicContact CB-CB 4.45Å; I262-N284 WeakPolarHBondContact CB-OD1 3.38Å; I262-N284 WeakPolarHBondContact CD1-OD1 3.47Å; I262-N284 WeakPolarHBondContact CG1-OD1 3.45Å; I262-N284 PolarHBondContact N-OD1 3.03Å; I262-E285 CarbonylContact O-C 3.01Å; I262-E285 WeakPolarHBondContact O-CA 3.35Å; I262-E285 PolarHBondContact O-N 3.11Å; I262-L286 HydrophobicContact CG2-CD2 4.01Å; I262-L286 WeakPolarHBondContact O-CD2 3.49Å; I262-L286 WeakPolarHBondContact O-CG 3.4Å; I262-L286 PolarHBondContact O-N 3.15Å; I262-L286 VanDerWaalsContact O-N 3.09Å
263	S	96.6	Very high	96.2	Very high	69 Å²	69	45.8 Å²	45.8	48%	0.483	22%	0.215	S	C	.	.			trans	-104.8	-15	169.7	54.8	0	0	0	0	112.4	R239 R261 E285	R239-S263 PolarHBondContact O-N 3.22Å; R261-S263 PolarHBondContact O-N 2.82Å; R261-S263 VanDerWaalsContact O-N 3.07Å; S263-E285 WeakPolarHBondContact CA-O 3.15Å; S263-E285 WeakPolarHBondContact CB-O 3.12Å
264	R	94.9	Very high	95.9	Very high	147 Å²	147	46 Å²	46	56%	0.555	22%	0.217	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-131.5	126.8	180	-174.2	-179.9	163.8	159.8	-5.1	113.4	R239 H240 I241 D266	R239-R264 PolarHBondContact O-N 2.96Å; H240-R264 WeakPolarHBondContact CA-O 3.27Å; H240-R264 PolarHBondContact NE2-NE 2.88Å; I241-R264 PolarHBondContact N-O 3.26Å; R264-D266 IonicContact CZ-OD1 3.6Å; R264-D266 VanDerWaalsContact CZ-OD1 3.26Å; R264-D266 IonicContact NE-OD1 3.87Å; R264-D266 PolarHBondContact NE-OD1 2.96Å; R264-D266 IonicContact NH2-OD1 2.72Å; R264-D266 PolarHBondContact NH2-OD1 3.07Å; R264-D266 IonicContact NH2-OD2 2.84Å
265	V	95.9	Very high	95.8	Very high	29 Å²	29	45 Å²	45	18%	0.176	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	120.4	168.6	-177.1	0	0	0	0	108.1	I241 I262 A269 I281 L286 W293	I241-V265 HydrophobicContact CB-CG1 4.46Å; I241-V265 HydrophobicContact CD1-CG1 4.32Å; I241-V265 HydrophobicContact CD1-CG2 3.84Å; I241-V265 HydrophobicContact CG1-CG2 4.2Å; I262-V265 HydrophobicContact CG2-CG2 3.76Å; V265-A269 HydrophobicContact CG1-CB 3.71Å; V265-I281 HydrophobicContact CG2-CD1 4.41Å; V265-L286 HydrophobicContact CG2-CD2 4.03Å; V265-W293 HydrophobicContact CG1-CD2 4.39Å; V265-W293 HydrophobicContact CG1-CE3 3.84Å; V265-W293 HydrophobicContact CG1-CH2 4.48Å; V265-W293 HydrophobicContact CG1-CZ3 3.89Å
266	D	94.9	Very high	95.8	Very high	21 Å²	21	45 Å²	45	11%	0.112	22%	0.218	C	C	.	.			trans	-73.1	148.7	176.8	-65.9	-22.1	0	0	0	111.4	H240 I241 G242 N243 R264 G268 A269	H240-D266 IonicContact CD2-OD1 2.98Å; H240-D266 IonicContact CE1-OD1 3.97Å; H240-D266 IonicContact CE1-OD2 2.8Å; H240-D266 IonicContact NE2-OD1 3.64Å; H240-D266 PolarHBondContact NE2-OD1 3.25Å; H240-D266 IonicContact NE2-OD2 3.26Å; H240-D266 PolarHBondContact NE2-OD2 3.46Å; H240-D266 VanDerWaalsContact NE2-OD2 3.08Å; I241-D266 PolarHBondContact O-N 3.44Å; G242-D266 WeakPolarHBondContact CA-OD2 3.36Å; N243-D266 PolarHBondContact N-OD2 3.38Å; N243-D266 WeakPolarHBondContact ND2-CB 3.11Å; N243-D266 PolarHBondContact ND2-OD2 2.94Å; N243-D266 WeakPolarHBondContact OD1-CB 3.5Å; R264-D266 IonicContact CZ-OD1 3.6Å; R264-D266 VanDerWaalsContact CZ-OD1 3.26Å; R264-D266 IonicContact NE-OD1 3.87Å; R264-D266 PolarHBondContact NE-OD1 2.96Å; R264-D266 IonicContact NH2-OD1 2.72Å; R264-D266 PolarHBondContact NH2-OD1 3.07Å; R264-D266 IonicContact NH2-OD2 2.84Å; D266-G268 PolarHBondContact O-N 3.11Å; D266-A269 WeakPolarHBondContact O-CB 3.32Å; D266-A269 PolarHBondContact O-N 2.96Å
267	R	91.5	Very high	95.8	Very high	204 Å²	204	50.4 Å²	50.4	77%	0.77	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-27.6	-173.8	-67.7	-175.5	177.8	-172.4	-2.4	115.4
268	G	93.5	Very high	95.8	Very high	13 Å²	13	53.6 Å²	53.6	13%	0.134	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	8.4	178.6	0	0	0	0	0	115.3	N243 H244 D266 R271	N243-G268 VanDerWaalsContact OD1-CA 3.25Å; N243-G268 WeakPolarHBondContact OD1-CA 3.42Å; N243-G268 PolarHBondContact OD1-N 3.22Å; H244-G268 PolarHBondContact N-O 2.95Å; D266-G268 PolarHBondContact O-N 3.11Å; G268-R271 VanDerWaalsContact O-CB 3.27Å; G268-R271 WeakPolarHBondContact O-CB 3.42Å; G268-R271 PolarHBondContact O-N 2.67Å
269	A	95.1	Very high	95.8	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-51	-171.4	0	0	0	0	0	113.8	I241 G242 F246 V265 D266 R271	I241-A269 HydrophobicContact CB-CB 4.15Å; I241-A269 HydrophobicContact CG2-CB 3.8Å; G242-A269 WeakPolarHBondContact O-CA 3.21Å; G242-A269 WeakPolarHBondContact O-CB 3.41Å; F246-A269 WeakPolarHBondContact CD2-O 3.29Å; V265-A269 HydrophobicContact CG1-CB 3.71Å; D266-A269 WeakPolarHBondContact O-CB 3.32Å; D266-A269 PolarHBondContact O-N 2.96Å; A269-R271 VanDerWaalsContact C-N 3.28Å; A269-R271 PolarHBondContact O-N 2.96Å
270	V	95.1	Very high	95.8	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	5.8	-179.7	-60.3	0	0	0	0	113.9	G272 L273 F279 W293 L297	V270-G272 PolarHBondContact O-N 3.14Å; V270-L273 HydrophobicContact CB-CD1 4.04Å; V270-L273 HydrophobicContact CG1-CD1 4.29Å; V270-L273 WeakPolarHBondContact O-CB 3.27Å; V270-L273 WeakPolarHBondContact O-CG 3.4Å; V270-L273 PolarHBondContact O-N 2.84Å; V270-F279 HydrophobicContact CG1-CZ 4.16Å; V270-W293 HydrophobicContact CG1-CE3 4.44Å; V270-W293 HydrophobicContact CG1-CZ3 4.16Å; V270-W293 HydrophobicContact CG2-CE3 4.01Å; V270-W293 HydrophobicContact CG2-CZ3 4.42Å; V270-W293 WeakPolarHBondContact CG2-O 3.19Å; V270-L297 HydrophobicContact CB-CD2 4.15Å; V270-L297 HydrophobicContact CG2-CD1 4.46Å; V270-L297 HydrophobicContact CG2-CD2 4.26Å; V270-L297 HydrophobicContact CG2-CG 4.23Å
271	R	94	Very high	95.8	Very high	130 Å²	130	49.9 Å²	49.9	49%	0.491	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	127.1	177.9	-173.1	177.8	-178	-176.8	-0.5	109.9	H244 Q247 G268 A269 P296	H244-R271 PolarHBondContact NE2-NH1 2.62Å; Q247-R271 VanDerWaalsContact CA-O 3.22Å; Q247-R271 WeakPolarHBondContact CA-O 3.31Å; G268-R271 VanDerWaalsContact O-CB 3.27Å; G268-R271 WeakPolarHBondContact O-CB 3.42Å; G268-R271 PolarHBondContact O-N 2.67Å; A269-R271 VanDerWaalsContact C-N 3.28Å; A269-R271 PolarHBondContact O-N 2.96Å; R271-P296 HydrophobicContact CB-CG 4.42Å
272	G	91	Very high	95.8	Very high	20 Å²	20	45.9 Å²	45.9	21%	0.206	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	107.9	-13.5	-178.9	0	0	0	0	0	114.6	V270 S274	V270-G272 PolarHBondContact O-N 3.14Å; G272-S274 PolarHBondContact O-N 3.49Å
273	L	95.8	Very high	95.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.227	C	C	.	.			trans	-80.7	41	180	-64.5	-176.2	0	0	0	113.8	F246 L249 L252 L255 V270 S275 L276 L297	F246-L273 HydrophobicContact CB-CD1 3.99Å; F246-L273 HydrophobicContact CB-CD2 3.84Å; F246-L273 HydrophobicContact CB-CG 3.87Å; F246-L273 HydrophobicContact CD2-CD1 4.03Å; F246-L273 HydrophobicContact CG-CD1 4.21Å; L249-L273 HydrophobicContact CB-CD2 3.86Å; L252-L273 HydrophobicContact CB-CD2 3.94Å; L252-L273 HydrophobicContact CD2-CD2 3.58Å; L252-L273 HydrophobicContact CG-CD2 4.39Å; L255-L273 HydrophobicContact CD2-CD1 3.75Å; V270-L273 HydrophobicContact CB-CD1 4.04Å; V270-L273 HydrophobicContact CG1-CD1 4.29Å; V270-L273 WeakPolarHBondContact O-CB 3.27Å; V270-L273 WeakPolarHBondContact O-CG 3.4Å; V270-L273 PolarHBondContact O-N 2.84Å; L273-S275 PolarHBondContact O-N 3.37Å; L273-S275 VanDerWaalsContact O-N 3.08Å; L273-L276 HydrophobicContact CB-CB 4.18Å; L273-L276 HydrophobicContact CB-CD2 4.31Å; L273-L276 HydrophobicContact CD1-CD2 4.09Å; L273-L276 VanDerWaalsContact O-CB 3.24Å; L273-L276 WeakPolarHBondContact O-CB 3.44Å; L273-L276 PolarHBondContact O-N 2.85Å; L273-L276 VanDerWaalsContact O-N 3.09Å; L273-L297 HydrophobicContact CB-CD2 3.61Å; L273-L297 HydrophobicContact CD1-CD2 4.44Å
274	S	92.3	Very high	95.9	Very high	43 Å²	43	43.8 Å²	43.8	30%	0.301	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	2.4	-172.9	58.9	0	0	0	0	115.8	G272 R299	G272-S274 PolarHBondContact O-N 3.49Å; S274-R299 WeakPolarHBondContact O-CD 3.12Å; S274-R299 PolarHBondContact O-NH1 2.94Å
275	S	96.1	Very high	96	Very high	41 Å²	41	39.1 Å²	39.1	29%	0.287	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	2.4	171.3	-60.3	0	0	0	0	113.4	K250 L252 L273 R277	K250-S275 VanDerWaalsContact O-CB 3.26Å; K250-S275 WeakPolarHBondContact O-CB 3.28Å; K250-S275 PolarHBondContact O-OG 3.29Å; L252-S275 CarbonylContact O-C 3.13Å; L273-S275 PolarHBondContact O-N 3.37Å; L273-S275 VanDerWaalsContact O-N 3.08Å; S275-R277 PolarHBondContact O-N 3.25Å
276	L	97.9	Very high	96.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.184	C	C	.	.			trans	-68.3	131.5	-174.4	-162.2	72.4	0	0	0	110.5	L252 L255 L273 F279 L297 R299 V300	L252-L276 HydrophobicContact CB-CD1 4.37Å; L252-L276 HydrophobicContact CD2-CD1 4.07Å; L252-L276 HydrophobicContact CG-CD1 4.02Å; L252-L276 WeakPolarHBondContact O-CA 3.17Å; L252-L276 PolarHBondContact O-N 2.96Å; L252-L276 VanDerWaalsContact O-N 3.1Å; L255-L276 HydrophobicContact CB-CD1 3.86Å; L255-L276 HydrophobicContact CB-CD2 4.41Å; L273-L276 HydrophobicContact CB-CB 4.18Å; L273-L276 HydrophobicContact CB-CD2 4.31Å; L273-L276 HydrophobicContact CD1-CD2 4.09Å; L273-L276 VanDerWaalsContact O-CB 3.24Å; L273-L276 WeakPolarHBondContact O-CB 3.44Å; L273-L276 PolarHBondContact O-N 2.85Å; L273-L276 VanDerWaalsContact O-N 3.09Å; L276-F279 HydrophobicContact CD2-CB 3.73Å; L276-F279 HydrophobicContact CD2-CD2 4.19Å; L276-F279 HydrophobicContact CD2-CG 4.09Å; L276-L297 HydrophobicContact CB-CD2 4.34Å; L276-L297 HydrophobicContact CD2-CD1 4.34Å; L276-L297 HydrophobicContact CD2-CD2 3.76Å; L276-R299 CarbonylContact O-C 3.1Å; L276-V300 WeakPolarHBondContact O-CA 3.42Å; L276-V300 PolarHBondContact O-N 3.04Å; L276-V300 VanDerWaalsContact O-N 3.13Å
277	R	97.8	Very high	96.2	Very high	121 Å²	121	43.2 Å²	43.2	46%	0.457	21%	0.207	S	C	.	.			trans	-110	-37.4	176.4	-62.1	-177.4	-170.6	-95.4	2.1	111.7	S253 S275 V300 E301 V302	S253-R277 PolarHBondContact O-N 3.06Å; S275-R277 PolarHBondContact O-N 3.25Å; R277-V300 WeakPolarHBondContact O-CG2 3.26Å; R277-E301 HydrophobicContact CB-CG 4.36Å; R277-E301 WeakPolarHBondContact CD-OE1 3.46Å; R277-E301 IonicContact CZ-OE1 3.08Å; R277-E301 IonicContact NE-OE1 3.98Å; R277-E301 IonicContact NH1-OE1 3.56Å; R277-E301 PolarHBondContact NH1-OE1 3.1Å; R277-E301 PolarHBondContact O-N 3.4Å; R277-V302 PolarHBondContact O-N 2.75Å
278	E	98.3	Very high	96.4	Very high	67 Å²	67	38.5 Å²	38.5	31%	0.313	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	121.2	178.5	-64	178.8	-140	0	0	110.3	S253 K254 L255 V302	S253-E278 PolarHBondContact O-N 3.25Å; K254-E278 WeakPolarHBondContact CA-O 3.19Å; K254-E278 HydrophobicContact CB-CB 4.25Å; K254-E278 HydrophobicContact CD-CB 4.49Å; K254-E278 VanDerWaalsContact CD-OE2 3.31Å; K254-E278 WeakPolarHBondContact CD-OE2 3.45Å; K254-E278 WeakPolarHBondContact CE-OE2 3.44Å; K254-E278 HydrophobicContact CG-CB 4.03Å; K254-E278 IonicContact NZ-OE2 2.67Å; K254-E278 PolarHBondContact NZ-OE2 2.98Å; L255-E278 PolarHBondContact N-O 2.84Å; E278-V302 HydrophobicContact CB-CB 4.49Å; E278-V302 HydrophobicContact CG-CB 4.1Å; E278-V302 HydrophobicContact CG-CG2 4.27Å
279	F	98.3	Very high	96.5	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	114.9	170.8	-175.3	-136.4	0	0	0	109.7	L255 L257 V270 L276 I281 W293 L294 L297 V300 V302 L303 D304 F305	L255-F279 HydrophobicContact CB-CD2 4.09Å; L255-F279 HydrophobicContact CD2-CD2 3.9Å; L255-F279 HydrophobicContact CD2-CE2 3.68Å; L255-F279 HydrophobicContact CG-CD2 3.98Å; L255-F279 HydrophobicContact CG-CE2 4.03Å; L255-F279 WeakPolarHBondContact O-CA 3.41Å; L257-F279 HydrophobicContact CD1-CE2 3.94Å; L257-F279 HydrophobicContact CD1-CZ 4.4Å; V270-F279 HydrophobicContact CG1-CZ 4.16Å; L276-F279 HydrophobicContact CD2-CB 3.73Å; L276-F279 HydrophobicContact CD2-CD2 4.19Å; L276-F279 HydrophobicContact CD2-CG 4.09Å; F279-I281 HydrophobicContact CE1-CG2 4.26Å; F279-I281 HydrophobicContact CZ-CB 4.29Å; F279-I281 HydrophobicContact CZ-CD1 4.03Å; F279-I281 HydrophobicContact CZ-CG2 4.43Å; F279-W293 HydrophobicContact CE1-CH2 4.02Å; F279-W293 AromaticContact CE1-CZ3 3.98Å; F279-W293 HydrophobicContact CE1-CZ3 3.98Å; F279-W293 HydrophobicContact CZ-CZ3 4.34Å; F279-L294 HydrophobicContact CE1-CD2 4.32Å; F279-L297 HydrophobicContact CD1-CD1 3.87Å; F279-L297 HydrophobicContact CE1-CD1 4.37Å; F279-L297 HydrophobicContact CG-CD1 4.38Å; F279-V300 HydrophobicContact CB-CG2 4.32Å; F279-V302 PolarHBondContact N-O 3.04Å; F279-L303 HydrophobicContact CB-CD2 4.01Å; F279-L303 HydrophobicContact CD1-CD2 4.04Å; F279-L303 WeakPolarHBondContact O-CA 3.38Å; F279-D304 PolarHBondContact O-N 3.1Å; F279-F305 HydrophobicContact CE1-CZ 4.5Å
280	L	98.4	Very high	96.3	Very high	27 Å²	27	41 Å²	41	14%	0.141	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	118.5	-177.7	-48	176.9	0	0	0	108.2	L255 L257 S258 V302 D304	L255-L280 PolarHBondContact O-N 3.36Å; L257-L280 PolarHBondContact N-O 2.74Å; S258-L280 WeakPolarHBondContact OG-CB 3.4Å; L280-V302 HydrophobicContact CD2-CG1 4.17Å; L280-D304 HydrophobicContact CB-CB 4.49Å; L280-D304 HydrophobicContact CD2-CB 3.59Å
281	I	97.9	Very high	96.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.219	C	C	.	.			trans	-136.2	27.2	178	-165.3	161.6	0	0	0	110.3	I241 L257 I262 V265 F279 N284 L286 D304 F305 N308	I241-I281 HydrophobicContact CD1-CD1 4.33Å; L257-I281 HydrophobicContact CB-CG1 4.25Å; L257-I281 HydrophobicContact CD1-CD1 4.15Å; I262-I281 HydrophobicContact CD1-CD1 4.07Å; I262-I281 HydrophobicContact CD1-CG1 4.17Å; V265-I281 HydrophobicContact CG2-CD1 4.41Å; F279-I281 HydrophobicContact CE1-CG2 4.26Å; F279-I281 HydrophobicContact CZ-CB 4.29Å; F279-I281 HydrophobicContact CZ-CD1 4.03Å; F279-I281 HydrophobicContact CZ-CG2 4.43Å; I281-N284 PolarHBondContact O-ND2 3.41Å; I281-L286 HydrophobicContact CD1-CD1 4.06Å; I281-L286 HydrophobicContact CG1-CD1 4.16Å; I281-L286 HydrophobicContact CG2-CD1 4.37Å; I281-D304 CarbonylContact C-O 3.54Å; I281-D304 WeakPolarHBondContact CG2-O 3.39Å; I281-D304 PolarHBondContact N-O 3.15Å; I281-F305 HydrophobicContact CG2-CD1 3.49Å; I281-F305 VanDerWaalsContact CG2-CD1 3.49Å; I281-F305 HydrophobicContact CG2-CD2 4.46Å; I281-F305 HydrophobicContact CG2-CE1 3.47Å; I281-F305 VanDerWaalsContact CG2-CE1 3.47Å; I281-F305 HydrophobicContact CG2-CE2 4.44Å; I281-F305 HydrophobicContact CG2-CG 4.02Å; I281-F305 HydrophobicContact CG2-CZ 3.97Å; I281-N308 PolarHBondContact O-ND2 2.87Å
282	D	98.2	Very high	95.7	Very high	31 Å²	31	38.3 Å²	38.3	17%	0.166	21%	0.213	C	C	.	.			trans	-65.9	159.6	174.3	56.2	-60.4	0	0	0	112.7	S258 N259 N284 D304 S306	S258-D282 CarbonylContact C-O 3.11Å; S258-D282 WeakPolarHBondContact CA-O 3.13Å; S258-D282 WeakPolarHBondContact CB-OD1 3.13Å; S258-D282 PolarHBondContact OG-OD1 2.99Å; N259-D282 PolarHBondContact N-O 2.8Å; D282-N284 PolarHBondContact O-ND2 2.96Å; D282-D304 HydrophobicContact CB-CB 4.48Å; D282-D304 PolarHBondContact N-O 3.26Å; D282-S306 CarbonylContact C-O 3.4Å; D282-S306 WeakPolarHBondContact CA-O 3.49Å; D282-S306 WeakPolarHBondContact CB-O 3.48Å
283	G	97.9	Very high	95.8	Very high	17 Å²	17	38 Å²	38	18%	0.175	21%	0.206	C	C	.	.	S	Bend	trans	62.2	52.5	179	0	0	0	0	0	112.4	N259 N260 S306 H307	N259-G283 CarbonylContact C-O 3.31Å; N259-G283 WeakPolarHBondContact CA-O 3.2Å; N259-G283 PolarHBondContact N-O 2.83Å; N260-G283 PolarHBondContact N-O 3.08Å; G283-S306 PolarHBondContact N-O 2.97Å; G283-H307 VanDerWaalsContact CA-O 3.23Å; G283-H307 WeakPolarHBondContact CA-O 3.26Å; G283-H307 PolarHBondContact N-O 2.96Å
284	N	98.6	Very high	95.8	Very high	8 Å²	8	38 Å²	38	4%	0.043	21%	0.206	C	C	.	.	S	Bend	trans	-137.6	-175.6	-173.4	-90.9	-79.2	0	0	0	111.7	L257 N260 R261 I262 I281 D282 H307 N308	L257-N284 PolarHBondContact O-ND2 3.19Å; N260-N284 WeakPolarHBondContact CA-OD1 3.35Å; N260-N284 WeakPolarHBondContact CB-OD1 3.26Å; R261-N284 PolarHBondContact N-OD1 2.89Å; I262-N284 HydrophobicContact CB-CB 4.45Å; I262-N284 WeakPolarHBondContact CB-OD1 3.38Å; I262-N284 WeakPolarHBondContact CD1-OD1 3.47Å; I262-N284 WeakPolarHBondContact CG1-OD1 3.45Å; I262-N284 PolarHBondContact N-OD1 3.03Å; I281-N284 PolarHBondContact O-ND2 3.41Å; D282-N284 PolarHBondContact O-ND2 2.96Å; N284-H307 PolarHBondContact N-O 3.22Å; N284-N308 VanDerWaalsContact C-OD1 3.24Å; N284-N308 WeakPolarHBondContact CA-OD1 3.39Å; N284-N308 WeakPolarHBondContact CB-OD1 3.45Å; N284-N308 WeakPolarHBondContact O-CA 3.44Å; N284-N308 PolarHBondContact O-OD1 3.3Å
285	E	98.1	Very high	95.9	Very high	50 Å²	50	38.1 Å²	38.1	23%	0.234	20%	0.203	C	C	.	.			trans	-111.2	24.5	-171.9	-63.2	178	-161.9	0	0	112	R261 I262 S263	R261-E285 WeakPolarHBondContact CG-OE1 3.33Å; R261-E285 IonicContact CZ-OE1 2.7Å; R261-E285 IonicContact NH1-OE1 3.85Å; R261-E285 PolarHBondContact NH1-OE1 3.34Å; I262-E285 CarbonylContact O-C 3.01Å; I262-E285 WeakPolarHBondContact O-CA 3.35Å; I262-E285 PolarHBondContact O-N 3.11Å; S263-E285 WeakPolarHBondContact CA-O 3.15Å; S263-E285 WeakPolarHBondContact CB-O 3.12Å
286	L	97.6	Very high	95.8	Very high	7 Å²	7	37.8 Å²	37.8	4%	0.037	20%	0.2	C	C	.	.			trans	-73.9	131.4	-178.9	-61	173.3	0	0	0	112.3	I262 V265 I281 F305 N308 R309 L310	I262-L286 HydrophobicContact CG2-CD2 4.01Å; I262-L286 WeakPolarHBondContact O-CD2 3.49Å; I262-L286 WeakPolarHBondContact O-CG 3.4Å; I262-L286 PolarHBondContact O-N 3.15Å; I262-L286 VanDerWaalsContact O-N 3.09Å; V265-L286 HydrophobicContact CG2-CD2 4.03Å; I281-L286 HydrophobicContact CD1-CD1 4.06Å; I281-L286 HydrophobicContact CG1-CD1 4.16Å; I281-L286 HydrophobicContact CG2-CD1 4.37Å; L286-F305 HydrophobicContact CD1-CD1 4.05Å; L286-F305 HydrophobicContact CD1-CE1 4.06Å; L286-N308 HydrophobicContact CB-CB 4.45Å; L286-N308 VanDerWaalsContact CB-OD1 3.27Å; L286-N308 WeakPolarHBondContact CB-OD1 3.48Å; L286-N308 WeakPolarHBondContact CG-OD1 3.38Å; L286-N308 PolarHBondContact N-OD1 3.02Å; L286-R309 CarbonylContact O-C 3.17Å; L286-R309 WeakPolarHBondContact O-CA 3.19Å; L286-R309 WeakPolarHBondContact O-CB 3.31Å; L286-R309 PolarHBondContact O-N 3.5Å; L286-L310 HydrophobicContact CB-CD2 3.9Å; L286-L310 PolarHBondContact O-N 3.38Å; L286-L310 VanDerWaalsContact O-N 3.09Å
287	E	96.6	Very high	95.7	Very high	129 Å²	129	37.8 Å²	37.8	60%	0.603	20%	0.2	S	C	*	.			trans	-100.8	-22.5	-179.6	-62.5	-178.4	171.5	0	0	114	R309 L310 V311	E287-R309 HydrophobicContact CG-CB 4.12Å; E287-L310 WeakPolarHBondContact O-CA 3.28Å; E287-V311 PolarHBondContact O-N 3.45Å
288	E	95.7	Very high	95.4	Very high	104 Å²	104	37.2 Å²	37.2	49%	0.486	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	149.1	-178.3	59.1	179.9	-163.6	0	0	113.3	N290 N312	E288-N290 VanDerWaalsContact CD-ND2 3.32Å; E288-N290 PolarHBondContact OE1-ND2 2.8Å; E288-N312 WeakPolarHBondContact CA-O 3.09Å
289	I	95.9	Very high	95.3	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	94.6	166.2	-53.1	-178.5	0	0	0	108.9	W293 L294 F305 L310 N312 V313 D314 A317 F318 L329	I289-W293 HydrophobicContact CG2-CZ2 4.29Å; I289-L294 HydrophobicContact CG2-CD1 3.75Å; I289-F305 HydrophobicContact CD1-CD1 3.78Å; I289-F305 HydrophobicContact CD1-CD2 4.12Å; I289-F305 HydrophobicContact CD1-CE1 3.83Å; I289-F305 HydrophobicContact CD1-CE2 4.17Å; I289-F305 HydrophobicContact CD1-CG 3.93Å; I289-F305 HydrophobicContact CD1-CZ 4.03Å; I289-F305 HydrophobicContact CG1-CD1 4.32Å; I289-F305 HydrophobicContact CG1-CE1 4.18Å; I289-L310 HydrophobicContact CD1-CD1 3.77Å; I289-L310 HydrophobicContact CG1-CD1 3.92Å; I289-L310 HydrophobicContact CG1-CD2 3.78Å; I289-N312 PolarHBondContact N-O 3.11Å; I289-N312 VanDerWaalsContact N-O 3.15Å; I289-V313 HydrophobicContact CB-CG1 4.18Å; I289-V313 HydrophobicContact CB-CG2 4.4Å; I289-V313 HydrophobicContact CD1-CG2 4.19Å; I289-V313 HydrophobicContact CG1-CG2 4.33Å; I289-D314 VanDerWaalsContact O-CB 3.29Å; I289-D314 WeakPolarHBondContact O-CB 3.43Å; I289-D314 PolarHBondContact O-N 2.93Å; I289-A317 HydrophobicContact CG2-CB 3.84Å; I289-F318 HydrophobicContact CD1-CE1 4.38Å; I289-F318 HydrophobicContact CD1-CZ 4.18Å; I289-L329 HydrophobicContact CD1-CD2 4.09Å
290	N	91.6	Very high	95.3	Very high	65 Å²	65	39.4 Å²	39.4	35%	0.348	21%	0.208	S	C	.	.			trans	-66.1	158.1	177	-83.6	-62.7	0	0	0	114.1	E288 W293	E288-N290 VanDerWaalsContact CD-ND2 3.32Å; E288-N290 PolarHBondContact OE1-ND2 2.8Å; N290-W293 PolarHBondContact O-NE1 3.41Å
291	A	89.6	Confident	95.2	Very high	37 Å²	37	39.9 Å²	39.9	31%	0.306	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	147.9	169.3	0	0	0	0	0	113.7	W293 D314 S316	A291-W293 VanDerWaalsContact C-N 3.27Å; A291-W293 PolarHBondContact O-N 3.02Å; A291-D314 HydrophobicContact CB-CB 4.43Å; A291-D314 WeakPolarHBondContact CB-OD2 3.3Å; A291-S316 WeakPolarHBondContact CB-OG 3.1Å
292	G	86.3	Confident	95.2	Very high	36 Å²	36	41.6 Å²	41.6	37%	0.371	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	-17.7	157.7	0	0	0	0	0	117.8	D295	G292-D295 WeakPolarHBondContact CA-OD1 3.13Å; G292-D295 WeakPolarHBondContact O-CB 3.11Å
293	W	92.6	Very high	95.2	Very high	14 Å²	14	40.1 Å²	40.1	5%	0.053	21%	0.212	C	C	.	.	S	Bend	trans	-77.7	-26.5	180	77	-91	0	0	0	112.9	V265 V270 F279 I289 N290 A291 P296 F305	V265-W293 HydrophobicContact CG1-CD2 4.39Å; V265-W293 HydrophobicContact CG1-CE3 3.84Å; V265-W293 HydrophobicContact CG1-CH2 4.48Å; V265-W293 HydrophobicContact CG1-CZ3 3.89Å; V270-W293 HydrophobicContact CG1-CE3 4.44Å; V270-W293 HydrophobicContact CG1-CZ3 4.16Å; V270-W293 HydrophobicContact CG2-CE3 4.01Å; V270-W293 HydrophobicContact CG2-CZ3 4.42Å; V270-W293 WeakPolarHBondContact CG2-O 3.19Å; F279-W293 HydrophobicContact CE1-CH2 4.02Å; F279-W293 AromaticContact CE1-CZ3 3.98Å; F279-W293 HydrophobicContact CE1-CZ3 3.98Å; F279-W293 HydrophobicContact CZ-CZ3 4.34Å; I289-W293 HydrophobicContact CG2-CZ2 4.29Å; N290-W293 PolarHBondContact O-NE1 3.41Å; A291-W293 VanDerWaalsContact C-N 3.27Å; A291-W293 PolarHBondContact O-N 3.02Å; W293-P296 WeakPolarHBondContact O-CD 3.16Å; W293-F305 AromaticContact CH2-CE1 3.96Å; W293-F305 HydrophobicContact CH2-CE1 3.96Å; W293-F305 AromaticContact CH2-CZ 3.84Å; W293-F305 HydrophobicContact CH2-CZ 3.84Å; W293-F305 AromaticContact CZ2-CE1 3.92Å; W293-F305 HydrophobicContact CZ2-CE1 3.92Å; W293-F305 AromaticContact CZ2-CZ 3.93Å; W293-F305 HydrophobicContact CZ2-CZ 3.93Å
294	L	95.8	Very high	95.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.206	C	C	.	.	S	Bend	trans	-82.1	-18.3	173.8	-70	172.3	0	0	0	113.6	F279 I289 P296 L297 F305 F318 L321	F279-L294 HydrophobicContact CE1-CD2 4.32Å; I289-L294 HydrophobicContact CG2-CD1 3.75Å; L294-P296 VanDerWaalsContact C-N 3.27Å; L294-P296 WeakPolarHBondContact O-CD 3.09Å; L294-L297 HydrophobicContact CD2-CD1 3.75Å; L294-L297 WeakPolarHBondContact O-CB 3.48Å; L294-L297 PolarHBondContact O-N 2.98Å; L294-F305 HydrophobicContact CD1-CE2 4.45Å; L294-F305 HydrophobicContact CD1-CZ 4.18Å; L294-F305 HydrophobicContact CD2-CZ 4.19Å; L294-F318 HydrophobicContact CD1-CD1 4.08Å; L294-F318 HydrophobicContact CD1-CE1 3.9Å; L294-L321 HydrophobicContact CB-CD1 4.21Å; L294-L321 HydrophobicContact CD1-CD1 4.44Å
295	D	93.9	Very high	95.2	Very high	44 Å²	44	39.4 Å²	39.4	24%	0.235	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44.5	-37.8	-179.2	-80.6	40.2	0	0	0	115.6	G292 L297 R320	G292-D295 WeakPolarHBondContact CA-OD1 3.13Å; G292-D295 WeakPolarHBondContact O-CB 3.11Å; D295-L297 PolarHBondContact O-N 3.47Å; D295-R320 HydrophobicContact CB-CB 4.49Å; D295-R320 HydrophobicContact CB-CG 3.75Å; D295-R320 WeakPolarHBondContact OD2-CG 3.35Å; D295-R320 IonicContact OD2-CZ 3.32Å; D295-R320 IonicContact OD2-NE 3.58Å; D295-R320 PolarHBondContact OD2-NE 2.7Å; D295-R320 IonicContact OD2-NH2 3.29Å
296	P	94.7	Very high	95.1	Very high	35 Å²	35	37 Å²	37	23%	0.227	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-12.2	178.1	-22.6	35.3	0	0	0	115.6	R271 W293 L294 E298	R271-P296 HydrophobicContact CB-CG 4.42Å; W293-P296 WeakPolarHBondContact O-CD 3.16Å; L294-P296 VanDerWaalsContact C-N 3.27Å; L294-P296 WeakPolarHBondContact O-CD 3.09Å; P296-E298 VanDerWaalsContact C-N 3.26Å; P296-E298 PolarHBondContact O-N 2.99Å
297	L	95.8	Very high	95.2	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.211	C	C	.	.			trans	-89.4	40.2	-174.3	-56.5	-172.3	0	0	0	112.9	V270 L273 L276 F279 L294 D295 R299 V300 L321	V270-L297 HydrophobicContact CB-CD2 4.15Å; V270-L297 HydrophobicContact CG2-CD1 4.46Å; V270-L297 HydrophobicContact CG2-CD2 4.26Å; V270-L297 HydrophobicContact CG2-CG 4.23Å; L273-L297 HydrophobicContact CB-CD2 3.61Å; L273-L297 HydrophobicContact CD1-CD2 4.44Å; L276-L297 HydrophobicContact CB-CD2 4.34Å; L276-L297 HydrophobicContact CD2-CD1 4.34Å; L276-L297 HydrophobicContact CD2-CD2 3.76Å; F279-L297 HydrophobicContact CD1-CD1 3.87Å; F279-L297 HydrophobicContact CE1-CD1 4.37Å; F279-L297 HydrophobicContact CG-CD1 4.38Å; L294-L297 HydrophobicContact CD2-CD1 3.75Å; L294-L297 WeakPolarHBondContact O-CB 3.48Å; L294-L297 PolarHBondContact O-N 2.98Å; D295-L297 PolarHBondContact O-N 3.47Å; L297-R299 PolarHBondContact O-N 2.97Å; L297-V300 HydrophobicContact CB-CB 4.15Å; L297-V300 HydrophobicContact CB-CG1 4.15Å; L297-V300 WeakPolarHBondContact O-CB 3.3Å; L297-V300 WeakPolarHBondContact O-CG1 3.21Å; L297-V300 PolarHBondContact O-N 2.88Å; L297-L321 HydrophobicContact CB-CD2 4.09Å
298	E	91.9	Very high	95.2	Very high	108 Å²	108	35.3 Å²	35.3	51%	0.505	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.4	-33.5	-172.6	-61.9	176.6	175.9	0	0	115	P296 H323	P296-E298 VanDerWaalsContact C-N 3.26Å; P296-E298 PolarHBondContact O-N 2.99Å; E298-H323 PolarHBondContact O-CD2 2.66Å
299	R	96.1	Very high	95.4	Very high	114 Å²	114	36.1 Å²	36.1	43%	0.43	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	4.8	-176.1	-70.2	-170.9	176.1	73.6	8.6	115	S274 L276 L297 E301	S274-R299 WeakPolarHBondContact O-CD 3.12Å; S274-R299 PolarHBondContact O-NH1 2.94Å; L276-R299 CarbonylContact O-C 3.1Å; L297-R299 PolarHBondContact O-N 2.97Å; R299-E301 PolarHBondContact O-N 3.04Å
300	V	97.4	Very high	95.5	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.183	C	C	.	.			trans	-66.8	132.7	-174.4	77.3	0	0	0	0	111.3	L276 R277 F279 L297 V302 L303 L321 H323 L324	L276-V300 WeakPolarHBondContact O-CA 3.42Å; L276-V300 PolarHBondContact O-N 3.04Å; L276-V300 VanDerWaalsContact O-N 3.13Å; R277-V300 WeakPolarHBondContact O-CG2 3.26Å; F279-V300 HydrophobicContact CB-CG2 4.32Å; L297-V300 HydrophobicContact CB-CB 4.15Å; L297-V300 HydrophobicContact CB-CG1 4.15Å; L297-V300 WeakPolarHBondContact O-CB 3.3Å; L297-V300 WeakPolarHBondContact O-CG1 3.21Å; L297-V300 PolarHBondContact O-N 2.88Å; V300-V302 WeakPolarHBondContact CG2-O 3.41Å; V300-L303 HydrophobicContact CB-CD2 4.47Å; V300-L303 HydrophobicContact CG1-CD1 4.29Å; V300-L303 HydrophobicContact CG1-CD2 4.04Å; V300-L303 HydrophobicContact CG1-CG 4.11Å; V300-L303 HydrophobicContact CG2-CD2 3.67Å; V300-L303 HydrophobicContact CG2-CG 4.13Å; V300-L321 HydrophobicContact CG1-CB 4.18Å; V300-L321 HydrophobicContact CG1-CD1 4.23Å; V300-L321 HydrophobicContact CG1-CD2 4.12Å; V300-L321 HydrophobicContact CG1-CG 4.4Å; V300-H323 CarbonylContact O-C 3.09Å; V300-L324 VanDerWaalsContact O-CA 3.28Å; V300-L324 WeakPolarHBondContact O-CA 3.47Å; V300-L324 PolarHBondContact O-N 2.81Å; V300-L324 VanDerWaalsContact O-N 3.07Å
301	E	97.2	Very high	95.7	Very high	37 Å²	37	35.9 Å²	35.9	17%	0.173	19%	0.185	C	C	.	.			trans	-109.4	-31.7	-178.2	-60.4	-175.5	-141.9	0	0	111.4	R277 R299 K325 L326	R277-E301 HydrophobicContact CB-CG 4.36Å; R277-E301 WeakPolarHBondContact CD-OE1 3.46Å; R277-E301 IonicContact CZ-OE1 3.08Å; R277-E301 IonicContact NE-OE1 3.98Å; R277-E301 IonicContact NH1-OE1 3.56Å; R277-E301 PolarHBondContact NH1-OE1 3.1Å; R277-E301 PolarHBondContact O-N 3.4Å; R299-E301 PolarHBondContact O-N 3.04Å; E301-K325 HydrophobicContact CB-CD 4.35Å; E301-K325 WeakPolarHBondContact O-CA 3.21Å; E301-K325 PolarHBondContact O-N 3.12Å; E301-K325 VanDerWaalsContact OE2-CE 3.27Å; E301-K325 WeakPolarHBondContact OE2-CE 3.28Å; E301-K325 IonicContact OE2-NZ 3.4Å; E301-K325 PolarHBondContact OE2-NZ 3.06Å; E301-L326 PolarHBondContact O-N 3.42Å
302	V	97.5	Very high	95.9	Very high	35 Å²	35	38.9 Å²	38.9	21%	0.212	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	119.9	-178	178	0	0	0	0	109.3	R277 E278 F279 L280 V300 L326	R277-V302 PolarHBondContact O-N 2.75Å; E278-V302 HydrophobicContact CB-CB 4.49Å; E278-V302 HydrophobicContact CG-CB 4.1Å; E278-V302 HydrophobicContact CG-CG2 4.27Å; F279-V302 PolarHBondContact N-O 3.04Å; L280-V302 HydrophobicContact CD2-CG1 4.17Å; V300-V302 WeakPolarHBondContact CG2-O 3.41Å; V302-L326 WeakPolarHBondContact CA-O 3.09Å; V302-L326 HydrophobicContact CG1-CD2 4.3Å; V302-L326 HydrophobicContact CG2-CB 4.39Å
303	L	97.9	Very high	96.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	129.5	169.8	-68.9	175.4	0	0	0	109.8	F279 V300 F305 F318 L321 L324 L326 L327 R328	F279-L303 HydrophobicContact CB-CD2 4.01Å; F279-L303 HydrophobicContact CD1-CD2 4.04Å; F279-L303 WeakPolarHBondContact O-CA 3.38Å; V300-L303 HydrophobicContact CB-CD2 4.47Å; V300-L303 HydrophobicContact CG1-CD1 4.29Å; V300-L303 HydrophobicContact CG1-CD2 4.04Å; V300-L303 HydrophobicContact CG1-CG 4.11Å; V300-L303 HydrophobicContact CG2-CD2 3.67Å; V300-L303 HydrophobicContact CG2-CG 4.13Å; L303-F305 HydrophobicContact CB-CD2 4.43Å; L303-F305 HydrophobicContact CB-CE2 4.36Å; L303-F305 HydrophobicContact CD2-CE2 4.37Å; L303-F318 HydrophobicContact CD1-CD1 4.41Å; L303-F318 HydrophobicContact CD1-CE1 4.48Å; L303-L321 HydrophobicContact CD1-CD1 3.68Å; L303-L324 HydrophobicContact CB-CD1 4.04Å; L303-L324 HydrophobicContact CD1-CD1 3.63Å; L303-L324 HydrophobicContact CD1-CD2 3.9Å; L303-L324 HydrophobicContact CD1-CG 4.42Å; L303-L324 HydrophobicContact CG-CD1 3.62Å; L303-L326 PolarHBondContact N-O 2.84Å; L303-L327 HydrophobicContact CB-CD1 3.74Å; L303-L327 HydrophobicContact CD1-CD1 4.18Å; L303-L327 WeakPolarHBondContact O-CA 3.2Å; L303-R328 PolarHBondContact O-N 2.85Å
304	D	98.2	Very high	96.5	Very high	10 Å²	10	40 Å²	40	5%	0.053	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	112.3	173.2	-151.4	-36	0	0	0	111.6	F279 L280 I281 D282 S306 R328	F279-D304 PolarHBondContact O-N 3.1Å; L280-D304 HydrophobicContact CB-CB 4.49Å; L280-D304 HydrophobicContact CD2-CB 3.59Å; I281-D304 CarbonylContact C-O 3.54Å; I281-D304 WeakPolarHBondContact CG2-O 3.39Å; I281-D304 PolarHBondContact N-O 3.15Å; D282-D304 HydrophobicContact CB-CB 4.48Å; D282-D304 PolarHBondContact N-O 3.26Å; D304-S306 WeakPolarHBondContact OD1-CB 3.42Å; D304-S306 PolarHBondContact OD1-N 3.07Å; D304-S306 PolarHBondContact OD1-OG 3.24Å; D304-R328 WeakPolarHBondContact OD1-CB 3.21Å; D304-R328 VanDerWaalsContact OD2-CD 3.3Å; D304-R328 WeakPolarHBondContact OD2-CD 3.3Å; D304-R328 IonicContact OD2-CZ 3.4Å; D304-R328 IonicContact OD2-NE 2.96Å; D304-R328 IonicContact OD2-NH1 2.76Å; D304-R328 PolarHBondContact OD2-NH1 3.25Å
305	F	98.1	Very high	96.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.226	C	C	.	.			trans	-116.8	20.2	174.7	-74.9	-91.2	0	0	0	110.9	F279 I281 L286 I289 W293 L294 L303 N308 L310 R328 L329 N332	F279-F305 HydrophobicContact CE1-CZ 4.5Å; I281-F305 HydrophobicContact CG2-CD1 3.49Å; I281-F305 VanDerWaalsContact CG2-CD1 3.49Å; I281-F305 HydrophobicContact CG2-CD2 4.46Å; I281-F305 HydrophobicContact CG2-CE1 3.47Å; I281-F305 VanDerWaalsContact CG2-CE1 3.47Å; I281-F305 HydrophobicContact CG2-CE2 4.44Å; I281-F305 HydrophobicContact CG2-CG 4.02Å; I281-F305 HydrophobicContact CG2-CZ 3.97Å; L286-F305 HydrophobicContact CD1-CD1 4.05Å; L286-F305 HydrophobicContact CD1-CE1 4.06Å; I289-F305 HydrophobicContact CD1-CD1 3.78Å; I289-F305 HydrophobicContact CD1-CD2 4.12Å; I289-F305 HydrophobicContact CD1-CE1 3.83Å; I289-F305 HydrophobicContact CD1-CE2 4.17Å; I289-F305 HydrophobicContact CD1-CG 3.93Å; I289-F305 HydrophobicContact CD1-CZ 4.03Å; I289-F305 HydrophobicContact CG1-CD1 4.32Å; I289-F305 HydrophobicContact CG1-CE1 4.18Å; W293-F305 AromaticContact CH2-CE1 3.96Å; W293-F305 HydrophobicContact CH2-CE1 3.96Å; W293-F305 AromaticContact CH2-CZ 3.84Å; W293-F305 HydrophobicContact CH2-CZ 3.84Å; W293-F305 AromaticContact CZ2-CE1 3.92Å; W293-F305 HydrophobicContact CZ2-CE1 3.92Å; W293-F305 AromaticContact CZ2-CZ 3.93Å; W293-F305 HydrophobicContact CZ2-CZ 3.93Å; L294-F305 HydrophobicContact CD1-CE2 4.45Å; L294-F305 HydrophobicContact CD1-CZ 4.18Å; L294-F305 HydrophobicContact CD2-CZ 4.19Å; L303-F305 HydrophobicContact CB-CD2 4.43Å; L303-F305 HydrophobicContact CB-CE2 4.36Å; L303-F305 HydrophobicContact CD2-CE2 4.37Å; F305-N308 PolarHBondContact O-ND2 3.45Å; F305-L310 HydrophobicContact CB-CD1 3.99Å; F305-L310 HydrophobicContact CD1-CD1 4.34Å; F305-L310 HydrophobicContact CG-CD1 4.48Å; F305-R328 PolarHBondContact N-O 3.33Å; F305-L329 HydrophobicContact CB-CD2 3.88Å; F305-N332 PolarHBondContact O-ND2 3.01Å
306	S	97.8	Very high	96.3	Very high	1 Å²	1	45 Å²	45	1%	0.007	23%	0.23	C	C	.	.			trans	-57.2	156.2	179.9	-58.8	0	0	0	0	112.8	D282 G283 D304 N308 R328 K330	D282-S306 CarbonylContact C-O 3.4Å; D282-S306 WeakPolarHBondContact CA-O 3.49Å; D282-S306 WeakPolarHBondContact CB-O 3.48Å; G283-S306 PolarHBondContact N-O 2.97Å; D304-S306 WeakPolarHBondContact OD1-CB 3.42Å; D304-S306 PolarHBondContact OD1-N 3.07Å; D304-S306 PolarHBondContact OD1-OG 3.24Å; S306-N308 PolarHBondContact O-N 3.07Å; S306-N308 PolarHBondContact O-ND2 2.93Å; S306-R328 WeakPolarHBondContact OG-CB 3.29Å; S306-K330 CarbonylContact C-O 3.52Å; S306-K330 VanDerWaalsContact CA-O 3.28Å; S306-K330 WeakPolarHBondContact CA-O 3.36Å; S306-K330 VanDerWaalsContact CB-CE 3.41Å; S306-K330 WeakPolarHBondContact OG-CE 3.28Å; S306-K330 WeakPolarHBondContact OG-CG 3.49Å
307	H	97.9	Very high	96.3	Very high	91 Å²	91	43.3 Å²	43.3	42%	0.421	22%	0.22	S	C	.	.	S	Bend	trans	52.8	42.9	169.9	-55.4	-82.8	0	0	0	112.7	G283 N284 K330 N331	G283-H307 VanDerWaalsContact CA-O 3.23Å; G283-H307 WeakPolarHBondContact CA-O 3.26Å; G283-H307 PolarHBondContact N-O 2.96Å; N284-H307 PolarHBondContact N-O 3.22Å; H307-K330 PolarHBondContact N-O 2.84Å; H307-K330 PolarHBondContact NE2-NZ 3.15Å; H307-K330 VanDerWaalsContact NE2-NZ 3.15Å; H307-N331 WeakPolarHBondContact CA-O 3.4Å; H307-N331 PolarHBondContact CE1-ND2 3.05Å; H307-N331 PolarHBondContact N-O 2.52Å
308	N	98.4	Very high	96.2	Very high	8 Å²	8	43.3 Å²	43.3	4%	0.043	22%	0.22	C	C	.	.	S	Bend	trans	-109.7	-167.2	173.4	-90.7	-94	0	0	0	109.4	I281 N284 L286 F305 S306 L310 N332	I281-N308 PolarHBondContact O-ND2 2.87Å; N284-N308 VanDerWaalsContact C-OD1 3.24Å; N284-N308 WeakPolarHBondContact CA-OD1 3.39Å; N284-N308 WeakPolarHBondContact CB-OD1 3.45Å; N284-N308 WeakPolarHBondContact O-CA 3.44Å; N284-N308 PolarHBondContact O-OD1 3.3Å; L286-N308 HydrophobicContact CB-CB 4.45Å; L286-N308 VanDerWaalsContact CB-OD1 3.27Å; L286-N308 WeakPolarHBondContact CB-OD1 3.48Å; L286-N308 WeakPolarHBondContact CG-OD1 3.38Å; L286-N308 PolarHBondContact N-OD1 3.02Å; F305-N308 PolarHBondContact O-ND2 3.45Å; S306-N308 PolarHBondContact O-N 3.07Å; S306-N308 PolarHBondContact O-ND2 2.93Å; N308-L310 HydrophobicContact CB-CG 4.09Å; N308-N332 VanDerWaalsContact CA-OD1 3.23Å; N308-N332 WeakPolarHBondContact CA-OD1 3.39Å; N308-N332 WeakPolarHBondContact CB-OD1 3.29Å; N308-N332 PolarHBondContact N-OD1 2.86Å; N308-N332 PolarHBondContact O-OD1 3.07Å
309	R	97.9	Very high	96.2	Very high	121 Å²	121	39.6 Å²	39.6	46%	0.457	21%	0.205	S	C	.	.			trans	-108.1	20.6	177.5	-57.9	-179.3	176.3	-82.7	-5.4	112.3	L286 E287 V311 N332 F333	L286-R309 CarbonylContact O-C 3.17Å; L286-R309 WeakPolarHBondContact O-CA 3.19Å; L286-R309 WeakPolarHBondContact O-CB 3.31Å; L286-R309 PolarHBondContact O-N 3.5Å; E287-R309 HydrophobicContact CG-CB 4.12Å; R309-V311 PolarHBondContact O-N 2.94Å; R309-N332 PolarHBondContact N-OD1 2.9Å; R309-F333 HydrophobicContact CB-CD2 4.21Å; R309-F333 HydrophobicContact CB-CE2 4.22Å; R309-F333 HydrophobicContact CG-CE2 4.3Å
310	L	97.9	Very high	96.1	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.211	C	C	.	.			trans	-62.5	119.9	-167.2	-63	174.4	0	0	0	111.5	L286 E287 I289 F305 N308 L329 N332 F333 L334	L286-L310 HydrophobicContact CB-CD2 3.9Å; L286-L310 PolarHBondContact O-N 3.38Å; L286-L310 VanDerWaalsContact O-N 3.09Å; E287-L310 WeakPolarHBondContact O-CA 3.28Å; I289-L310 HydrophobicContact CD1-CD1 3.77Å; I289-L310 HydrophobicContact CG1-CD1 3.92Å; I289-L310 HydrophobicContact CG1-CD2 3.78Å; F305-L310 HydrophobicContact CB-CD1 3.99Å; F305-L310 HydrophobicContact CD1-CD1 4.34Å; F305-L310 HydrophobicContact CG-CD1 4.48Å; N308-L310 HydrophobicContact CB-CG 4.09Å; L310-L329 HydrophobicContact CD1-CD2 3.74Å; L310-N332 HydrophobicContact CB-CB 4.1Å; L310-N332 VanDerWaalsContact CB-OD1 3.27Å; L310-N332 WeakPolarHBondContact CB-OD1 3.28Å; L310-N332 WeakPolarHBondContact CG-OD1 3.23Å; L310-N332 PolarHBondContact N-OD1 3.35Å; L310-F333 CarbonylContact O-C 3.05Å; L310-F333 VanDerWaalsContact O-CA 3.29Å; L310-F333 WeakPolarHBondContact O-CA 3.14Å; L310-F333 PolarHBondContact O-N 3.25Å; L310-L334 HydrophobicContact CB-CD2 3.97Å; L310-L334 WeakPolarHBondContact O-CD2 3.38Å; L310-L334 PolarHBondContact O-N 3.11Å
311	V	96.5	Very high	96.1	Very high	63 Å²	63	41 Å²	41	38%	0.382	21%	0.211	S	C	.	.			trans	-97.5	-39.8	173	-177	0	0	0	0	110.4	E287 R309 F333	E287-V311 PolarHBondContact O-N 3.45Å; R309-V311 PolarHBondContact O-N 2.94Å; V311-F333 HydrophobicContact CG2-CB 4.2Å
312	N	93.7	Very high	95.9	Very high	99 Å²	99	45.9 Å²	45.9	53%	0.529	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	147.6	-175	-65.7	-39.2	0	0	0	112.2	E288 I289	E288-N312 WeakPolarHBondContact CA-O 3.09Å; I289-N312 PolarHBondContact N-O 3.11Å; I289-N312 VanDerWaalsContact N-O 3.15Å
313	V	96.2	Very high	95.8	Very high	22 Å²	22	49.1 Å²	49.1	13%	0.133	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	128.9	169.8	178.7	0	0	0	0	107.5	I289 A317 F318 L334 L337 I341	I289-V313 HydrophobicContact CB-CG1 4.18Å; I289-V313 HydrophobicContact CB-CG2 4.4Å; I289-V313 HydrophobicContact CD1-CG2 4.19Å; I289-V313 HydrophobicContact CG1-CG2 4.33Å; V313-A317 HydrophobicContact CG1-CB 4.12Å; V313-F318 HydrophobicContact CG1-CE2 3.98Å; V313-F318 HydrophobicContact CG1-CZ 3.93Å; V313-L334 HydrophobicContact CG2-CD2 3.89Å; V313-L337 HydrophobicContact CB-CD1 4.21Å; V313-I341 HydrophobicContact CB-CD1 4.44Å; V313-I341 HydrophobicContact CG1-CD1 3.47Å; V313-I341 VanDerWaalsContact CG1-CD1 3.47Å
314	D	95.1	Very high	95.7	Very high	51 Å²	51	49.1 Å²	49.1	27%	0.273	24%	0.244	S	C	.	.			trans	-66.3	134.3	179.7	-175.6	-73.7	0	0	0	111.2	I289 A291 S316 A317 I341	I289-D314 VanDerWaalsContact O-CB 3.29Å; I289-D314 WeakPolarHBondContact O-CB 3.43Å; I289-D314 PolarHBondContact O-N 2.93Å; A291-D314 HydrophobicContact CB-CB 4.43Å; A291-D314 WeakPolarHBondContact CB-OD2 3.3Å; D314-S316 PolarHBondContact O-N 3.41Å; D314-S316 WeakPolarHBondContact OD1-CA 3.36Å; D314-S316 VanDerWaalsContact OD1-CB 3.3Å; D314-S316 WeakPolarHBondContact OD1-CB 3.02Å; D314-S316 PolarHBondContact OD1-N 3.2Å; D314-S316 PolarHBondContact OD1-OG 2.88Å; D314-A317 HydrophobicContact CB-CB 4.28Å; D314-A317 WeakPolarHBondContact O-CB 3.12Å; D314-A317 PolarHBondContact O-N 3.25Å; D314-I341 WeakPolarHBondContact O-CD1 3.08Å
315	P	92.2	Very high	95.4	Very high	104 Å²	104	52.5 Å²	52.5	68%	0.675	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-18.1	-179.3	-26.4	35.1	0	0	0	115.5
316	S	93.1	Very high	95.3	Very high	45 Å²	45	54 Å²	54	32%	0.315	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-9.3	176.8	73.7	0	0	0	0	114.3	A291 D314 F318 S319	A291-S316 WeakPolarHBondContact CB-OG 3.1Å; D314-S316 PolarHBondContact O-N 3.41Å; D314-S316 WeakPolarHBondContact OD1-CA 3.36Å; D314-S316 VanDerWaalsContact OD1-CB 3.3Å; D314-S316 WeakPolarHBondContact OD1-CB 3.02Å; D314-S316 PolarHBondContact OD1-N 3.2Å; D314-S316 PolarHBondContact OD1-OG 2.88Å; S316-F318 VanDerWaalsContact C-N 3.25Å; S316-F318 PolarHBondContact O-N 3.17Å; S316-S319 VanDerWaalsContact O-CB 3.22Å; S316-S319 WeakPolarHBondContact O-CB 2.96Å; S316-S319 PolarHBondContact O-N 3.32Å; S316-S319 PolarHBondContact O-OG 2.98Å
317	A	94.5	Very high	95.2	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.008	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-31.3	-166.5	0	0	0	0	0	115.2	I289 V313 D314	I289-A317 HydrophobicContact CG2-CB 3.84Å; V313-A317 HydrophobicContact CG1-CB 4.12Å; D314-A317 HydrophobicContact CB-CB 4.28Å; D314-A317 WeakPolarHBondContact O-CB 3.12Å; D314-A317 PolarHBondContact O-N 3.25Å
318	F	94.8	Very high	95.1	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	2	-179.2	-50.6	-41.2	0	0	0	113.9	I289 L294 L303 V313 S316 R320 L321 L327 I341 F342 N345	I289-F318 HydrophobicContact CD1-CE1 4.38Å; I289-F318 HydrophobicContact CD1-CZ 4.18Å; L294-F318 HydrophobicContact CD1-CD1 4.08Å; L294-F318 HydrophobicContact CD1-CE1 3.9Å; L303-F318 HydrophobicContact CD1-CD1 4.41Å; L303-F318 HydrophobicContact CD1-CE1 4.48Å; V313-F318 HydrophobicContact CG1-CE2 3.98Å; V313-F318 HydrophobicContact CG1-CZ 3.93Å; S316-F318 VanDerWaalsContact C-N 3.25Å; S316-F318 PolarHBondContact O-N 3.17Å; F318-R320 VanDerWaalsContact C-N 3.28Å; F318-R320 PolarHBondContact O-N 3.29Å; F318-R320 VanDerWaalsContact O-N 3.14Å; F318-L321 HydrophobicContact CB-CD1 4.3Å; F318-L321 HydrophobicContact CD1-CD1 3.92Å; F318-L321 WeakPolarHBondContact O-CB 3.41Å; F318-L321 PolarHBondContact O-N 3.06Å; F318-L327 HydrophobicContact CD2-CD2 4.04Å; F318-L327 HydrophobicContact CE1-CD1 4.47Å; F318-L327 HydrophobicContact CE2-CD2 3.6Å; F318-L327 HydrophobicContact CZ-CD1 4.17Å; F318-L327 HydrophobicContact CZ-CD2 3.99Å; F318-I341 HydrophobicContact CD2-CD1 3.59Å; F318-I341 HydrophobicContact CD2-CG1 3.78Å; F318-I341 HydrophobicContact CE2-CD1 3.7Å; F318-I341 HydrophobicContact CE2-CG1 4.38Å; F318-I341 HydrophobicContact CG-CD1 4.49Å; F318-F342 HydrophobicContact CD2-CD1 4.48Å; F318-F342 AromaticContact CD2-CE1 3.95Å; F318-F342 HydrophobicContact CD2-CE1 3.95Å; F318-F342 HydrophobicContact CE2-CE1 4.24Å; F318-N345 PolarHBondContact O-ND2 3.35Å
319	S	92.5	Very high	95	Very high	29 Å²	29	52.8 Å²	52.8	20%	0.203	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-26.8	-170.4	64	0	0	0	0	115.5	S316 F344	S316-S319 VanDerWaalsContact O-CB 3.22Å; S316-S319 WeakPolarHBondContact O-CB 2.96Å; S316-S319 PolarHBondContact O-N 3.32Å; S316-S319 PolarHBondContact O-OG 2.98Å; S319-F344 WeakPolarHBondContact O-CB 3.43Å
320	R	94.3	Very high	94.9	Very high	144 Å²	144	49.3 Å²	49.3	54%	0.543	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-14.6	175.1	-59.2	-52.7	-173.4	179.4	-3.6	114.4	D295 F318 K322	D295-R320 HydrophobicContact CB-CB 4.49Å; D295-R320 HydrophobicContact CB-CG 3.75Å; D295-R320 WeakPolarHBondContact OD2-CG 3.35Å; D295-R320 IonicContact OD2-CZ 3.32Å; D295-R320 IonicContact OD2-NE 3.58Å; D295-R320 PolarHBondContact OD2-NE 2.7Å; D295-R320 IonicContact OD2-NH2 3.29Å; F318-R320 VanDerWaalsContact C-N 3.28Å; F318-R320 PolarHBondContact O-N 3.29Å; F318-R320 VanDerWaalsContact O-N 3.14Å; R320-K322 PolarHBondContact O-N 3.48Å
321	L	95.3	Very high	94.8	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.259	C	S	.	.			trans	-87.9	58.8	-161.4	-47.7	-175.9	0	0	0	110.7	L294 L297 V300 L303 F318 H323 L324 N345	L294-L321 HydrophobicContact CB-CD1 4.21Å; L294-L321 HydrophobicContact CD1-CD1 4.44Å; L297-L321 HydrophobicContact CB-CD2 4.09Å; V300-L321 HydrophobicContact CG1-CB 4.18Å; V300-L321 HydrophobicContact CG1-CD1 4.23Å; V300-L321 HydrophobicContact CG1-CD2 4.12Å; V300-L321 HydrophobicContact CG1-CG 4.4Å; L303-L321 HydrophobicContact CD1-CD1 3.68Å; F318-L321 HydrophobicContact CB-CD1 4.3Å; F318-L321 HydrophobicContact CD1-CD1 3.92Å; F318-L321 WeakPolarHBondContact O-CB 3.41Å; F318-L321 PolarHBondContact O-N 3.06Å; L321-H323 PolarHBondContact O-N 2.67Å; L321-H323 VanDerWaalsContact O-N 3.1Å; L321-L324 HydrophobicContact CB-CB 4.21Å; L321-L324 HydrophobicContact CB-CD2 4.48Å; L321-L324 WeakPolarHBondContact O-CB 3.4Å; L321-L324 PolarHBondContact O-N 3.32Å; L321-L324 VanDerWaalsContact O-N 3.08Å; L321-N345 PolarHBondContact O-ND2 2.58Å
322	K	93.3	Very high	94.9	Very high	139 Å²	139	49 Å²	49	60%	0.604	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-16.2	-170.2	-66.2	179	-179.1	-177.7	0	114.5	R320 V347	R320-K322 PolarHBondContact O-N 3.48Å; K322-V347 WeakPolarHBondContact O-CG2 3.19Å
323	H	95.8	Very high	95.1	Very high	104 Å²	104	49.6 Å²	49.6	48%	0.481	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102	2.8	178.8	-69	-62.6	0	0	0	114	E298 V300 L321 K325	E298-H323 PolarHBondContact O-CD2 2.66Å; V300-H323 CarbonylContact O-C 3.09Å; L321-H323 PolarHBondContact O-N 2.67Å; L321-H323 VanDerWaalsContact O-N 3.1Å; H323-K325 PolarHBondContact O-N 3.31Å
324	L	95.6	Very high	95.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.234	C	C	.	.			trans	-64.6	114.5	-176.6	-176.7	61.5	0	0	0	111.6	V300 L303 L321 L326 L327 V347 L348	V300-L324 VanDerWaalsContact O-CA 3.28Å; V300-L324 WeakPolarHBondContact O-CA 3.47Å; V300-L324 PolarHBondContact O-N 2.81Å; V300-L324 VanDerWaalsContact O-N 3.07Å; L303-L324 HydrophobicContact CB-CD1 4.04Å; L303-L324 HydrophobicContact CD1-CD1 3.63Å; L303-L324 HydrophobicContact CD1-CD2 3.9Å; L303-L324 HydrophobicContact CD1-CG 4.42Å; L303-L324 HydrophobicContact CG-CD1 3.62Å; L321-L324 HydrophobicContact CB-CB 4.21Å; L321-L324 HydrophobicContact CB-CD2 4.48Å; L321-L324 WeakPolarHBondContact O-CB 3.4Å; L321-L324 PolarHBondContact O-N 3.32Å; L321-L324 VanDerWaalsContact O-N 3.08Å; L324-L326 WeakPolarHBondContact CD1-O 3.36Å; L324-L327 HydrophobicContact CD2-CB 4.33Å; L324-V347 CarbonylContact O-C 3.49Å; L324-L348 HydrophobicContact CD2-CD1 4.42Å; L324-L348 HydrophobicContact CG-CD1 4.05Å; L324-L348 VanDerWaalsContact O-CA 3.3Å; L324-L348 WeakPolarHBondContact O-CA 3.45Å; L324-L348 PolarHBondContact O-N 3.4Å
325	K	93.6	Very high	95.1	Very high	81 Å²	81	48 Å²	48	35%	0.352	23%	0.232	S	C	.	.			trans	-101.5	-35.1	178.4	-63	174.1	-175.5	168.9	0	112.4	E301 H323 Q349 N350	E301-K325 HydrophobicContact CB-CD 4.35Å; E301-K325 WeakPolarHBondContact O-CA 3.21Å; E301-K325 PolarHBondContact O-N 3.12Å; E301-K325 VanDerWaalsContact OE2-CE 3.27Å; E301-K325 WeakPolarHBondContact OE2-CE 3.28Å; E301-K325 IonicContact OE2-NZ 3.4Å; E301-K325 PolarHBondContact OE2-NZ 3.06Å; H323-K325 PolarHBondContact O-N 3.31Å; K325-Q349 PolarHBondContact O-N 2.87Å; K325-N350 PolarHBondContact O-N 2.97Å
326	L	94.1	Very high	95.1	Very high	30 Å²	30	44.9 Å²	44.9	16%	0.157	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	125.1	-175.8	-166.7	152.8	0	0	0	110.7	E301 V302 L303 L324 R328 N350	E301-L326 PolarHBondContact O-N 3.42Å; V302-L326 WeakPolarHBondContact CA-O 3.09Å; V302-L326 HydrophobicContact CG1-CD2 4.3Å; V302-L326 HydrophobicContact CG2-CB 4.39Å; L303-L326 PolarHBondContact N-O 2.84Å; L324-L326 WeakPolarHBondContact CD1-O 3.36Å; L326-R328 HydrophobicContact CD2-CG 3.59Å; L326-N350 WeakPolarHBondContact CA-O 3.23Å; L326-N350 HydrophobicContact CD1-CB 4.17Å; L326-N350 HydrophobicContact CG-CB 4.07Å
327	L	95.7	Very high	95.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	126.9	174.6	173.8	63.3	0	0	0	109.8	L303 F318 L324 L329 F342 L348 N350 I351 D352	L303-L327 HydrophobicContact CB-CD1 3.74Å; L303-L327 HydrophobicContact CD1-CD1 4.18Å; L303-L327 WeakPolarHBondContact O-CA 3.2Å; F318-L327 HydrophobicContact CD2-CD2 4.04Å; F318-L327 HydrophobicContact CE1-CD1 4.47Å; F318-L327 HydrophobicContact CE2-CD2 3.6Å; F318-L327 HydrophobicContact CZ-CD1 4.17Å; F318-L327 HydrophobicContact CZ-CD2 3.99Å; L324-L327 HydrophobicContact CD2-CB 4.33Å; L327-L329 HydrophobicContact CD1-CG 4.32Å; L327-L329 HydrophobicContact CD2-CD1 4.03Å; L327-L329 HydrophobicContact CG-CD1 4.31Å; L327-L329 HydrophobicContact CG-CG 4.32Å; L327-F342 HydrophobicContact CD2-CE1 3.69Å; L327-F342 HydrophobicContact CD2-CZ 4.33Å; L327-L348 HydrophobicContact CB-CD1 4.23Å; L327-N350 PolarHBondContact N-O 3.02Å; L327-N350 VanDerWaalsContact N-O 3.09Å; L327-I351 HydrophobicContact CB-CG1 4.32Å; L327-I351 HydrophobicContact CD2-CD1 4.03Å; L327-I351 HydrophobicContact CD2-CG1 4.32Å; L327-I351 HydrophobicContact CG-CG1 4.41Å; L327-I351 VanDerWaalsContact O-CA 3.31Å; L327-I351 WeakPolarHBondContact O-CA 3.23Å; L327-D352 PolarHBondContact O-N 3.29Å
328	R	96.4	Very high	95.1	Very high	75 Å²	75	45.1 Å²	45.1	28%	0.283	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	127.4	169.8	-49.9	-160.2	-174.9	90.6	3.4	111.4	L303 D304 F305 S306 L326 D352	L303-R328 PolarHBondContact O-N 2.85Å; D304-R328 WeakPolarHBondContact OD1-CB 3.21Å; D304-R328 VanDerWaalsContact OD2-CD 3.3Å; D304-R328 WeakPolarHBondContact OD2-CD 3.3Å; D304-R328 IonicContact OD2-CZ 3.4Å; D304-R328 IonicContact OD2-NE 2.96Å; D304-R328 IonicContact OD2-NH1 2.76Å; D304-R328 PolarHBondContact OD2-NH1 3.25Å; F305-R328 PolarHBondContact N-O 3.33Å; S306-R328 WeakPolarHBondContact OG-CB 3.29Å; L326-R328 HydrophobicContact CD2-CG 3.59Å; R328-D352 HydrophobicContact CB-CB 4.21Å; R328-D352 HydrophobicContact CG-CB 4.07Å
329	L	96.7	Very high	94.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.214	C	C	.	.			trans	-125.2	13.5	172.4	-69.9	163.3	0	0	0	110.9	I289 F305 L310 L327 N332 L334 L337 D352 L353 N356	I289-L329 HydrophobicContact CD1-CD2 4.09Å; F305-L329 HydrophobicContact CB-CD2 3.88Å; L310-L329 HydrophobicContact CD1-CD2 3.74Å; L327-L329 HydrophobicContact CD1-CG 4.32Å; L327-L329 HydrophobicContact CD2-CD1 4.03Å; L327-L329 HydrophobicContact CG-CD1 4.31Å; L327-L329 HydrophobicContact CG-CG 4.32Å; L329-N332 PolarHBondContact O-ND2 2.94Å; L329-L334 HydrophobicContact CB-CD1 4.13Å; L329-L334 HydrophobicContact CD1-CD1 4.3Å; L329-L337 HydrophobicContact CD1-CD2 4.46Å; L329-D352 CarbonylContact C-O 3.49Å; L329-D352 PolarHBondContact N-O 3.48Å; L329-L353 HydrophobicContact CB-CD2 4.1Å; L329-L353 HydrophobicContact CD1-CD2 4.09Å; L329-N356 PolarHBondContact O-ND2 2.95Å
330	K	95.3	Very high	94.7	Very high	48 Å²	48	51 Å²	51	21%	0.209	24%	0.238	C	C	.	.			trans	-56.7	149.9	-177.8	58.4	159.8	-173.6	160.7	0	112.9	S306 H307 N332 D352 H354	S306-K330 CarbonylContact C-O 3.52Å; S306-K330 VanDerWaalsContact CA-O 3.28Å; S306-K330 WeakPolarHBondContact CA-O 3.36Å; S306-K330 VanDerWaalsContact CB-CE 3.41Å; S306-K330 WeakPolarHBondContact OG-CE 3.28Å; S306-K330 WeakPolarHBondContact OG-CG 3.49Å; H307-K330 PolarHBondContact N-O 2.84Å; H307-K330 PolarHBondContact NE2-NZ 3.15Å; H307-K330 VanDerWaalsContact NE2-NZ 3.15Å; K330-N332 PolarHBondContact O-ND2 3.33Å; K330-D352 WeakPolarHBondContact CD-OD2 3.39Å; K330-D352 PolarHBondContact N-O 2.77Å; K330-H354 CarbonylContact C-O 3.16Å; K330-H354 WeakPolarHBondContact CA-O 3.12Å; K330-H354 WeakPolarHBondContact CD-CE1 3.33Å
331	N	96.6	Very high	94.6	Very high	55 Å²	55	44.4 Å²	44.4	29%	0.294	21%	0.214	S	C	.	.	S	Bend	trans	53.9	60.4	175.1	-52.9	-52.8	0	0	0	112	H307 H354 G355	H307-N331 WeakPolarHBondContact CA-O 3.4Å; H307-N331 PolarHBondContact CE1-ND2 3.05Å; H307-N331 PolarHBondContact N-O 2.52Å; N331-H354 PolarHBondContact N-O 3.12Å; N331-H354 PolarHBondContact ND2-NE2 3.17Å; N331-G355 WeakPolarHBondContact CA-O 3.21Å
332	N	98.1	Very high	94.4	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.016	22%	0.215	C	C	.	.	S	Bend	trans	-130.9	-171.6	175.1	-85.6	-79.6	0	0	0	108.6	F305 N308 R309 L310 L329 K330 L334 N356	F305-N332 PolarHBondContact O-ND2 3.01Å; N308-N332 VanDerWaalsContact CA-OD1 3.23Å; N308-N332 WeakPolarHBondContact CA-OD1 3.39Å; N308-N332 WeakPolarHBondContact CB-OD1 3.29Å; N308-N332 PolarHBondContact N-OD1 2.86Å; N308-N332 PolarHBondContact O-OD1 3.07Å; R309-N332 PolarHBondContact N-OD1 2.9Å; L310-N332 HydrophobicContact CB-CB 4.1Å; L310-N332 VanDerWaalsContact CB-OD1 3.27Å; L310-N332 WeakPolarHBondContact CB-OD1 3.28Å; L310-N332 WeakPolarHBondContact CG-OD1 3.23Å; L310-N332 PolarHBondContact N-OD1 3.35Å; L329-N332 PolarHBondContact O-ND2 2.94Å; K330-N332 PolarHBondContact O-ND2 3.33Å; N332-L334 HydrophobicContact CB-CG 4.35Å; N332-N356 WeakPolarHBondContact CA-OD1 3.26Å; N332-N356 WeakPolarHBondContact CB-OD1 3.44Å; N332-N356 WeakPolarHBondContact O-CA 3.28Å; N332-N356 PolarHBondContact O-OD1 3.47Å
333	F	97.3	Very high	94.3	Very high	111 Å²	111	41.3 Å²	41.3	49%	0.487	21%	0.213	S	C	.	.			trans	-110.2	24.9	-179.1	-58.6	-62.1	0	0	0	113.3	R309 L310 V311 T335	R309-F333 HydrophobicContact CB-CD2 4.21Å; R309-F333 HydrophobicContact CB-CE2 4.22Å; R309-F333 HydrophobicContact CG-CE2 4.3Å; L310-F333 CarbonylContact O-C 3.05Å; L310-F333 VanDerWaalsContact O-CA 3.29Å; L310-F333 WeakPolarHBondContact O-CA 3.14Å; L310-F333 PolarHBondContact O-N 3.25Å; V311-F333 HydrophobicContact CG2-CB 4.2Å; F333-T335 PolarHBondContact O-N 3.1Å
334	L	96.6	Very high	94	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.01	22%	0.218	C	C	.	.			trans	-63	130.5	-179	-57.6	175.8	0	0	0	110.4	L310 V313 L329 N332 N356 N357 W358	L310-L334 HydrophobicContact CB-CD2 3.97Å; L310-L334 WeakPolarHBondContact O-CD2 3.38Å; L310-L334 PolarHBondContact O-N 3.11Å; V313-L334 HydrophobicContact CG2-CD2 3.89Å; L329-L334 HydrophobicContact CB-CD1 4.13Å; L329-L334 HydrophobicContact CD1-CD1 4.3Å; N332-L334 HydrophobicContact CB-CG 4.35Å; L334-N356 HydrophobicContact CB-CB 4.26Å; L334-N356 VanDerWaalsContact CB-OD1 3.26Å; L334-N356 WeakPolarHBondContact CB-OD1 3.36Å; L334-N356 VanDerWaalsContact CG-OD1 3.29Å; L334-N356 WeakPolarHBondContact CG-OD1 3.38Å; L334-N356 PolarHBondContact N-OD1 3.02Å; L334-N357 CarbonylContact O-C 3.12Å; L334-N357 VanDerWaalsContact O-C 3.26Å; L334-N357 PolarHBondContact O-N 3.47Å; L334-N357 VanDerWaalsContact O-N 3.09Å; L334-W358 HydrophobicContact CB-CH2 3.67Å; L334-W358 HydrophobicContact CB-CZ2 4.29Å; L334-W358 HydrophobicContact CB-CZ3 3.81Å; L334-W358 HydrophobicContact CD1-CH2 3.82Å; L334-W358 HydrophobicContact CD1-CZ2 4.35Å; L334-W358 HydrophobicContact CG-CH2 4.41Å
335	T	94.7	Very high	93.7	Very high	38 Å²	38	42.9 Å²	42.9	23%	0.233	22%	0.219	C	C	.	.			trans	-102.2	-33.5	178	62.5	0	0	0	0	113.1	F333 N357 T359	F333-T335 PolarHBondContact O-N 3.1Å; T335-N357 WeakPolarHBondContact CA-O 3.44Å; T335-T359 PolarHBondContact O-N 2.91Å
336	S	93.6	Very high	93.4	Very high	37 Å²	37	42.6 Å²	42.6	26%	0.259	23%	0.231	S	C	.	.			trans	-149.1	146.4	175.5	59.7	0	0	0	0	110.8	R363	S336-R363 PolarHBondContact OG-NH1 3.03Å
337	L	94.6	Very high	93.3	Very high	10 Å²	10	44.2 Å²	44.2	5%	0.052	24%	0.242	C	C	.	.			trans	-144.4	132.3	174.8	-176.1	66.6	0	0	0	107.2	V313 L329 I341 F342 L353 W358 L367	V313-L337 HydrophobicContact CB-CD1 4.21Å; L329-L337 HydrophobicContact CD1-CD2 4.46Å; L337-I341 HydrophobicContact CD1-CD1 4.11Å; L337-I341 HydrophobicContact CD1-CG2 4.25Å; L337-I341 HydrophobicContact CG-CG2 4.43Å; L337-F342 HydrophobicContact CD2-CE2 4.25Å; L337-F342 HydrophobicContact CD2-CZ 3.97Å; L337-L353 HydrophobicContact CD2-CD2 4.28Å; L337-W358 HydrophobicContact CB-CH2 3.93Å; L337-W358 HydrophobicContact CB-CZ3 3.79Å; L337-W358 HydrophobicContact CD2-CH2 4.32Å; L337-L367 WeakPolarHBondContact O-CB 3.45Å
338	S	92.4	Very high	93	Very high	41 Å²	41	44.6 Å²	44.6	29%	0.287	25%	0.245	S	C	.	.			trans	-83.2	147.4	175.2	174.2	0	0	0	0	110.8	E340 I341	S338-E340 PolarHBondContact O-N 3.3Å; S338-E340 PolarHBondContact OG-N 3.22Å; S338-I341 WeakPolarHBondContact O-CG2 3.47Å
339	G	88.8	Confident	92.6	Very high	3 Å²	3	46.4 Å²	46.4	3%	0.031	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-66.3	-21.4	172	0	0	0	0	0	113.9	I341 F342	G339-I341 PolarHBondContact O-N 2.84Å; G339-F342 PolarHBondContact O-N 3.23Å
340	E	89.8	Confident	92.2	Very high	150 Å²	150	48.8 Å²	48.8	70%	0.701	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-64.2	-25.6	-178.5	-65.1	-165.6	134.5	0	0	113.6	S338 F342 A343	S338-E340 PolarHBondContact O-N 3.3Å; S338-E340 PolarHBondContact OG-N 3.22Å; E340-F342 PolarHBondContact O-N 2.94Å; E340-A343 WeakPolarHBondContact O-CB 3.48Å; E340-A343 PolarHBondContact O-N 3.17Å
341	I	92.9	Very high	92.1	Very high	6 Å²	6	46.6 Å²	46.6	3%	0.031	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-57.5	-23.7	177.2	-163.2	175.1	0	0	0	112.5	V313 D314 F318 L337 S338 G339 N345	V313-I341 HydrophobicContact CB-CD1 4.44Å; V313-I341 HydrophobicContact CG1-CD1 3.47Å; V313-I341 VanDerWaalsContact CG1-CD1 3.47Å; D314-I341 WeakPolarHBondContact O-CD1 3.08Å; F318-I341 HydrophobicContact CD2-CD1 3.59Å; F318-I341 HydrophobicContact CD2-CG1 3.78Å; F318-I341 HydrophobicContact CE2-CD1 3.7Å; F318-I341 HydrophobicContact CE2-CG1 4.38Å; F318-I341 HydrophobicContact CG-CD1 4.49Å; L337-I341 HydrophobicContact CD1-CD1 4.11Å; L337-I341 HydrophobicContact CD1-CG2 4.25Å; L337-I341 HydrophobicContact CG-CG2 4.43Å; S338-I341 WeakPolarHBondContact O-CG2 3.47Å; G339-I341 PolarHBondContact O-N 2.84Å; I341-N345 PolarHBondContact O-OD1 2.92Å
342	F	91.8	Very high	91.9	Very high	5 Å²	5	45.4 Å²	45.4	2%	0.022	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-95.6	1.6	179.6	-53.3	-56.3	0	0	0	114.3	F318 L327 L337 G339 E340 F344 N345 L348 I351 L367 W370	F318-F342 HydrophobicContact CD2-CD1 4.48Å; F318-F342 AromaticContact CD2-CE1 3.95Å; F318-F342 HydrophobicContact CD2-CE1 3.95Å; F318-F342 HydrophobicContact CE2-CE1 4.24Å; L327-F342 HydrophobicContact CD2-CE1 3.69Å; L327-F342 HydrophobicContact CD2-CZ 4.33Å; L337-F342 HydrophobicContact CD2-CE2 4.25Å; L337-F342 HydrophobicContact CD2-CZ 3.97Å; G339-F342 PolarHBondContact O-N 3.23Å; E340-F342 PolarHBondContact O-N 2.94Å; F342-F344 PolarHBondContact O-N 2.91Å; F342-F344 VanDerWaalsContact O-N 3.08Å; F342-N345 WeakPolarHBondContact CA-OD1 3.06Å; F342-N345 PolarHBondContact O-N 3.07Å; F342-L348 HydrophobicContact CD1-CD2 3.94Å; F342-L348 HydrophobicContact CE1-CD2 4.45Å; F342-L348 HydrophobicContact CG-CD2 4.26Å; F342-I351 HydrophobicContact CE1-CD1 3.64Å; F342-I351 HydrophobicContact CE2-CD1 3.71Å; F342-I351 HydrophobicContact CZ-CD1 3.15Å; F342-L367 HydrophobicContact CE2-CD1 4.1Å; F342-W370 HydrophobicContact CB-CH2 4.5Å; F342-W370 HydrophobicContact CB-CZ2 3.62Å; F342-W370 AromaticContact CD2-CD2 3.98Å; F342-W370 HydrophobicContact CD2-CD2 3.98Å; F342-W370 AromaticContact CD2-CE2 3.76Å; F342-W370 HydrophobicContact CD2-CE3 4.08Å; F342-W370 AromaticContact CD2-CH2 3.84Å; F342-W370 HydrophobicContact CD2-CH2 3.84Å; F342-W370 AromaticContact CD2-CZ2 3.71Å; F342-W370 HydrophobicContact CD2-CZ2 3.71Å; F342-W370 HydrophobicContact CD2-CZ3 4.02Å; F342-W370 HydrophobicContact CE2-CH2 4.38Å; F342-W370 HydrophobicContact CE2-CZ3 4.33Å; F342-W370 HydrophobicContact CG-CH2 4.19Å; F342-W370 AromaticContact CG-CZ2 3.78Å; F342-W370 HydrophobicContact CG-CZ2 3.78Å
343	A	89.8	Confident	91.7	Very high	69 Å²	69	45.3 Å²	45.3	57%	0.57	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-28.8	-174.6	0	0	0	0	0	113.7	E340	E340-A343 WeakPolarHBondContact O-CB 3.48Å; E340-A343 PolarHBondContact O-N 3.17Å
344	F	89	Confident	91.4	Very high	132 Å²	132	43.6 Å²	43.6	58%	0.579	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-7.4	179.2	-58.5	-73.8	0	0	0	114.1	S319 F342 A346	S319-F344 WeakPolarHBondContact O-CB 3.43Å; F342-F344 PolarHBondContact O-N 2.91Å; F342-F344 VanDerWaalsContact O-N 3.08Å; F344-A346 PolarHBondContact O-N 2.87Å
345	N	91.1	Very high	91.2	Very high	5 Å²	5	46 Å²	46	3%	0.027	27%	0.271	C	S	.	.			trans	-97.9	52.5	-175.1	-49.9	100.5	0	0	0	111.1	F318 L321 I341 F342 V347 L348	F318-N345 PolarHBondContact O-ND2 3.35Å; L321-N345 PolarHBondContact O-ND2 2.58Å; I341-N345 PolarHBondContact O-OD1 2.92Å; F342-N345 WeakPolarHBondContact CA-OD1 3.06Å; F342-N345 PolarHBondContact O-N 3.07Å; N345-V347 PolarHBondContact O-N 2.92Å; N345-L348 HydrophobicContact CB-CB 4.42Å; N345-L348 VanDerWaalsContact O-CB 3.28Å; N345-L348 WeakPolarHBondContact O-CB 3.37Å; N345-L348 PolarHBondContact O-N 2.87Å
346	A	87.1	Confident	91.3	Very high	74 Å²	74	44.7 Å²	44.7	61%	0.612	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-10.3	-170	0	0	0	0	0	116	F344	F344-A346 PolarHBondContact O-N 2.87Å
347	V	90.8	Very high	91.4	Very high	64 Å²	64	46 Å²	46	39%	0.388	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105	10.1	177.6	-54.8	0	0	0	0	113.9	K322 L324 N345 Q349	K322-V347 WeakPolarHBondContact O-CG2 3.19Å; L324-V347 CarbonylContact O-C 3.49Å; N345-V347 PolarHBondContact O-N 2.92Å; V347-Q349 PolarHBondContact O-N 3.04Å
348	L	90.3	Very high	91.4	Very high	9 Å²	9	45.6 Å²	45.6	5%	0.047	26%	0.264	C	S	.	.			trans	-65.5	122.2	177.5	-171.4	69.3	0	0	0	110.7	L324 L327 F342 N345 I351 W370	L324-L348 HydrophobicContact CD2-CD1 4.42Å; L324-L348 HydrophobicContact CG-CD1 4.05Å; L324-L348 VanDerWaalsContact O-CA 3.3Å; L324-L348 WeakPolarHBondContact O-CA 3.45Å; L324-L348 PolarHBondContact O-N 3.4Å; L327-L348 HydrophobicContact CB-CD1 4.23Å; F342-L348 HydrophobicContact CD1-CD2 3.94Å; F342-L348 HydrophobicContact CE1-CD2 4.45Å; F342-L348 HydrophobicContact CG-CD2 4.26Å; N345-L348 HydrophobicContact CB-CB 4.42Å; N345-L348 VanDerWaalsContact O-CB 3.28Å; N345-L348 WeakPolarHBondContact O-CB 3.37Å; N345-L348 PolarHBondContact O-N 2.87Å; L348-I351 HydrophobicContact CD2-CB 4.33Å; L348-W370 HydrophobicContact CD2-CH2 3.9Å; L348-W370 HydrophobicContact CD2-CZ2 3.97Å
349	Q	88	Confident	91.5	Very high	112 Å²	112	44.4 Å²	44.4	52%	0.523	26%	0.256	S	S	.	.			trans	-111.8	-25.2	-174.1	-71.8	173.3	-12.3	0	0	113.2	K325 V347 K379	K325-Q349 PolarHBondContact O-N 2.87Å; V347-Q349 PolarHBondContact O-N 3.04Å; Q349-K379 WeakPolarHBondContact CA-O 3.29Å
350	N	88.5	Confident	91.7	Very high	50 Å²	50	44.3 Å²	44.3	27%	0.267	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	127.9	-178.7	-172.4	-23.2	0	0	0	109.5	K325 L326 L327	K325-N350 PolarHBondContact O-N 2.97Å; L326-N350 WeakPolarHBondContact CA-O 3.23Å; L326-N350 HydrophobicContact CD1-CB 4.17Å; L326-N350 HydrophobicContact CG-CB 4.07Å; L327-N350 PolarHBondContact N-O 3.02Å; L327-N350 VanDerWaalsContact N-O 3.09Å
351	I	91.8	Very high	91.8	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	127	170.8	-172.6	176.8	0	0	0	109.8	L327 F342 L348 L353 W370 L380 V383	L327-I351 HydrophobicContact CB-CG1 4.32Å; L327-I351 HydrophobicContact CD2-CD1 4.03Å; L327-I351 HydrophobicContact CD2-CG1 4.32Å; L327-I351 HydrophobicContact CG-CG1 4.41Å; L327-I351 VanDerWaalsContact O-CA 3.31Å; L327-I351 WeakPolarHBondContact O-CA 3.23Å; F342-I351 HydrophobicContact CE1-CD1 3.64Å; F342-I351 HydrophobicContact CE2-CD1 3.71Å; F342-I351 HydrophobicContact CZ-CD1 3.15Å; L348-I351 HydrophobicContact CD2-CB 4.33Å; I351-L353 HydrophobicContact CD1-CD1 4.27Å; I351-L353 HydrophobicContact CD1-CD2 3.91Å; I351-L353 HydrophobicContact CD1-CG 4.16Å; I351-L353 HydrophobicContact CG1-CD2 3.99Å; I351-L353 HydrophobicContact CG1-CG 4.06Å; I351-W370 HydrophobicContact CG2-CH2 4.05Å; I351-W370 HydrophobicContact CG2-CZ3 4.15Å; I351-L380 HydrophobicContact CG2-CD2 4.18Å; I351-V383 HydrophobicContact CG2-CB 4.41Å; I351-V383 HydrophobicContact CG2-CG1 4.01Å; I351-V383 HydrophobicContact CG2-CG2 3.45Å; I351-V383 VanDerWaalsContact CG2-CG2 3.45Å
352	D	92.1	Very high	91.7	Very high	31 Å²	31	38.4 Å²	38.4	17%	0.166	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	114.8	-178.3	-167.5	5.5	0	0	0	111.3	L327 R328 L329 K330 H354	L327-D352 PolarHBondContact O-N 3.29Å; R328-D352 HydrophobicContact CB-CB 4.21Å; R328-D352 HydrophobicContact CG-CB 4.07Å; L329-D352 CarbonylContact C-O 3.49Å; L329-D352 PolarHBondContact N-O 3.48Å; K330-D352 WeakPolarHBondContact CD-OD2 3.39Å; K330-D352 PolarHBondContact N-O 2.77Å; D352-H354 IonicContact OD1-CE1 3.21Å; D352-H354 IonicContact OD1-CG 2.91Å; D352-H354 PolarHBondContact OD1-N 2.85Å; D352-H354 IonicContact OD1-ND1 2.77Å; D352-H354 PolarHBondContact OD1-ND1 3.36Å; D352-H354 IonicContact OD2-CE1 3.42Å; D352-H354 PolarHBondContact OD2-CE1 2.94Å; D352-H354 VanDerWaalsContact OD2-CE1 3.32Å; D352-H354 IonicContact OD2-ND1 2.83Å; D352-H354 PolarHBondContact OD2-ND1 3.2Å
353	L	93.9	Very high	91.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.244	C	C	.	.			trans	-121.2	4.9	-171.7	-65	-174.7	0	0	0	113.5	L329 L337 I351 N356 W358 L367 V383 V385	L329-L353 HydrophobicContact CB-CD2 4.1Å; L329-L353 HydrophobicContact CD1-CD2 4.09Å; L337-L353 HydrophobicContact CD2-CD2 4.28Å; I351-L353 HydrophobicContact CD1-CD1 4.27Å; I351-L353 HydrophobicContact CD1-CD2 3.91Å; I351-L353 HydrophobicContact CD1-CG 4.16Å; I351-L353 HydrophobicContact CG1-CD2 3.99Å; I351-L353 HydrophobicContact CG1-CG 4.06Å; L353-N356 PolarHBondContact O-ND2 3.37Å; L353-W358 HydrophobicContact CB-CZ2 3.91Å; L353-W358 HydrophobicContact CD1-CZ2 4.36Å; L353-W358 HydrophobicContact CD2-CZ2 4.18Å; L353-W358 HydrophobicContact CG-CZ2 4.37Å; L353-W358 PolarHBondContact O-NE1 3.41Å; L353-L367 HydrophobicContact CD1-CD2 4.18Å; L353-V383 HydrophobicContact CD1-CG1 4.11Å; L353-V383 HydrophobicContact CG-CG1 4.4Å; L353-V385 HydrophobicContact CB-CG2 4.05Å; L353-V385 HydrophobicContact CD1-CG2 3.69Å
354	H	92.4	Very high	91.8	Very high	76 Å²	76	39.1 Å²	39.1	35%	0.352	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	161.2	-173.1	74.7	-103.8	0	0	0	113.4	K330 N331 D352 N356	K330-H354 CarbonylContact C-O 3.16Å; K330-H354 WeakPolarHBondContact CA-O 3.12Å; K330-H354 WeakPolarHBondContact CD-CE1 3.33Å; N331-H354 PolarHBondContact N-O 3.12Å; N331-H354 PolarHBondContact ND2-NE2 3.17Å; D352-H354 IonicContact OD1-CE1 3.21Å; D352-H354 IonicContact OD1-CG 2.91Å; D352-H354 PolarHBondContact OD1-N 2.85Å; D352-H354 IonicContact OD1-ND1 2.77Å; D352-H354 PolarHBondContact OD1-ND1 3.36Å; D352-H354 IonicContact OD2-CE1 3.42Å; D352-H354 PolarHBondContact OD2-CE1 2.94Å; D352-H354 VanDerWaalsContact OD2-CE1 3.32Å; D352-H354 IonicContact OD2-ND1 2.83Å; D352-H354 PolarHBondContact OD2-ND1 3.2Å; H354-N356 VanDerWaalsContact C-N 3.25Å; H354-N356 PolarHBondContact O-N 2.94Å; H354-N356 PolarHBondContact O-ND2 3.09Å
355	G	92.9	Very high	91.9	Very high	51 Å²	51	35.3 Å²	35.3	53%	0.526	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	24.4	174.4	0	0	0	0	0	115.1	N331	N331-G355 WeakPolarHBondContact CA-O 3.21Å
356	N	96.5	Very high	91.9	Very high	12 Å²	12	37.1 Å²	37.1	6%	0.064	21%	0.21	C	C	.	.	S	Bend	trans	-102.2	162.1	172.5	-83	-83.6	0	0	0	111.2	L329 N332 L334 L353 H354 W358	L329-N356 PolarHBondContact O-ND2 2.95Å; N332-N356 WeakPolarHBondContact CA-OD1 3.26Å; N332-N356 WeakPolarHBondContact CB-OD1 3.44Å; N332-N356 WeakPolarHBondContact O-CA 3.28Å; N332-N356 PolarHBondContact O-OD1 3.47Å; L334-N356 HydrophobicContact CB-CB 4.26Å; L334-N356 VanDerWaalsContact CB-OD1 3.26Å; L334-N356 WeakPolarHBondContact CB-OD1 3.36Å; L334-N356 VanDerWaalsContact CG-OD1 3.29Å; L334-N356 WeakPolarHBondContact CG-OD1 3.38Å; L334-N356 PolarHBondContact N-OD1 3.02Å; L353-N356 PolarHBondContact O-ND2 3.37Å; H354-N356 VanDerWaalsContact C-N 3.25Å; H354-N356 PolarHBondContact O-N 2.94Å; H354-N356 PolarHBondContact O-ND2 3.09Å; N356-W358 VanDerWaalsContact C-N 3.25Å; N356-W358 HydrophobicContact CB-CD2 4.08Å; N356-W358 VanDerWaalsContact CB-CE2 3.47Å; N356-W358 HydrophobicContact CB-CG 4.32Å; N356-W358 HydrophobicContact CB-CZ2 3.73Å; N356-W358 PolarHBondContact O-N 3.46Å; N356-W358 VanDerWaalsContact O-N 3.08Å
357	N	95.3	Very high	92.1	Very high	64 Å²	64	33.6 Å²	33.6	34%	0.342	18%	0.181	S	C	.	.			trans	-88	52	-174.8	-167.2	25	0	0	0	112.5	L334 T335 T359 H388	L334-N357 CarbonylContact O-C 3.12Å; L334-N357 VanDerWaalsContact O-C 3.26Å; L334-N357 PolarHBondContact O-N 3.47Å; L334-N357 VanDerWaalsContact O-N 3.09Å; T335-N357 WeakPolarHBondContact CA-O 3.44Å; N357-T359 PolarHBondContact O-N 2.94Å; N357-H388 WeakPolarHBondContact OD1-CB 3.48Å; N357-H388 PolarHBondContact OD1-CD2 2.81Å
358	W	95.3	Very high	92.2	Very high	1 Å²	1	31.7 Å²	31.7	0%	0.004	17%	0.168	C	C	.	.			trans	-62.1	122.8	-168.7	-63.8	116.6	0	0	0	113.3	L334 L337 L353 N356 L364 V385 H388 Y389	L334-W358 HydrophobicContact CB-CH2 3.67Å; L334-W358 HydrophobicContact CB-CZ2 4.29Å; L334-W358 HydrophobicContact CB-CZ3 3.81Å; L334-W358 HydrophobicContact CD1-CH2 3.82Å; L334-W358 HydrophobicContact CD1-CZ2 4.35Å; L334-W358 HydrophobicContact CG-CH2 4.41Å; L337-W358 HydrophobicContact CB-CH2 3.93Å; L337-W358 HydrophobicContact CB-CZ3 3.79Å; L337-W358 HydrophobicContact CD2-CH2 4.32Å; L353-W358 HydrophobicContact CB-CZ2 3.91Å; L353-W358 HydrophobicContact CD1-CZ2 4.36Å; L353-W358 HydrophobicContact CD2-CZ2 4.18Å; L353-W358 HydrophobicContact CG-CZ2 4.37Å; L353-W358 PolarHBondContact O-NE1 3.41Å; N356-W358 VanDerWaalsContact C-N 3.25Å; N356-W358 HydrophobicContact CB-CD2 4.08Å; N356-W358 VanDerWaalsContact CB-CE2 3.47Å; N356-W358 HydrophobicContact CB-CG 4.32Å; N356-W358 HydrophobicContact CB-CZ2 3.73Å; N356-W358 PolarHBondContact O-N 3.46Å; N356-W358 VanDerWaalsContact O-N 3.08Å; W358-L364 HydrophobicContact CB-CD1 4.08Å; W358-L364 HydrophobicContact CE3-CD1 4.2Å; W358-L364 HydrophobicContact CE3-CD2 4.1Å; W358-L364 HydrophobicContact CZ3-CD2 4.34Å; W358-V385 HydrophobicContact CB-CG1 4.3Å; W358-V385 HydrophobicContact CD2-CG1 4.1Å; W358-V385 HydrophobicContact CG-CG1 3.76Å; W358-H388 PolarHBondContact O-N 2.87Å; W358-Y389 PolarHBondContact O-N 3.08Å
359	T	94.3	Very high	92.2	Very high	17 Å²	17	37 Å²	37	10%	0.104	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-93.2	106.8	169.6	-63.4	0	0	0	0	109.4	T335 N357 D361 L364 Y389 L409	T335-T359 PolarHBondContact O-N 2.91Å; N357-T359 PolarHBondContact O-N 2.94Å; T359-D361 HydrophobicContact CG2-CB 4.18Å; T359-D361 VanDerWaalsContact CG2-OD2 3.24Å; T359-D361 WeakPolarHBondContact CG2-OD2 3.48Å; T359-D361 PolarHBondContact O-N 3.02Å; T359-L364 VanDerWaalsContact O-CD1 3.25Å; T359-L364 WeakPolarHBondContact O-CD1 3.21Å; T359-L364 WeakPolarHBondContact O-CG 3.34Å; T359-Y389 CarbonylContact C-O 3.39Å; T359-Y389 WeakPolarHBondContact CA-O 3.46Å; T359-Y389 HydrophobicContact CG2-CD1 3.95Å; T359-L409 HydrophobicContact CG2-CD1 3.99Å
360	C	93.3	Very high	92.3	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.007	17%	0.172	C	C	.	.			trans	-80	66.5	177.2	-68.6	0	0	0	0	111.3	C387 Y389 L393 L406	C360-C387 HydrophobicContact CB-CB 3.84Å; C360-C387 WeakPolarHBondContact CB-SG 3.38Å; C360-C387 VanDerWaalsContact SG-CA 3.53Å; C360-C387 WeakPolarHBondContact SG-CB 3.26Å; C360-C387 CovalentContact SG-SG 2.03Å; C360-C387 PolarHBondContact SG-SG 3.37Å; C360-Y389 PolarHBondContact N-O 2.79Å; C360-L393 HydrophobicContact CB-CD1 3.99Å; C360-L406 HydrophobicContact CB-CD2 3.8Å; C360-L406 WeakPolarHBondContact O-CD2 3.46Å
361	D	91.6	Very high	92.4	Very high	11 Å²	11	31.8 Å²	31.8	6%	0.059	16%	0.159	C	C	.	.	S	Bend	trans	-105.4	-171.7	163.2	67.2	41.1	0	0	0	111	T359 R363 L364 H407 L409	T359-D361 HydrophobicContact CG2-CB 4.18Å; T359-D361 VanDerWaalsContact CG2-OD2 3.24Å; T359-D361 WeakPolarHBondContact CG2-OD2 3.48Å; T359-D361 PolarHBondContact O-N 3.02Å; D361-R363 PolarHBondContact O-N 3.08Å; D361-R363 WeakPolarHBondContact OD1-CB 3.03Å; D361-R363 VanDerWaalsContact OD1-CG 3.26Å; D361-R363 WeakPolarHBondContact OD1-CG 3.31Å; D361-R363 IonicContact OD1-CZ 2.8Å; D361-R363 PolarHBondContact OD1-N 3.12Å; D361-R363 IonicContact OD1-NE 3.72Å; D361-R363 PolarHBondContact OD1-NE 2.96Å; D361-R363 IonicContact OD1-NH2 3.79Å; D361-R363 IonicContact OD2-CZ 3.57Å; D361-R363 VanDerWaalsContact OD2-CZ 3.3Å; D361-R363 IonicContact OD2-NE 3.15Å; D361-R363 PolarHBondContact OD2-NE 3.02Å; D361-R363 IonicContact OD2-NH2 3.34Å; D361-R363 PolarHBondContact OD2-NH2 3.11Å; D361-L364 PolarHBondContact O-N 3.13Å; D361-L364 VanDerWaalsContact O-N 3.12Å; D361-H407 WeakPolarHBondContact CB-O 3.21Å; D361-L409 HydrophobicContact CB-CD1 4.22Å
362	C	90.1	Very high	92.2	Very high	20 Å²	20	35.2 Å²	35.2	14%	0.135	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-50	-30.1	179.9	71.8	0	0	0	0	114.5	L364 E365 L406 C416	C362-L364 PolarHBondContact O-N 3.35Å; C362-E365 VanDerWaalsContact O-CB 3.3Å; C362-E365 WeakPolarHBondContact O-CB 3.31Å; C362-E365 PolarHBondContact O-N 2.98Å; C362-L406 WeakPolarHBondContact CA-O 3.07Å; C362-L406 PolarHBondContact N-O 3.5Å; C362-L406 VanDerWaalsContact N-O 3.15Å; C362-C416 HydrophobicContact CB-CB 3.63Å; C362-C416 WeakPolarHBondContact CB-SG 3.49Å; C362-C416 VanDerWaalsContact SG-CA 3.56Å; C362-C416 WeakPolarHBondContact SG-CB 3.22Å; C362-C416 CovalentContact SG-SG 2.03Å; C362-C416 PolarHBondContact SG-SG 2.69Å
363	R	90.9	Very high	92	Very high	89 Å²	89	35.8 Å²	35.8	34%	0.336	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-68.6	-19.3	-176.7	-60.9	173.5	-68.8	155.9	-11.2	113.3	S336 D361	S336-R363 PolarHBondContact OG-NH1 3.03Å; D361-R363 PolarHBondContact O-N 3.08Å; D361-R363 WeakPolarHBondContact OD1-CB 3.03Å; D361-R363 VanDerWaalsContact OD1-CG 3.26Å; D361-R363 WeakPolarHBondContact OD1-CG 3.31Å; D361-R363 IonicContact OD1-CZ 2.8Å; D361-R363 PolarHBondContact OD1-N 3.12Å; D361-R363 IonicContact OD1-NE 3.72Å; D361-R363 PolarHBondContact OD1-NE 2.96Å; D361-R363 IonicContact OD1-NH2 3.79Å; D361-R363 IonicContact OD2-CZ 3.57Å; D361-R363 VanDerWaalsContact OD2-CZ 3.3Å; D361-R363 IonicContact OD2-NE 3.15Å; D361-R363 PolarHBondContact OD2-NE 3.02Å; D361-R363 IonicContact OD2-NH2 3.34Å; D361-R363 PolarHBondContact OD2-NH2 3.11Å
364	L	92.3	Very high	91.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-93.1	0.2	172.9	-69.8	-171.9	0	0	0	113.2	W358 T359 D361 C362 L367 K368 L398	W358-L364 HydrophobicContact CB-CD1 4.08Å; W358-L364 HydrophobicContact CE3-CD1 4.2Å; W358-L364 HydrophobicContact CE3-CD2 4.1Å; W358-L364 HydrophobicContact CZ3-CD2 4.34Å; T359-L364 VanDerWaalsContact O-CD1 3.25Å; T359-L364 WeakPolarHBondContact O-CD1 3.21Å; T359-L364 WeakPolarHBondContact O-CG 3.34Å; D361-L364 PolarHBondContact O-N 3.13Å; D361-L364 VanDerWaalsContact O-N 3.12Å; C362-L364 PolarHBondContact O-N 3.35Å; L364-L367 HydrophobicContact CD2-CB 4.38Å; L364-L367 HydrophobicContact CD2-CD2 3.92Å; L364-L367 PolarHBondContact O-N 3.08Å; L364-K368 WeakPolarHBondContact O-CB 3.06Å; L364-K368 PolarHBondContact O-N 3.24Å; L364-L398 HydrophobicContact CB-CD2 4.29Å
365	E	91.1	Very high	91	Very high	53 Å²	53	36.2 Å²	36.2	25%	0.248	19%	0.193	C	C	.	.	H	α-helix	trans	-64.8	-42.1	178.3	-154.8	-161.1	153.8	0	0	111.6	C362 L367 K368 R369 L406	C362-E365 VanDerWaalsContact O-CB 3.3Å; C362-E365 WeakPolarHBondContact O-CB 3.31Å; C362-E365 PolarHBondContact O-N 2.98Å; E365-L367 VanDerWaalsContact C-N 3.34Å; E365-L367 PolarHBondContact O-N 2.76Å; E365-K368 WeakPolarHBondContact O-CB 3.02Å; E365-K368 PolarHBondContact O-N 3.06Å; E365-R369 VanDerWaalsContact CD-CZ 3.44Å; E365-R369 VanDerWaalsContact CD-NE 3.34Å; E365-R369 WeakPolarHBondContact O-CB 3.1Å; E365-R369 VanDerWaalsContact O-CG 3.25Å; E365-R369 WeakPolarHBondContact O-CG 3.37Å; E365-R369 PolarHBondContact O-N 2.89Å; E365-R369 IonicContact OE1-CZ 3.02Å; E365-R369 IonicContact OE1-NE 3.97Å; E365-R369 PolarHBondContact OE1-NE 3.11Å; E365-R369 IonicContact OE1-NH2 3.93Å; E365-R369 PolarHBondContact OE1-NH2 3.44Å; E365-R369 IonicContact OE2-CZ 3.82Å; E365-R369 IonicContact OE2-NE 2.9Å; E365-R369 IonicContact OE2-NH2 3.85Å; E365-R369 PolarHBondContact OE2-NH2 3.19Å; E365-L406 HydrophobicContact CB-CD1 4.17Å; E365-L406 HydrophobicContact CG-CD1 4.14Å
366	D	90.9	Very high	90.5	Very high	42 Å²	42	38.2 Å²	38.2	23%	0.225	20%	0.199	C	C	.	.	H	α-helix	trans	-68.4	-32.1	178.2	-66.9	-44.5	0	0	0	113.1	R369 W370	D366-R369 WeakPolarHBondContact OD1-CD 3.49Å; D366-R369 IonicContact OD1-CZ 3.69Å; D366-R369 IonicContact OD1-NE 4Å; D366-R369 IonicContact OD1-NH1 2.75Å; D366-R369 PolarHBondContact OD1-NH1 3.28Å; D366-W370 VanDerWaalsContact O-CB 3.28Å; D366-W370 WeakPolarHBondContact O-CB 3.47Å; D366-W370 PolarHBondContact O-N 2.03Å
367	L	92.6	Very high	89.8	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-66.6	-43.3	170.1	-174.3	65.9	0	0	0	111.2	L337 F342 L353 L364 E365 W370 M371 V385	L337-L367 WeakPolarHBondContact O-CB 3.45Å; F342-L367 HydrophobicContact CE2-CD1 4.1Å; L353-L367 HydrophobicContact CD1-CD2 4.18Å; L364-L367 HydrophobicContact CD2-CB 4.38Å; L364-L367 HydrophobicContact CD2-CD2 3.92Å; L364-L367 PolarHBondContact O-N 3.08Å; E365-L367 VanDerWaalsContact C-N 3.34Å; E365-L367 PolarHBondContact O-N 2.76Å; L367-W370 HydrophobicContact CD1-CE3 4.19Å; L367-W370 PolarHBondContact O-N 2.99Å; L367-M371 HydrophobicContact CD2-SD 4.39Å; L367-M371 HydrophobicContact CG-CG 4.45Å; L367-M371 HydrophobicContact CG-SD 3.95Å; L367-M371 WeakPolarHBondContact O-CB 3.44Å; L367-M371 VanDerWaalsContact O-CG 3.26Å; L367-M371 WeakPolarHBondContact O-CG 3.43Å; L367-M371 PolarHBondContact O-N 3.19Å; L367-V385 HydrophobicContact CD2-CG2 4.3Å
368	K	91.6	Very high	88.7	Confident	25 Å²	25	51.1 Å²	51.1	11%	0.109	25%	0.246	C	C	.	.	H	α-helix	trans	-60.7	-49.6	175.6	-175	-172.7	167.2	-166.4	0	111.3	L364 E365 W370 M371 T372 L398 V401 S403 L406	L364-K368 WeakPolarHBondContact O-CB 3.06Å; L364-K368 PolarHBondContact O-N 3.24Å; E365-K368 WeakPolarHBondContact O-CB 3.02Å; E365-K368 PolarHBondContact O-N 3.06Å; K368-W370 VanDerWaalsContact C-N 3.29Å; K368-W370 PolarHBondContact O-N 2.89Å; K368-M371 PolarHBondContact O-N 2.93Å; K368-T372 PolarHBondContact O-N 3.25Å; K368-T372 PolarHBondContact O-OG1 2.84Å; K368-T372 VanDerWaalsContact O-OG1 3.09Å; K368-L398 HydrophobicContact CB-CD1 4.27Å; K368-L398 HydrophobicContact CB-CD2 4Å; K368-L398 HydrophobicContact CB-CG 3.98Å; K368-L398 HydrophobicContact CD-CD1 4.34Å; K368-L398 HydrophobicContact CD-CG 4.47Å; K368-L398 HydrophobicContact CG-CD1 4.49Å; K368-L398 HydrophobicContact CG-CG 4.14Å; K368-V401 WeakPolarHBondContact CE-O 3.48Å; K368-V401 PolarHBondContact NZ-O 3.09Å; K368-S403 PolarHBondContact NZ-OG 3.07Å; K368-L406 HydrophobicContact CD-CD1 4.26Å
369	R	90.8	Very high	87.6	Confident	121 Å²	121	55.7 Å²	55.7	46%	0.457	27%	0.266	S	S	.	.	H	α-helix	trans	-53.8	-46.9	175.5	-70.1	165.9	-175.8	176.8	-5.4	110.6	E365 D366 A373	E365-R369 VanDerWaalsContact CD-CZ 3.44Å; E365-R369 VanDerWaalsContact CD-NE 3.34Å; E365-R369 WeakPolarHBondContact O-CB 3.1Å; E365-R369 VanDerWaalsContact O-CG 3.25Å; E365-R369 WeakPolarHBondContact O-CG 3.37Å; E365-R369 PolarHBondContact O-N 2.89Å; E365-R369 IonicContact OE1-CZ 3.02Å; E365-R369 IonicContact OE1-NE 3.97Å; E365-R369 PolarHBondContact OE1-NE 3.11Å; E365-R369 IonicContact OE1-NH2 3.93Å; E365-R369 PolarHBondContact OE1-NH2 3.44Å; E365-R369 IonicContact OE2-CZ 3.82Å; E365-R369 IonicContact OE2-NE 2.9Å; E365-R369 IonicContact OE2-NH2 3.85Å; E365-R369 PolarHBondContact OE2-NH2 3.19Å; D366-R369 WeakPolarHBondContact OD1-CD 3.49Å; D366-R369 IonicContact OD1-CZ 3.69Å; D366-R369 IonicContact OD1-NE 4Å; D366-R369 IonicContact OD1-NH1 2.75Å; D366-R369 PolarHBondContact OD1-NH1 3.28Å; R369-A373 WeakPolarHBondContact O-CB 3.23Å; R369-A373 PolarHBondContact O-N 2.9Å
370	W	90.8	Very high	86.4	Confident	51 Å²	51	55.7 Å²	55.7	19%	0.193	27%	0.266	C	S	.	.	H	α-helix	trans	-63.9	-45	176.7	178.9	89.9	0	0	0	113	F342 L348 I351 D366 L367 K368 A373 A374 L380	F342-W370 HydrophobicContact CB-CH2 4.5Å; F342-W370 HydrophobicContact CB-CZ2 3.62Å; F342-W370 AromaticContact CD2-CD2 3.98Å; F342-W370 HydrophobicContact CD2-CD2 3.98Å; F342-W370 AromaticContact CD2-CE2 3.76Å; F342-W370 HydrophobicContact CD2-CE3 4.08Å; F342-W370 AromaticContact CD2-CH2 3.84Å; F342-W370 HydrophobicContact CD2-CH2 3.84Å; F342-W370 AromaticContact CD2-CZ2 3.71Å; F342-W370 HydrophobicContact CD2-CZ2 3.71Å; F342-W370 HydrophobicContact CD2-CZ3 4.02Å; F342-W370 HydrophobicContact CE2-CH2 4.38Å; F342-W370 HydrophobicContact CE2-CZ3 4.33Å; F342-W370 HydrophobicContact CG-CH2 4.19Å; F342-W370 AromaticContact CG-CZ2 3.78Å; F342-W370 HydrophobicContact CG-CZ2 3.78Å; L348-W370 HydrophobicContact CD2-CH2 3.9Å; L348-W370 HydrophobicContact CD2-CZ2 3.97Å; I351-W370 HydrophobicContact CG2-CH2 4.05Å; I351-W370 HydrophobicContact CG2-CZ3 4.15Å; D366-W370 VanDerWaalsContact O-CB 3.28Å; D366-W370 WeakPolarHBondContact O-CB 3.47Å; D366-W370 PolarHBondContact O-N 2.03Å; L367-W370 HydrophobicContact CD1-CE3 4.19Å; L367-W370 PolarHBondContact O-N 2.99Å; K368-W370 VanDerWaalsContact C-N 3.29Å; K368-W370 PolarHBondContact O-N 2.89Å; W370-A373 PolarHBondContact O-N 2.94Å; W370-A374 WeakPolarHBondContact O-CB 3.18Å; W370-A374 PolarHBondContact O-N 3.03Å; W370-L380 HydrophobicContact CH2-CD1 3.66Å; W370-L380 HydrophobicContact CH2-CD2 4.5Å; W370-L380 HydrophobicContact CZ2-CD1 4.44Å; W370-L380 HydrophobicContact CZ3-CD1 3.8Å
371	M	89.1	Confident	84.7	Confident	1 Å²	1	62.6 Å²	62.6	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-59.3	-49.6	177	-75	168.5	65.5	0	0	111.2	L367 K368 A373 A374 Q375 V383 V385 L398 D399	L367-M371 HydrophobicContact CD2-SD 4.39Å; L367-M371 HydrophobicContact CG-CG 4.45Å; L367-M371 HydrophobicContact CG-SD 3.95Å; L367-M371 WeakPolarHBondContact O-CB 3.44Å; L367-M371 VanDerWaalsContact O-CG 3.26Å; L367-M371 WeakPolarHBondContact O-CG 3.43Å; L367-M371 PolarHBondContact O-N 3.19Å; K368-M371 PolarHBondContact O-N 2.93Å; M371-A373 VanDerWaalsContact C-N 3.34Å; M371-A373 PolarHBondContact O-N 2.96Å; M371-A374 PolarHBondContact O-N 2.98Å; M371-Q375 WeakPolarHBondContact O-CB 3.34Å; M371-Q375 VanDerWaalsContact O-CG 3.29Å; M371-Q375 WeakPolarHBondContact O-CG 3.4Å; M371-Q375 PolarHBondContact O-N 3.02Å; M371-V383 HydrophobicContact CE-CB 4Å; M371-V383 HydrophobicContact CE-CG1 3.85Å; M371-V383 HydrophobicContact SD-CG1 4.34Å; M371-V385 HydrophobicContact CE-CB 4.32Å; M371-V385 HydrophobicContact CE-CG2 3.94Å; M371-V385 HydrophobicContact SD-CG2 3.85Å; M371-L398 HydrophobicContact SD-CD2 4.19Å; M371-D399 WeakPolarHBondContact CE-OD1 3.36Å
372	T	87.9	Confident	83.4	Confident	74 Å²	74	65.7 Å²	65.7	45%	0.454	32%	0.321	S	S	.	.	H	α-helix	trans	-61.4	-40.8	177.4	-52.2	0	0	0	0	112	K368 S376	K368-T372 PolarHBondContact O-N 3.25Å; K368-T372 PolarHBondContact O-OG1 2.84Å; K368-T372 VanDerWaalsContact O-OG1 3.09Å; T372-S376 PolarHBondContact O-N 3.06Å; T372-S376 PolarHBondContact O-OG 3.11Å
373	A	87.9	Confident	82.7	Confident	43 Å²	43	65 Å²	65	36%	0.355	32%	0.317	S	S	.	.	H	α-helix	trans	-65.7	-41.5	175.9	0	0	0	0	0	112.5	R369 W370 M371 S376 Q377	R369-A373 WeakPolarHBondContact O-CB 3.23Å; R369-A373 PolarHBondContact O-N 2.9Å; W370-A373 PolarHBondContact O-N 2.94Å; M371-A373 VanDerWaalsContact C-N 3.34Å; M371-A373 PolarHBondContact O-N 2.96Å; A373-S376 PolarHBondContact O-OG 3.04Å; A373-Q377 VanDerWaalsContact O-CG 3.32Å; A373-Q377 WeakPolarHBondContact O-CG 3.38Å; A373-Q377 PolarHBondContact O-N 2.8Å
374	A	84.6	Confident	82.4	Confident	8 Å²	8	65.8 Å²	65.8	7%	0.066	32%	0.323	C	S	.	.	H	α-helix	trans	-73.7	-33.1	-179.9	0	0	0	0	0	113.1	W370 M371 R378 K379 L380	W370-A374 WeakPolarHBondContact O-CB 3.18Å; W370-A374 PolarHBondContact O-N 3.03Å; M371-A374 PolarHBondContact O-N 2.98Å; A374-R378 PolarHBondContact O-N 3.1Å; A374-K379 PolarHBondContact O-N 2.98Å; A374-L380 HydrophobicContact CB-CD1 3.43Å; A374-L380 VanDerWaalsContact CB-CD1 3.43Å; A374-L380 HydrophobicContact CB-CG 4.01Å
375	Q	82.2	Confident	82.3	Confident	77 Å²	77	65.9 Å²	65.9	36%	0.36	32%	0.323	S	S	.	.	H	α-helix	trans	-64.4	-48.4	170.4	-75	175.8	5.4	0	0	111.7	M371 Q377 R378 D399	M371-Q375 WeakPolarHBondContact O-CB 3.34Å; M371-Q375 VanDerWaalsContact O-CG 3.29Å; M371-Q375 WeakPolarHBondContact O-CG 3.4Å; M371-Q375 PolarHBondContact O-N 3.02Å; Q375-Q377 PolarHBondContact O-N 3.37Å; Q375-R378 WeakPolarHBondContact O-CA 3.45Å; Q375-R378 PolarHBondContact O-N 3.46Å; Q375-D399 PolarHBondContact NE2-OD2 2.9Å
376	S	82.3	Confident	82.5	Confident	93 Å²	93	67.6 Å²	67.6	65%	0.65	33%	0.331	S	S	*	.	H	α-helix	trans	-62.9	-31.1	179.3	61.1	0	0	0	0	113	T372 A373 R378	T372-S376 PolarHBondContact O-N 3.06Å; T372-S376 PolarHBondContact O-OG 3.11Å; A373-S376 PolarHBondContact O-OG 3.04Å; S376-R378 PolarHBondContact O-N 3.15Å
377	Q	80.7	Confident	82.7	Confident	114 Å²	114	65.8 Å²	65.8	53%	0.533	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	2.4	172.2	-66.8	175	22.3	0	0	114.2	A373 Q375 K379	A373-Q377 VanDerWaalsContact O-CG 3.32Å; A373-Q377 WeakPolarHBondContact O-CG 3.38Å; A373-Q377 PolarHBondContact O-N 2.8Å; Q375-Q377 PolarHBondContact O-N 3.37Å; Q377-K379 HydrophobicContact CB-CD 4.14Å; Q377-K379 HydrophobicContact CB-CG 4.06Å; Q377-K379 PolarHBondContact O-N 3.02Å; Q377-K379 VanDerWaalsContact O-N 3.14Å; Q377-K379 VanDerWaalsContact OE1-CE 3.23Å
378	R	72.4	Confident	82.7	Confident	232 Å²	232	69.5 Å²	69.5	88%	0.875	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	28.4	-174.7	-58.5	-175.9	179.3	180	-0.3	114.2	A374 Q375 S376	A374-R378 PolarHBondContact O-N 3.1Å; Q375-R378 WeakPolarHBondContact O-CA 3.45Å; Q375-R378 PolarHBondContact O-N 3.46Å; S376-R378 PolarHBondContact O-N 3.15Å
379	K	71.6	Confident	82.7	Confident	97 Å²	97	73.3 Å²	73.3	42%	0.422	35%	0.353	S	S	.	.			trans	-78.7	-35.6	-179	-77	176.7	171.5	167.8	0	112.6	Q349 A374 Q377	Q349-K379 WeakPolarHBondContact CA-O 3.29Å; A374-K379 PolarHBondContact O-N 2.98Å; Q377-K379 HydrophobicContact CB-CD 4.14Å; Q377-K379 HydrophobicContact CB-CG 4.06Å; Q377-K379 PolarHBondContact O-N 3.02Å; Q377-K379 VanDerWaalsContact O-N 3.14Å; Q377-K379 VanDerWaalsContact OE1-CE 3.23Å
380	L	69.4	Low	82.7	Confident	17 Å²	17	68.6 Å²	68.6	9%	0.089	34%	0.338	C	S	.	.			trans	-105.7	139.1	-178.4	-64.2	168.2	0	0	0	110.4	I351 W370 A374 V383	I351-L380 HydrophobicContact CG2-CD2 4.18Å; W370-L380 HydrophobicContact CH2-CD1 3.66Å; W370-L380 HydrophobicContact CH2-CD2 4.5Å; W370-L380 HydrophobicContact CZ2-CD1 4.44Å; W370-L380 HydrophobicContact CZ3-CD1 3.8Å; A374-L380 HydrophobicContact CB-CD1 3.43Å; A374-L380 VanDerWaalsContact CB-CD1 3.43Å; A374-L380 HydrophobicContact CB-CG 4.01Å; L380-V383 HydrophobicContact CB-CG2 4.31Å; L380-V383 HydrophobicContact CD1-CG2 3.78Å; L380-V383 HydrophobicContact CD2-CG2 4.46Å; L380-V383 HydrophobicContact CG-CG2 4.41Å
381	L	58.2	Low	82.6	Confident	146 Å²	146	71.6 Å²	71.6	76%	0.764	35%	0.354	S	S	*	.	S	Bend	trans	-73.8	-51.7	175.6	-76.5	159	0	0	0	111.8
382	T	64.1	Low	82.7	Confident	77 Å²	77	76.8 Å²	76.8	47%	0.472	39%	0.386	S	S	.	.			trans	-158.8	145.9	176.1	50.5	0	0	0	0	109.1	F384	T382-F384 HydrophobicContact CG2-CE2 4.05Å; T382-F384 HydrophobicContact CG2-CZ 3.81Å
383	V	75.9	Confident	82.9	Confident	6 Å²	6	73.6 Å²	73.6	4%	0.036	37%	0.366	C	S	.	.			trans	-137.7	129.4	166.8	-176.1	0	0	0	0	108.4	I351 L353 M371 L380 V385	I351-V383 HydrophobicContact CG2-CB 4.41Å; I351-V383 HydrophobicContact CG2-CG1 4.01Å; I351-V383 HydrophobicContact CG2-CG2 3.45Å; I351-V383 VanDerWaalsContact CG2-CG2 3.45Å; L353-V383 HydrophobicContact CD1-CG1 4.11Å; L353-V383 HydrophobicContact CG-CG1 4.4Å; M371-V383 HydrophobicContact CE-CB 4Å; M371-V383 HydrophobicContact CE-CG1 3.85Å; M371-V383 HydrophobicContact SD-CG1 4.34Å; L380-V383 HydrophobicContact CB-CG2 4.31Å; L380-V383 HydrophobicContact CD1-CG2 3.78Å; L380-V383 HydrophobicContact CD2-CG2 4.46Å; L380-V383 HydrophobicContact CG-CG2 4.41Å; V383-V385 HydrophobicContact CG1-CG2 4.3Å
384	F	83.1	Confident	83.1	Confident	105 Å²	105	77.4 Å²	77.4	46%	0.461	37%	0.372	S	S	.	.			trans	-117.7	99.6	-176.6	-60.1	-68.7	0	0	0	111.1	T382 Y397	T382-F384 HydrophobicContact CG2-CE2 4.05Å; T382-F384 HydrophobicContact CG2-CZ 3.81Å; F384-Y397 HydrophobicContact CB-CD1 4.5Å; F384-Y397 HydrophobicContact CB-CE1 4.32Å; F384-Y397 HydrophobicContact CD1-CE1 4.41Å
385	V	91.6	Very high	83.4	Confident	1 Å²	1	78.8 Å²	78.8	1%	0.006	39%	0.386	C	S	.	.			trans	-105.1	111.4	171.5	177.7	0	0	0	0	107.8	L353 W358 L367 M371 V383 Y397 L398	L353-V385 HydrophobicContact CB-CG2 4.05Å; L353-V385 HydrophobicContact CD1-CG2 3.69Å; W358-V385 HydrophobicContact CB-CG1 4.3Å; W358-V385 HydrophobicContact CD2-CG1 4.1Å; W358-V385 HydrophobicContact CG-CG1 3.76Å; L367-V385 HydrophobicContact CD2-CG2 4.3Å; M371-V385 HydrophobicContact CE-CB 4.32Å; M371-V385 HydrophobicContact CE-CG2 3.94Å; M371-V385 HydrophobicContact SD-CG2 3.85Å; V383-V385 HydrophobicContact CG1-CG2 4.3Å; V385-Y397 CarbonylContact O-C 3.48Å; V385-Y397 VanDerWaalsContact O-CA 3.26Å; V385-Y397 WeakPolarHBondContact O-CA 3.47Å; V385-L398 HydrophobicContact CB-CB 3.99Å; V385-L398 HydrophobicContact CB-CD2 4.28Å; V385-L398 HydrophobicContact CG1-CB 3.96Å; V385-L398 HydrophobicContact CG1-CD2 3.9Å; V385-L398 PolarHBondContact O-N 2.88Å
386	Q	94.3	Very high	83.9	Confident	90 Å²	90	79.9 Å²	79.9	42%	0.421	39%	0.39	S	S	.	.	B	Isolated β-bridge	trans	-104.4	125.4	178	-168.8	177.6	35	0	0	109.8	G395 K396 Y397	Q386-G395 WeakPolarHBondContact CG-O 3.27Å; Q386-G395 PolarHBondContact NE2-O 3.22Å; Q386-K396 CarbonylContact C-O 3.24Å; Q386-K396 WeakPolarHBondContact CA-O 3.23Å; Q386-Y397 HydrophobicContact CB-CD1 4.03Å; Q386-Y397 HydrophobicContact CB-CE1 4.02Å; Q386-Y397 HydrophobicContact CG-CD1 4.42Å; Q386-Y397 HydrophobicContact CG-CE1 4.31Å
387	C	94.8	Very high	84.4	Confident	3 Å²	3	80 Å²	80	2%	0.02	38%	0.377	C	S	.	.			trans	-66.5	131.9	178.6	-59.3	0	0	0	0	110.9	C360 L393 R394 G395 K396	C360-C387 HydrophobicContact CB-CB 3.84Å; C360-C387 WeakPolarHBondContact CB-SG 3.38Å; C360-C387 VanDerWaalsContact SG-CA 3.53Å; C360-C387 WeakPolarHBondContact SG-CB 3.26Å; C360-C387 CovalentContact SG-SG 2.03Å; C360-C387 PolarHBondContact SG-SG 3.37Å; C387-L393 HydrophobicContact CB-CB 4.19Å; C387-L393 WeakPolarHBondContact CB-O 3.45Å; C387-R394 CarbonylContact O-C 3.55Å; C387-R394 WeakPolarHBondContact O-CA 3.09Å; C387-G395 PolarHBondContact O-N 2.91Å; C387-K396 PolarHBondContact N-O 3.33Å
388	H	94.4	Very high	84.9	Confident	78 Å²	78	74.6 Å²	74.6	36%	0.361	35%	0.351	S	S	.	.			trans	-97.9	-41.3	168.6	-163.6	108.1	0	0	0	111.4	N357 W358 R394	N357-H388 WeakPolarHBondContact OD1-CB 3.48Å; N357-H388 PolarHBondContact OD1-CD2 2.81Å; W358-H388 PolarHBondContact O-N 2.87Å; H388-R394 WeakPolarHBondContact O-CB 3.45Å; H388-R394 WeakPolarHBondContact O-CG 3.29Å
389	Y	91.3	Very high	85.6	Confident	105 Å²	105	66.1 Å²	66.1	41%	0.412	32%	0.323	S	S	.	.	B	Isolated β-bridge	trans	-131.9	149.7	-179.3	-167.8	-110.1	0	0	0	109.7	W358 T359 C360 L409	W358-Y389 PolarHBondContact O-N 3.08Å; T359-Y389 CarbonylContact C-O 3.39Å; T359-Y389 WeakPolarHBondContact CA-O 3.46Å; T359-Y389 HydrophobicContact CG2-CD1 3.95Å; C360-Y389 PolarHBondContact N-O 2.79Å; Y389-L409 HydrophobicContact CD1-CD1 3.65Å; Y389-L409 HydrophobicContact CE1-CD1 3.42Å; Y389-L409 VanDerWaalsContact CE1-CD1 3.42Å; Y389-L409 HydrophobicContact CE1-CD2 3.84Å; Y389-L409 HydrophobicContact CE1-CG 4.2Å
390	P	90.8	Very high	86.4	Confident	22 Å²	22	71.2 Å²	71.2	14%	0.143	34%	0.341	C	S	.	.	S	Bend	cis	-64.8	159.5	-8	29.6	-36.1	0	0	0	113.1	T392 L393 R394 L409	P390-T392 PolarHBondContact O-N 3.27Å; P390-T392 VanDerWaalsContact O-N 3.08Å; P390-L393 HydrophobicContact CG-CB 4.34Å; P390-L393 HydrophobicContact CG-CD1 4.08Å; P390-L393 HydrophobicContact CG-CG 4.15Å; P390-L393 PolarHBondContact O-N 2.84Å; P390-R394 PolarHBondContact O-N 3.05Å; P390-R394 VanDerWaalsContact O-N 3.12Å; P390-L409 HydrophobicContact CB-CD1 4.34Å; P390-L409 HydrophobicContact CG-CD1 4.46Å
391	E	88.2	Confident	87.3	Confident	115 Å²	115	70.5 Å²	70.5	54%	0.537	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-30.8	179.8	-66.1	-69	170.4	0	0	113.3	L393 R394	E391-L393 PolarHBondContact O-N 3.08Å; E391-R394 WeakPolarHBondContact O-CB 3.4Å; E391-R394 PolarHBondContact O-N 3.21Å; E391-R394 IonicContact OE1-CZ 3.8Å; E391-R394 IonicContact OE1-NH1 3.43Å; E391-R394 PolarHBondContact OE1-NH1 3.06Å; E391-R394 WeakPolarHBondContact OE2-CD 3.33Å; E391-R394 IonicContact OE2-CZ 3.3Å; E391-R394 IonicContact OE2-NE 3.71Å; E391-R394 IonicContact OE2-NH1 3.76Å; E391-R394 PolarHBondContact OE2-NH1 2.96Å
392	T	90.9	Very high	88.6	Confident	109 Å²	109	68 Å²	68	67%	0.669	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-19	176	53.5	0	0	0	0	114.3	P390 K396	P390-T392 PolarHBondContact O-N 3.27Å; P390-T392 VanDerWaalsContact O-N 3.08Å; T392-K396 PolarHBondContact O-NZ 3.26Å
393	L	91.7	Very high	89.6	Confident	7 Å²	7	66.3 Å²	66.3	4%	0.037	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-7	177.1	-63.7	-179.4	0	0	0	112.9	C360 C387 P390 E391 G395 K396 V401 Q405	C360-L393 HydrophobicContact CB-CD1 3.99Å; C387-L393 HydrophobicContact CB-CB 4.19Å; C387-L393 WeakPolarHBondContact CB-O 3.45Å; P390-L393 HydrophobicContact CG-CB 4.34Å; P390-L393 HydrophobicContact CG-CD1 4.08Å; P390-L393 HydrophobicContact CG-CG 4.15Å; P390-L393 PolarHBondContact O-N 2.84Å; E391-L393 PolarHBondContact O-N 3.08Å; L393-G395 PolarHBondContact O-N 3.29Å; L393-K396 HydrophobicContact CD2-CD 4.16Å; L393-K396 VanDerWaalsContact O-CB 3.29Å; L393-K396 WeakPolarHBondContact O-CB 3.06Å; L393-K396 WeakPolarHBondContact O-CG 3.18Å; L393-K396 PolarHBondContact O-N 3.09Å; L393-V401 HydrophobicContact CD1-CG1 3.93Å; L393-V401 HydrophobicContact CD2-CG1 4.11Å; L393-V401 HydrophobicContact CD2-CG2 4.22Å; L393-Q405 HydrophobicContact CD2-CB 4.43Å
394	R	92.9	Very high	90	Very high	124 Å²	124	69.6 Å²	69.6	47%	0.468	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	133.1	-176.3	-173.6	170.3	-174.7	171.7	8.9	112.4	C387 H388 P390 E391 K396	C387-R394 CarbonylContact O-C 3.55Å; C387-R394 WeakPolarHBondContact O-CA 3.09Å; H388-R394 WeakPolarHBondContact O-CB 3.45Å; H388-R394 WeakPolarHBondContact O-CG 3.29Å; P390-R394 PolarHBondContact O-N 3.05Å; P390-R394 VanDerWaalsContact O-N 3.12Å; E391-R394 WeakPolarHBondContact O-CB 3.4Å; E391-R394 PolarHBondContact O-N 3.21Å; E391-R394 IonicContact OE1-CZ 3.8Å; E391-R394 IonicContact OE1-NH1 3.43Å; E391-R394 PolarHBondContact OE1-NH1 3.06Å; E391-R394 WeakPolarHBondContact OE2-CD 3.33Å; E391-R394 IonicContact OE2-CZ 3.3Å; E391-R394 IonicContact OE2-NE 3.71Å; E391-R394 IonicContact OE2-NH1 3.76Å; E391-R394 PolarHBondContact OE2-NH1 2.96Å; R394-K396 PolarHBondContact O-N 2.89Å
395	G	91.6	Very high	90	Very high	36 Å²	36	68.8 Å²	68.8	37%	0.371	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	-12.9	-178.9	0	0	0	0	0	115.3	Q386 C387 L393	Q386-G395 WeakPolarHBondContact CG-O 3.27Å; Q386-G395 PolarHBondContact NE2-O 3.22Å; C387-G395 PolarHBondContact O-N 2.91Å; L393-G395 PolarHBondContact O-N 3.29Å
396	K	92.1	Very high	89.7	Confident	100 Å²	100	69.1 Å²	69.1	44%	0.435	34%	0.339	S	S	.	.			trans	-77.4	149.2	174.8	-59.6	174.3	-174.8	157.4	0	110.7	Q386 C387 T392 L393 R394 V401	Q386-K396 CarbonylContact C-O 3.24Å; Q386-K396 WeakPolarHBondContact CA-O 3.23Å; C387-K396 PolarHBondContact N-O 3.33Å; T392-K396 PolarHBondContact O-NZ 3.26Å; L393-K396 HydrophobicContact CD2-CD 4.16Å; L393-K396 VanDerWaalsContact O-CB 3.29Å; L393-K396 WeakPolarHBondContact O-CB 3.06Å; L393-K396 WeakPolarHBondContact O-CG 3.18Å; L393-K396 PolarHBondContact O-N 3.09Å; R394-K396 PolarHBondContact O-N 2.89Å; K396-V401 HydrophobicContact CB-CG2 4.07Å
397	Y	92.4	Very high	89	Confident	97 Å²	97	71 Å²	71	38%	0.38	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-86.2	141.5	171.1	-60.2	-81.9	0	0	0	111	F384 V385 Q386 D399 Y400 V401	F384-Y397 HydrophobicContact CB-CD1 4.5Å; F384-Y397 HydrophobicContact CB-CE1 4.32Å; F384-Y397 HydrophobicContact CD1-CE1 4.41Å; V385-Y397 CarbonylContact O-C 3.48Å; V385-Y397 VanDerWaalsContact O-CA 3.26Å; V385-Y397 WeakPolarHBondContact O-CA 3.47Å; Q386-Y397 HydrophobicContact CB-CD1 4.03Å; Q386-Y397 HydrophobicContact CB-CE1 4.02Å; Q386-Y397 HydrophobicContact CG-CD1 4.42Å; Q386-Y397 HydrophobicContact CG-CE1 4.31Å; Y397-D399 PolarHBondContact O-N 3.21Å; Y397-Y400 HydrophobicContact CD2-CD2 4.46Å; Y397-Y400 HydrophobicContact CD2-CE2 4.48Å; Y397-Y400 PolarHBondContact O-N 2.8Å; Y397-V401 PolarHBondContact O-N 2.96Å
398	L	91	Very high	88	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-56	-34.9	-174.7	-176.1	58.9	0	0	0	113.2	L364 K368 M371 V385 Y400 V401 L406	L364-L398 HydrophobicContact CB-CD2 4.29Å; K368-L398 HydrophobicContact CB-CD1 4.27Å; K368-L398 HydrophobicContact CB-CD2 4Å; K368-L398 HydrophobicContact CB-CG 3.98Å; K368-L398 HydrophobicContact CD-CD1 4.34Å; K368-L398 HydrophobicContact CD-CG 4.47Å; K368-L398 HydrophobicContact CG-CD1 4.49Å; K368-L398 HydrophobicContact CG-CG 4.14Å; M371-L398 HydrophobicContact SD-CD2 4.19Å; V385-L398 HydrophobicContact CB-CB 3.99Å; V385-L398 HydrophobicContact CB-CD2 4.28Å; V385-L398 HydrophobicContact CG1-CB 3.96Å; V385-L398 HydrophobicContact CG1-CD2 3.9Å; V385-L398 PolarHBondContact O-N 2.88Å; L398-Y400 PolarHBondContact O-N 3.13Å; L398-V401 PolarHBondContact O-N 2.94Å; L398-V401 VanDerWaalsContact O-N 3.11Å; L398-L406 HydrophobicContact CD1-CD1 4.31Å; L398-L406 HydrophobicContact CD1-CD2 4.19Å
399	D	87.3	Confident	86.4	Confident	54 Å²	54	73 Å²	73	29%	0.289	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-58	-31	176.4	-65.8	18.9	0	0	0	113	M371 Q375 Y397	M371-D399 WeakPolarHBondContact CE-OD1 3.36Å; Q375-D399 PolarHBondContact NE2-OD2 2.9Å; Y397-D399 PolarHBondContact O-N 3.21Å
400	Y	87.6	Confident	84.9	Confident	203 Å²	203	70.8 Å²	70.8	80%	0.796	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-98.5	-1.8	179.6	-56.3	-59.4	0	0	0	113.7	Y397 L398	Y397-Y400 HydrophobicContact CD2-CD2 4.46Å; Y397-Y400 HydrophobicContact CD2-CE2 4.48Å; Y397-Y400 PolarHBondContact O-N 2.8Å; L398-Y400 PolarHBondContact O-N 3.13Å
401	V	88.3	Confident	82.7	Confident	2 Å²	2	77.4 Å²	77.4	1%	0.012	41%	0.408	C	S	.	.	S	Bend	trans	-87.4	128.5	175.9	173.4	0	0	0	0	109.1	K368 L393 K396 Y397 L398 Q405 L406	K368-V401 WeakPolarHBondContact CE-O 3.48Å; K368-V401 PolarHBondContact NZ-O 3.09Å; L393-V401 HydrophobicContact CD1-CG1 3.93Å; L393-V401 HydrophobicContact CD2-CG1 4.11Å; L393-V401 HydrophobicContact CD2-CG2 4.22Å; K396-V401 HydrophobicContact CB-CG2 4.07Å; Y397-V401 PolarHBondContact O-N 2.96Å; L398-V401 PolarHBondContact O-N 2.94Å; L398-V401 VanDerWaalsContact O-N 3.11Å; V401-Q405 HydrophobicContact CG1-CB 4.09Å; V401-L406 HydrophobicContact CG1-CD2 3.86Å; V401-L406 HydrophobicContact CG1-CG 4.3Å
402	N	86.5	Confident	80.9	Confident	94 Å²	94	80.5 Å²	80.5	50%	0.503	42%	0.415	S	S	.	.			trans	-70.4	142.4	177.3	-166.2	-5.2	0	0	0	110.1	S404 Q405	N402-S404 PolarHBondContact ND2-OG 2.94Å; N402-S404 PolarHBondContact O-N 2.87Å; N402-Q405 HydrophobicContact CB-CG 4.19Å; N402-Q405 WeakPolarHBondContact O-CB 3.27Å; N402-Q405 PolarHBondContact O-N 3.09Å
403	S	85.4	Confident	78.7	Confident	42 Å²	42	80.7 Å²	80.7	29%	0.294	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-61.5	-29.7	180	-57.9	0	0	0	0	111.5	K368 Q405 L406	K368-S403 PolarHBondContact NZ-OG 3.07Å; S403-Q405 PolarHBondContact O-N 3.18Å; S403-Q405 VanDerWaalsContact O-N 3.08Å; S403-L406 PolarHBondContact O-N 3.43Å; S403-L406 VanDerWaalsContact O-N 3.11Å
404	S	83.1	Confident	76.7	Confident	75 Å²	75	88.4 Å²	88.4	52%	0.524	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-66.2	-3.4	172.1	73.1	0	0	0	0	114.9	N402 H407	N402-S404 PolarHBondContact ND2-OG 2.94Å; N402-S404 PolarHBondContact O-N 2.87Å; S404-H407 PolarHBondContact O-CE1 3.21Å; S404-H407 PolarHBondContact O-NE2 3.34Å
405	Q	84.3	Confident	74.8	Confident	87 Å²	87	85.4 Å²	85.4	41%	0.407	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-102.6	-10.3	174.8	-62.3	172.5	-45.7	0	0	112.4	L393 V401 N402 S403 H407	L393-Q405 HydrophobicContact CD2-CB 4.43Å; V401-Q405 HydrophobicContact CG1-CB 4.09Å; N402-Q405 HydrophobicContact CB-CG 4.19Å; N402-Q405 WeakPolarHBondContact O-CB 3.27Å; N402-Q405 PolarHBondContact O-N 3.09Å; S403-Q405 PolarHBondContact O-N 3.18Å; S403-Q405 VanDerWaalsContact O-N 3.08Å; Q405-H407 PolarHBondContact O-N 2.89Å
406	L	85.6	Confident	73.3	Confident	9 Å²	9	85.8 Å²	85.8	5%	0.047	44%	0.442	C	S	.	.			trans	-83.4	56.2	179.8	-61	177.9	0	0	0	111	C360 C362 E365 K368 L398 V401 S403	C360-L406 HydrophobicContact CB-CD2 3.8Å; C360-L406 WeakPolarHBondContact O-CD2 3.46Å; C362-L406 WeakPolarHBondContact CA-O 3.07Å; C362-L406 PolarHBondContact N-O 3.5Å; C362-L406 VanDerWaalsContact N-O 3.15Å; E365-L406 HydrophobicContact CB-CD1 4.17Å; E365-L406 HydrophobicContact CG-CD1 4.14Å; K368-L406 HydrophobicContact CD-CD1 4.26Å; L398-L406 HydrophobicContact CD1-CD1 4.31Å; L398-L406 HydrophobicContact CD1-CD2 4.19Å; V401-L406 HydrophobicContact CG1-CD2 3.86Å; V401-L406 HydrophobicContact CG1-CG 4.3Å; S403-L406 PolarHBondContact O-N 3.43Å; S403-L406 VanDerWaalsContact O-N 3.11Å
407	H	78.6	Confident	71.3	Confident	128 Å²	128	88.7 Å²	88.7	59%	0.593	46%	0.457	S	S	*	.			trans	-71	154.3	-177.4	-64.7	-46.6	0	0	0	113.1	D361 S404 Q405	D361-H407 WeakPolarHBondContact CB-O 3.21Å; S404-H407 PolarHBondContact O-CE1 3.21Å; S404-H407 PolarHBondContact O-NE2 3.34Å; Q405-H407 PolarHBondContact O-N 2.89Å
408	P	73.3	Confident	69	Low	64 Å²	64	88.3 Å²	88.3	42%	0.416	47%	0.468	S	S	.	.			trans	-56.3	136.9	163.9	23.1	-33	0	0	0	111.3
409	L	62.4	Low	66.4	Low	59 Å²	59	92 Å²	92	31%	0.309	51%	0.507	S	S	.	.			trans	-100.1	104.4	178.3	-96.2	159	0	0	0	110.9	T359 D361 Y389 P390 W412	T359-L409 HydrophobicContact CG2-CD1 3.99Å; D361-L409 HydrophobicContact CB-CD1 4.22Å; Y389-L409 HydrophobicContact CD1-CD1 3.65Å; Y389-L409 HydrophobicContact CE1-CD1 3.42Å; Y389-L409 VanDerWaalsContact CE1-CD1 3.42Å; Y389-L409 HydrophobicContact CE1-CD2 3.84Å; Y389-L409 HydrophobicContact CE1-CG 4.2Å; P390-L409 HydrophobicContact CB-CD1 4.34Å; P390-L409 HydrophobicContact CG-CD1 4.46Å; L409-W412 VanDerWaalsContact O-CD1 3.25Å
410	G	58.8	Low	63.8	Low	60 Å²	60	95.3 Å²	95.3	62%	0.619	53%	0.534	S	S	*	.	S	Bend	trans	81.8	-162.2	-180	0	0	0	0	0	113.6	W412	G410-W412 PolarHBondContact O-N 3.21Å
411	N	45.3	Very low	61	Low	161 Å²	161	88.5 Å²	88.5	86%	0.861	53%	0.525	S	S	*	.	S	Bend	trans	-73.4	21.3	-168.6	-138.1	22.3	0	0	0	114.8	N413	N411-N413 VanDerWaalsContact C-N 3.25Å; N411-N413 PolarHBondContact O-N 3.35Å
412	W	50.3	Low	58.5	Low	180 Å²	180	94.8 Å²	94.8	68%	0.682	57%	0.566	S	S	*	*			trans	-85.3	52.7	-172.1	-67.6	78.9	0	0	0	112.3	L409 G410 H414 S415	L409-W412 VanDerWaalsContact O-CD1 3.25Å; G410-W412 PolarHBondContact O-N 3.21Å; W412-H414 PolarHBondContact O-N 2.87Å; W412-S415 PolarHBondContact O-N 2.92Å; W412-S415 PolarHBondContact O-OG 3.34Å
413	N	44.9	Very low	56	Low	113 Å²	113	98.9 Å²	98.9	60%	0.604	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.7	-6.2	-174.7	-110.5	9.3	0	0	0	115.4	N411	N411-N413 VanDerWaalsContact C-N 3.25Å; N411-N413 PolarHBondContact O-N 3.35Å
414	H	49.2	Very low	53.5	Low	169 Å²	169	104.4 Å²	104.4	78%	0.782	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.2	-10.1	-173.3	-63.3	-64.9	0	0	0	115	W412	W412-H414 PolarHBondContact O-N 2.87Å
415	S	52.8	Low	51	Low	61 Å²	61	105.9 Å²	105.9	43%	0.427	62%	0.619	S	S	.	*	S	Bend	trans	-98.1	-1.4	-176.9	56.3	0	0	0	0	115.1	W412	W412-S415 PolarHBondContact O-N 2.92Å; W412-S415 PolarHBondContact O-OG 3.34Å
416	C	59.8	Low	48.6	Very low	44 Å²	44	113.7 Å²	113.7	30%	0.297	64%	0.644	S	S	.	*	S	Bend	trans	-113.7	6.8	179.6	-57.8	0	0	0	0	113.9	C362 S418	C362-C416 HydrophobicContact CB-CB 3.63Å; C362-C416 WeakPolarHBondContact CB-SG 3.49Å; C362-C416 VanDerWaalsContact SG-CA 3.56Å; C362-C416 WeakPolarHBondContact SG-CB 3.22Å; C362-C416 CovalentContact SG-SG 2.03Å; C362-C416 PolarHBondContact SG-SG 2.69Å; C416-S418 PolarHBondContact O-N 3.11Å
417	Q	51.5	Low	45.9	Very low	161 Å²	161	116.6 Å²	116.6	75%	0.752	68%	0.677	S	S	*	*			trans	-90	86.3	-177.7	-71	-168.2	-14.4	0	0	111.6
418	S	42.7	Very low	43.5	Very low	89 Å²	89	122.4 Å²	122.4	62%	0.622	69%	0.693	S	S	*	*			trans	-118.2	109.2	170	-71	0	0	0	0	111	C416	C416-S418 PolarHBondContact O-N 3.11Å
419	G	37.8	Very low	41.2	Very low	78 Å²	78	122.8 Å²	122.8	80%	0.804	71%	0.709	S	S	*	*			trans	25.9	100.6	164.5	0	0	0	0	0	119.3	G421	G419-G421 PolarHBondContact O-N 2.98Å
420	S	32.7	Very low	39.6	Very low	123 Å²	123	126.9 Å²	126.9	86%	0.86	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-63.4	116.4	154.9	54.2	0	0	0	0	109.5
421	G	27.4	Very low	38	Very low	60 Å²	60	135.4 Å²	135.4	62%	0.619	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-58.7	144.6	165.5	0	0	0	0	0	110.3	G419 E423	G419-G421 PolarHBondContact O-N 2.98Å; G421-E423 PolarHBondContact O-N 3.11Å
422	P	37.2	Very low	37.1	Very low	133 Å²	133	138.1 Å²	138.1	86%	0.864	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-69.2	120.7	-176	27.7	-33.7	0	0	0	110.8
423	E	32.2	Very low	35.8	Very low	181 Å²	181	138 Å²	138	85%	0.846	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-69.7	133.7	167.2	-70.3	-167	134.8	0	0	110.5	G421 S425	G421-E423 PolarHBondContact O-N 3.11Å; E423-S425 PolarHBondContact O-N 3.09Å; E423-S425 VanDerWaalsContact O-N 3.15Å
424	D	34.1	Very low	34.9	Very low	158 Å²	158	138.7 Å²	138.7	85%	0.845	76%	0.761	S	S	*	*			trans	-72.5	104.2	177.3	-131.1	-34.3	0	0	0	109.5
425	S	31.2	Very low	33.8	Very low	105 Å²	105	137.9 Å²	137.9	73%	0.734	76%	0.762	S	S	*	*			trans	-143.1	100.8	178	-86.8	0	0	0	0	112.7	E423 G427	E423-S425 PolarHBondContact O-N 3.09Å; E423-S425 VanDerWaalsContact O-N 3.15Å; S425-G427 PolarHBondContact O-N 3.04Å
426	R	33.2	Very low	32.5	Very low	252 Å²	252	138.1 Å²	138.1	95%	0.951	78%	0.775	S	S	*	*			trans	-71.4	116.7	178.2	-59.4	170	178.8	172.2	-2.3	110.4
427	G	28.7	Very low	31.1	Very low	70 Å²	70	145.3 Å²	145.3	72%	0.722	80%	0.801	S	S	*	*			trans	-158.9	56.2	-170.3	0	0	0	0	0	119.1	S425	S425-G427 PolarHBondContact O-N 3.04Å
428	R	27.2	Very low	29.9	Very low	249 Å²	249	144.1 Å²	144.1	94%	0.94	80%	0.8	S	S	*	*			trans	32.1	90.1	150.9	-171.9	-173.5	-68.8	-126.4	-0.1	117.3
429	G	26.2	Very low	29.3	Very low	72 Å²	72	143.2 Å²	143.2	74%	0.742	80%	0.804	S	S	*	*			trans	-80.1	-171.1	174.8	0	0	0	0	0	115.6
430	V	28	Very low	28.7	Very low	146 Å²	146	146.6 Å²	146.6	89%	0.885	81%	0.81	S	S	*	*			trans	-143.1	143.8	171.6	155.1	0	0	0	0	110.4
431	R	26	Very low	28.7	Very low	238 Å²	238	149.7 Å²	149.7	90%	0.898	81%	0.808	S	S	*	*			trans	-78.3	142.2	168.9	-73.6	174.2	167.3	170.8	-4.5	111.3
432	K	25.7	Very low	28.7	Very low	218 Å²	218	153.6 Å²	153.6	95%	0.948	81%	0.814	S	S	*	*			trans	-136.9	164.4	139.5	-110.5	178.5	-178.5	-178.7	0	110.3
433	K	22.9	Very low	28.2	Very low	179 Å²	179	153.2 Å²	153.2	78%	0.778	80%	0.799	S	S	*	*			trans	-154.1	162.1	-155.8	-162.2	-163.1	174.3	-164.4	0	109.4
434	L	26.7	Very low	27.9	Very low	126 Å²	126	149.5 Å²	149.5	66%	0.66	79%	0.789	S	S	*	*			trans	95.2	134.5	158.5	-64.2	166	0	0	0	119.1
435	D	25.7	Very low	27.5	Very low	152 Å²	152	148.5 Å²	148.5	81%	0.813	78%	0.779	S	S	*	*			trans	62.6	142.5	147.6	-48.3	-23.6	0	0	0	121.9
436	G	26	Very low	27.3	Very low	67 Å²	67	151.2 Å²	151.2	69%	0.691	79%	0.785	S	S	*	*			cis	158	145.7	-12.3	0	0	0	0	0	115.7
437	K	30.1	Very low	27	Very low	194 Å²	194	142.2 Å²	142.2	84%	0.843	77%	0.77	S	S	*	*			trans	68	155.3	170	-70.3	-175.3	161.7	-159.1	0	117.8
438	D	27.3	Very low	26.9	Very low	136 Å²	136	147.7 Å²	147.7	73%	0.727	78%	0.777	S	S	*	*			cis	-134.9	147.1	-13.2	-99.6	-39.7	0	0	0	106.9
439	G	28.6	Very low	26.8	Very low	70 Å²	70	146.5 Å²	146.5	72%	0.722	77%	0.772	S	S	*	*				96.6	119.9	86.1	0	0	0	0	0	110.5
440	T	26.6	Very low	26.8	Very low	149 Å²	149	150.8 Å²	150.8	91%	0.914	77%	0.773	S	S	*	*				-144.5	156.6	57	23.9	0	0	0	0	117.1
441	K	32.2	Very low	26.7	Very low	188 Å²	188	147.6 Å²	147.6	82%	0.817	77%	0.769	S	S	*	*			trans	-49.3	164.3	168.7	-63.8	165.1	-178	173.4	0	114
442	N	26.5	Very low	26.7	Very low	142 Å²	142	143.1 Å²	143.1	76%	0.759	76%	0.763	S	S	*	*			cis	-162.9	179.1	9.7	-121.6	9.5	0	0	0	106.5
443	K	26.5	Very low	26.7	Very low	125 Å²	125	143 Å²	143	54%	0.543	76%	0.756	S	S	.	*			cis	-160.6	147.8	-14.3	-125	-127.7	168	-177.6	0	102.4	E445	K443-E445 WeakPolarHBondContact CE-OE1 3.49Å; K443-E445 IonicContact NZ-OE1 2.69Å; K443-E445 PolarHBondContact NZ-OE1 3.07Å; K443-E445 IonicContact NZ-OE2 2.65Å; K443-E445 PolarHBondContact NZ-OE2 3.26Å
444	T	25.8	Very low	26.8	Very low	103 Å²	103	141.3 Å²	141.3	63%	0.632	75%	0.751	S	S	*	*			cis	60.5	149.2	45	83.4	0	0	0	0	113.8
445	E	26.9	Very low	26.8	Very low	138 Å²	138	142.3 Å²	142.3	65%	0.645	76%	0.756	S	S	*	*			cis	-117.2	168.2	3.6	-69.2	122.1	175	0	0	110.4	K443	K443-E445 WeakPolarHBondContact CE-OE1 3.49Å; K443-E445 IonicContact NZ-OE1 2.69Å; K443-E445 PolarHBondContact NZ-OE1 3.07Å; K443-E445 IonicContact NZ-OE2 2.65Å; K443-E445 PolarHBondContact NZ-OE2 3.26Å
446	L	26.7	Very low	26.8	Very low	162 Å²	162	140.8 Å²	140.8	85%	0.848	75%	0.748	S	S	*	*			cis	64.7	137.4	40.4	-77.4	158.5	0	0	0	113.9
447	G	26.3	Very low	26.8	Very low	62 Å²	62	148.8 Å²	148.8	64%	0.639	76%	0.757	S	S	*	*			cis	-174.6	-170.2	-3.4	0	0	0	0	0	113.2
448	E	26.9	Very low	26.4	Very low	185 Å²	185	143.1 Å²	143.1	86%	0.864	75%	0.754	S	S	*	*			trans	18.2	133.9	155.8	-54.2	-179.1	146.6	0	0	121.5
449	R	25.4	Very low	26.3	Very low	225 Å²	225	140 Å²	140	85%	0.849	75%	0.754	S	S	*	*				-166.6	176.1	101.3	-119.8	-172.6	162.7	140.7	4.7	116.8
450	E	26.4	Very low	26	Very low	162 Å²	162	142.9 Å²	142.9	76%	0.757	76%	0.758	S	S	*	*			trans	-82.3	163.5	-167.9	-53.5	145.8	100.3	0	0	114.4
451	G	25.6	Very low	25.8	Very low	78 Å²	78	141.5 Å²	141.5	80%	0.804	75%	0.749	S	S	*	*			trans	-161.8	134.1	171.1	0	0	0	0	0	112.9
452	L	25.4	Very low	25.3	Very low	145 Å²	145	139.4 Å²	139.4	76%	0.759	74%	0.744	S	S	*	*			trans	-103.1	153.6	-169.4	-114.1	76.3	0	0	0	113.9
453	R	26.1	Very low	25.1	Very low	215 Å²	215	141.4 Å²	141.4	81%	0.811	74%	0.741	S	S	*	*			trans	67.5	169.9	154.1	-70.5	176	-176.6	175.9	1.6	117.2
454	Q	24.8	Very low	25	Very low	144 Å²	144	143.3 Å²	143.3	67%	0.673	74%	0.744	S	S	*	*			cis	-179.1	155.5	-35.8	-171.1	178.1	4.4	0	0	106.9
455	L	26.1	Very low	24.8	Very low	146 Å²	146	143.5 Å²	143.5	76%	0.764	74%	0.738	S	S	*	*			trans	67.4	161	173.7	-63.7	124	0	0	0	116
456	N	25.7	Very low	24.6	Very low	120 Å²	120	145.9 Å²	145.9	64%	0.642	74%	0.742	S	S	*	*			cis	-170.5	145.9	-34.2	-170.8	13.1	0	0	0	109.4
457	R	26.1	Very low	24.5	Very low	235 Å²	235	143.9 Å²	143.9	89%	0.887	73%	0.728	S	S	*	*			trans	60.9	160.6	175	-63.8	168.9	174.3	173.4	-4.3	115.3
458	G	22.7	Very low	24.6	Very low	75 Å²	75	148.5 Å²	148.5	77%	0.773	73%	0.73	S	S	*	*			cis	158	103.8	-14	0	0	0	0	0	113.8
459	G	24.3	Very low	24.7	Very low	71 Å²	71	150.2 Å²	150.2	73%	0.732	73%	0.729	S	S	*	*			trans	81.3	173.9	172.9	0	0	0	0	0	116
460	T	22.6	Very low	24.9	Very low	130 Å²	130	148.8 Å²	148.8	80%	0.798	73%	0.729	S	S	*	*			cis	-164.8	123	-16.7	-82.5	0	0	0	0	110.1
461	V	23.6	Very low	24.9	Very low	121 Å²	121	152.8 Å²	152.8	73%	0.733	74%	0.737	S	S	*	*			trans	73	152.1	154.1	159.6	0	0	0	0	121.2
462	M	21.6	Very low	24.8	Very low	144 Å²	144	152.5 Å²	152.5	71%	0.709	73%	0.734	S	S	*	*			trans	70.4	126.8	175.5	-71.8	-31.4	174	0	0	117
463	R	22.1	Very low	24.8	Very low	183 Å²	183	148.9 Å²	148.9	69%	0.691	73%	0.732	S	S	*	*				63.1	130.9	72.5	-83.4	-172.9	140.5	164	-3.3	111
464	R	23.7	Very low	24.8	Very low	165 Å²	165	146.7 Å²	146.7	62%	0.623	73%	0.731	S	S	*	*			cis	-163.3	148	27.2	-129.6	171.3	160.3	176.6	-21.9	114
465	E	22.4	Very low	24.8	Very low	108 Å²	108	146.9 Å²	146.9	51%	0.505	73%	0.732	S	S	.	*			trans	68.7	150.7	137	-82.7	156.5	-166.9	0	0	124.6
466	W	22.5	Very low	24.8	Very low	188 Å²	188	148 Å²	148	71%	0.712	73%	0.733	S	S	*	*			trans	48.1	136.6	154.3	-83.8	-85.1	0	0	0	121.4
467	E	25.1	Very low	24.9	Very low	119 Å²	119	147.7 Å²	147.7	56%	0.556	74%	0.735	S	S	*	*			cis	176.6	-175.9	-20.8	-145.9	-176.1	-138.2	0	0	110.6
468	K	28.3	Very low	24.8	Very low	160 Å²	160	144 Å²	144	70%	0.696	73%	0.728	S	S	*	*			trans	71.7	152	156.6	-78.9	154.5	175.3	127.8	0	114.8
469	R	27.5	Very low	24.9	Very low	221 Å²	221	146.6 Å²	146.6	83%	0.834	72%	0.723	S	S	*	*			cis	-153.3	138	24.7	-143.4	166	-166.1	-178.1	3.6	114
470	K	30.3	Very low	25	Very low	194 Å²	194	151.6 Å²	151.6	84%	0.843	73%	0.727	S	S	*	*			trans	26	132.9	147.7	-66.4	-169.4	171.8	-165.7	0	121.2
471	R	25.8	Very low	25.2	Very low	246 Å²	246	148.9 Å²	148.9	93%	0.928	73%	0.725	S	S	*	*				-163.6	146.8	91.6	-93.4	177.1	-175.7	-157.2	-0.3	108.8
472	G	24	Very low	25.3	Very low	72 Å²	72	149.8 Å²	149.8	74%	0.742	73%	0.726	S	S	*	*			cis	105.4	125.4	-2	0	0	0	0	0	113
473	G	25.8	Very low	25.5	Very low	70 Å²	70	151.3 Å²	151.3	72%	0.722	73%	0.731	S	S	*	*			cis	-148.8	-124.5	7.8	0	0	0	0	0	113.6
474	Q	25.1	Very low	25.6	Very low	169 Å²	169	146.7 Å²	146.7	79%	0.79	74%	0.74	S	S	*	*			trans	78.2	132.7	-175.3	-46.7	-136.9	-93.8	0	0	117.5
475	E	26.1	Very low	25.6	Very low	147 Å²	147	142.4 Å²	142.4	69%	0.687	75%	0.748	S	S	*	*			cis	179.8	158.7	-29.2	-121.9	89.5	-93.2	0	0	103.3
476	E	25.6	Very low	25.8	Very low	170 Å²	170	145.8 Å²	145.8	79%	0.794	77%	0.768	S	S	*	*			cis	-152.3	-173.9	4	-96.5	-161	108.7	0	0	105.2
477	V	27.5	Very low	25.8	Very low	113 Å²	113	145.6 Å²	145.6	69%	0.685	78%	0.775	S	S	*	*			cis	-178.8	135.6	-32.5	151.2	0	0	0	0	102.7
478	E	23.7	Very low	25.7	Very low	158 Å²	158	144.6 Å²	144.6	74%	0.738	79%	0.788	S	S	*	*			cis	-158.1	-158.7	-8.6	-111.3	-73.6	78.8	0	0	105.3
479	I	26.5	Very low	25.4	Very low	130 Å²	130	141.5 Å²	141.5	67%	0.667	79%	0.792	S	S	*	*			cis	-154.7	159.6	10.9	-148.5	172.3	0	0	0	111.1
480	Q	25.5	Very low	25.3	Very low	175 Å²	175	140 Å²	140	82%	0.818	79%	0.794	S	S	*	*			trans	24.5	126.4	148.7	-158.9	161.2	27.4	0	0	121.6
481	G	26.1	Very low	25.3	Very low	73 Å²	73	136.2 Å²	136.2	75%	0.753	79%	0.79	S	S	*	*			trans	-164.1	-29.6	175.7	0	0	0	0	0	119
482	D	26.2	Very low	25.1	Very low	141 Å²	141	129 Å²	129	75%	0.754	78%	0.777	S	S	*	*			trans	58.1	153.7	162.7	-152.9	22.6	0	0	0	122
483	Q	26.8	Very low	25.1	Very low	176 Å²	176	132.1 Å²	132.1	82%	0.822	78%	0.775	S	S	*	*			trans	69.2	148	166.1	-48.4	-169.2	11.6	0	0	121.8
484	G	23.9	Very low	25	Very low	85 Å²	85	134.7 Å²	134.7	88%	0.876	77%	0.771	S	S	*	*			trans	119.5	134.7	163.6	0	0	0	0	0	115.2
485	G	23.8	Very low	25	Very low	76 Å²	76	135.7 Å²	135.7	78%	0.784	77%	0.773	S	S	*	*			trans	-168.9	-159.2	177.2	0	0	0	0	0	113.9
486	L	25.3	Very low	24.9	Very low	179 Å²	179	132.2 Å²	132.2	94%	0.937	78%	0.777	S	S	*	*			trans	78.2	160.4	178.2	-76	163.1	0	0	0	118.6
487	E	22.4	Very low	24.9	Very low	183 Å²	183	133.3 Å²	133.3	86%	0.855	78%	0.779	S	S	*	*			trans	-111.3	173.2	-166.2	-55.5	172.2	98.8	0	0	113
488	A	23.3	Very low	24.8	Very low	99 Å²	99	136.2 Å²	136.2	82%	0.818	78%	0.782	S	S	*	*			trans	81.9	174.2	143.3	0	0	0	0	0	120.4
489	A	23.2	Very low	24.9	Very low	95 Å²	95	134.4 Å²	134.4	79%	0.785	78%	0.783	S	S	*	*			trans	81.4	105.8	175.1	0	0	0	0	0	118.9
490	E	24.5	Very low	24.9	Very low	189 Å²	189	136.6 Å²	136.6	88%	0.883	79%	0.787	S	S	*	*			trans	-61.7	156.4	135.3	-50	-178	123	0	0	108.5
491	P	31.2	Very low	24.8	Very low	115 Å²	115	135.1 Å²	135.1	75%	0.747	78%	0.778	S	S	*	*				-152	174.8	88.8	39	-20.5	0	0	0	116.7
492	S	21.8	Very low	24.8	Very low	93 Å²	93	138.4 Å²	138.4	65%	0.65	77%	0.774	S	S	*	*			trans	-45.5	169.3	154.1	61.4	0	0	0	0	114.3
493	I	24.1	Very low	24.7	Very low	139 Å²	139	137.5 Å²	137.5	71%	0.713	78%	0.778	S	S	*	*			cis	-174.8	152	44.5	-152.3	154	0	0	0	114.6
494	L	23.6	Very low	24.5	Very low	123 Å²	123	140.4 Å²	140.4	64%	0.644	78%	0.782	S	S	*	*			trans	59.4	140.9	152.4	-80.7	164.2	0	0	0	124.6
495	K	24.4	Very low	25.4	Very low	191 Å²	191	142.3 Å²	142.3	83%	0.83	78%	0.779	S	S	*	*			trans	62.9	132.7	152.5	-63.2	155.7	-177.5	168.8	0	116
496	G	24.7	Very low	25.4	Very low	74 Å²	74	142.1 Å²	142.1	76%	0.763	77%	0.769	S	S	*	*			cis	164.9	173.8	11.7	0	0	0	0	0	106.4
497	K	25.5	Very low	25.3	Very low	193 Å²	193	139.7 Å²	139.7	84%	0.839	76%	0.762	S	S	*	*			cis	-168.3	164.6	26.6	-132	173.1	-174.5	168.5	0	107.9
498	K	24.8	Very low	25.5	Very low	173 Å²	173	139.9 Å²	139.9	75%	0.752	76%	0.763	S	S	*	*			trans	63.8	105.9	149.9	-81.9	-174.2	174.4	-172.7	0	119.3
499	T	25.3	Very low	25.6	Very low	121 Å²	121	139.6 Å²	139.6	74%	0.742	76%	0.761	S	S	*	*				79.2	147.1	104.7	57.2	0	0	0	0	116.8
500	K	26	Very low	25.8	Very low	176 Å²	176	140 Å²	140	77%	0.765	76%	0.764	S	S	*	*			cis	-151.5	162.4	12.5	-135.9	179.1	-176.4	-177.4	0	112
501	K	25.1	Very low	25.7	Very low	144 Å²	144	134.1 Å²	134.1	63%	0.626	75%	0.754	S	S	*	*			trans	-2.2	155.2	138.7	-64.8	177.1	157.4	-80.7	0	118.3
502	E	24.7	Very low	25.5	Very low	142 Å²	142	140 Å²	140	66%	0.664	76%	0.761	S	S	*	*			cis	-175.7	154.8	-7.7	-109	156.4	-179.6	0	0	107.8
503	S	25.2	Very low	25.6	Very low	121 Å²	121	146.8 Å²	146.8	85%	0.846	77%	0.773	S	S	*	*				169.9	139	122.3	44.2	0	0	0	0	113.7
504	R	22.4	Very low	25.7	Very low	238 Å²	238	145.9 Å²	145.9	90%	0.898	77%	0.774	S	S	*	*			trans	-109.6	-179.8	152	-68.2	178.2	171.4	-179.7	-3.5	105.7
505	P	42.8	Very low	25.7	Very low	125 Å²	125	150 Å²	150	81%	0.812	79%	0.787	S	S	*	*			cis	-123.6	-149.4	1.5	30.5	-4.1	0	0	0	109.7
506	A	22.6	Very low	25.7	Very low	71 Å²	71	144.4 Å²	144.4	59%	0.587	78%	0.783	S	S	*	*			cis	-162.7	156.7	10.6	0	0	0	0	0	113.8
507	T	23.9	Very low	25.9	Very low	129 Å²	129	146.3 Å²	146.3	79%	0.791	79%	0.785	S	S	*	*			trans	54.7	164.9	141.5	48.9	0	0	0	0	122.8
508	E	26.2	Very low	25.9	Very low	187 Å²	187	146.3 Å²	146.3	87%	0.874	79%	0.787	S	S	*	*			trans	72.1	145.9	170.5	-59.2	-160.2	152	0	0	117
509	A	25.3	Very low	25.9	Very low	93 Å²	93	148.8 Å²	148.8	77%	0.769	79%	0.792	S	S	*	*			cis	-155.3	-158.7	-20.5	0	0	0	0	0	110.1
510	A	26.8	Very low	26.1	Very low	103 Å²	103	147 Å²	147	85%	0.851	78%	0.784	S	S	*	*			trans	-49.2	159.9	-179.4	0	0	0	0	0	115.4
511	G	24.2	Very low	26.2	Very low	65 Å²	65	145 Å²	145	67%	0.67	78%	0.782	S	S	*	*			cis	124.3	145.9	8.6	0	0	0	0	0	112
512	R	26.1	Very low	26.2	Very low	238 Å²	238	144.6 Å²	144.6	90%	0.898	79%	0.791	S	S	*	*			trans	79.3	121.5	-170.6	-56.7	178.1	175	-174	-1.5	112.7
513	R	23.9	Very low	26.3	Very low	237 Å²	237	145.2 Å²	145.2	89%	0.894	80%	0.797	S	S	*	*				62.7	133.8	82.7	-62.8	178	174.6	-174.5	-1.2	111.6
514	T	26	Very low	27.2	Very low	120 Å²	120	144.8 Å²	144.8	74%	0.736	79%	0.791	S	S	*	*			cis	-157.9	151.6	43.6	45.6	0	0	0	0	116.6
515	K	24.8	Very low	27.4	Very low	210 Å²	210	142.4 Å²	142.4	91%	0.913	79%	0.788	S	S	*	*			trans	42.7	143.3	136.6	-62.1	-177.2	174.3	-175.6	0	123.1
516	G	24.3	Very low	26.7	Very low	73 Å²	73	144.1 Å²	144.1	75%	0.753	79%	0.789	S	S	*	*			trans	113.6	101.7	158.6	0	0	0	0	0	112.6
517	S	27.2	Very low	26.7	Very low	114 Å²	114	143.8 Å²	143.8	80%	0.797	79%	0.791	S	S	*	*			cis	64.8	96.7	41.5	179.2	0	0	0	0	114.8
518	H	26.8	Very low	27.8	Very low	193 Å²	193	143.7 Å²	143.7	89%	0.894	79%	0.793	S	S	*	*			trans	-150.6	143.4	146.6	-117.2	-81.3	0	0	0	115.2
519	R	25.1	Very low	27.6	Very low	225 Å²	225	142.2 Å²	142.2	85%	0.849	79%	0.791	S	S	*	*			trans	-71.9	169.7	165.9	-85	178	175.3	171.1	-4.1	111.6
520	S	28.6	Very low	27.6	Very low	82 Å²	82	143.1 Å²	143.1	57%	0.573	79%	0.786	S	S	*	*			cis	179.4	-165.9	-17.3	58.1	0	0	0	0	109.1
521	N	27.5	Very low	27.5	Very low	135 Å²	135	144.5 Å²	144.5	72%	0.722	78%	0.784	S	S	*	*			trans	88.6	155.4	165.4	-49.1	-18.5	0	0	0	115
522	V	25.1	Very low	27.6	Very low	136 Å²	136	146.8 Å²	146.8	82%	0.824	79%	0.79	S	S	*	*			cis	-127.3	151.3	20.2	174.8	0	0	0	0	113
523	I	27	Very low	27.5	Very low	155 Å²	155	146.8 Å²	146.8	80%	0.795	79%	0.79	S	S	*	*			trans	-140	122	-171.8	-60.9	160.1	0	0	0	111.6
524	P	45.5	Very low	28	Very low	111 Å²	111	141.1 Å²	141.1	72%	0.721	78%	0.784	S	S	*	*			trans	-143.3	-168.7	130	44.2	-30.8	0	0	0	109.9
525	K	26.6	Very low	27.9	Very low	189 Å²	189	140.6 Å²	140.6	82%	0.822	79%	0.785	S	S	*	*			cis	-159.9	145.5	-7	-136.7	170.6	-176.4	176.7	0	104.8
526	I	27.3	Very low	28.1	Very low	161 Å²	161	138.9 Å²	138.9	83%	0.826	78%	0.78	S	S	*	*				179.6	158.4	78.1	-72.2	-169.9	0	0	0	106.6
527	G	22.2	Very low	28.5	Very low	63 Å²	63	140.5 Å²	140.5	65%	0.649	78%	0.777	S	S	*	*			trans	-130.4	-154	167.6	0	0	0	0	0	111.3
528	P	46.6	Very low	28.4	Very low	128 Å²	128	140.6 Å²	140.6	83%	0.831	77%	0.773	S	S	*	*			cis	-133.6	-164.5	-5.4	43.4	-25.6	0	0	0	113.5
529	L	23.4	Very low	28.4	Very low	156 Å²	156	137.4 Å²	137.4	82%	0.817	76%	0.763	S	S	*	*				163.6	106	129.2	-169.8	70.3	0	0	0	116.4
530	V	25.5	Very low	28.4	Very low	112 Å²	112	131.6 Å²	131.6	68%	0.679	75%	0.752	S	S	*	*			trans	41.6	142.4	133.5	-175.6	0	0	0	0	124.9
531	T	24.2	Very low	28.3	Very low	132 Å²	132	138.1 Å²	138.1	81%	0.81	77%	0.765	S	S	*	*			trans	71.2	146.4	162.8	37.1	0	0	0	0	120.6
532	S	25.2	Very low	28.1	Very low	113 Å²	113	138.3 Å²	138.3	79%	0.79	77%	0.765	S	S	*	*			cis	-151.5	175.7	-4.5	60	0	0	0	0	112.9
533	R	24.7	Very low	28	Very low	238 Å²	238	137.9 Å²	137.9	90%	0.898	77%	0.768	S	S	*	*			trans	-136.1	148.6	177.2	-114.5	-174.1	-177.7	-177.8	1.3	109.1
534	P	34.4	Very low	27.8	Very low	118 Å²	118	137.1 Å²	137.1	77%	0.766	77%	0.77	S	S	*	*				-150.4	176.4	104.7	34.1	-14.6	0	0	0	113.2
535	S	23.4	Very low	26.9	Very low	109 Å²	109	137 Å²	137	76%	0.762	77%	0.772	S	S	*	*			cis	-164.1	153.5	-19.8	44.5	0	0	0	0	110
536	H	30.4	Very low	26.9	Very low	174 Å²	174	136.5 Å²	136.5	81%	0.806	77%	0.773	S	S	*	*			trans	-85.6	162.8	163.8	-88.2	-73.3	0	0	0	111.5
537	P	32.2	Very low	27.2	Very low	107 Å²	107	133.4 Å²	133.4	70%	0.695	76%	0.763	S	S	*	*				-105.7	152.2	106.9	-17.1	34.5	0	0	0	112
538	T	24.7	Very low	27.4	Very low	115 Å²	115	135.9 Å²	135.9	71%	0.706	77%	0.766	S	S	*	*			cis	62.5	136.2	38	65.6	0	0	0	0	113.5
539	N	26.5	Very low	26.5	Very low	127 Å²	127	137.5 Å²	137.5	68%	0.679	76%	0.762	S	S	*	*			cis	-157.1	177.8	4.2	-129.1	-1.6	0	0	0	109
540	T	24.7	Very low	27.3	Very low	103 Å²	103	135.5 Å²	135.5	63%	0.632	76%	0.758	S	S	*	*			cis	-157.9	132.5	10.3	-10.9	0	0	0	0	112.1
541	W	27	Very low	27.2	Very low	219 Å²	219	133.6 Å²	133.6	83%	0.83	76%	0.761	S	S	*	*			trans	66.4	153.8	130.2	-81.4	44.6	0	0	0	126
542	L	24.6	Very low	27.3	Very low	139 Å²	139	136.5 Å²	136.5	73%	0.728	77%	0.766	S	S	*	*			trans	73.7	105.6	156.3	-76.7	160.9	0	0	0	120.8
543	S	21.6	Very low	27.4	Very low	126 Å²	126	139.7 Å²	139.7	88%	0.881	77%	0.765	S	S	*	*			trans	-127.5	124	149.4	-53.7	0	0	0	0	108.2
544	T	23.3	Very low	27.5	Very low	139 Å²	139	137.4 Å²	137.4	85%	0.853	76%	0.762	S	S	*	*			trans	-92	144	173.1	32.1	0	0	0	0	111.2
545	S	25.8	Very low	27.1	Very low	108 Å²	108	139.1 Å²	139.1	76%	0.755	77%	0.765	S	S	*	*			trans	-102.6	144.3	175.3	54.5	0	0	0	0	111.4
546	E	26.6	Very low	27.6	Very low	180 Å²	180	141.1 Å²	141.1	84%	0.841	77%	0.766	S	S	*	*			trans	-171.4	156.8	144.2	-95.1	-70.8	102.2	0	0	107.7
547	P	34.1	Very low	28	Very low	96 Å²	96	140.8 Å²	140.8	62%	0.623	77%	0.77	S	S	*	*			trans	-141.8	-174.7	-147.1	36.6	-13.5	0	0	0	118.9
548	V	26.6	Very low	27.8	Very low	115 Å²	115	148 Å²	148	70%	0.697	78%	0.783	S	S	*	*			trans	81.4	148.3	155.8	-133.2	0	0	0	0	121.7
549	Q	27.9	Very low	28.1	Very low	162 Å²	162	147.1 Å²	147.1	76%	0.757	78%	0.782	S	S	*	*			trans	89.3	148.6	160.9	-59.6	-50.7	-16	0	0	118.6
550	P	39.2	Very low	28.4	Very low	114 Å²	114	148 Å²	148	74%	0.74	79%	0.787	S	S	*	*			trans	-137.8	165.9	-132.8	41.6	-22.9	0	0	0	117.1
551	G	24.4	Very low	28.7	Very low	71 Å²	71	154.5 Å²	154.5	73%	0.732	80%	0.799	S	S	*	*			trans	109.1	120.9	153.6	0	0	0	0	0	114.4
552	E	27.1	Very low	29.1	Very low	194 Å²	194	152.1 Å²	152.1	91%	0.907	80%	0.803	S	S	*	*			trans	-158.1	-174.9	137.2	-117.3	172.4	-170.1	0	0	110.5
553	K	26.1	Very low	29.8	Very low	179 Å²	179	154.4 Å²	154.4	78%	0.778	81%	0.81	S	S	*	*			trans	-77.3	152.2	-159	-64.1	164.9	-175.5	162.2	0	114.1	D555	K553-D555 PolarHBondContact O-N 3.02Å
554	F	27.4	Very low	30.6	Very low	190 Å²	190	152.3 Å²	152.3	83%	0.833	80%	0.8	S	S	*	*			trans	-75.9	91.9	161.2	-86	-94.8	0	0	0	110.6	L556	F554-L556 VanDerWaalsContact C-N 3.3Å; F554-L556 PolarHBondContact O-N 2.96Å
555	D	24.8	Very low	31.9	Very low	155 Å²	155	147.6 Å²	147.6	83%	0.829	77%	0.772	S	S	*	*			trans	-78.3	81	165	-84.2	-17.8	0	0	0	110.5	K553 L557	K553-D555 PolarHBondContact O-N 3.02Å; D555-L557 PolarHBondContact O-N 3.3Å; D555-L557 VanDerWaalsContact O-N 3.15Å
556	L	35.3	Very low	33	Very low	151 Å²	151	146 Å²	146	79%	0.791	76%	0.759	S	S	*	*			trans	-77.5	83	169.5	-74.1	170.5	0	0	0	110.6	F554	F554-L556 VanDerWaalsContact C-N 3.3Å; F554-L556 PolarHBondContact O-N 2.96Å
557	L	39.3	Very low	34.3	Very low	167 Å²	167	144.2 Å²	144.2	87%	0.874	75%	0.753	S	S	*	*			trans	-165.3	76.6	163.4	-112.5	171.1	0	0	0	115.7	D555	D555-L557 PolarHBondContact O-N 3.3Å; D555-L557 VanDerWaalsContact O-N 3.15Å
558	R	26.4	Very low	35.6	Very low	257 Å²	257	141.2 Å²	141.2	97%	0.97	73%	0.732	S	S	*	*			trans	-159.1	159.3	142.3	-121.4	170.8	176.2	156.5	0.1	111.6
559	S	31.6	Very low	37.2	Very low	98 Å²	98	140.8 Å²	140.8	69%	0.685	73%	0.734	S	S	*	*			trans	-138.5	-177.8	-150.4	-145.2	0	0	0	0	115.1
560	D	32.4	Very low	39.1	Very low	146 Å²	146	135.3 Å²	135.3	78%	0.781	71%	0.71	S	S	*	*			trans	71	108.7	159.2	-50	-41.2	0	0	0	119.8
561	R	32.1	Very low	40.8	Very low	239 Å²	239	130.6 Å²	130.6	90%	0.902	68%	0.68	S	S	*	*			trans	-147.1	97.1	143.7	-74.8	-159.3	173.5	-172.8	-3.4	111.2	E563	R561-E563 PolarHBondContact O-N 3.32Å
562	D	35.5	Very low	43.2	Very low	169 Å²	169	128.2 Å²	128.2	90%	0.904	65%	0.651	S	S	*	*			trans	35.6	73	152.2	-52.1	-28.9	0	0	0	118.5
563	E	37.7	Very low	45.5	Very low	187 Å²	187	121.4 Å²	121.4	87%	0.874	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-82.1	147.9	159.1	-70.5	-174.9	145.9	0	0	111.2	R561	R561-E563 PolarHBondContact O-N 3.32Å
564	A	40	Very low	48	Very low	81 Å²	81	112.9 Å²	112.9	67%	0.669	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-68.2	130	171.3	0	0	0	0	0	109.9
565	P	49.1	Very low	50.4	Low	40 Å²	40	103.9 Å²	103.9	26%	0.26	55%	0.546	S	S	.	.	P	Polyproline II helix	trans	-70.2	132.9	-165	26.2	-34.9	0	0	0	112.2	D600 H602	P565-D600 WeakPolarHBondContact CB-O 3.33Å; P565-H602 WeakPolarHBondContact O-CB 3.28Å; P565-H602 PolarHBondContact O-CD2 3.04Å
566	P	49.3	Very low	52.8	Low	76 Å²	76	102.8 Å²	102.8	49%	0.494	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-61.2	153.9	-171	-23.9	31.8	0	0	0	115.1	F578 H602	P566-F578 HydrophobicContact CB-CZ 4.04Å; P566-F578 HydrophobicContact CG-CZ 3.99Å; P566-H602 PolarHBondContact O-N 3.02Å; P566-H602 VanDerWaalsContact O-N 3.16Å
567	I	54.6	Low	54.6	Low	141 Å²	141	99.9 Å²	99.9	72%	0.723	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-81.9	123.3	172.2	-58.5	176.4	0	0	0	108.8	H602	I567-H602 HydrophobicContact CG1-CB 4.19Å
568	I	60.5	Low	56.5	Low	33 Å²	33	92.5 Å²	92.5	17%	0.169	47%	0.474	C	S	.	.	P	Polyproline II helix	trans	-103.4	128	-173.9	-53.5	-175.2	0	0	0	110.8	F574 F578 H601 V662	I568-F574 HydrophobicContact CD1-CD2 3.56Å; I568-F574 HydrophobicContact CD1-CE2 4.15Å; I568-F574 HydrophobicContact CG2-CB 3.97Å; I568-F574 HydrophobicContact CG2-CD2 4.22Å; I568-F578 HydrophobicContact CD1-CD1 3.83Å; I568-F578 HydrophobicContact CD1-CD2 3.59Å; I568-F578 HydrophobicContact CD1-CE1 3.72Å; I568-F578 HydrophobicContact CD1-CE2 3.45Å; I568-F578 VanDerWaalsContact CD1-CE2 3.45Å; I568-F578 HydrophobicContact CD1-CG 3.78Å; I568-F578 HydrophobicContact CD1-CZ 3.53Å; I568-F578 HydrophobicContact CG1-CE1 4.43Å; I568-F578 HydrophobicContact CG1-CE2 3.96Å; I568-F578 HydrophobicContact CG1-CZ 3.91Å; I568-H601 HydrophobicContact CD1-CB 3.47Å; I568-H601 VanDerWaalsContact CD1-CB 3.47Å; I568-H601 HydrophobicContact CG1-CB 4.18Å; I568-V662 HydrophobicContact CG2-CG2 4.47Å
569	S	60.2	Low	59.2	Low	107 Å²	107	80.4 Å²	80.4	75%	0.748	43%	0.428	S	S	*	.			trans	-129.7	-1.6	177.1	57.2	0	0	0	0	114.1
570	D	68.4	Low	61.6	Low	46 Å²	46	77.3 Å²	77.3	25%	0.246	41%	0.405	C	S	.	.			trans	-137.4	126.3	-172.6	-176.1	-54.3	0	0	0	110.2	C572 V573 F574	D570-C572 PolarHBondContact O-N 2.93Å; D570-C572 WeakPolarHBondContact OD1-CA 3.15Å; D570-C572 VanDerWaalsContact OD1-CB 3.23Å; D570-C572 WeakPolarHBondContact OD1-CB 3.46Å; D570-C572 PolarHBondContact OD1-N 2.9Å; D570-V573 HydrophobicContact CB-CB 4.11Å; D570-V573 HydrophobicContact CB-CG2 3.86Å; D570-V573 PolarHBondContact O-N 2.94Å; D570-V573 PolarHBondContact OD1-N 3.47Å; D570-F574 PolarHBondContact O-N 3.18Å
571	P	74.5	Confident	64.1	Low	16 Å²	16	76.2 Å²	76.2	10%	0.104	40%	0.4	C	S	.	.	H	α-helix	trans	-72.8	-22.2	-177.8	30	-35.5	0	0	0	113.9	N575 V662 F665 C667	P571-N575 PolarHBondContact O-N 2.9Å; P571-N575 PolarHBondContact O-OD1 3.14Å; P571-V662 HydrophobicContact CB-CB 4.18Å; P571-V662 HydrophobicContact CB-CG2 3.97Å; P571-F665 HydrophobicContact CG-CB 4.36Å; P571-C667 HydrophobicContact CB-CB 4.45Å
572	C	76	Confident	66.7	Low	20 Å²	20	66.2 Å²	66.2	14%	0.135	37%	0.365	C	S	.	.	H	α-helix	trans	-72.3	-40.1	172.5	-61.3	0	0	0	0	111	Y90 D570 N575 R576 C667	Y90-C572 HydrophobicContact CE2-CB 4.36Å; D570-C572 PolarHBondContact O-N 2.93Å; D570-C572 WeakPolarHBondContact OD1-CA 3.15Å; D570-C572 VanDerWaalsContact OD1-CB 3.23Å; D570-C572 WeakPolarHBondContact OD1-CB 3.46Å; D570-C572 PolarHBondContact OD1-N 2.9Å; C572-N575 PolarHBondContact O-N 3.4Å; C572-R576 WeakPolarHBondContact O-CB 3.24Å; C572-R576 PolarHBondContact O-N 3.06Å; C572-C667 WeakPolarHBondContact CA-SG 3.1Å; C572-C667 HydrophobicContact CB-CB 3.93Å; C572-C667 WeakPolarHBondContact CB-SG 3.28Å; C572-C667 WeakPolarHBondContact SG-CA 3.25Å; C572-C667 WeakPolarHBondContact SG-CB 3.48Å; C572-C667 CovalentContact SG-SG 2.03Å; C572-C667 PolarHBondContact SG-SG 2.93Å
573	V	73.9	Confident	69.2	Low	51 Å²	51	60.9 Å²	60.9	31%	0.309	34%	0.341	S	S	.	.	H	α-helix	trans	-67.2	-40.5	172.7	-177.4	0	0	0	0	110.9	D570 N575 R576 H577	D570-V573 HydrophobicContact CB-CB 4.11Å; D570-V573 HydrophobicContact CB-CG2 3.86Å; D570-V573 PolarHBondContact O-N 2.94Å; D570-V573 PolarHBondContact OD1-N 3.47Å; V573-N575 PolarHBondContact O-N 3.29Å; V573-R576 PolarHBondContact O-N 2.88Å; V573-H577 PolarHBondContact O-N 3.03Å
574	F	78.1	Confident	71.6	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-53.6	-54.3	171.7	-178.4	-89.1	0	0	0	111	I568 D570 R576 F578 I579 V615 Y617 V662	I568-F574 HydrophobicContact CD1-CD2 3.56Å; I568-F574 HydrophobicContact CD1-CE2 4.15Å; I568-F574 HydrophobicContact CG2-CB 3.97Å; I568-F574 HydrophobicContact CG2-CD2 4.22Å; D570-F574 PolarHBondContact O-N 3.18Å; F574-R576 PolarHBondContact O-N 2.74Å; F574-F578 HydrophobicContact CD2-CB 4.21Å; F574-F578 HydrophobicContact CD2-CD2 4.48Å; F574-F578 HydrophobicContact CD2-CG 4.4Å; F574-F578 HydrophobicContact CE2-CB 3.99Å; F574-F578 HydrophobicContact CE2-CG 4.47Å; F574-F578 HydrophobicContact CZ-CB 4.24Å; F574-F578 WeakPolarHBondContact O-CB 3.44Å; F574-F578 WeakPolarHBondContact O-CD2 3.43Å; F574-F578 PolarHBondContact O-N 3.38Å; F574-I579 HydrophobicContact CD1-CD1 4.24Å; F574-I579 HydrophobicContact CD1-CG1 4.15Å; F574-I579 HydrophobicContact CE1-CD1 3.93Å; F574-I579 HydrophobicContact CE1-CG1 3.64Å; F574-I579 HydrophobicContact CZ-CG1 4.5Å; F574-V615 HydrophobicContact CD1-CG1 4.42Å; F574-V615 HydrophobicContact CD2-CG1 4.11Å; F574-V615 HydrophobicContact CE1-CG1 4.01Å; F574-V615 HydrophobicContact CE2-CG1 3.71Å; F574-V615 HydrophobicContact CE2-CG2 4.38Å; F574-V615 HydrophobicContact CG-CG1 4.48Å; F574-V615 HydrophobicContact CZ-CG1 3.67Å; F574-Y617 AromaticContact CE1-CE1 3.84Å; F574-Y617 HydrophobicContact CE1-CE1 3.84Å; F574-Y617 AromaticContact CZ-CE1 3.93Å; F574-Y617 HydrophobicContact CZ-CE1 3.93Å; F574-V662 HydrophobicContact CB-CG2 3.78Å; F574-V662 HydrophobicContact CD2-CG2 4.29Å; F574-V662 HydrophobicContact CG-CG2 3.98Å
575	N	78.9	Confident	73.7	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-57.2	-56.1	-179.4	-68.9	-8.5	0	0	0	110.9	P571 C572 V573 H577 I579 G660 P671 H674	P571-N575 PolarHBondContact O-N 2.9Å; P571-N575 PolarHBondContact O-OD1 3.14Å; C572-N575 PolarHBondContact O-N 3.4Å; V573-N575 PolarHBondContact O-N 3.29Å; N575-H577 PolarHBondContact O-N 3.19Å; N575-H577 VanDerWaalsContact O-N 3.15Å; N575-I579 HydrophobicContact CB-CD1 4.45Å; N575-I579 WeakPolarHBondContact OD1-CD1 3.42Å; N575-G660 WeakPolarHBondContact OD1-CA 3.5Å; N575-G660 PolarHBondContact OD1-N 2.99Å; N575-P671 HydrophobicContact CB-CG 3.58Å; N575-H674 VanDerWaalsContact C-CE1 3.48Å; N575-H674 PolarHBondContact O-CE1 2.88Å; N575-H674 PolarHBondContact O-NE2 2.95Å
576	R	75.4	Confident	75.2	Confident	133 Å²	133	57.3 Å²	57.3	50%	0.502	31%	0.312	S	S	.	.	H	α-helix	trans	-61	-26.1	-171	-166.1	-174.7	176.3	-158.5	-2.2	114.8	C572 V573 F574	C572-R576 WeakPolarHBondContact O-CB 3.24Å; C572-R576 PolarHBondContact O-N 3.06Å; V573-R576 PolarHBondContact O-N 2.88Å; F574-R576 PolarHBondContact O-N 2.74Å
577	H	73.4	Confident	76.8	Confident	89 Å²	89	55.9 Å²	55.9	41%	0.412	30%	0.302	S	S	.	.	H	α-helix	trans	-124.4	-13.9	-169.5	-63.7	-31	0	0	0	115.1	V573 N575 R599	V573-H577 PolarHBondContact O-N 3.03Å; N575-H577 PolarHBondContact O-N 3.19Å; N575-H577 VanDerWaalsContact O-N 3.15Å; H577-R599 WeakPolarHBondContact O-CD 3.44Å
578	F	78.4	Confident	78.3	Confident	12 Å²	12	51.6 Å²	51.6	5%	0.053	28%	0.283	C	S	.	.	H	α-helix	trans	-115.4	-39.3	-175.9	-59.8	-94.1	0	0	0	112.8	P566 I568 F574 S598 R599 H601	P566-F578 HydrophobicContact CB-CZ 4.04Å; P566-F578 HydrophobicContact CG-CZ 3.99Å; I568-F578 HydrophobicContact CD1-CD1 3.83Å; I568-F578 HydrophobicContact CD1-CD2 3.59Å; I568-F578 HydrophobicContact CD1-CE1 3.72Å; I568-F578 HydrophobicContact CD1-CE2 3.45Å; I568-F578 VanDerWaalsContact CD1-CE2 3.45Å; I568-F578 HydrophobicContact CD1-CG 3.78Å; I568-F578 HydrophobicContact CD1-CZ 3.53Å; I568-F578 HydrophobicContact CG1-CE1 4.43Å; I568-F578 HydrophobicContact CG1-CE2 3.96Å; I568-F578 HydrophobicContact CG1-CZ 3.91Å; F574-F578 HydrophobicContact CD2-CB 4.21Å; F574-F578 HydrophobicContact CD2-CD2 4.48Å; F574-F578 HydrophobicContact CD2-CG 4.4Å; F574-F578 HydrophobicContact CE2-CB 3.99Å; F574-F578 HydrophobicContact CE2-CG 4.47Å; F574-F578 HydrophobicContact CZ-CB 4.24Å; F574-F578 WeakPolarHBondContact O-CB 3.44Å; F574-F578 WeakPolarHBondContact O-CD2 3.43Å; F574-F578 PolarHBondContact O-N 3.38Å; F578-S598 CarbonylContact O-C 3.49Å; F578-S598 VanDerWaalsContact O-CA 3.27Å; F578-S598 WeakPolarHBondContact O-CA 3.38Å; F578-R599 HydrophobicContact CD1-CB 4Å; F578-R599 PolarHBondContact O-N 2.64Å; F578-H601 HydrophobicContact CD1-CB 3.86Å; F578-H601 HydrophobicContact CE1-CB 3.77Å
579	I	83.8	Confident	79.4	Confident	3 Å²	3	51 Å²	51	2%	0.015	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	132	172.8	-55.7	-179.2	0	0	0	109.1	F574 N575 V582 Y617 V658 H674	F574-I579 HydrophobicContact CD1-CD1 4.24Å; F574-I579 HydrophobicContact CD1-CG1 4.15Å; F574-I579 HydrophobicContact CE1-CD1 3.93Å; F574-I579 HydrophobicContact CE1-CG1 3.64Å; F574-I579 HydrophobicContact CZ-CG1 4.5Å; N575-I579 HydrophobicContact CB-CD1 4.45Å; N575-I579 WeakPolarHBondContact OD1-CD1 3.42Å; I579-V582 HydrophobicContact CG2-CG2 3.87Å; I579-Y617 HydrophobicContact CD1-CD1 4.48Å; I579-Y617 HydrophobicContact CG1-CE1 4.43Å; I579-V658 HydrophobicContact CD1-CG1 4.43Å; I579-H674 HydrophobicContact CG2-CB 4.18Å; I579-H674 PolarHBondContact O-NE2 3.26Å
580	T	82.1	Confident	80.5	Confident	34 Å²	34	48.4 Å²	48.4	21%	0.209	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	161.5	-176.7	42.9	0	0	0	0	110.5	V582 T597 R599	T580-V582 VanDerWaalsContact C-N 3.3Å; T580-V582 PolarHBondContact O-N 2.71Å; T580-V582 VanDerWaalsContact O-N 3.16Å; T580-T597 PolarHBondContact N-O 3.49Å; T580-T597 PolarHBondContact O-N 2.97Å; T580-T597 VanDerWaalsContact O-O 3.09Å; T580-T597 PolarHBondContact O-OG1 2.93Å; T580-T597 VanDerWaalsContact O-OG1 3.12Å; T580-T597 PolarHBondContact OG1-O 2.88Å; T580-T597 PolarHBondContact OG1-OG1 2.81Å; T580-R599 HydrophobicContact CG2-CG 4.47Å
581	N	85	Confident	81.4	Confident	123 Å²	123	48.1 Å²	48.1	66%	0.658	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	47.3	44.7	173.9	-56.8	-19.2	0	0	0	114.9	S583	N581-S583 PolarHBondContact O-N 3.09Å; N581-S583 PolarHBondContact O-OG 2.93Å
582	V	86.1	Confident	82.2	Confident	29 Å²	29	47.3 Å²	47.3	18%	0.176	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	121.9	170.4	-178.5	0	0	0	0	108.6	I579 T580 Y595 W596 V658 H674 A676	I579-V582 HydrophobicContact CG2-CG2 3.87Å; T580-V582 VanDerWaalsContact C-N 3.3Å; T580-V582 PolarHBondContact O-N 2.71Å; T580-V582 VanDerWaalsContact O-N 3.16Å; V582-Y595 WeakPolarHBondContact CA-O 3.27Å; V582-W596 HydrophobicContact CG2-CB 4.05Å; V582-V658 HydrophobicContact CG1-CG2 3.89Å; V582-V658 HydrophobicContact CG2-CB 4.21Å; V582-V658 HydrophobicContact CG2-CG2 4.15Å; V582-H674 HydrophobicContact CG2-CB 3.91Å; V582-A676 HydrophobicContact CG1-CB 4.49Å
583	S	88.3	Confident	82.9	Confident	57 Å²	57	46.5 Å²	46.5	40%	0.399	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	162.7	-174.7	47.3	0	0	0	0	110.5	N581 Y595	N581-S583 PolarHBondContact O-N 3.09Å; N581-S583 PolarHBondContact O-OG 2.93Å; S583-Y595 PolarHBondContact N-O 2.81Å; S583-Y595 PolarHBondContact O-N 3.44Å
584	V	88	Confident	83.7	Confident	40 Å²	40	44.1 Å²	44.1	24%	0.242	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	127.3	-173.2	-177.2	0	0	0	0	108.2	V587 V592 A676 L678	V584-V587 HydrophobicContact CG1-CG2 4.18Å; V584-V592 HydrophobicContact CG1-CG2 3.26Å; V584-A676 HydrophobicContact CG2-CB 3.56Å; V584-L678 HydrophobicContact CG1-CB 4.07Å; V584-L678 HydrophobicContact CG1-CD2 3.84Å
585	D	82.6	Confident	84.2	Confident	91 Å²	91	47.8 Å²	47.8	49%	0.487	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	170.7	-177.6	-178.1	32.1	0	0	0	109.9	V587 V592 T593 Y595	D585-V587 VanDerWaalsContact C-N 3.26Å; D585-V587 PolarHBondContact O-N 2.81Å; D585-V592 WeakPolarHBondContact O-CG2 3.29Å; D585-T593 PolarHBondContact N-O 3.19Å; D585-T593 PolarHBondContact O-N 2.97Å; D585-Y595 HydrophobicContact CB-CD2 4.21Å; D585-Y595 HydrophobicContact CB-CE2 3.99Å
586	Q	81.4	Confident	84.8	Confident	102 Å²	102	48 Å²	48	48%	0.477	25%	0.253	S	S	.	.			trans	56.7	39.5	179.3	-55.7	170.9	0.7	0	0	112.5	T588 T593 Y595	Q586-T588 PolarHBondContact O-N 2.92Å; Q586-T593 PolarHBondContact OE1-OG1 3.37Å; Q586-Y595 PolarHBondContact NE2-OH 3.37Å
587	V	83.9	Confident	85.4	Confident	45 Å²	45	44.2 Å²	44.2	27%	0.273	25%	0.245	S	C	.	.			trans	-69.2	117.8	177.4	-163	0	0	0	0	109.6	V584 D585 V592 L678 V679 L681	V584-V587 HydrophobicContact CG1-CG2 4.18Å; D585-V587 VanDerWaalsContact C-N 3.26Å; D585-V587 PolarHBondContact O-N 2.81Å; V587-V592 HydrophobicContact CB-CG2 4.1Å; V587-V592 HydrophobicContact CG1-CG2 4.17Å; V587-V592 HydrophobicContact CG2-CG2 3.71Å; V587-L678 HydrophobicContact CG1-CD1 4.3Å; V587-V679 WeakPolarHBondContact CG1-O 3.22Å; V587-L681 WeakPolarHBondContact O-CD1 3.41Å
588	T	84.9	Confident	85.9	Confident	52 Å²	52	41.6 Å²	41.6	32%	0.319	24%	0.236	S	C	.	.			trans	-114	-163.3	175	76.5	0	0	0	0	110.5	Q586 S590 T591 L681	Q586-T588 PolarHBondContact O-N 2.92Å; T588-S590 PolarHBondContact OG1-N 3.22Å; T588-T591 WeakPolarHBondContact CG2-OG1 3.47Å; T588-T591 PolarHBondContact N-O 2.91Å; T588-T591 PolarHBondContact OG1-N 2.85Å; T588-T591 PolarHBondContact OG1-O 2.67Å; T588-T591 PolarHBondContact OG1-OG1 3.08Å; T588-L681 PolarHBondContact O-N 3.15Å
589	S	83.9	Confident	85.9	Confident	21 Å²	21	48.6 Å²	48.6	15%	0.147	26%	0.262	C	S	.	.	S	Bend	trans	-73.3	-28.8	171.5	50.7	0	0	0	0	113.7	T649 S650 L681	S589-T649 CarbonylContact O-C 3.38Å; S589-S650 VanDerWaalsContact O-CA 3.22Å; S589-S650 WeakPolarHBondContact O-CA 3.47Å; S589-S650 PolarHBondContact O-N 3.32Å; S589-L681 VanDerWaalsContact CA-O 3.24Å; S589-L681 WeakPolarHBondContact CA-O 3.39Å; S589-L681 WeakPolarHBondContact CB-O 3.33Å
590	S	83.2	Confident	85.2	Confident	52 Å²	52	55.3 Å²	55.3	36%	0.364	30%	0.298	S	S	.	.	S	Bend	trans	-134.8	-7	-171.4	62.2	0	0	0	0	115	T588 R646 E647 L648	T588-S590 PolarHBondContact OG1-N 3.22Å; S590-R646 CarbonylContact O-C 3.58Å; S590-R646 WeakPolarHBondContact O-CA 3.44Å; S590-E647 PolarHBondContact O-N 2.9Å; S590-L648 WeakPolarHBondContact CA-O 3.36Å; S590-L648 PolarHBondContact O-N 3.2Å
591	T	88.2	Confident	84.5	Confident	39 Å²	39	55.8 Å²	55.8	24%	0.239	30%	0.298	C	S	.	.			trans	-134.2	156.9	179.5	69	0	0	0	0	111.9	T588 L645 R646	T588-T591 WeakPolarHBondContact CG2-OG1 3.47Å; T588-T591 PolarHBondContact N-O 2.91Å; T588-T591 PolarHBondContact OG1-N 2.85Å; T588-T591 PolarHBondContact OG1-O 2.67Å; T588-T591 PolarHBondContact OG1-OG1 3.08Å; T591-L645 VanDerWaalsContact CA-O 3.23Å; T591-L645 WeakPolarHBondContact CA-O 3.42Å; T591-L645 WeakPolarHBondContact CB-O 3.45Å; T591-R646 HydrophobicContact CG2-CB 4.45Å; T591-R646 HydrophobicContact CG2-CG 4.11Å
592	V	90.4	Very high	83	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	143.2	168.8	69.1	0	0	0	0	111	V584 D585 V587 T644 L645 L648 L678	V584-V592 HydrophobicContact CG1-CG2 3.26Å; D585-V592 WeakPolarHBondContact O-CG2 3.29Å; V587-V592 HydrophobicContact CB-CG2 4.1Å; V587-V592 HydrophobicContact CG1-CG2 4.17Å; V587-V592 HydrophobicContact CG2-CG2 3.71Å; V592-T644 CarbonylContact O-C 3.58Å; V592-T644 VanDerWaalsContact O-CA 3.3Å; V592-T644 WeakPolarHBondContact O-CA 3.45Å; V592-L645 HydrophobicContact CG1-CB 4.1Å; V592-L645 HydrophobicContact CG1-CD1 4.16Å; V592-L645 HydrophobicContact CG1-CG 4.43Å; V592-L645 PolarHBondContact N-O 3.42Å; V592-L645 VanDerWaalsContact N-O 3.08Å; V592-L645 PolarHBondContact O-N 3.03Å; V592-L648 HydrophobicContact CB-CD1 4.17Å; V592-L648 HydrophobicContact CG1-CD1 3.54Å; V592-L678 HydrophobicContact CG1-CD2 3.85Å; V592-L678 HydrophobicContact CG2-CD2 4.21Å
593	T	90.2	Very high	81.4	Confident	3 Å²	3	62.8 Å²	62.8	2%	0.018	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	120.4	177.3	-53	0	0	0	0	110.8	D585 Q586 Y595 T644	D585-T593 PolarHBondContact N-O 3.19Å; D585-T593 PolarHBondContact O-N 2.97Å; Q586-T593 PolarHBondContact OE1-OG1 3.37Å; T593-Y595 HydrophobicContact CG2-CD2 4.02Å; T593-Y595 HydrophobicContact CG2-CE1 4.34Å; T593-Y595 HydrophobicContact CG2-CE2 3.35Å; T593-T644 PolarHBondContact OG1-OG1 2.93Å
594	V	90.6	Very high	79	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	131	177.7	-171.7	0	0	0	0	107.5	I619 S642 V643 L645 V656 V658	V594-I619 HydrophobicContact CG2-CG2 4.48Å; V594-S642 CarbonylContact O-C 3.56Å; V594-S642 WeakPolarHBondContact O-CA 3.41Å; V594-S642 WeakPolarHBondContact O-CB 3.39Å; V594-V643 PolarHBondContact N-O 3.17Å; V594-V643 PolarHBondContact O-N 2.89Å; V594-L645 HydrophobicContact CG2-CD1 4.06Å; V594-L645 HydrophobicContact CG2-CG 4.19Å; V594-V656 HydrophobicContact CG1-CG1 4.2Å; V594-V656 HydrophobicContact CG2-CG1 3.81Å; V594-V658 HydrophobicContact CG1-CG2 4.1Å
595	Y	90.3	Very high	76.2	Confident	77 Å²	77	70.6 Å²	70.6	30%	0.302	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	146.8	179.3	-70.1	-91.5	0	0	0	110.4	V582 S583 D585 Q586 T593 R641 S642	V582-Y595 WeakPolarHBondContact CA-O 3.27Å; S583-Y595 PolarHBondContact N-O 2.81Å; S583-Y595 PolarHBondContact O-N 3.44Å; D585-Y595 HydrophobicContact CB-CD2 4.21Å; D585-Y595 HydrophobicContact CB-CE2 3.99Å; Q586-Y595 PolarHBondContact NE2-OH 3.37Å; T593-Y595 HydrophobicContact CG2-CD2 4.02Å; T593-Y595 HydrophobicContact CG2-CE1 4.34Å; T593-Y595 HydrophobicContact CG2-CE2 3.35Å; Y595-R641 WeakPolarHBondContact CA-O 3.24Å; Y595-S642 VanDerWaalsContact CD1-CB 3.49Å
596	W	91.1	Very high	74	Confident	6 Å²	6	71.7 Å²	71.7	2%	0.023	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	156.2	172.3	66	96.6	0	0	0	111.4	V582 Y617 I619 A636 S640 R641 V643 V658	V582-W596 HydrophobicContact CG2-CB 4.05Å; W596-Y617 AromaticContact CE2-CG 3.91Å; W596-Y617 HydrophobicContact CZ2-CD1 4.5Å; W596-Y617 AromaticContact CZ2-CD2 3.72Å; W596-Y617 HydrophobicContact CZ2-CD2 3.72Å; W596-Y617 HydrophobicContact CZ2-CE2 4.42Å; W596-Y617 AromaticContact CZ2-CG 3.78Å; W596-Y617 HydrophobicContact CZ2-CG 3.78Å; W596-Y617 AromaticContact NE1-CD1 3.53Å; W596-Y617 AromaticContact NE1-CD2 3.68Å; W596-Y617 AromaticContact NE1-CE1 3.53Å; W596-Y617 AromaticContact NE1-CE2 3.67Å; W596-Y617 AromaticContact NE1-CG 3.62Å; W596-Y617 AromaticContact NE1-CZ 3.63Å; W596-I619 HydrophobicContact CH2-CD1 3.78Å; W596-I619 HydrophobicContact CH2-CG1 4.21Å; W596-I619 HydrophobicContact CZ2-CD1 4.48Å; W596-I619 HydrophobicContact CZ3-CD1 4.12Å; W596-I619 HydrophobicContact CZ3-CG1 4.03Å; W596-A636 HydrophobicContact CH2-CB 3.95Å; W596-A636 HydrophobicContact CZ2-CB 4.19Å; W596-S640 WeakPolarHBondContact CZ2-O 3.15Å; W596-S640 PolarHBondContact NE1-O 2.95Å; W596-R641 PolarHBondContact N-O 2.83Å; W596-V643 HydrophobicContact CH2-CB 4.37Å; W596-V643 HydrophobicContact CH2-CG2 3.99Å; W596-V643 HydrophobicContact CZ3-CB 4.23Å; W596-V643 HydrophobicContact CZ3-CG2 4.35Å; W596-V658 HydrophobicContact CD2-CG1 3.94Å; W596-V658 HydrophobicContact CD2-CG2 4.37Å; W596-V658 HydrophobicContact CE3-CG1 4.33Å; W596-V658 HydrophobicContact CE3-CG2 4.11Å; W596-V658 HydrophobicContact CG-CG1 4.04Å
597	T	87.1	Confident	71.7	Confident	53 Å²	53	68.7 Å²	68.7	33%	0.325	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	149.7	168.8	54.9	0	0	0	0	110.7	T580	T580-T597 PolarHBondContact N-O 3.49Å; T580-T597 PolarHBondContact O-N 2.97Å; T580-T597 VanDerWaalsContact O-O 3.09Å; T580-T597 PolarHBondContact O-OG1 2.93Å; T580-T597 VanDerWaalsContact O-OG1 3.12Å; T580-T597 PolarHBondContact OG1-O 2.88Å; T580-T597 PolarHBondContact OG1-OG1 2.81Å
598	S	83.8	Confident	69.3	Low	34 Å²	34	73.4 Å²	73.4	24%	0.238	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	135.5	171.2	-175.9	0	0	0	0	109.1	F578 Y617	F578-S598 CarbonylContact O-C 3.49Å; F578-S598 VanDerWaalsContact O-CA 3.27Å; F578-S598 WeakPolarHBondContact O-CA 3.38Å; S598-Y617 WeakPolarHBondContact CB-OH 3.36Å; S598-Y617 PolarHBondContact OG-OH 3.39Å
599	R	78.7	Confident	66.9	Low	159 Å²	159	81 Å²	81	60%	0.6	41%	0.412	S	S	*	.			trans	-68.7	151.7	168.7	-62.4	-169.4	179.2	-168	-5.6	110.7	H577 F578 T580 H601	H577-R599 WeakPolarHBondContact O-CD 3.44Å; F578-R599 HydrophobicContact CD1-CB 4Å; F578-R599 PolarHBondContact O-N 2.64Å; T580-R599 HydrophobicContact CG2-CG 4.47Å; R599-H601 PolarHBondContact O-ND1 3.25Å; R599-H601 VanDerWaalsContact O-ND1 3.14Å
600	D	69	Low	64.7	Low	144 Å²	144	86.1 Å²	86.1	77%	0.77	45%	0.445	S	S	*	.			trans	-62.8	138.1	172.9	-74.5	-60.4	0	0	0	111	P565	P565-D600 WeakPolarHBondContact CB-O 3.33Å
601	H	66.8	Low	62.7	Low	45 Å²	45	86.3 Å²	86.3	21%	0.208	45%	0.454	C	S	.	.			trans	-136.6	150.9	-176.8	49.7	-85	0	0	0	109.4	I568 F578 R599 R603	I568-H601 HydrophobicContact CD1-CB 3.47Å; I568-H601 VanDerWaalsContact CD1-CB 3.47Å; I568-H601 HydrophobicContact CG1-CB 4.18Å; F578-H601 HydrophobicContact CD1-CB 3.86Å; F578-H601 HydrophobicContact CE1-CB 3.77Å; R599-H601 PolarHBondContact O-ND1 3.25Å; R599-H601 VanDerWaalsContact O-ND1 3.14Å; H601-R603 PolarHBondContact O-N 2.97Å; H601-R603 VanDerWaalsContact O-N 3.14Å
602	H	55.3	Low	60.6	Low	99 Å²	99	90.5 Å²	90.5	46%	0.458	48%	0.475	S	S	.	.			trans	-63.4	121.9	-177.4	-107.3	-26.8	0	0	0	110.7	P565 P566 I567 Y604	P565-H602 WeakPolarHBondContact O-CB 3.28Å; P565-H602 PolarHBondContact O-CD2 3.04Å; P566-H602 PolarHBondContact O-N 3.02Å; P566-H602 VanDerWaalsContact O-N 3.16Å; I567-H602 HydrophobicContact CG1-CB 4.19Å; H602-Y604 PolarHBondContact O-N 3.13Å
603	R	51	Low	58.7	Low	200 Å²	200	96.5 Å²	96.5	76%	0.755	50%	0.503	S	S	*	.			trans	-64.2	120.6	175.5	-58.8	-178.2	-167.4	177.1	5.1	109.2	H601 S605	H601-R603 PolarHBondContact O-N 2.97Å; H601-R603 VanDerWaalsContact O-N 3.14Å; R603-S605 PolarHBondContact O-N 3.38Å
604	Y	37.8	Very low	57.4	Low	163 Å²	163	99.8 Å²	99.8	64%	0.639	52%	0.518	S	S	*	.			trans	-69.4	95.4	163.4	-164.5	-89.7	0	0	0	108.3	H602 H613	H602-Y604 PolarHBondContact O-N 3.13Å; Y604-H613 HydrophobicContact CD1-CB 4.09Å; Y604-H613 HydrophobicContact CE1-CB 4.44Å; Y604-H613 AromaticContact CE1-CD2 3.92Å
605	S	29.9	Very low	56.2	Low	98 Å²	98	100.7 Å²	100.7	69%	0.685	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-64.7	142.3	175.7	-77.9	0	0	0	0	110.2	R603 G607	R603-S605 PolarHBondContact O-N 3.38Å; S605-G607 PolarHBondContact O-N 3.1Å
606	P	35.4	Very low	55.7	Low	113 Å²	113	100.5 Å²	100.5	73%	0.734	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-71.3	131.8	-161.9	-20.1	33.7	0	0	0	113.6
607	G	34.8	Very low	55.4	Low	40 Å²	40	100.6 Å²	100.6	41%	0.412	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-62	167.3	141.7	0	0	0	0	0	110.1	S605 R609	S605-G607 PolarHBondContact O-N 3.1Å; G607-R609 PolarHBondContact O-N 3.47Å
608	P	33.2	Very low	55.4	Low	144 Å²	144	100.4 Å²	100.4	94%	0.935	52%	0.519	S	S	*	.	S	Bend	trans	-74.8	35.5	-166	31.3	-37.8	0	0	0	115.6
609	R	34.9	Very low	55.5	Low	211 Å²	211	98.8 Å²	98.8	80%	0.796	51%	0.507	S	S	*	.			trans	-142.1	108.2	172.7	-66.7	-173.7	178.4	-172.1	-2.1	109.6	G607	G607-R609 PolarHBondContact O-N 3.47Å
610	P	37.3	Very low	55.7	Low	129 Å²	129	93 Å²	93	84%	0.838	49%	0.488	S	S	*	.			trans	-71.1	154.4	174.4	30.1	-34	0	0	0	111.7
611	G	41.7	Very low	56.4	Low	55 Å²	55	86.9 Å²	86.9	57%	0.567	45%	0.454	S	S	*	.	S	Bend	trans	103.6	-12.8	164	0	0	0	0	0	118.6
612	L	42.3	Very low	57.2	Low	127 Å²	127	86.6 Å²	86.6	67%	0.665	45%	0.454	S	S	*	.	S	Bend	trans	-107.3	-4.5	-173.6	-115.4	155.5	0	0	0	115.7	G663	L612-G663 WeakPolarHBondContact O-CA 3.42Å
613	H	50.8	Low	58.5	Low	127 Å²	127	87 Å²	87	59%	0.588	45%	0.452	S	S	*	.	S	Bend	trans	-134.4	37.3	-179.6	-63.4	-42.1	0	0	0	112.7	Y604	Y604-H613 HydrophobicContact CD1-CB 4.09Å; Y604-H613 HydrophobicContact CE1-CB 4.44Å; Y604-H613 AromaticContact CE1-CD2 3.92Å
614	E	63.1	Low	59.6	Low	72 Å²	72	84.6 Å²	84.6	34%	0.336	45%	0.447	S	S	.	.			trans	-108.5	145	175.9	-62.2	-160.1	100.7	0	0	111.9	H616 R638 G663	E614-H616 PolarHBondContact O-ND1 2.85Å; E614-R638 IonicContact OE1-CZ 2.85Å; E614-R638 IonicContact OE1-NH1 3.66Å; E614-R638 PolarHBondContact OE1-NH1 3.44Å; E614-G663 PolarHBondContact O-N 2.77Å
615	V	66.1	Low	60.9	Low	18 Å²	18	80.4 Å²	80.4	11%	0.109	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	129.4	177.4	-171.2	0	0	0	0	109.7	F574 R638 V661 V662	F574-V615 HydrophobicContact CD1-CG1 4.42Å; F574-V615 HydrophobicContact CD2-CG1 4.11Å; F574-V615 HydrophobicContact CE1-CG1 4.01Å; F574-V615 HydrophobicContact CE2-CG1 3.71Å; F574-V615 HydrophobicContact CE2-CG2 4.38Å; F574-V615 HydrophobicContact CG-CG1 4.48Å; F574-V615 HydrophobicContact CZ-CG1 3.67Å; V615-R638 WeakPolarHBondContact O-CA 3.24Å; V615-R638 WeakPolarHBondContact O-CB 3.25Å; V615-V661 WeakPolarHBondContact CA-O 3.5Å; V615-V662 HydrophobicContact CG1-CG2 4.27Å; V615-V662 HydrophobicContact CG2-CG1 4.48Å; V615-V662 HydrophobicContact CG2-CG2 4.23Å
616	H	79.9	Confident	62.4	Low	73 Å²	73	79.4 Å²	79.4	34%	0.338	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	168	174.3	-62.1	72.3	0	0	0	109.5	E614 G660 V661	E614-H616 PolarHBondContact O-ND1 2.85Å; H616-G660 CarbonylContact O-C 3.56Å; H616-G660 WeakPolarHBondContact O-CA 3.3Å; H616-V661 HydrophobicContact CB-CB 4.27Å; H616-V661 PolarHBondContact N-O 3.11Å; H616-V661 PolarHBondContact O-N 2.94Å
617	Y	84.8	Confident	63.1	Low	8 Å²	8	79.1 Å²	79.1	3%	0.031	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	147.2	172.6	-55.2	-83.7	0	0	0	111.6	F574 I579 W596 S598 Y635 A636 R638 V658 E659	F574-Y617 AromaticContact CE1-CE1 3.84Å; F574-Y617 HydrophobicContact CE1-CE1 3.84Å; F574-Y617 AromaticContact CZ-CE1 3.93Å; F574-Y617 HydrophobicContact CZ-CE1 3.93Å; I579-Y617 HydrophobicContact CD1-CD1 4.48Å; I579-Y617 HydrophobicContact CG1-CE1 4.43Å; W596-Y617 AromaticContact CE2-CG 3.91Å; W596-Y617 HydrophobicContact CZ2-CD1 4.5Å; W596-Y617 AromaticContact CZ2-CD2 3.72Å; W596-Y617 HydrophobicContact CZ2-CD2 3.72Å; W596-Y617 HydrophobicContact CZ2-CE2 4.42Å; W596-Y617 AromaticContact CZ2-CG 3.78Å; W596-Y617 HydrophobicContact CZ2-CG 3.78Å; W596-Y617 AromaticContact NE1-CD1 3.53Å; W596-Y617 AromaticContact NE1-CD2 3.68Å; W596-Y617 AromaticContact NE1-CE1 3.53Å; W596-Y617 AromaticContact NE1-CE2 3.67Å; W596-Y617 AromaticContact NE1-CG 3.62Å; W596-Y617 AromaticContact NE1-CZ 3.63Å; S598-Y617 WeakPolarHBondContact CB-OH 3.36Å; S598-Y617 PolarHBondContact OG-OH 3.39Å; Y617-Y635 WeakPolarHBondContact O-CA 3.45Å; Y617-A636 PolarHBondContact N-O 2.94Å; Y617-A636 PolarHBondContact O-N 3.35Å; Y617-R638 WeakPolarHBondContact CE2-O 3.23Å; Y617-V658 HydrophobicContact CD1-CG1 4.24Å; Y617-E659 CarbonylContact C-O 3.54Å; Y617-E659 VanDerWaalsContact CA-O 3.32Å; Y617-E659 WeakPolarHBondContact CA-O 3.49Å
618	R	86.1	Confident	63.8	Low	50 Å²	50	82.2 Å²	82.2	19%	0.189	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	114.4	173.3	-177.2	173.1	74	169.8	5.1	108.3	L620 Y635 E659 V661	R618-L620 HydrophobicContact CG-CD1 4.2Å; R618-L620 HydrophobicContact CG-CG 4.35Å; R618-Y635 HydrophobicContact CB-CD1 4.1Å; R618-Y635 HydrophobicContact CB-CE1 3.94Å; R618-Y635 HydrophobicContact CG-CD1 4.29Å; R618-Y635 HydrophobicContact CG-CE1 3.89Å; R618-E659 IonicContact CZ-OE2 3.62Å; R618-E659 PolarHBondContact N-O 2.85Å; R618-E659 IonicContact NE-OE2 2.68Å; R618-E659 PolarHBondContact NE-OE2 3.03Å; R618-E659 IonicContact NH2-OE2 3.76Å; R618-E659 PolarHBondContact NH2-OE2 3.27Å; R618-E659 PolarHBondContact O-N 3.08Å; R618-V661 HydrophobicContact CB-CG2 3.94Å
619	I	86.7	Confident	64.8	Low	0 Å²	0	84 Å²	84	0%	0	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	113.9	177.7	-58.5	77.5	0	0	0	106.9	V594 W596 Y633 V634 A636 V643 L645 V656 C657 V658	V594-I619 HydrophobicContact CG2-CG2 4.48Å; W596-I619 HydrophobicContact CH2-CD1 3.78Å; W596-I619 HydrophobicContact CH2-CG1 4.21Å; W596-I619 HydrophobicContact CZ2-CD1 4.48Å; W596-I619 HydrophobicContact CZ3-CD1 4.12Å; W596-I619 HydrophobicContact CZ3-CG1 4.03Å; I619-Y633 CarbonylContact O-C 3.48Å; I619-Y633 VanDerWaalsContact O-CA 3.25Å; I619-Y633 WeakPolarHBondContact O-CA 3.18Å; I619-V634 WeakPolarHBondContact CD1-O 3.25Å; I619-V634 PolarHBondContact N-O 3.03Å; I619-V634 PolarHBondContact O-N 3.26Å; I619-A636 HydrophobicContact CD1-CB 3.81Å; I619-V643 HydrophobicContact CD1-CB 4.28Å; I619-V643 HydrophobicContact CD1-CG2 3.92Å; I619-V643 HydrophobicContact CG1-CB 4.37Å; I619-L645 HydrophobicContact CG2-CD2 4.32Å; I619-V656 HydrophobicContact CG2-CG1 3.51Å; I619-C657 CarbonylContact C-O 3.34Å; I619-C657 WeakPolarHBondContact CA-O 3.34Å; I619-V658 HydrophobicContact CG1-CG2 4.41Å
620	L	82.8	Confident	65.4	Low	36 Å²	36	81.2 Å²	81.2	19%	0.188	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	140.9	176.3	-57.7	99.1	0	0	0	110.1	R618 P631 R632 V656 C657 E659	R618-L620 HydrophobicContact CG-CD1 4.2Å; R618-L620 HydrophobicContact CG-CG 4.35Å; L620-P631 HydrophobicContact CD2-CB 4.47Å; L620-R632 WeakPolarHBondContact CA-O 3.45Å; L620-V656 CarbonylContact O-C 3.6Å; L620-V656 VanDerWaalsContact O-CA 3.26Å; L620-V656 WeakPolarHBondContact O-CA 3.5Å; L620-V656 WeakPolarHBondContact O-CG1 3.33Å; L620-C657 PolarHBondContact N-O 2.78Å; L620-C657 PolarHBondContact O-N 3.1Å; L620-E659 HydrophobicContact CD1-CB 4.34Å; L620-E659 HydrophobicContact CD1-CG 3.77Å; L620-E659 WeakPolarHBondContact CD1-OE2 3.43Å
621	F	84	Confident	66.5	Low	16 Å²	16	78.7 Å²	78.7	7%	0.07	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	141.4	174	66	-76.6	0	0	0	112.8	R632 V634 L645 L648 Y654 V655 V656	F621-R632 HydrophobicContact CD1-CB 3.89Å; F621-R632 WeakPolarHBondContact CD1-O 3.46Å; F621-R632 HydrophobicContact CD2-CB 4.3Å; F621-R632 HydrophobicContact CE1-CB 3.44Å; F621-R632 VanDerWaalsContact CE1-CB 3.44Å; F621-R632 HydrophobicContact CE2-CB 3.92Å; F621-R632 HydrophobicContact CE2-CG 4.4Å; F621-R632 HydrophobicContact CG-CB 4.3Å; F621-R632 HydrophobicContact CZ-CB 3.47Å; F621-R632 VanDerWaalsContact CZ-CB 3.47Å; F621-R632 HydrophobicContact CZ-CG 4.24Å; F621-R632 PolarHBondContact N-O 2.99Å; F621-R632 PolarHBondContact O-N 3.14Å; F621-V634 HydrophobicContact CE1-CG2 4.2Å; F621-L645 HydrophobicContact CB-CD1 3.94Å; F621-L645 HydrophobicContact CD1-CD1 3.86Å; F621-L645 HydrophobicContact CD1-CD2 3.9Å; F621-L645 HydrophobicContact CD1-CG 4.49Å; F621-L645 HydrophobicContact CD2-CD1 4.25Å; F621-L645 HydrophobicContact CE1-CD1 4.4Å; F621-L645 HydrophobicContact CE1-CD2 3.86Å; F621-L645 HydrophobicContact CG-CD1 3.78Å; F621-L648 HydrophobicContact CD2-CD2 3.76Å; F621-L648 HydrophobicContact CE2-CD2 3.56Å; F621-Y654 HydrophobicContact CD2-CD1 4.35Å; F621-Y654 HydrophobicContact CD2-CE1 4.45Å; F621-V655 WeakPolarHBondContact CA-O 3.47Å; F621-V656 HydrophobicContact CB-CB 4.45Å; F621-V656 HydrophobicContact CB-CG1 4.36Å; F621-V656 HydrophobicContact CB-CG2 3.86Å
622	D	82.4	Confident	67.9	Low	39 Å²	39	82.6 Å²	82.6	21%	0.209	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	160.2	-179.4	-158.7	-2.1	0	0	0	111.4	R629 Y654 V655	D622-R629 WeakPolarHBondContact OD2-CA 3.35Å; D622-R629 WeakPolarHBondContact OD2-CB 3.26Å; D622-R629 WeakPolarHBondContact OD2-CG 3.43Å; D622-Y654 WeakPolarHBondContact O-CA 3.39Å; D622-Y654 WeakPolarHBondContact O-CD1 3.35Å; D622-V655 PolarHBondContact N-O 3.31Å; D622-V655 VanDerWaalsContact N-O 3.09Å; D622-V655 PolarHBondContact O-N 2.92Å
623	R	82.5	Confident	69.6	Low	109 Å²	109	83 Å²	83	41%	0.411	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	130	179.5	-69.8	-177.9	174	164.6	-2.7	110.7	G625 N626 T649 V652 Y654	R623-G625 PolarHBondContact O-N 3.1Å; R623-N626 HydrophobicContact CB-CB 4.43Å; R623-T649 PolarHBondContact NH2-OG1 3.26Å; R623-V652 HydrophobicContact CB-CG1 4.42Å; R623-V652 HydrophobicContact CG-CG1 3.86Å; R623-Y654 HydrophobicContact CG-CD1 4.11Å; R623-Y654 HydrophobicContact CG-CE1 3.61Å
624	F	74.8	Confident	71	Confident	149 Å²	149	79.4 Å²	79.4	65%	0.654	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	123.3	-178.5	-172.2	-105.3	0	0	0	111.6	T653 V655	F624-T653 HydrophobicContact CB-CG2 3.73Å; F624-T653 HydrophobicContact CD1-CG2 4.32Å; F624-T653 HydrophobicContact CG-CG2 4.24Å; F624-T653 PolarHBondContact N-O 3Å; F624-V655 HydrophobicContact CB-CG2 4.37Å; F624-V655 HydrophobicContact CD2-CG2 3.63Å; F624-V655 HydrophobicContact CE2-CG2 4.4Å; F624-V655 HydrophobicContact CG-CG2 4.39Å
625	G	66.3	Low	71.7	Confident	75 Å²	75	82.3 Å²	82.3	77%	0.773	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.8	-2.7	173.8	0	0	0	0	0	116.3	R623	R623-G625 PolarHBondContact O-N 3.1Å
626	N	61.3	Low	72.5	Confident	76 Å²	76	81.9 Å²	81.9	41%	0.406	40%	0.397	S	S	.	.			trans	-81.2	142	176.6	-154.2	59.8	0	0	0	111.2	R623 D628	R623-N626 HydrophobicContact CB-CB 4.43Å; N626-D628 PolarHBondContact ND2-O 3.33Å
627	P	49.1	Very low	72	Confident	108 Å²	108	80.1 Å²	80.1	70%	0.701	40%	0.398	S	S	*	.	S	Bend	trans	-74.4	-38.5	176.8	28.7	-33.4	0	0	0	112.3	R629	P627-R629 PolarHBondContact O-N 2.88Å; P627-R629 VanDerWaalsContact O-N 3.17Å
628	D	49.8	Very low	71.4	Confident	104 Å²	104	84 Å²	84	56%	0.556	41%	0.413	S	S	*	.	S	Bend	trans	-77.3	102	178.2	-56.9	-52.5	0	0	0	110.1	N626 F630	N626-D628 PolarHBondContact ND2-O 3.33Å; D628-F630 HydrophobicContact CB-CD2 4.41Å; D628-F630 HydrophobicContact CB-CE2 4.13Å
629	R	54.4	Low	70.9	Confident	181 Å²	181	88.2 Å²	88.2	68%	0.683	44%	0.439	S	S	*	.			trans	-87.9	107.5	176.4	-64.7	-174.5	-178.4	-172.4	-1.6	110.5	D622 P627 P631	D622-R629 WeakPolarHBondContact OD2-CA 3.35Å; D622-R629 WeakPolarHBondContact OD2-CB 3.26Å; D622-R629 WeakPolarHBondContact OD2-CG 3.43Å; P627-R629 PolarHBondContact O-N 2.88Å; P627-R629 VanDerWaalsContact O-N 3.17Å; R629-P631 WeakPolarHBondContact O-CD 3.42Å
630	F	48.5	Very low	70.6	Confident	154 Å²	154	90.1 Å²	90.1	68%	0.675	45%	0.452	S	S	*	.			trans	-104.2	89.2	165.7	-73.9	-85.7	0	0	0	108	D628 R632	D628-F630 HydrophobicContact CB-CD2 4.41Å; D628-F630 HydrophobicContact CB-CE2 4.13Å; F630-R632 VanDerWaalsContact C-N 3.35Å; F630-R632 PolarHBondContact O-N 2.64Å
631	P	58.9	Low	70.7	Confident	76 Å²	76	97 Å²	97	49%	0.494	48%	0.476	S	S	.	.			trans	-67.1	93.2	-177.9	28.2	-35.3	0	0	0	109.9	L620 R629 Y633	L620-P631 HydrophobicContact CD2-CB 4.47Å; R629-P631 WeakPolarHBondContact O-CD 3.42Å; P631-Y633 WeakPolarHBondContact O-CD1 3.4Å
632	R	71.4	Confident	71	Confident	136 Å²	136	98.7 Å²	98.7	51%	0.513	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	131.7	172	-62.3	-176.8	-177.7	-153.3	-2.4	107.6	L620 F621 F630	L620-R632 WeakPolarHBondContact CA-O 3.45Å; F621-R632 HydrophobicContact CD1-CB 3.89Å; F621-R632 WeakPolarHBondContact CD1-O 3.46Å; F621-R632 HydrophobicContact CD2-CB 4.3Å; F621-R632 HydrophobicContact CE1-CB 3.44Å; F621-R632 VanDerWaalsContact CE1-CB 3.44Å; F621-R632 HydrophobicContact CE2-CB 3.92Å; F621-R632 HydrophobicContact CE2-CG 4.4Å; F621-R632 HydrophobicContact CG-CB 4.3Å; F621-R632 HydrophobicContact CZ-CB 3.47Å; F621-R632 VanDerWaalsContact CZ-CB 3.47Å; F621-R632 HydrophobicContact CZ-CG 4.24Å; F621-R632 PolarHBondContact N-O 2.99Å; F621-R632 PolarHBondContact O-N 3.14Å; F630-R632 VanDerWaalsContact C-N 3.35Å; F630-R632 PolarHBondContact O-N 2.64Å
633	Y	78.8	Confident	71.3	Confident	137 Å²	137	97.8 Å²	97.8	54%	0.537	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	141.4	-179.8	52.9	-98.2	0	0	0	111.8	I619 P631 Y635	I619-Y633 CarbonylContact O-C 3.48Å; I619-Y633 VanDerWaalsContact O-CA 3.25Å; I619-Y633 WeakPolarHBondContact O-CA 3.18Å; P631-Y633 WeakPolarHBondContact O-CD1 3.4Å; Y633-Y635 HydrophobicContact CD2-CD2 4.15Å; Y633-Y635 AromaticContact CD2-CE2 3.56Å; Y633-Y635 HydrophobicContact CD2-CE2 3.56Å; Y633-Y635 HydrophobicContact CE2-CD2 4.39Å; Y633-Y635 AromaticContact CE2-CE2 3.57Å; Y633-Y635 HydrophobicContact CE2-CE2 3.57Å
634	V	78.6	Confident	71.7	Confident	51 Å²	51	95.6 Å²	95.6	31%	0.309	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	130.8	169.4	-178.4	0	0	0	0	107.9	I619 F621 V643 L645	I619-V634 WeakPolarHBondContact CD1-O 3.25Å; I619-V634 PolarHBondContact N-O 3.03Å; I619-V634 PolarHBondContact O-N 3.26Å; F621-V634 HydrophobicContact CE1-CG2 4.2Å; V634-V643 HydrophobicContact CB-CG1 4.31Å; V634-V643 HydrophobicContact CG1-CG1 3.93Å; V634-L645 HydrophobicContact CB-CD2 4.35Å; V634-L645 HydrophobicContact CG2-CD2 3.69Å
635	Y	79.3	Confident	72.2	Confident	133 Å²	133	88.7 Å²	88.7	52%	0.522	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	139.3	171.6	-70.1	-72	0	0	0	110.5	Y617 R618 Y633 V661	Y617-Y635 WeakPolarHBondContact O-CA 3.45Å; R618-Y635 HydrophobicContact CB-CD1 4.1Å; R618-Y635 HydrophobicContact CB-CE1 3.94Å; R618-Y635 HydrophobicContact CG-CD1 4.29Å; R618-Y635 HydrophobicContact CG-CE1 3.89Å; Y633-Y635 HydrophobicContact CD2-CD2 4.15Å; Y633-Y635 AromaticContact CD2-CE2 3.56Å; Y633-Y635 HydrophobicContact CD2-CE2 3.56Å; Y633-Y635 HydrophobicContact CE2-CD2 4.39Å; Y633-Y635 AromaticContact CE2-CE2 3.57Å; Y633-Y635 HydrophobicContact CE2-CE2 3.57Å; Y635-V661 HydrophobicContact CE1-CG2 4.35Å
636	A	81.4	Confident	73.1	Confident	9 Å²	9	93.6 Å²	93.6	7%	0.074	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	145.2	175.1	0	0	0	0	0	110.6	W596 Y617 I619 V643	W596-A636 HydrophobicContact CH2-CB 3.95Å; W596-A636 HydrophobicContact CZ2-CB 4.19Å; Y617-A636 PolarHBondContact N-O 2.94Å; Y617-A636 PolarHBondContact O-N 3.35Å; I619-A636 HydrophobicContact CD1-CB 3.81Å; A636-V643 HydrophobicContact CB-CG2 3.72Å
637	G	71.3	Confident	74.1	Confident	35 Å²	35	97.7 Å²	97.7	36%	0.361	47%	0.466	S	S	.	.			trans	-67.5	162.4	-178.6	0	0	0	0	0	112.7	D639 S640	G637-D639 VanDerWaalsContact C-N 3.27Å; G637-D639 PolarHBondContact O-N 2.82Å; G637-D639 VanDerWaalsContact O-N 3.09Å; G637-S640 PolarHBondContact N-OG 3.46Å; G637-S640 WeakPolarHBondContact O-CB 3.34Å; G637-S640 PolarHBondContact O-N 3.2Å; G637-S640 PolarHBondContact O-OG 3.42Å; G637-S640 VanDerWaalsContact O-OG 3.1Å
638	R	72.2	Confident	75.7	Confident	90 Å²	90	93 Å²	93	34%	0.34	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-42.5	-44	-177.3	177.8	-176.8	171.7	155	4.1	116	E614 V615 Y617	E614-R638 IonicContact OE1-CZ 2.85Å; E614-R638 IonicContact OE1-NH1 3.66Å; E614-R638 PolarHBondContact OE1-NH1 3.44Å; V615-R638 WeakPolarHBondContact O-CA 3.24Å; V615-R638 WeakPolarHBondContact O-CB 3.25Å; Y617-R638 WeakPolarHBondContact CE2-O 3.23Å
639	D	73.7	Confident	77.2	Confident	138 Å²	138	90.7 Å²	90.7	74%	0.738	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	5.9	-175.4	-55.4	-58.1	0	0	0	113.2	G637	G637-D639 VanDerWaalsContact C-N 3.27Å; G637-D639 PolarHBondContact O-N 2.82Å; G637-D639 VanDerWaalsContact O-N 3.09Å
640	S	81.2	Confident	78.6	Confident	41 Å²	41	84.7 Å²	84.7	29%	0.287	41%	0.41	S	S	.	.			trans	-66.6	131.9	175.2	-59.1	0	0	0	0	111.2	W596 G637	W596-S640 WeakPolarHBondContact CZ2-O 3.15Å; W596-S640 PolarHBondContact NE1-O 2.95Å; G637-S640 PolarHBondContact N-OG 3.46Å; G637-S640 WeakPolarHBondContact O-CB 3.34Å; G637-S640 PolarHBondContact O-N 3.2Å; G637-S640 PolarHBondContact O-OG 3.42Å; G637-S640 VanDerWaalsContact O-OG 3.1Å
641	R	84.9	Confident	80	Confident	179 Å²	179	79.9 Å²	79.9	68%	0.675	40%	0.404	S	S	*	.			trans	-115.6	0.3	173.7	-60.4	-178.4	-178	-165.5	-3.8	112.9	Y595 W596	Y595-R641 WeakPolarHBondContact CA-O 3.24Å; W596-R641 PolarHBondContact N-O 2.83Å
642	S	90	Very high	81.1	Confident	53 Å²	53	78 Å²	78	37%	0.371	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	151	179.1	59.9	0	0	0	0	112.9	V594 Y595	V594-S642 CarbonylContact O-C 3.56Å; V594-S642 WeakPolarHBondContact O-CA 3.41Å; V594-S642 WeakPolarHBondContact O-CB 3.39Å; Y595-S642 VanDerWaalsContact CD1-CB 3.49Å
643	V	89.6	Confident	81.7	Confident	19 Å²	19	74.3 Å²	74.3	12%	0.115	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	131.2	170.7	155.6	0	0	0	0	109.7	V594 W596 I619 V634 A636 L645	V594-V643 PolarHBondContact N-O 3.17Å; V594-V643 PolarHBondContact O-N 2.89Å; W596-V643 HydrophobicContact CH2-CB 4.37Å; W596-V643 HydrophobicContact CH2-CG2 3.99Å; W596-V643 HydrophobicContact CZ3-CB 4.23Å; W596-V643 HydrophobicContact CZ3-CG2 4.35Å; I619-V643 HydrophobicContact CD1-CB 4.28Å; I619-V643 HydrophobicContact CD1-CG2 3.92Å; I619-V643 HydrophobicContact CG1-CB 4.37Å; V634-V643 HydrophobicContact CB-CG1 4.31Å; V634-V643 HydrophobicContact CG1-CG1 3.93Å; A636-V643 HydrophobicContact CB-CG2 3.72Å; V643-L645 HydrophobicContact CG1-CD2 3.89Å
644	T	89.6	Confident	82	Confident	64 Å²	64	68.4 Å²	68.4	39%	0.393	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	108.6	168.8	-51.3	0	0	0	0	110	V592 T593	V592-T644 CarbonylContact O-C 3.58Å; V592-T644 VanDerWaalsContact O-CA 3.3Å; V592-T644 WeakPolarHBondContact O-CA 3.45Å; T593-T644 PolarHBondContact OG1-OG1 2.93Å
645	L	86.8	Confident	82.4	Confident	3 Å²	3	68.2 Å²	68.2	2%	0.016	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	148.1	168.3	-54	177.4	0	0	0	109.4	T591 V592 V594 I619 F621 V634 V643 V656	T591-L645 VanDerWaalsContact CA-O 3.23Å; T591-L645 WeakPolarHBondContact CA-O 3.42Å; T591-L645 WeakPolarHBondContact CB-O 3.45Å; V592-L645 HydrophobicContact CG1-CB 4.1Å; V592-L645 HydrophobicContact CG1-CD1 4.16Å; V592-L645 HydrophobicContact CG1-CG 4.43Å; V592-L645 PolarHBondContact N-O 3.42Å; V592-L645 VanDerWaalsContact N-O 3.08Å; V592-L645 PolarHBondContact O-N 3.03Å; V594-L645 HydrophobicContact CG2-CD1 4.06Å; V594-L645 HydrophobicContact CG2-CG 4.19Å; I619-L645 HydrophobicContact CG2-CD2 4.32Å; F621-L645 HydrophobicContact CB-CD1 3.94Å; F621-L645 HydrophobicContact CD1-CD1 3.86Å; F621-L645 HydrophobicContact CD1-CD2 3.9Å; F621-L645 HydrophobicContact CD1-CG 4.49Å; F621-L645 HydrophobicContact CD2-CD1 4.25Å; F621-L645 HydrophobicContact CE1-CD1 4.4Å; F621-L645 HydrophobicContact CE1-CD2 3.86Å; F621-L645 HydrophobicContact CG-CD1 3.78Å; V634-L645 HydrophobicContact CB-CD2 4.35Å; V634-L645 HydrophobicContact CG2-CD2 3.69Å; V643-L645 HydrophobicContact CG1-CD2 3.89Å; L645-V656 HydrophobicContact CD1-CG1 4.15Å; L645-V656 HydrophobicContact CD1-CG2 4.04Å
646	R	84.6	Confident	82.7	Confident	179 Å²	179	61.9 Å²	61.9	68%	0.675	34%	0.335	S	S	*	.			trans	-132.3	172	179.9	-58.9	-175.8	179.3	-177.2	-1.5	109.8	S590 T591 L648	S590-R646 CarbonylContact O-C 3.58Å; S590-R646 WeakPolarHBondContact O-CA 3.44Å; T591-R646 HydrophobicContact CG2-CB 4.45Å; T591-R646 HydrophobicContact CG2-CG 4.11Å; R646-L648 PolarHBondContact O-N 3.31Å
647	E	81.8	Confident	82.9	Confident	161 Å²	161	62.8 Å²	62.8	75%	0.752	34%	0.34	S	S	*	.	S	Bend	trans	58.7	30.2	178.7	-58.7	169.2	-156.6	0	0	113.5	S590	S590-E647 PolarHBondContact O-N 2.9Å
648	L	82.8	Confident	83.7	Confident	11 Å²	11	61.1 Å²	61.1	6%	0.058	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-72.9	153.9	168.3	-58.2	-174.7	0	0	0	110.5	S590 V592 F621 R646 Y654 T680	S590-L648 WeakPolarHBondContact CA-O 3.36Å; S590-L648 PolarHBondContact O-N 3.2Å; V592-L648 HydrophobicContact CB-CD1 4.17Å; V592-L648 HydrophobicContact CG1-CD1 3.54Å; F621-L648 HydrophobicContact CD2-CD2 3.76Å; F621-L648 HydrophobicContact CE2-CD2 3.56Å; R646-L648 PolarHBondContact O-N 3.31Å; L648-Y654 HydrophobicContact CB-CE2 4.18Å; L648-Y654 HydrophobicContact CD2-CD1 4.35Å; L648-Y654 HydrophobicContact CD2-CE1 3.98Å; L648-Y654 HydrophobicContact CD2-CE2 4.31Å; L648-T680 HydrophobicContact CB-CG2 3.85Å; L648-T680 HydrophobicContact CD1-CG2 3.87Å
649	T	82.2	Confident	84.4	Confident	54 Å²	54	57.2 Å²	57.2	33%	0.331	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-89.2	131.8	175.4	-47.7	0	0	0	0	109.5	S589 R623 V652 Y654 T680	S589-T649 CarbonylContact O-C 3.38Å; R623-T649 PolarHBondContact NH2-OG1 3.26Å; T649-V652 HydrophobicContact CG2-CG2 3.87Å; T649-Y654 PolarHBondContact N-OH 2.86Å; T649-Y654 PolarHBondContact OG1-OH 2.82Å; T649-T680 WeakPolarHBondContact O-CB 3.17Å; T649-T680 PolarHBondContact O-OG1 2.81Å
650	S	82.4	Confident	84.9	Confident	55 Å²	55	50.7 Å²	50.7	39%	0.385	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	142.9	179.7	59.7	0	0	0	0	112.8	S589 V652 T680 L681	S589-S650 VanDerWaalsContact O-CA 3.22Å; S589-S650 WeakPolarHBondContact O-CA 3.47Å; S589-S650 PolarHBondContact O-N 3.32Å; S650-V652 VanDerWaalsContact C-N 3.34Å; S650-T680 WeakPolarHBondContact CA-OG1 3.44Å; S650-L681 WeakPolarHBondContact CB-O 3.35Å
651	G	78	Confident	84.7	Confident	53 Å²	53	49.3 Å²	49.3	55%	0.546	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.2	25.9	178.5	0	0	0	0	0	114.5	T680 L681	G651-T680 WeakPolarHBondContact CA-O 3.28Å; G651-T680 PolarHBondContact N-O 3.08Å; G651-T680 VanDerWaalsContact N-O 3.13Å; G651-T680 PolarHBondContact N-OG1 2.98Å; G651-L681 PolarHBondContact N-O 3Å
652	V	82.1	Confident	84.1	Confident	36 Å²	36	41.9 Å²	41.9	22%	0.218	24%	0.238	C	C	.	.			trans	-122.5	136	-177.7	178.4	0	0	0	0	110.4	R623 T649 S650 Y654 T680	R623-V652 HydrophobicContact CB-CG1 4.42Å; R623-V652 HydrophobicContact CG-CG1 3.86Å; T649-V652 HydrophobicContact CG2-CG2 3.87Å; S650-V652 VanDerWaalsContact C-N 3.34Å; V652-Y654 HydrophobicContact CB-CD2 4.36Å; V652-Y654 HydrophobicContact CB-CE2 3.79Å; V652-Y654 HydrophobicContact CG1-CD2 4.17Å; V652-Y654 HydrophobicContact CG1-CE2 3.75Å; V652-Y654 WeakPolarHBondContact O-CD2 3.36Å; V652-T680 PolarHBondContact N-OG1 2.82Å; V652-T680 PolarHBondContact O-N 3.1Å; V652-T680 VanDerWaalsContact O-N 3.1Å; V652-T680 PolarHBondContact O-OG1 2.68Å
653	T	84.2	Confident	82.7	Confident	60 Å²	60	39.9 Å²	39.9	37%	0.368	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	127.4	173.5	-49.2	0	0	0	0	110.2	F624 L678 V679	F624-T653 HydrophobicContact CB-CG2 3.73Å; F624-T653 HydrophobicContact CD1-CG2 4.32Å; F624-T653 HydrophobicContact CG-CG2 4.24Å; F624-T653 PolarHBondContact N-O 3Å; T653-L678 CarbonylContact C-O 3.58Å; T653-L678 WeakPolarHBondContact CA-O 3.46Å; T653-V679 HydrophobicContact CG2-CG2 4.15Å
654	Y	85.1	Confident	81.3	Confident	12 Å²	12	42 Å²	42	5%	0.047	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	153.2	174.3	-71.4	-96	0	0	0	110.7	F621 D622 R623 L648 T649 V652 G677 L678 T680	F621-Y654 HydrophobicContact CD2-CD1 4.35Å; F621-Y654 HydrophobicContact CD2-CE1 4.45Å; D622-Y654 WeakPolarHBondContact O-CA 3.39Å; D622-Y654 WeakPolarHBondContact O-CD1 3.35Å; R623-Y654 HydrophobicContact CG-CD1 4.11Å; R623-Y654 HydrophobicContact CG-CE1 3.61Å; L648-Y654 HydrophobicContact CB-CE2 4.18Å; L648-Y654 HydrophobicContact CD2-CD1 4.35Å; L648-Y654 HydrophobicContact CD2-CE1 3.98Å; L648-Y654 HydrophobicContact CD2-CE2 4.31Å; T649-Y654 PolarHBondContact N-OH 2.86Å; T649-Y654 PolarHBondContact OG1-OH 2.82Å; V652-Y654 HydrophobicContact CB-CD2 4.36Å; V652-Y654 HydrophobicContact CB-CE2 3.79Å; V652-Y654 HydrophobicContact CG1-CD2 4.17Å; V652-Y654 HydrophobicContact CG1-CE2 3.75Å; V652-Y654 WeakPolarHBondContact O-CD2 3.36Å; Y654-G677 WeakPolarHBondContact O-CA 3.41Å; Y654-L678 HydrophobicContact CD2-CD1 4.29Å; Y654-L678 PolarHBondContact N-O 3.09Å; Y654-L678 PolarHBondContact O-N 3.29Å; Y654-T680 HydrophobicContact CD2-CG2 4.12Å; Y654-T680 HydrophobicContact CE2-CG2 4.07Å
655	V	86.7	Confident	80.1	Confident	47 Å²	47	46.2 Å²	46.2	29%	0.285	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	136.2	162.2	174.5	0	0	0	0	108	F621 D622 F624 C675	F621-V655 WeakPolarHBondContact CA-O 3.47Å; D622-V655 PolarHBondContact N-O 3.31Å; D622-V655 VanDerWaalsContact N-O 3.09Å; D622-V655 PolarHBondContact O-N 2.92Å; F624-V655 HydrophobicContact CB-CG2 4.37Å; F624-V655 HydrophobicContact CD2-CG2 3.63Å; F624-V655 HydrophobicContact CE2-CG2 4.4Å; F624-V655 HydrophobicContact CG-CG2 4.39Å; V655-C675 HydrophobicContact CG1-CB 4.25Å
656	V	86.9	Confident	79.4	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.006	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	133.3	179.5	-173.3	0	0	0	0	109.3	V594 I619 L620 F621 L645 C675 A676 L678	V594-V656 HydrophobicContact CG1-CG1 4.2Å; V594-V656 HydrophobicContact CG2-CG1 3.81Å; I619-V656 HydrophobicContact CG2-CG1 3.51Å; L620-V656 CarbonylContact O-C 3.6Å; L620-V656 VanDerWaalsContact O-CA 3.26Å; L620-V656 WeakPolarHBondContact O-CA 3.5Å; L620-V656 WeakPolarHBondContact O-CG1 3.33Å; F621-V656 HydrophobicContact CB-CB 4.45Å; F621-V656 HydrophobicContact CB-CG1 4.36Å; F621-V656 HydrophobicContact CB-CG2 3.86Å; L645-V656 HydrophobicContact CD1-CG1 4.15Å; L645-V656 HydrophobicContact CD1-CG2 4.04Å; V656-C675 CarbonylContact O-C 3.48Å; V656-C675 VanDerWaalsContact O-CA 3.24Å; V656-C675 WeakPolarHBondContact O-CA 3.29Å; V656-A676 PolarHBondContact N-O 3.08Å; V656-A676 PolarHBondContact O-N 3.07Å; V656-L678 HydrophobicContact CG2-CD2 3.46Å; V656-L678 VanDerWaalsContact CG2-CD2 3.46Å
657	C	85.7	Confident	78.9	Confident	27 Å²	27	39.3 Å²	39.3	18%	0.182	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	142.4	179.3	-55.1	0	0	0	0	111.2	I619 L620 H674 C675	I619-C657 CarbonylContact C-O 3.34Å; I619-C657 WeakPolarHBondContact CA-O 3.34Å; L620-C657 PolarHBondContact N-O 2.78Å; L620-C657 PolarHBondContact O-N 3.1Å; C657-H674 WeakPolarHBondContact CA-O 3.37Å; C657-C675 HydrophobicContact CB-CB 4.09Å; C657-C675 WeakPolarHBondContact CB-SG 3.47Å; C657-C675 WeakPolarHBondContact SG-CB 3.3Å; C657-C675 CovalentContact SG-SG 2.04Å; C657-C675 PolarHBondContact SG-SG 2.93Å
658	V	87.6	Confident	78	Confident	0 Å²	0	39 Å²	39	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	124.5	175.6	-172.7	0	0	0	0	110.1	I579 V582 V594 W596 Y617 I619 H674	I579-V658 HydrophobicContact CD1-CG1 4.43Å; V582-V658 HydrophobicContact CG1-CG2 3.89Å; V582-V658 HydrophobicContact CG2-CB 4.21Å; V582-V658 HydrophobicContact CG2-CG2 4.15Å; V594-V658 HydrophobicContact CG1-CG2 4.1Å; W596-V658 HydrophobicContact CD2-CG1 3.94Å; W596-V658 HydrophobicContact CD2-CG2 4.37Å; W596-V658 HydrophobicContact CE3-CG1 4.33Å; W596-V658 HydrophobicContact CE3-CG2 4.11Å; W596-V658 HydrophobicContact CG-CG1 4.04Å; Y617-V658 HydrophobicContact CD1-CG1 4.24Å; I619-V658 HydrophobicContact CG1-CG2 4.41Å; V658-H674 PolarHBondContact N-O 3.39Å; V658-H674 WeakPolarHBondContact O-CB 3.39Å
659	E	86.6	Confident	76.9	Confident	9 Å²	9	39.4 Å²	39.4	4%	0.042	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	147.7	174.9	-64.4	-176.7	152	0	0	111.2	Y617 R618 L620 V666	Y617-E659 CarbonylContact C-O 3.54Å; Y617-E659 VanDerWaalsContact CA-O 3.32Å; Y617-E659 WeakPolarHBondContact CA-O 3.49Å; R618-E659 IonicContact CZ-OE2 3.62Å; R618-E659 PolarHBondContact N-O 2.85Å; R618-E659 IonicContact NE-OE2 2.68Å; R618-E659 PolarHBondContact NE-OE2 3.03Å; R618-E659 IonicContact NH2-OE2 3.76Å; R618-E659 PolarHBondContact NH2-OE2 3.27Å; R618-E659 PolarHBondContact O-N 3.08Å; L620-E659 HydrophobicContact CD1-CB 4.34Å; L620-E659 HydrophobicContact CD1-CG 3.77Å; L620-E659 WeakPolarHBondContact CD1-OE2 3.43Å; E659-V666 HydrophobicContact CB-CG1 4.28Å; E659-V666 WeakPolarHBondContact OE2-CG1 3.36Å
660	G	83.6	Confident	75.7	Confident	0 Å²	0	39 Å²	39	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	142.3	168.9	0	0	0	0	0	112.2	N575 H616	N575-G660 WeakPolarHBondContact OD1-CA 3.5Å; N575-G660 PolarHBondContact OD1-N 2.99Å; H616-G660 CarbonylContact O-C 3.56Å; H616-G660 WeakPolarHBondContact O-CA 3.3Å
661	V	77.4	Confident	74.5	Confident	13 Å²	13	37.4 Å²	37.4	8%	0.079	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	108.4	176.2	-177.3	0	0	0	0	107.5	V615 H616 R618 Y635 F665 V666	V615-V661 WeakPolarHBondContact CA-O 3.5Å; H616-V661 HydrophobicContact CB-CB 4.27Å; H616-V661 PolarHBondContact N-O 3.11Å; H616-V661 PolarHBondContact O-N 2.94Å; R618-V661 HydrophobicContact CB-CG2 3.94Å; Y635-V661 HydrophobicContact CE1-CG2 4.35Å; V661-F665 CarbonylContact C-O 3.59Å; V661-F665 WeakPolarHBondContact CA-O 3.32Å; V661-V666 HydrophobicContact CB-CG2 4.44Å; V661-V666 HydrophobicContact CG1-CG2 4.09Å; V661-V666 HydrophobicContact CG2-CG1 4.25Å; V661-V666 HydrophobicContact CG2-CG2 3.9Å
662	V	72.7	Confident	73.8	Confident	22 Å²	22	43.3 Å²	43.3	13%	0.133	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	110.3	-174.2	-178.1	0	0	0	0	109	I568 P571 F574 V615 G664 F665	I568-V662 HydrophobicContact CG2-CG2 4.47Å; P571-V662 HydrophobicContact CB-CB 4.18Å; P571-V662 HydrophobicContact CB-CG2 3.97Å; F574-V662 HydrophobicContact CB-CG2 3.78Å; F574-V662 HydrophobicContact CD2-CG2 4.29Å; F574-V662 HydrophobicContact CG-CG2 3.98Å; V615-V662 HydrophobicContact CG1-CG2 4.27Å; V615-V662 HydrophobicContact CG2-CG1 4.48Å; V615-V662 HydrophobicContact CG2-CG2 4.23Å; V662-G664 VanDerWaalsContact C-N 3.26Å; V662-G664 PolarHBondContact O-N 2.77Å; V662-F665 PolarHBondContact N-O 3.18Å; V662-F665 PolarHBondContact O-N 2.91Å
663	G	61	Low	72.9	Confident	12 Å²	12	48.1 Å²	48.1	12%	0.124	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	60	33.8	178.1	0	0	0	0	0	114.1	L612 E614 F665	L612-G663 WeakPolarHBondContact O-CA 3.42Å; E614-G663 PolarHBondContact O-N 2.77Å; G663-F665 VanDerWaalsContact C-N 3.33Å; G663-F665 WeakPolarHBondContact O-CD2 3.44Å
664	G	60.3	Low	72.6	Confident	64 Å²	64	45.9 Å²	45.9	66%	0.66	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.5	-10.8	-176	0	0	0	0	0	115.4	V662	V662-G664 VanDerWaalsContact C-N 3.26Å; V662-G664 PolarHBondContact O-N 2.77Å
665	F	63	Low	72.4	Confident	151 Å²	151	47.6 Å²	47.6	66%	0.662	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.7	142.4	178	-60.4	-85.4	0	0	0	111.6	P571 V661 V662 G663	P571-F665 HydrophobicContact CG-CB 4.36Å; V661-F665 CarbonylContact C-O 3.59Å; V661-F665 WeakPolarHBondContact CA-O 3.32Å; V662-F665 PolarHBondContact N-O 3.18Å; V662-F665 PolarHBondContact O-N 2.91Å; G663-F665 VanDerWaalsContact C-N 3.33Å; G663-F665 WeakPolarHBondContact O-CD2 3.44Å
666	V	73.5	Confident	72.2	Confident	28 Å²	28	46.2 Å²	46.2	17%	0.17	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	150.9	175.8	-153.6	0	0	0	0	109.5	E659 V661 H668	E659-V666 HydrophobicContact CB-CG1 4.28Å; E659-V666 WeakPolarHBondContact OE2-CG1 3.36Å; V661-V666 HydrophobicContact CB-CG2 4.44Å; V661-V666 HydrophobicContact CG1-CG2 4.09Å; V661-V666 HydrophobicContact CG2-CG1 4.25Å; V661-V666 HydrophobicContact CG2-CG2 3.9Å; V666-H668 PolarHBondContact O-N 3.45Å
667	C	73.8	Confident	72.1	Confident	9 Å²	9	49 Å²	49	6%	0.061	29%	0.286	C	S	.	.			trans	-62.4	127.5	177.4	-175.9	0	0	0	0	111.3	P571 C572 V669	P571-C667 HydrophobicContact CB-CB 4.45Å; C572-C667 WeakPolarHBondContact CA-SG 3.1Å; C572-C667 HydrophobicContact CB-CB 3.93Å; C572-C667 WeakPolarHBondContact CB-SG 3.28Å; C572-C667 WeakPolarHBondContact SG-CA 3.25Å; C572-C667 WeakPolarHBondContact SG-CB 3.48Å; C572-C667 CovalentContact SG-SG 2.03Å; C572-C667 PolarHBondContact SG-SG 2.93Å; C667-V669 PolarHBondContact O-N 3.38Å; C667-V669 PolarHBondContact SG-N 3.25Å; C667-V669 PolarHBondContact SG-O 3.21Å
668	H	61.8	Low	72	Confident	156 Å²	156	48.2 Å²	48.2	72%	0.722	28%	0.28	S	S	*	.	S	Bend	trans	-73.7	-7.4	174.1	-64.1	-58.2	0	0	0	113.5	V666	V666-H668 PolarHBondContact O-N 3.45Å
669	V	59.8	Low	71.8	Confident	19 Å²	19	52.4 Å²	52.4	12%	0.115	31%	0.306	C	S	.	.	S	Bend	trans	-118.5	85.5	179.9	-179.3	0	0	0	0	108.9	N42 Y90 C667 P671	N42-V669 WeakPolarHBondContact ND2-CA 3.31Å; Y90-V669 HydrophobicContact CD2-CG2 4.21Å; C667-V669 PolarHBondContact O-N 3.38Å; C667-V669 PolarHBondContact SG-N 3.25Å; C667-V669 PolarHBondContact SG-O 3.21Å; V669-P671 WeakPolarHBondContact O-CD 3.35Å; V669-P671 VanDerWaalsContact O-N 3.13Å
670	A	56.8	Low	71.6	Confident	44 Å²	44	52 Å²	52	36%	0.364	30%	0.304	S	S	.	.			trans	-44.7	114.6	173.6	0	0	0	0	0	112.1	N42	N42-A670 PolarHBondContact ND2-N 2.83Å; N42-A670 PolarHBondContact ND2-O 3.48Å
671	P	58.9	Low	71.4	Confident	22 Å²	22	56.6 Å²	56.6	14%	0.143	33%	0.328	C	S	.	.			trans	-81.5	121.2	-178.4	18.6	-10.6	0	0	0	110.5	N575 V669 D673	N575-P671 HydrophobicContact CB-CG 3.58Å; V669-P671 WeakPolarHBondContact O-CD 3.35Å; V669-P671 VanDerWaalsContact O-N 3.13Å; P671-D673 PolarHBondContact O-N 3.27Å
672	R	61.3	Low	71.2	Confident	177 Å²	177	60.8 Å²	60.8	67%	0.668	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-63.9	-25.9	-179.3	-68.8	-176.5	173.1	-157.8	-4.2	113.5	H674 C675	R672-H674 PolarHBondContact O-N 2.91Å; R672-C675 WeakPolarHBondContact O-CB 3.36Å; R672-C675 PolarHBondContact O-N 3.13Å
673	D	65.1	Low	70.9	Confident	137 Å²	137	66.8 Å²	66.8	73%	0.733	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-74.1	-7.7	-171.3	-44.4	-48.1	0	0	0	112.9	P671	P671-D673 PolarHBondContact O-N 3.27Å
674	H	76	Confident	70.4	Confident	13 Å²	13	70.5 Å²	70.5	6%	0.06	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-114.5	23.4	176.4	-48.3	123.7	0	0	0	112.2	N575 I579 V582 C657 V658 R672	N575-H674 VanDerWaalsContact C-CE1 3.48Å; N575-H674 PolarHBondContact O-CE1 2.88Å; N575-H674 PolarHBondContact O-NE2 2.95Å; I579-H674 HydrophobicContact CG2-CB 4.18Å; I579-H674 PolarHBondContact O-NE2 3.26Å; V582-H674 HydrophobicContact CG2-CB 3.91Å; C657-H674 WeakPolarHBondContact CA-O 3.37Å; V658-H674 PolarHBondContact N-O 3.39Å; V658-H674 WeakPolarHBondContact O-CB 3.39Å; R672-H674 PolarHBondContact O-N 2.91Å
675	C	82.3	Confident	69.6	Low	48 Å²	48	72 Å²	72	32%	0.324	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	135.8	176.6	-61.2	0	0	0	0	111.6	V655 V656 C657 R672	V655-C675 HydrophobicContact CG1-CB 4.25Å; V656-C675 CarbonylContact O-C 3.48Å; V656-C675 VanDerWaalsContact O-CA 3.24Å; V656-C675 WeakPolarHBondContact O-CA 3.29Å; C657-C675 HydrophobicContact CB-CB 4.09Å; C657-C675 WeakPolarHBondContact CB-SG 3.47Å; C657-C675 WeakPolarHBondContact SG-CB 3.3Å; C657-C675 CovalentContact SG-SG 2.04Å; C657-C675 PolarHBondContact SG-SG 2.93Å; R672-C675 WeakPolarHBondContact O-CB 3.36Å; R672-C675 PolarHBondContact O-N 3.13Å
676	A	82.9	Confident	68.5	Low	19 Å²	19	71.6 Å²	71.6	16%	0.157	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	143	174.3	0	0	0	0	0	110.7	V582 V584 V656	V582-A676 HydrophobicContact CG1-CB 4.49Å; V584-A676 HydrophobicContact CG2-CB 3.56Å; V656-A676 PolarHBondContact N-O 3.08Å; V656-A676 PolarHBondContact O-N 3.07Å
677	G	83.7	Confident	67.1	Low	59 Å²	59	82.1 Å²	82.1	61%	0.608	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.2	144	172.1	0	0	0	0	0	111.3	Y654	Y654-G677 WeakPolarHBondContact O-CA 3.41Å
678	L	84.3	Confident	65.3	Low	11 Å²	11	91 Å²	91	6%	0.058	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	157.7	176.8	70.6	94.8	0	0	0	111.1	V584 V587 V592 T653 Y654 V656 T680	V584-L678 HydrophobicContact CG1-CB 4.07Å; V584-L678 HydrophobicContact CG1-CD2 3.84Å; V587-L678 HydrophobicContact CG1-CD1 4.3Å; V592-L678 HydrophobicContact CG1-CD2 3.85Å; V592-L678 HydrophobicContact CG2-CD2 4.21Å; T653-L678 CarbonylContact C-O 3.58Å; T653-L678 WeakPolarHBondContact CA-O 3.46Å; Y654-L678 HydrophobicContact CD2-CD1 4.29Å; Y654-L678 PolarHBondContact N-O 3.09Å; Y654-L678 PolarHBondContact O-N 3.29Å; V656-L678 HydrophobicContact CG2-CD2 3.46Å; V656-L678 VanDerWaalsContact CG2-CD2 3.46Å; L678-T680 HydrophobicContact CD1-CG2 4.07Å
679	V	82.6	Confident	63.9	Low	88 Å²	88	87.4 Å²	87.4	53%	0.533	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	119.3	173	-178.5	0	0	0	0	107.4	V587 T653	V587-V679 WeakPolarHBondContact CG1-O 3.22Å; T653-V679 HydrophobicContact CG2-CG2 4.15Å
680	T	83.1	Confident	62.7	Low	1 Å²	1	91.4 Å²	91.4	1%	0.006	54%	0.538	C	S	.	.	P	Polyproline II helix	trans	-67.4	140.4	175.8	50.3	0	0	0	0	110.4	L648 T649 S650 G651 V652 Y654 L678	L648-T680 HydrophobicContact CB-CG2 3.85Å; L648-T680 HydrophobicContact CD1-CG2 3.87Å; T649-T680 WeakPolarHBondContact O-CB 3.17Å; T649-T680 PolarHBondContact O-OG1 2.81Å; S650-T680 WeakPolarHBondContact CA-OG1 3.44Å; G651-T680 WeakPolarHBondContact CA-O 3.28Å; G651-T680 PolarHBondContact N-O 3.08Å; G651-T680 VanDerWaalsContact N-O 3.13Å; G651-T680 PolarHBondContact N-OG1 2.98Å; V652-T680 PolarHBondContact N-OG1 2.82Å; V652-T680 PolarHBondContact O-N 3.1Å; V652-T680 VanDerWaalsContact O-N 3.1Å; V652-T680 PolarHBondContact O-OG1 2.68Å; Y654-T680 HydrophobicContact CD2-CG2 4.12Å; Y654-T680 HydrophobicContact CE2-CG2 4.07Å; L678-T680 HydrophobicContact CD1-CG2 4.07Å
681	L	78.5	Confident	61.9	Low	96 Å²	96	95.9 Å²	95.9	50%	0.503	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-66.9	149.6	179.9	-62.7	179.9	0	0	0	110.6	V587 T588 S589 S650 G651	V587-L681 WeakPolarHBondContact O-CD1 3.41Å; T588-L681 PolarHBondContact O-N 3.15Å; S589-L681 VanDerWaalsContact CA-O 3.24Å; S589-L681 WeakPolarHBondContact CA-O 3.39Å; S589-L681 WeakPolarHBondContact CB-O 3.33Å; S650-L681 WeakPolarHBondContact CB-O 3.35Å; G651-L681 PolarHBondContact N-O 3Å
682	P	74.8	Confident	61	Low	100 Å²	100	98.5 Å²	98.5	65%	0.649	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-61.5	146.2	163	28.8	-34	0	0	0	109.3	A684	P682-A684 PolarHBondContact O-N 3.25Å; P682-A684 VanDerWaalsContact O-N 3.09Å
683	E	65.5	Low	60	Low	148 Å²	148	96.5 Å²	96.5	69%	0.692	58%	0.582	S	S	*	*			trans	-67.1	111.1	-177.3	-172.6	160.2	-125.2	0	0	111.2	A685	E683-A685 PolarHBondContact O-N 3.12Å; E683-A685 VanDerWaalsContact O-N 3.13Å
684	A	51.4	Low	59	Low	90 Å²	90	95.7 Å²	95.7	74%	0.744	58%	0.582	S	S	*	*			trans	-75.9	101.6	-179.2	0	0	0	0	0	110	P682 T686	P682-A684 PolarHBondContact O-N 3.25Å; P682-A684 VanDerWaalsContact O-N 3.09Å; A684-T686 PolarHBondContact O-N 3.05Å
685	A	43.2	Very low	57.7	Low	96 Å²	96	98.7 Å²	98.7	79%	0.793	61%	0.605	S	S	*	*			trans	-48.3	129.5	174.3	0	0	0	0	0	111.2	E683 R687	E683-A685 PolarHBondContact O-N 3.12Å; E683-A685 VanDerWaalsContact O-N 3.13Å; A685-R687 PolarHBondContact O-N 2.85Å
686	T	38.4	Very low	56.3	Low	142 Å²	142	100.4 Å²	100.4	87%	0.871	61%	0.61	S	S	*	*			trans	-62.1	128.6	-163.8	33.8	0	0	0	0	113.3	A684	A684-T686 PolarHBondContact O-N 3.05Å
687	R	44.8	Very low	54.8	Low	249 Å²	249	105.6 Å²	105.6	94%	0.94	64%	0.635	S	S	*	*			trans	-101.7	92.3	170.7	-86.6	-170.7	170.1	-174.1	-1.2	111.9	A685	A685-R687 PolarHBondContact O-N 2.85Å
688	Q	35.8	Very low	53.4	Low	197 Å²	197	109.5 Å²	109.5	92%	0.921	64%	0.637	S	S	*	*			trans	-149.8	138.8	148.7	-103.8	-178.1	-3.9	0	0	107.5
689	G	32.6	Very low	52.1	Low	79 Å²	79	113.9 Å²	113.9	81%	0.814	66%	0.66	S	S	*	*	S	Bend	trans	101.3	98.5	-176.3	0	0	0	0	0	113.4
690	S	34	Very low	51.1	Low	104 Å²	104	113.7 Å²	113.7	73%	0.727	66%	0.659	S	S	*	*			trans	-48	143.4	173.9	46.2	0	0	0	0	117.2
691	T	41.1	Very low	50.4	Low	137 Å²	137	117 Å²	117	84%	0.84	68%	0.68	S	S	*	*	S	Bend	trans	56.2	88.5	144	57.6	0	0	0	0	119.3
692	S	38.6	Very low	50.1	Low	77 Å²	77	116.5 Å²	116.5	54%	0.538	68%	0.68	S	S	.	*			trans	-162.8	-48.5	155	56.3	0	0	0	0	113.7	T694 S695	S692-T694 VanDerWaalsContact C-N 3.32Å; S692-T694 PolarHBondContact O-N 3.02Å; S692-S695 PolarHBondContact O-N 3.26Å
693	L	41.6	Very low	50.1	Low	136 Å²	136	116 Å²	116	71%	0.712	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	-0.7	-158.2	-88	157.5	0	0	0	118.5
694	T	43.7	Very low	50.4	Low	120 Å²	120	112.4 Å²	112.4	74%	0.736	66%	0.663	S	S	*	*	H	α-helix	trans	-78.8	-24.3	169.5	46.2	0	0	0	0	112.6	S692	S692-T694 VanDerWaalsContact C-N 3.32Å; S692-T694 PolarHBondContact O-N 3.02Å
695	S	48.7	Very low	51.9	Low	76 Å²	76	113.8 Å²	113.8	53%	0.531	66%	0.658	S	S	.	*	H	α-helix	trans	-72.4	-43.4	-178.7	-60.1	0	0	0	0	112.4	S692 L697 Q698 L699	S692-S695 PolarHBondContact O-N 3.26Å; S695-L697 PolarHBondContact O-N 3.04Å; S695-Q698 PolarHBondContact O-N 2.91Å; S695-L699 WeakPolarHBondContact O-CB 3.26Å; S695-L699 PolarHBondContact O-N 2.7Å
696	D	52.3	Low	53.7	Low	83 Å²	83	113 Å²	113	44%	0.444	64%	0.643	S	S	.	*	H	α-helix	trans	-70.8	-34	-171.3	-71.1	-39.6	0	0	0	113.8	Q698 L699 V700	D696-Q698 VanDerWaalsContact C-N 3.33Å; D696-L699 PolarHBondContact O-N 2.87Å; D696-V700 WeakPolarHBondContact O-CB 3.43Å; D696-V700 VanDerWaalsContact O-CG2 3.3Å; D696-V700 WeakPolarHBondContact O-CG2 3.07Å; D696-V700 PolarHBondContact O-N 3.28Å
697	L	52.5	Low	55.8	Low	128 Å²	128	107.9 Å²	107.9	67%	0.67	62%	0.618	S	S	*	*	H	α-helix	trans	-70.9	-32.3	176.3	-160.3	71.7	0	0	0	111.7	S695 T701	S695-L697 PolarHBondContact O-N 3.04Å; L697-T701 WeakPolarHBondContact O-CB 3.33Å; L697-T701 WeakPolarHBondContact O-CG2 3.42Å; L697-T701 PolarHBondContact O-N 2.99Å; L697-T701 PolarHBondContact O-OG1 3.06Å
698	Q	53.4	Low	57.5	Low	142 Å²	142	100.7 Å²	100.7	66%	0.664	60%	0.598	S	S	*	*	H	α-helix	trans	-70.6	-39.8	169.6	-70.9	-166.6	-21.2	0	0	111.5	S695 D696 T701 V702	S695-Q698 PolarHBondContact O-N 2.91Å; D696-Q698 VanDerWaalsContact C-N 3.33Å; Q698-T701 WeakPolarHBondContact CA-OG1 3.22Å; Q698-T701 PolarHBondContact O-N 3.04Å; Q698-T701 PolarHBondContact O-OG1 2.94Å; Q698-T701 VanDerWaalsContact O-OG1 3.11Å; Q698-V702 WeakPolarHBondContact O-CB 3.39Å; Q698-V702 VanDerWaalsContact O-CG2 3.27Å; Q698-V702 WeakPolarHBondContact O-CG2 3.33Å; Q698-V702 PolarHBondContact O-N 2.85Å
699	L	56.6	Low	59.8	Low	102 Å²	102	93.6 Å²	93.6	53%	0.534	57%	0.573	S	S	.	*	H	α-helix	trans	-63.6	-44.3	175.9	-173	63.1	0	0	0	111.6	S695 D696 V702 V703	S695-L699 WeakPolarHBondContact O-CB 3.26Å; S695-L699 PolarHBondContact O-N 2.7Å; D696-L699 PolarHBondContact O-N 2.87Å; L699-V702 PolarHBondContact O-N 3.15Å; L699-V703 HydrophobicContact CD1-CG2 4.3Å; L699-V703 HydrophobicContact CG-CG2 4.41Å; L699-V703 VanDerWaalsContact O-CB 3.29Å; L699-V703 WeakPolarHBondContact O-CB 3.4Å; L699-V703 WeakPolarHBondContact O-CG2 3.35Å; L699-V703 PolarHBondContact O-N 2.91Å
700	V	62.7	Low	62.3	Low	85 Å²	85	94.7 Å²	94.7	52%	0.515	56%	0.56	S	S	.	*	H	α-helix	trans	-67.1	-38.9	177.4	170.1	0	0	0	0	111.7	D696 T704	D696-V700 WeakPolarHBondContact O-CB 3.43Å; D696-V700 VanDerWaalsContact O-CG2 3.3Å; D696-V700 WeakPolarHBondContact O-CG2 3.07Å; D696-V700 PolarHBondContact O-N 3.28Å; V700-T704 WeakPolarHBondContact O-CB 3.26Å; V700-T704 WeakPolarHBondContact O-CG2 3.21Å; V700-T704 PolarHBondContact O-N 2.89Å; V700-T704 PolarHBondContact O-OG1 3.05Å
701	T	68.3	Low	64.6	Low	71 Å²	71	94.8 Å²	94.8	44%	0.436	55%	0.552	S	S	.	*	H	α-helix	trans	-69.9	-36	174.9	47	0	0	0	0	112.5	L697 Q698 T704 L705	L697-T701 WeakPolarHBondContact O-CB 3.33Å; L697-T701 WeakPolarHBondContact O-CG2 3.42Å; L697-T701 PolarHBondContact O-N 2.99Å; L697-T701 PolarHBondContact O-OG1 3.06Å; Q698-T701 WeakPolarHBondContact CA-OG1 3.22Å; Q698-T701 PolarHBondContact O-N 3.04Å; Q698-T701 PolarHBondContact O-OG1 2.94Å; Q698-T701 VanDerWaalsContact O-OG1 3.11Å; T701-T704 WeakPolarHBondContact CA-OG1 3.29Å; T701-T704 PolarHBondContact O-OG1 2.97Å; T701-L705 WeakPolarHBondContact O-CB 3.19Å; T701-L705 PolarHBondContact O-N 3.01Å
702	V	73	Confident	66.7	Low	84 Å²	84	93.9 Å²	93.9	51%	0.509	54%	0.541	S	S	.	.	H	α-helix	trans	-67.7	-45.3	171.6	169.6	0	0	0	0	111.5	Q698 L699 T704 L705 V706	Q698-V702 WeakPolarHBondContact O-CB 3.39Å; Q698-V702 VanDerWaalsContact O-CG2 3.27Å; Q698-V702 WeakPolarHBondContact O-CG2 3.33Å; Q698-V702 PolarHBondContact O-N 2.85Å; L699-V702 PolarHBondContact O-N 3.15Å; V702-T704 PolarHBondContact O-N 2.95Å; V702-L705 PolarHBondContact O-N 3.08Å; V702-V706 HydrophobicContact CG1-CG2 4.32Å; V702-V706 WeakPolarHBondContact O-CB 3.21Å; V702-V706 VanDerWaalsContact O-CG2 3.31Å; V702-V706 WeakPolarHBondContact O-CG2 3Å; V702-V706 PolarHBondContact O-N 3.47Å
703	V	73.6	Confident	68.9	Low	89 Å²	89	96 Å²	96	54%	0.539	55%	0.546	S	S	.	.	H	α-helix	trans	-64.8	-37.8	178.8	167.4	0	0	0	0	111.5	L699 G707	L699-V703 HydrophobicContact CD1-CG2 4.3Å; L699-V703 HydrophobicContact CG-CG2 4.41Å; L699-V703 VanDerWaalsContact O-CB 3.29Å; L699-V703 WeakPolarHBondContact O-CB 3.4Å; L699-V703 WeakPolarHBondContact O-CG2 3.35Å; L699-V703 PolarHBondContact O-N 2.91Å; V703-G707 PolarHBondContact O-N 2.71Å
704	T	73.2	Confident	70.9	Confident	73 Å²	73	93.6 Å²	93.6	45%	0.448	54%	0.537	S	S	.	.	H	α-helix	trans	-72.5	-34.6	173.9	50.2	0	0	0	0	112.6	V700 T701 V702 N708	V700-T704 WeakPolarHBondContact O-CB 3.26Å; V700-T704 WeakPolarHBondContact O-CG2 3.21Å; V700-T704 PolarHBondContact O-N 2.89Å; V700-T704 PolarHBondContact O-OG1 3.05Å; T701-T704 WeakPolarHBondContact CA-OG1 3.29Å; T701-T704 PolarHBondContact O-OG1 2.97Å; V702-T704 PolarHBondContact O-N 2.95Å; T704-N708 VanDerWaalsContact O-CB 3.31Å; T704-N708 WeakPolarHBondContact O-CB 3.45Å; T704-N708 PolarHBondContact O-N 2.8Å; T704-N708 PolarHBondContact O-ND2 2.84Å; T704-N708 VanDerWaalsContact O-ND2 3.16Å
705	L	81.2	Confident	72.9	Confident	120 Å²	120	92.4 Å²	92.4	63%	0.628	53%	0.525	S	S	*	.	H	α-helix	trans	-63.7	-45.4	169.5	-91.8	162.6	0	0	0	112.5	T701 V702 N708 A709	T701-L705 WeakPolarHBondContact O-CB 3.19Å; T701-L705 PolarHBondContact O-N 3.01Å; V702-L705 PolarHBondContact O-N 3.08Å; L705-N708 PolarHBondContact O-N 3.24Å; L705-A709 WeakPolarHBondContact O-CB 3.39Å; L705-A709 PolarHBondContact O-N 3Å
706	V	81.6	Confident	74.3	Confident	80 Å²	80	91.5 Å²	91.5	49%	0.485	52%	0.518	S	S	.	.	H	α-helix	trans	-64.6	-41.7	175.8	169.5	0	0	0	0	110.9	V702 A709 L710	V702-V706 HydrophobicContact CG1-CG2 4.32Å; V702-V706 WeakPolarHBondContact O-CB 3.21Å; V702-V706 VanDerWaalsContact O-CG2 3.31Å; V702-V706 WeakPolarHBondContact O-CG2 3Å; V702-V706 PolarHBondContact O-N 3.47Å; V706-A709 PolarHBondContact O-N 3.38Å; V706-L710 HydrophobicContact CG1-CD1 4.06Å; V706-L710 WeakPolarHBondContact O-CB 3.2Å; V706-L710 WeakPolarHBondContact O-CG 3.47Å; V706-L710 PolarHBondContact O-N 3.14Å
707	G	82.6	Confident	75.8	Confident	34 Å²	34	89.6 Å²	89.6	35%	0.351	52%	0.519	S	S	.	.	H	α-helix	trans	-60.5	-45.7	174	0	0	0	0	0	112.5	V703 L710 L711	V703-G707 PolarHBondContact O-N 2.71Å; G707-L710 PolarHBondContact O-N 3.08Å; G707-L711 WeakPolarHBondContact O-CB 3.49Å; G707-L711 PolarHBondContact O-N 3.02Å
708	N	80.1	Confident	77.3	Confident	97 Å²	97	87.7 Å²	87.7	52%	0.519	51%	0.508	S	S	.	.	H	α-helix	trans	-66.6	-38.3	175.8	-73.6	-28.9	0	0	0	112.3	T704 L705 L711 L712	T704-N708 VanDerWaalsContact O-CB 3.31Å; T704-N708 WeakPolarHBondContact O-CB 3.45Å; T704-N708 PolarHBondContact O-N 2.8Å; T704-N708 PolarHBondContact O-ND2 2.84Å; T704-N708 VanDerWaalsContact O-ND2 3.16Å; L705-N708 PolarHBondContact O-N 3.24Å; N708-L711 PolarHBondContact O-N 2.72Å; N708-L712 WeakPolarHBondContact O-CG 3.38Å; N708-L712 PolarHBondContact O-N 3.38Å
709	A	85.3	Confident	78.5	Confident	48 Å²	48	89.5 Å²	89.5	40%	0.397	51%	0.509	S	S	.	.	H	α-helix	trans	-64.6	-42.9	174.5	0	0	0	0	0	111.8	L705 V706 L712 L713	L705-A709 WeakPolarHBondContact O-CB 3.39Å; L705-A709 PolarHBondContact O-N 3Å; V706-A709 PolarHBondContact O-N 3.38Å; A709-L712 PolarHBondContact O-N 2.99Å; A709-L713 WeakPolarHBondContact O-CG 3.36Å; A709-L713 PolarHBondContact O-N 3.04Å
710	L	84.1	Confident	79.5	Confident	102 Å²	102	89 Å²	89	53%	0.534	51%	0.506	S	S	.	.	H	α-helix	trans	-62	-41.6	171.9	-80	166.1	0	0	0	111.8	V706 G707 L712 L713 V714	V706-L710 HydrophobicContact CG1-CD1 4.06Å; V706-L710 WeakPolarHBondContact O-CB 3.2Å; V706-L710 WeakPolarHBondContact O-CG 3.47Å; V706-L710 PolarHBondContact O-N 3.14Å; G707-L710 PolarHBondContact O-N 3.08Å; L710-L712 VanDerWaalsContact C-N 3.35Å; L710-L712 PolarHBondContact O-N 2.98Å; L710-L713 PolarHBondContact O-N 2.98Å; L710-V714 WeakPolarHBondContact O-CG2 3.41Å; L710-V714 PolarHBondContact O-N 2.95Å
711	L	83.3	Confident	80.2	Confident	107 Å²	107	86.9 Å²	86.9	56%	0.56	50%	0.502	S	S	*	.	H	α-helix	trans	-61.3	-43.6	176.2	-150.5	84.7	0	0	0	111.4	G707 N708 V714 I715	G707-L711 WeakPolarHBondContact O-CB 3.49Å; G707-L711 PolarHBondContact O-N 3.02Å; N708-L711 PolarHBondContact O-N 2.72Å; L711-V714 PolarHBondContact O-N 2.88Å; L711-I715 HydrophobicContact CD2-CD1 4.36Å; L711-I715 HydrophobicContact CG-CD1 4.33Å; L711-I715 WeakPolarHBondContact O-CB 3.39Å; L711-I715 WeakPolarHBondContact O-CD1 3.45Å; L711-I715 VanDerWaalsContact O-CG1 3.24Å; L711-I715 WeakPolarHBondContact O-CG1 3.19Å; L711-I715 PolarHBondContact O-N 2.79Å
712	L	85.3	Confident	80.4	Confident	118 Å²	118	92 Å²	92	62%	0.618	51%	0.513	S	S	*	.	H	α-helix	trans	-65.9	-37.3	175.5	-71.9	171	0	0	0	112.4	N708 A709 L710 I715 S716	N708-L712 WeakPolarHBondContact O-CG 3.38Å; N708-L712 PolarHBondContact O-N 3.38Å; A709-L712 PolarHBondContact O-N 2.99Å; L710-L712 VanDerWaalsContact C-N 3.35Å; L710-L712 PolarHBondContact O-N 2.98Å; L712-I715 PolarHBondContact O-N 3.19Å; L712-S716 WeakPolarHBondContact O-CB 3.42Å; L712-S716 PolarHBondContact O-N 2.96Å
713	L	83.8	Confident	80.3	Confident	120 Å²	120	89.9 Å²	89.9	63%	0.628	50%	0.502	S	S	*	.	H	α-helix	trans	-66.2	-39.5	172.8	-74.3	171.8	0	0	0	112.2	A709 L710 S716 G717	A709-L713 WeakPolarHBondContact O-CG 3.36Å; A709-L713 PolarHBondContact O-N 3.04Å; L710-L713 PolarHBondContact O-N 2.98Å; L713-S716 PolarHBondContact O-N 3.14Å; L713-G717 PolarHBondContact O-N 3.06Å
714	V	84.8	Confident	80.1	Confident	87 Å²	87	90.4 Å²	90.4	53%	0.527	50%	0.501	S	S	.	.	H	α-helix	trans	-66.2	-44	174.3	169.4	0	0	0	0	111.1	L710 L711 S716 G717 I718	L710-V714 WeakPolarHBondContact O-CG2 3.41Å; L710-V714 PolarHBondContact O-N 2.95Å; L711-V714 PolarHBondContact O-N 2.88Å; V714-S716 PolarHBondContact O-N 3.23Å; V714-G717 PolarHBondContact O-N 3.28Å; V714-I718 HydrophobicContact CG1-CD1 3.79Å; V714-I718 HydrophobicContact CG1-CG1 4.5Å; V714-I718 WeakPolarHBondContact O-CB 3.48Å; V714-I718 VanDerWaalsContact O-CG1 3.27Å; V714-I718 WeakPolarHBondContact O-CG1 3.4Å; V714-I718 PolarHBondContact O-N 2.92Å
715	I	84.8	Confident	79.8	Confident	94 Å²	94	95.1 Å²	95.1	48%	0.482	51%	0.511	S	S	.	.	H	α-helix	trans	-62.5	-43.3	175.2	-69.7	163.8	0	0	0	110.6	L711 L712 I718 W719	L711-I715 HydrophobicContact CD2-CD1 4.36Å; L711-I715 HydrophobicContact CG-CD1 4.33Å; L711-I715 WeakPolarHBondContact O-CB 3.39Å; L711-I715 WeakPolarHBondContact O-CD1 3.45Å; L711-I715 VanDerWaalsContact O-CG1 3.24Å; L711-I715 WeakPolarHBondContact O-CG1 3.19Å; L711-I715 PolarHBondContact O-N 2.79Å; L712-I715 PolarHBondContact O-N 3.19Å; I715-I718 PolarHBondContact O-N 3.17Å; I715-W719 VanDerWaalsContact O-CB 3.3Å; I715-W719 WeakPolarHBondContact O-CB 3.42Å; I715-W719 PolarHBondContact O-N 3Å
716	S	78.6	Confident	78.9	Confident	57 Å²	57	96.9 Å²	96.9	40%	0.399	51%	0.514	S	S	.	.	H	α-helix	trans	-62.1	-44.1	174.8	-174.6	0	0	0	0	111.8	L712 L713 V714 W719 L720	L712-S716 WeakPolarHBondContact O-CB 3.42Å; L712-S716 PolarHBondContact O-N 2.96Å; L713-S716 PolarHBondContact O-N 3.14Å; V714-S716 PolarHBondContact O-N 3.23Å; S716-W719 CarbonylContact O-C 3.56Å; S716-W719 PolarHBondContact O-N 2.99Å; S716-L720 WeakPolarHBondContact O-CD1 3.45Å; S716-L720 PolarHBondContact O-N 2.03Å
717	G	83.1	Confident	78	Confident	44 Å²	44	102.5 Å²	102.5	45%	0.454	53%	0.526	S	S	.	.	H	α-helix	trans	-63.3	-41.8	175.4	0	0	0	0	0	113.1	L713 V714 W719 G721	L713-G717 PolarHBondContact O-N 3.06Å; V714-G717 PolarHBondContact O-N 3.28Å; G717-W719 VanDerWaalsContact C-N 3.32Å; G717-W719 PolarHBondContact O-N 2.95Å; G717-G721 PolarHBondContact O-N 2.74Å
718	I	83.6	Confident	77	Confident	87 Å²	87	107.1 Å²	107.1	45%	0.446	54%	0.542	S	S	.	.	H	α-helix	trans	-65.2	-36.9	173.2	-69.5	166.1	0	0	0	110.8	V714 I715 R722	V714-I718 HydrophobicContact CG1-CD1 3.79Å; V714-I718 HydrophobicContact CG1-CG1 4.5Å; V714-I718 WeakPolarHBondContact O-CB 3.48Å; V714-I718 VanDerWaalsContact O-CG1 3.27Å; V714-I718 WeakPolarHBondContact O-CG1 3.4Å; V714-I718 PolarHBondContact O-N 2.92Å; I715-I718 PolarHBondContact O-N 3.17Å; I718-R722 VanDerWaalsContact O-CB 3.31Å; I718-R722 WeakPolarHBondContact O-CB 3.2Å; I718-R722 VanDerWaalsContact O-CG 3.28Å; I718-R722 WeakPolarHBondContact O-CG 3.22Å; I718-R722 PolarHBondContact O-N 2.57Å
719	W	79.9	Confident	75.9	Confident	181 Å²	181	108.7 Å²	108.7	69%	0.686	55%	0.547	S	S	*	.	H	α-helix	trans	-71.3	-45.4	177.6	-171.7	91.1	0	0	0	112.1	I715 S716 G717 R722 S723	I715-W719 VanDerWaalsContact O-CB 3.3Å; I715-W719 WeakPolarHBondContact O-CB 3.42Å; I715-W719 PolarHBondContact O-N 3Å; S716-W719 CarbonylContact O-C 3.56Å; S716-W719 PolarHBondContact O-N 2.99Å; G717-W719 VanDerWaalsContact C-N 3.32Å; G717-W719 PolarHBondContact O-N 2.95Å; W719-R722 PolarHBondContact O-N 3.41Å; W719-S723 VanDerWaalsContact O-CB 3.23Å; W719-S723 WeakPolarHBondContact O-CB 3.48Å; W719-S723 PolarHBondContact O-N 3.37Å
720	L	77.1	Confident	74.4	Confident	90 Å²	90	115.6 Å²	115.6	47%	0.471	57%	0.567	S	S	.	*	H	α-helix	trans	-58.6	-46.9	170	-100.3	87.8	0	0	0	110.8	S716 R722 S723 L724	S716-L720 WeakPolarHBondContact O-CD1 3.45Å; S716-L720 PolarHBondContact O-N 2.03Å; L720-R722 PolarHBondContact O-N 3.03Å; L720-S723 CarbonylContact O-C 3.04Å; L720-S723 WeakPolarHBondContact O-CA 3.35Å; L720-S723 WeakPolarHBondContact O-CB 3.41Å; L720-S723 PolarHBondContact O-N 3.38Å; L720-S723 VanDerWaalsContact O-N 3.07Å; L720-L724 WeakPolarHBondContact O-CD1 3.05Å; L720-L724 PolarHBondContact O-N 3.42Å
721	G	77.1	Confident	73	Confident	41 Å²	41	121.8 Å²	121.8	42%	0.423	58%	0.584	S	S	.	*	H	α-helix	trans	-59.5	-44	177.5	0	0	0	0	0	112.5	G717 S723 R725	G717-G721 PolarHBondContact O-N 2.74Å; G721-S723 VanDerWaalsContact C-N 3.35Å; G721-R725 WeakPolarHBondContact O-CB 3.49Å; G721-R725 PolarHBondContact O-N 2.84Å
722	R	73.3	Confident	71	Confident	178 Å²	178	125.7 Å²	125.7	67%	0.672	60%	0.596	S	S	*	*	H	α-helix	trans	-67.2	-32.6	172.9	-75.9	173.7	170.7	174.5	-2.5	112.6	I718 W719 L720 K726	I718-R722 VanDerWaalsContact O-CB 3.31Å; I718-R722 WeakPolarHBondContact O-CB 3.2Å; I718-R722 VanDerWaalsContact O-CG 3.28Å; I718-R722 WeakPolarHBondContact O-CG 3.22Å; I718-R722 PolarHBondContact O-N 2.57Å; W719-R722 PolarHBondContact O-N 3.41Å; L720-R722 PolarHBondContact O-N 3.03Å; R722-K726 WeakPolarHBondContact O-CB 3.35Å; R722-K726 WeakPolarHBondContact O-CG 3.22Å; R722-K726 PolarHBondContact O-N 3.35Å
723	S	69.7	Low	68.7	Low	40 Å²	40	125.1 Å²	125.1	28%	0.28	60%	0.602	S	S	.	*	H	α-helix	trans	-72.1	-46.2	177.3	-167.7	0	0	0	0	111.9	W719 L720 G721 K726 R727	W719-S723 VanDerWaalsContact O-CB 3.23Å; W719-S723 WeakPolarHBondContact O-CB 3.48Å; W719-S723 PolarHBondContact O-N 3.37Å; L720-S723 CarbonylContact O-C 3.04Å; L720-S723 WeakPolarHBondContact O-CA 3.35Å; L720-S723 WeakPolarHBondContact O-CB 3.41Å; L720-S723 PolarHBondContact O-N 3.38Å; L720-S723 VanDerWaalsContact O-N 3.07Å; G721-S723 VanDerWaalsContact C-N 3.35Å; S723-K726 PolarHBondContact O-N 3.22Å; S723-R727 WeakPolarHBondContact O-CG 3.27Å; S723-R727 PolarHBondContact O-N 2.9Å
724	L	69.3	Low	66.7	Low	100 Å²	100	123.9 Å²	123.9	52%	0.524	61%	0.609	S	S	.	*	H	α-helix	trans	-60.4	-45.8	170.1	-92.8	78.6	0	0	0	110.8	L720 K726 R727 L728	L720-L724 WeakPolarHBondContact O-CD1 3.05Å; L720-L724 PolarHBondContact O-N 3.42Å; L724-K726 VanDerWaalsContact C-N 3.32Å; L724-K726 PolarHBondContact O-N 2.84Å; L724-R727 CarbonylContact O-C 3.6Å; L724-R727 PolarHBondContact O-N 3.04Å; L724-R727 VanDerWaalsContact O-N 3.1Å; L724-L728 WeakPolarHBondContact O-CB 3.25Å; L724-L728 WeakPolarHBondContact O-CG 3.11Å; L724-L728 PolarHBondContact O-N 2.93Å
725	R	66.4	Low	64.5	Low	172 Å²	172	127 Å²	127	65%	0.649	63%	0.628	S	S	*	*	H	α-helix	trans	-60.1	-40.7	177.1	-164.1	173.2	-173.7	174.3	2.5	111.7	G721 L728 Q729	G721-R725 WeakPolarHBondContact O-CB 3.49Å; G721-R725 PolarHBondContact O-N 2.84Å; R725-L728 PolarHBondContact O-N 2.94Å; R725-Q729 WeakPolarHBondContact O-CB 3.3Å; R725-Q729 VanDerWaalsContact O-CG 3.3Å; R725-Q729 WeakPolarHBondContact O-CG 3.35Å; R725-Q729 PolarHBondContact O-N 3.15Å
726	K	62.7	Low	62.2	Low	157 Å²	157	130.2 Å²	130.2	68%	0.683	64%	0.641	S	S	*	*	H	α-helix	trans	-66.8	-36.7	171.9	-80.3	-175.9	174.2	-175.7	0	113.5	R722 S723 L724 K730	R722-K726 WeakPolarHBondContact O-CB 3.35Å; R722-K726 WeakPolarHBondContact O-CG 3.22Å; R722-K726 PolarHBondContact O-N 3.35Å; S723-K726 PolarHBondContact O-N 3.22Å; L724-K726 VanDerWaalsContact C-N 3.32Å; L724-K726 PolarHBondContact O-N 2.84Å; K726-K730 PolarHBondContact O-N 3.43Å
727	R	63.6	Low	60.2	Low	198 Å²	198	133.3 Å²	133.3	75%	0.747	66%	0.657	S	S	*	*	H	α-helix	trans	-68.3	-37	174.3	-75.3	-175.1	176.7	-156.7	-0.8	112.2	S723 L724	S723-R727 WeakPolarHBondContact O-CG 3.27Å; S723-R727 PolarHBondContact O-N 2.9Å; L724-R727 CarbonylContact O-C 3.6Å; L724-R727 PolarHBondContact O-N 3.04Å; L724-R727 VanDerWaalsContact O-N 3.1Å
728	L	60.6	Low	57.9	Low	132 Å²	132	139.5 Å²	139.5	69%	0.691	67%	0.667	S	S	*	*	H	α-helix	trans	-73	-40.7	175.7	-72.2	164.1	0	0	0	112.2	L724 R725 K730 R731	L724-L728 WeakPolarHBondContact O-CB 3.25Å; L724-L728 WeakPolarHBondContact O-CG 3.11Å; L724-L728 PolarHBondContact O-N 2.93Å; R725-L728 PolarHBondContact O-N 2.94Å; L728-K730 VanDerWaalsContact C-N 3.25Å; L728-K730 PolarHBondContact O-N 3.4Å; L728-R731 PolarHBondContact O-N 2.68Å
729	Q	58.1	Low	55.6	Low	130 Å²	130	141.7 Å²	141.7	61%	0.607	68%	0.675	S	S	*	*	H	α-helix	trans	-69.3	-19.7	176.2	-73.9	179.4	-61.2	0	0	113.4	R725 R731	R725-Q729 WeakPolarHBondContact O-CB 3.3Å; R725-Q729 VanDerWaalsContact O-CG 3.3Å; R725-Q729 WeakPolarHBondContact O-CG 3.35Å; R725-Q729 PolarHBondContact O-N 3.15Å; Q729-R731 PolarHBondContact O-N 3.27Å
730	K	53.3	Low	53.3	Low	192 Å²	192	139.4 Å²	139.4	84%	0.835	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	4.2	171.6	-93.9	-167.4	172.3	-166.6	0	115.1	K726 L728	K726-K730 PolarHBondContact O-N 3.43Å; L728-K730 VanDerWaalsContact C-N 3.25Å; L728-K730 PolarHBondContact O-N 3.4Å
731	R	54.7	Low	51.3	Low	232 Å²	232	145 Å²	145	88%	0.875	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.4	10.5	177.7	-90.4	-170.6	172.3	-170	-1.9	116	L728 Q729	L728-R731 PolarHBondContact O-N 2.68Å; Q729-R731 PolarHBondContact O-N 3.27Å
732	K	40.4	Very low	49.2	Very low	189 Å²	189	147.2 Å²	147.2	82%	0.822	70%	0.699	S	S	*	*	S	Bend	trans	-132.9	137	168.4	-68.9	-166.1	175.6	-171.9	0	113
733	S	39	Very low	47.3	Very low	106 Å²	106	144.5 Å²	144.5	74%	0.741	70%	0.702	S	S	*	*			trans	-33.8	140.5	170.8	46.5	0	0	0	0	114.9
734	A	40.7	Very low	45.6	Very low	95 Å²	95	154 Å²	154	79%	0.785	73%	0.732	S	S	*	*			cis	68.7	95.2	33.6	0	0	0	0	0	115.1
735	V	38.1	Very low	43.9	Very low	152 Å²	152	160.7 Å²	160.7	92%	0.921	75%	0.75	S	S	*	*			trans	-140.8	157.3	154.9	176.5	0	0	0	0	107.7
736	H	36.4	Very low	43.4	Very low	162 Å²	162	157.2 Å²	157.2	75%	0.75	75%	0.749	S	S	*	*			trans	-116.3	-156.5	-166.4	-174.3	63.1	0	0	0	111.8	R738	H736-R738 WeakPolarHBondContact NE2-CD 3.36Å; H736-R738 VanDerWaalsContact NE2-CZ 3.31Å; H736-R738 PolarHBondContact NE2-NE 2.65Å; H736-R738 PolarHBondContact NE2-NH2 2.69Å
737	V	36.6	Very low	42	Very low	121 Å²	121	159.1 Å²	159.1	73%	0.733	76%	0.758	S	S	*	*			trans	92.3	112.4	175.6	-175.7	0	0	0	0	112.3
738	R	36.4	Very low	40.7	Very low	174 Å²	174	158.9 Å²	158.9	66%	0.657	76%	0.757	S	S	*	*				76.6	143.8	53	-68.8	177.1	171.8	-162.4	6	112.3	H736	H736-R738 WeakPolarHBondContact NE2-CD 3.36Å; H736-R738 VanDerWaalsContact NE2-CZ 3.31Å; H736-R738 PolarHBondContact NE2-NE 2.65Å; H736-R738 PolarHBondContact NE2-NH2 2.69Å
739	H	35.2	Very low	40.1	Very low	134 Å²	134	157.8 Å²	157.8	62%	0.62	76%	0.758	S	S	*	*			cis	-161.6	156.8	7.1	-113.7	-45.6	0	0	0	111.8
740	M	31.1	Very low	39.1	Very low	133 Å²	133	156.9 Å²	156.9	66%	0.655	76%	0.761	S	S	*	*			trans	71.1	127	137.2	-68.6	160.5	86.4	0	0	125
741	Y	34.2	Very low	38.4	Very low	208 Å²	208	154.5 Å²	154.5	82%	0.816	76%	0.763	S	S	*	*			trans	57	156.3	133.6	-63.4	-50	0	0	0	122.4
742	S	33.8	Very low	37.5	Very low	87 Å²	87	147.7 Å²	147.7	61%	0.608	76%	0.756	S	S	*	*			cis	-170.9	153.3	-15.9	175.2	0	0	0	0	113.7
743	T	33.9	Very low	37.2	Very low	120 Å²	120	143 Å²	143	74%	0.736	75%	0.752	S	S	*	*			trans	71.1	138.5	147.1	34.5	0	0	0	0	126.5
744	R	32.2	Very low	36.9	Very low	241 Å²	241	144.1 Å²	144.1	91%	0.909	76%	0.755	S	S	*	*			trans	95.5	158.5	141.7	-81.1	177.8	-179.3	-159.3	0.8	121.7
745	R	35.5	Very low	36.5	Very low	239 Å²	239	145 Å²	145	90%	0.902	76%	0.756	S	S	*	*			trans	-119.3	-161.9	-173.5	-34.3	169.7	175.5	171.5	-5.1	109
746	P	55.8	Low	36.3	Very low	99 Å²	99	144.1 Å²	144.1	64%	0.643	75%	0.75	S	S	*	*			cis	-131.4	-173.4	-25.7	38.3	-21.1	0	0	0	112.8
747	F	31.9	Very low	36.1	Very low	198 Å²	198	140.9 Å²	140.9	87%	0.868	75%	0.746	S	S	*	*				-178.5	176.4	118.7	-112.2	-85.9	0	0	0	113.7
748	R	36.4	Very low	35.9	Very low	193 Å²	193	140.8 Å²	140.8	73%	0.728	75%	0.745	S	S	*	*			trans	-126.5	169.7	175.7	-123.5	-177.1	-172.6	-173	0.9	107
749	P	48.9	Very low	35.7	Very low	109 Å²	109	138.8 Å²	138.8	71%	0.708	75%	0.748	S	S	*	*				-155.8	159.8	60.7	50.6	-29.8	0	0	0	114.6
750	T	37.5	Very low	35.5	Very low	110 Å²	110	140.9 Å²	140.9	68%	0.675	76%	0.755	S	S	*	*				93.2	128.9	79.5	65.4	0	0	0	0	120.2
751	V	37.1	Very low	35.7	Very low	143 Å²	143	140 Å²	140	87%	0.867	76%	0.758	S	S	*	*				86.7	149.6	129	162.8	0	0	0	0	122.6
752	A	37.2	Very low	35.5	Very low	89 Å²	89	134.9 Å²	134.9	74%	0.736	75%	0.752	S	S	*	*			trans	111.7	85.6	154.8	0	0	0	0	0	121
753	A	32.3	Very low	35.4	Very low	89 Å²	89	141.7 Å²	141.7	74%	0.736	77%	0.766	S	S	*	*				52.2	109.2	110.1	0	0	0	0	0	123.8
754	T	33.1	Very low	35.5	Very low	131 Å²	131	144.6 Å²	144.6	80%	0.804	77%	0.772	S	S	*	*				32	124.1	122.9	58.8	0	0	0	0	123.1
755	S	33.8	Very low	35.5	Very low	114 Å²	114	139 Å²	139	80%	0.797	77%	0.769	S	S	*	*				-173.7	126	124.1	19.9	0	0	0	0	110.9
756	V	32.9	Very low	35.4	Very low	132 Å²	132	133.5 Å²	133.5	80%	0.8	77%	0.767	S	S	*	*				87.9	101.2	88.2	174.8	0	0	0	0	115.1
757	S	31.7	Very low	34.3	Very low	95 Å²	95	138.8 Å²	138.8	66%	0.664	77%	0.774	S	S	*	*			trans	51.1	135.8	133	-51.7	0	0	0	0	124.5
758	T	32.9	Very low	34.1	Very low	118 Å²	118	135 Å²	135	72%	0.724	77%	0.773	S	S	*	*			trans	61.6	147.4	136.8	56.8	0	0	0	0	119.8
759	D	32.9	Very low	34.1	Very low	133 Å²	133	129.5 Å²	129.5	71%	0.711	77%	0.768	S	S	*	*			cis	-166.7	-166	-12.2	-107.9	-19.7	0	0	0	108.8
760	F	29.5	Very low	33.4	Very low	177 Å²	177	134.2 Å²	134.2	78%	0.776	77%	0.772	S	S	*	*			trans	83.7	96.1	158.7	-79.1	-85.7	0	0	0	120.8
761	T	36	Very low	33.1	Very low	115 Å²	115	136 Å²	136	71%	0.706	78%	0.776	S	S	*	*				50.2	124.2	124.8	62.9	0	0	0	0	119.4
762	S	30.7	Very low	33.1	Very low	100 Å²	100	133.5 Å²	133.5	70%	0.699	77%	0.771	S	S	*	*				173.6	152.2	56.2	41.3	0	0	0	0	111.1
763	Y	32.2	Very low	33.5	Very low	230 Å²	230	135 Å²	135	90%	0.902	77%	0.773	S	S	*	*				-172	165.7	115.8	-116.5	-91.6	0	0	0	109.7
764	Q	33.9	Very low	33.5	Very low	182 Å²	182	138.1 Å²	138.1	85%	0.85	78%	0.777	S	S	*	*			trans	-119.5	171.2	-165.8	-77.1	-167.4	-3.8	0	0	115.5
765	S	32.8	Very low	33.3	Very low	123 Å²	123	139.9 Å²	139.9	86%	0.86	78%	0.776	S	S	*	*			trans	101.7	143.5	162.1	80.7	0	0	0	0	115.7
766	S	33.3	Very low	33.2	Very low	123 Å²	123	143.5 Å²	143.5	86%	0.86	78%	0.78	S	S	*	*			cis	-135.4	176.5	-1.5	56.6	0	0	0	0	111.8
767	R	33.1	Very low	33	Very low	210 Å²	210	141 Å²	141	79%	0.792	78%	0.782	S	S	*	*			trans	-146.7	131.8	-164.2	-160.4	-168.4	-156.6	-173.6	10.4	114.2
768	S	28.4	Very low	32.8	Very low	120 Å²	120	144.2 Å²	144.2	84%	0.839	79%	0.791	S	S	*	*			trans	-153.6	121	144.3	-70.5	0	0	0	0	107
769	A	36	Very low	32.5	Very low	76 Å²	76	145.8 Å²	145.8	63%	0.628	79%	0.794	S	S	*	*			cis	82.5	135.1	34.1	0	0	0	0	0	112.7
770	R	34.9	Very low	32.3	Very low	209 Å²	209	146.3 Å²	146.3	79%	0.789	80%	0.796	S	S	*	*			cis	-164.6	175.1	10.6	-143	173.4	-175.3	169.7	-1.7	114
771	L	29.9	Very low	32	Very low	146 Å²	146	145.9 Å²	145.9	76%	0.764	80%	0.796	S	S	*	*			trans	91.1	90.6	154.3	-68.5	158	0	0	0	119.9
772	A	37.4	Very low	31.6	Very low	92 Å²	92	149.9 Å²	149.9	76%	0.76	80%	0.804	S	S	*	*				-101.6	172.6	114.5	0	0	0	0	0	108.5
773	P	45.2	Very low	32.5	Very low	119 Å²	119	150.4 Å²	150.4	77%	0.773	81%	0.805	S	S	*	*				-143.9	174.9	117.3	39.7	-26.8	0	0	0	115
774	L	32.1	Very low	32.2	Very low	156 Å²	156	145.7 Å²	145.7	82%	0.817	81%	0.805	S	S	*	*			trans	-98.8	174.1	169.9	-77.3	144.8	0	0	0	111.2
775	E	30.8	Very low	32.2	Very low	168 Å²	168	144.7 Å²	144.7	79%	0.785	81%	0.805	S	S	*	*				121.7	146.6	122	-118.6	165	-159.2	0	0	120.1
776	E	31.2	Very low	32	Very low	189 Å²	189	150.5 Å²	150.5	88%	0.883	81%	0.808	S	S	*	*			trans	60.9	142.7	164.2	-55.7	-168.5	130.5	0	0	122.2
777	G	28.9	Very low	31.8	Very low	81 Å²	81	153.5 Å²	153.5	84%	0.835	81%	0.806	S	S	*	*			trans	149.1	108.4	169.7	0	0	0	0	0	115.4
778	D	26.1	Very low	31.7	Very low	162 Å²	162	151.3 Å²	151.3	87%	0.866	81%	0.809	S	S	*	*			trans	-87	176.4	178.1	-89.6	-52.5	0	0	0	114.6
779	L	28.3	Very low	31.6	Very low	150 Å²	150	151.4 Å²	151.4	79%	0.785	80%	0.8	S	S	*	*			trans	98.1	90.5	157.4	-56.6	172	0	0	0	120.4
780	I	27.7	Very low	31.1	Very low	145 Å²	145	153.8 Å²	153.8	74%	0.744	81%	0.812	S	S	*	*				59.4	139.9	108.1	-64.8	175.9	0	0	0	121.5
781	E	24.2	Very low	30.7	Very low	168 Å²	168	150.3 Å²	150.3	79%	0.785	82%	0.818	S	S	*	*			trans	81.8	90.5	158.8	-86.9	174.1	-179.1	0	0	123.2
782	F	27	Very low	30.5	Very low	198 Å²	198	147.1 Å²	147.1	87%	0.868	82%	0.821	S	S	*	*				63.9	169.7	109.7	-86.5	-50.6	0	0	0	121.5
783	P	49.9	Very low	30.1	Very low	112 Å²	112	149 Å²	149	73%	0.727	82%	0.823	S	S	*	*			trans	-113.4	172.6	-132.2	43.7	-34.7	0	0	0	115.3
784	C	26.1	Very low	29.2	Very low	131 Å²	131	154.3 Å²	154.3	89%	0.885	83%	0.827	S	S	*	*			trans	-139.3	134	158.8	-90.2	0	0	0	0	111.5
785	D	32.8	Very low	29	Very low	161 Å²	161	156.9 Å²	156.9	86%	0.861	83%	0.826	S	S	*	*			trans	-67.3	143.2	159.1	-66.9	-74.7	0	0	0	110.9
786	R	28.1	Very low	28.9	Very low	244 Å²	244	154.9 Å²	154.9	92%	0.921	82%	0.821	S	S	*	*			trans	-162.7	143.9	135.2	-119.2	167.6	-179	157	1.2	116.5
787	F	30.1	Very low	28.6	Very low	186 Å²	186	151.5 Å²	151.5	82%	0.816	82%	0.818	S	S	*	*			trans	-48.1	147.8	157.2	-80.7	-121.5	0	0	0	112.6
788	L	29.9	Very low	28.6	Very low	165 Å²	165	155.4 Å²	155.4	86%	0.864	82%	0.82	S	S	*	*				-167.9	159.2	105.7	-103.7	168.1	0	0	0	113.4
789	D	26.9	Very low	28.6	Very low	121 Å²	121	155.1 Å²	155.1	65%	0.647	82%	0.815	S	S	*	*			trans	-80.1	158.5	177.4	-56.6	-91.7	0	0	0	113.2
790	S	25.8	Very low	28.6	Very low	126 Å²	126	155.1 Å²	155.1	88%	0.881	81%	0.811	S	S	*	*			trans	-158.6	134.7	145.4	-84.4	0	0	0	0	112.1
791	C	26.3	Very low	28.6	Very low	136 Å²	136	157.8 Å²	157.8	92%	0.919	81%	0.812	S	S	*	*			trans	-93.4	142.4	171.8	-66.4	0	0	0	0	110.2
792	G	26.3	Very low	28.8	Very low	79 Å²	79	158.1 Å²	158.1	81%	0.814	81%	0.811	S	S	*	*			trans	-157.1	45.1	-168.3	0	0	0	0	0	117.1
793	V	28.6	Very low	29	Very low	133 Å²	133	152.9 Å²	152.9	81%	0.806	80%	0.799	S	S	*	*			trans	-16	122.6	170.4	-175	0	0	0	0	117.7
794	R	26.3	Very low	28.3	Very low	229 Å²	229	158.4 Å²	158.4	86%	0.864	82%	0.822	S	S	*	*				-175.1	124.5	126.5	-104.6	167.7	-170.9	-175.4	3.7	116.3
795	R	28.3	Very low	28.4	Very low	211 Å²	211	159.8 Å²	159.8	80%	0.796	82%	0.819	S	S	*	*			trans	58.1	123.3	135.2	-83.8	-169.8	158.7	169.5	1.4	124.2
796	D	27.2	Very low	28.2	Very low	126 Å²	126	159.7 Å²	159.7	67%	0.674	82%	0.817	S	S	*	*				89	154.3	125	-59.9	-12.9	0	0	0	122.3
797	S	26.3	Very low	28.2	Very low	117 Å²	117	155 Å²	155	82%	0.818	81%	0.811	S	S	*	*			trans	86	118.7	170.2	-35.5	0	0	0	0	118.1
798	N	28.4	Very low	28.1	Very low	164 Å²	164	153.2 Å²	153.2	88%	0.877	81%	0.811	S	S	*	*			trans	-72.5	158.6	154.3	-70.4	-46.8	0	0	0	110.4
799	M	25.2	Very low	28	Very low	155 Å²	155	152.4 Å²	152.4	76%	0.764	81%	0.808	S	S	*	*				123.4	130.5	129.1	-160.1	156.2	73.1	0	0	117.5
800	Q	28.2	Very low	28.1	Very low	151 Å²	151	154.5 Å²	154.5	71%	0.706	82%	0.818	S	S	*	*			trans	62.8	111.4	155.1	-79	168	0.5	0	0	121.3
801	R	27.8	Very low	28.2	Very low	200 Å²	200	156.6 Å²	156.6	76%	0.755	81%	0.814	S	S	*	*				53.6	115.6	108.9	-167.2	-167.3	-149	178.2	6.9	117.7
802	F	29.9	Very low	28.4	Very low	176 Å²	176	158.2 Å²	158.2	77%	0.772	81%	0.806	S	S	*	*				-165.8	175.5	107.1	-108.7	-74	0	0	0	111.7
803	S	29.9	Very low	28.5	Very low	87 Å²	87	164.8 Å²	164.8	61%	0.608	81%	0.805	S	S	*	*			trans	-72.7	169	163.1	56.9	0	0	0	0	109.3
804	D	36.3	Very low	28.5	Very low	228 Å²	228	167.6 Å²	167.6	100%	1.219	81%	0.805	S	S	*	*			cis	-135	0	36.8	-57.2	-38.1	0	0	0	114.4

Retrieved 804 of 804 residues in 140 ms (Link to these results)

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