A0A087YNI1_POEFO Loading...

Striatin

AlphaFold DB , UniProt , Accession A0A087YNI1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 778 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.4	Very low	35.6	Very low	237 Å²	237	153.4 Å²	153.4	100%	1.167	87%	0.871	S	S	*	*				0	111.1	0	-87.3	-176	170.1	0	0	105.4
2	D	37.1	Very low	35.1	Very low	158 Å²	158	152 Å²	152	85%	0.845	86%	0.86	S	S	*	*			trans	-83.9	168.4	-165.8	-43	-89.5	0	0	0	107.7
3	E	41.8	Very low	34.6	Very low	197 Å²	197	151.2 Å²	151.2	92%	0.921	85%	0.852	S	S	*	*				-158.3	-179.3	63.1	-145.3	174.8	171.1	0	0	112.2
4	Q	39.7	Very low	34.3	Very low	188 Å²	188	150.7 Å²	150.7	88%	0.879	85%	0.846	S	S	*	*			trans	-145.9	111.4	-160.7	179.6	-176.6	20.9	0	0	112.4
5	A	33.5	Very low	34.1	Very low	108 Å²	108	150 Å²	150	89%	0.893	84%	0.84	S	S	*	*			trans	-162.9	150.8	165.4	0	0	0	0	0	113.2
6	G	32.8	Very low	33.8	Very low	72 Å²	72	150.1 Å²	150.1	74%	0.742	84%	0.838	S	S	*	*			trans	-136.9	-147.7	161.8	0	0	0	0	0	108.5
7	P	50.9	Low	33.7	Very low	133 Å²	133	147 Å²	147	86%	0.864	83%	0.829	S	S	*	*			cis	-126.8	167.3	-20.1	39.3	-25	0	0	0	113.1
8	G	28.6	Very low	33.6	Very low	79 Å²	79	147 Å²	147	81%	0.814	83%	0.832	S	S	*	*			trans	-110.1	94.5	-178.4	0	0	0	0	0	114.7
9	V	33.5	Very low	33.5	Very low	119 Å²	119	148.1 Å²	148.1	72%	0.721	83%	0.834	S	S	*	*			trans	-12.4	121.6	173.1	-176.4	0	0	0	0	118	F11	V9-F11 HydrophobicContact CG1-CD2 4.37Å; V9-F11 HydrophobicContact CG1-CE2 4.19Å
10	F	28.7	Very low	33.4	Very low	196 Å²	196	145.9 Å²	145.9	86%	0.86	84%	0.836	S	S	*	*			trans	-73.4	142.2	161.1	-75.2	-102.8	0	0	0	111.5
11	F	30.2	Very low	33.3	Very low	200 Å²	200	143 Å²	143	88%	0.877	84%	0.837	S	S	*	*			trans	-110.1	102.2	154.3	-88.2	-79.5	0	0	0	109.8	V9	V9-F11 HydrophobicContact CG1-CD2 4.37Å; V9-F11 HydrophobicContact CG1-CE2 4.19Å
12	N	29.6	Very low	33.1	Very low	137 Å²	137	135.9 Å²	135.9	73%	0.733	83%	0.825	S	S	*	*			trans	-98.4	134.9	166.5	-173.8	19.9	0	0	0	108
13	N	27.6	Very low	32.8	Very low	142 Å²	142	132.3 Å²	132.3	76%	0.759	83%	0.826	S	S	*	*			trans	-146.5	63.7	173.2	-156	27.6	0	0	0	111.8
14	N	31.6	Very low	32.3	Very low	144 Å²	144	133.5 Å²	133.5	77%	0.77	83%	0.828	S	S	*	*			trans	-72.1	136.7	161.4	-173	12.6	0	0	0	109
15	N	31	Very low	32	Very low	140 Å²	140	128 Å²	128	75%	0.749	82%	0.821	S	S	*	*			trans	-144.2	102	-176.1	-150.6	3.3	0	0	0	111.9
16	N	29.3	Very low	32.3	Very low	151 Å²	151	129.1 Å²	129.1	81%	0.807	82%	0.82	S	S	*	*			trans	-136.4	150.5	163.1	-164	4.8	0	0	0	108.9
17	S	32.1	Very low	32.5	Very low	98 Å²	98	133.2 Å²	133.2	69%	0.685	82%	0.824	S	S	*	*			trans	-98.5	139.6	-153.1	59.3	0	0	0	0	115.8
18	V	31.6	Very low	32.3	Very low	147 Å²	147	132 Å²	132	89%	0.891	82%	0.815	S	S	*	*			trans	-138.6	143.2	148.7	-178.6	0	0	0	0	109.1
19	L	31.1	Very low	32.6	Very low	167 Å²	167	135.3 Å²	135.3	87%	0.874	82%	0.815	S	S	*	*			trans	-105.6	139.6	177.7	-87.4	165.9	0	0	0	112.2
20	A	33	Very low	32.5	Very low	104 Å²	104	133.5 Å²	133.5	86%	0.86	82%	0.82	S	S	*	*			trans	-146.4	146.8	150.2	0	0	0	0	0	107.4
21	G	30.9	Very low	32.8	Very low	85 Å²	85	132 Å²	132	88%	0.876	82%	0.821	S	S	*	*			trans	-140	170.7	-166.6	0	0	0	0	0	115.7
22	G	30.1	Very low	33.1	Very low	88 Å²	88	126.5 Å²	126.5	91%	0.907	81%	0.812	S	S	*	*			trans	129	108.8	169.6	0	0	0	0	0	114.4
23	G	30.5	Very low	33.4	Very low	83 Å²	83	124 Å²	124	86%	0.856	82%	0.818	S	S	*	*			trans	170.5	131.7	171.8	0	0	0	0	0	112.3
24	K	32.7	Very low	34	Very low	222 Å²	222	126.3 Å²	126.3	97%	0.965	83%	0.825	S	S	*	*			trans	-110.4	139.9	177.9	-64.8	177.7	179.4	176.9	0	110.6
25	G	32	Very low	34.6	Very low	72 Å²	72	123.7 Å²	123.7	74%	0.742	82%	0.824	S	S	*	*			trans	179.9	133	167.9	0	0	0	0	0	111.6
26	P	41.6	Very low	35.3	Very low	132 Å²	132	121.8 Å²	121.8	86%	0.857	83%	0.827	S	S	*	*			trans	-96.7	170.2	-172.9	37.7	-36	0	0	0	115.2
27	L	37	Very low	36.4	Very low	159 Å²	159	125.9 Å²	125.9	83%	0.832	83%	0.831	S	S	*	*			trans	-60.4	166.5	172.2	-61	158.2	0	0	0	112.9
28	P	46.4	Very low	37.6	Very low	106 Å²	106	124 Å²	124	69%	0.688	82%	0.821	S	S	*	*				-134.8	153.7	86.6	36.6	-24.8	0	0	0	115.8
29	D	33.3	Very low	39	Very low	150 Å²	150	126 Å²	126	80%	0.802	82%	0.821	S	S	*	*			trans	29.4	126.6	139.3	-39.8	-32	0	0	0	118.5
30	G	33.2	Very low	40.7	Very low	80 Å²	80	127 Å²	127	83%	0.825	82%	0.815	S	S	*	*				113.1	145.8	55.5	0	0	0	0	0	107.9
31	D	34.6	Very low	43.1	Very low	166 Å²	166	125.2 Å²	125.2	89%	0.888	80%	0.796	S	S	*	*			cis	-153.1	-173.5	9.8	179.6	28.9	0	0	0	109
32	A	36.6	Very low	45.4	Very low	83 Å²	83	127.2 Å²	127.2	69%	0.686	79%	0.785	S	S	*	*			trans	71.6	63.9	166.6	0	0	0	0	0	117.2	E34	A32-E34 PolarHBondContact O-N 2.74Å
33	G	34.5	Very low	48	Very low	84 Å²	84	127.6 Å²	127.6	87%	0.866	77%	0.772	S	S	*	*			trans	-73.9	101.1	164.1	0	0	0	0	0	112.6	A35	G33-A35 PolarHBondContact O-N 3.23Å; G33-A35 VanDerWaalsContact O-N 3.17Å
34	E	40.9	Very low	50.4	Low	191 Å²	191	125.4 Å²	125.4	89%	0.893	75%	0.749	S	S	*	*			trans	-71.6	105.1	167.4	-172.7	167.4	-140.9	0	0	109.5	A32 A36	A32-E34 PolarHBondContact O-N 2.74Å; E34-A36 PolarHBondContact O-N 3.34Å
35	A	44.4	Very low	53.1	Low	90 Å²	90	118.2 Å²	118.2	74%	0.744	72%	0.72	S	S	*	*			trans	-69.1	95.8	-175.6	0	0	0	0	0	111.3	G33 R37	G33-A35 PolarHBondContact O-N 3.23Å; G33-A35 VanDerWaalsContact O-N 3.17Å; A35-R37 PolarHBondContact O-N 2.94Å
36	A	45.7	Very low	55.7	Low	100 Å²	100	119.8 Å²	119.8	83%	0.826	71%	0.711	S	S	*	*			trans	-59.1	92.2	177.8	0	0	0	0	0	111.6	E34 A38	E34-A36 PolarHBondContact O-N 3.34Å; A36-A38 PolarHBondContact O-N 3.13Å; A36-A38 VanDerWaalsContact O-N 3.07Å
37	R	52.4	Low	57.7	Low	236 Å²	236	119.8 Å²	119.8	89%	0.891	70%	0.7	S	S	*	*			trans	-60.4	111.2	170.8	-82.9	179.4	164	163.4	-4.6	109.1	A35 Q39	A35-R37 PolarHBondContact O-N 2.94Å; R37-Q39 PolarHBondContact O-N 3.34Å; R37-Q39 VanDerWaalsContact O-N 3.12Å
38	A	58.1	Low	60.2	Low	58 Å²	58	118.1 Å²	118.1	48%	0.479	69%	0.686	S	S	.	*			trans	-52.8	119.2	170.8	0	0	0	0	0	109.3	A36 Y40	A36-A38 PolarHBondContact O-N 3.13Å; A36-A38 VanDerWaalsContact O-N 3.07Å; A38-Y40 VanDerWaalsContact C-N 3.3Å; A38-Y40 HydrophobicContact CB-CD2 4.48Å; A38-Y40 HydrophobicContact CB-CE1 4.39Å; A38-Y40 HydrophobicContact CB-CE2 4Å; A38-Y40 WeakPolarHBondContact O-CD2 3.37Å; A38-Y40 PolarHBondContact O-N 2.75Å
39	Q	59.6	Low	62.3	Low	191 Å²	191	117.9 Å²	117.9	89%	0.893	68%	0.678	S	S	*	*			trans	-78.5	83	178.6	-72.5	-172	-10.5	0	0	109.5	R37 S41	R37-Q39 PolarHBondContact O-N 3.34Å; R37-Q39 VanDerWaalsContact O-N 3.12Å; Q39-S41 PolarHBondContact O-N 3.5Å
40	Y	67.6	Low	64.9	Low	187 Å²	187	117.3 Å²	117.3	73%	0.733	67%	0.671	S	S	*	*			trans	-62.2	105	174.3	-60.1	-77.6	0	0	0	110.3	A38	A38-Y40 VanDerWaalsContact C-N 3.3Å; A38-Y40 HydrophobicContact CB-CD2 4.48Å; A38-Y40 HydrophobicContact CB-CE1 4.39Å; A38-Y40 HydrophobicContact CB-CE2 4Å; A38-Y40 WeakPolarHBondContact O-CD2 3.37Å; A38-Y40 PolarHBondContact O-N 2.75Å
41	S	83.3	Confident	67.6	Low	67 Å²	67	118.9 Å²	118.9	47%	0.469	66%	0.657	S	S	.	*			trans	-76.5	144.5	170.7	72.7	0	0	0	0	109.8	Q39 P43 G44 I45	Q39-S41 PolarHBondContact O-N 3.5Å; S41-P43 VanDerWaalsContact C-N 3.34Å; S41-G44 WeakPolarHBondContact O-CA 3.48Å; S41-G44 PolarHBondContact O-N 3.5Å; S41-G44 PolarHBondContact OG-N 3.41Å; S41-I45 WeakPolarHBondContact O-CG1 3.19Å; S41-I45 PolarHBondContact O-N 2.93Å
42	I	78.4	Confident	70.5	Confident	127 Å²	127	113.6 Å²	113.6	65%	0.651	63%	0.626	S	S	*	*	H	α-helix	trans	-55	-43.4	-179.9	-63.4	172.1	0	0	0	111.9	G44 I45 L46	I42-G44 VanDerWaalsContact C-N 3.34Å; I42-G44 PolarHBondContact O-N 3.38Å; I42-I45 PolarHBondContact O-N 2.81Å; I42-L46 HydrophobicContact CG2-CD1 3.97Å; I42-L46 HydrophobicContact CG2-CG 4.48Å; I42-L46 WeakPolarHBondContact O-CG 3.46Å; I42-L46 PolarHBondContact O-N 2.91Å
43	P	84.6	Confident	73	Confident	95 Å²	95	117.2 Å²	117.2	62%	0.617	62%	0.622	S	S	*	*	H	α-helix	trans	-61.9	-36.8	173.3	-24.2	35.7	0	0	0	113.9	S41 L46 H47	S41-P43 VanDerWaalsContact C-N 3.34Å; P43-L46 PolarHBondContact O-N 3.04Å; P43-H47 WeakPolarHBondContact O-CB 3.41Å; P43-H47 PolarHBondContact O-N 2.79Å
44	G	82.6	Confident	75.6	Confident	37 Å²	37	115.5 Å²	115.5	38%	0.381	60%	0.6	S	S	.	*	H	α-helix	trans	-67.2	-41	177.1	0	0	0	0	0	112.9	S41 I42 H47 F48	S41-G44 WeakPolarHBondContact O-CA 3.48Å; S41-G44 PolarHBondContact O-N 3.5Å; S41-G44 PolarHBondContact OG-N 3.41Å; I42-G44 VanDerWaalsContact C-N 3.34Å; I42-G44 PolarHBondContact O-N 3.38Å; G44-H47 PolarHBondContact O-N 2.82Å; G44-F48 WeakPolarHBondContact O-CB 3.43Å; G44-F48 PolarHBondContact O-N 3.18Å
45	I	88.3	Confident	78.1	Confident	71 Å²	71	112.7 Å²	112.7	36%	0.364	58%	0.581	S	S	.	*	H	α-helix	trans	-61.7	-46.5	173.6	-60.2	166.1	0	0	0	110.1	S41 I42 F48 L49	S41-I45 WeakPolarHBondContact O-CG1 3.19Å; S41-I45 PolarHBondContact O-N 2.93Å; I42-I45 PolarHBondContact O-N 2.81Å; I45-F48 PolarHBondContact O-N 3.35Å; I45-L49 HydrophobicContact CG2-CD1 3.88Å; I45-L49 HydrophobicContact CG2-CG 4.36Å; I45-L49 WeakPolarHBondContact O-CB 3.36Å; I45-L49 WeakPolarHBondContact O-CG 3.07Å; I45-L49 PolarHBondContact O-N 2.69Å
46	L	87.6	Confident	80.4	Confident	105 Å²	105	114.4 Å²	114.4	55%	0.55	57%	0.572	S	S	.	*	H	α-helix	trans	-63.4	-43.3	180	-70.9	169.2	0	0	0	112.1	I42 P43 L49 Q50	I42-L46 HydrophobicContact CG2-CD1 3.97Å; I42-L46 HydrophobicContact CG2-CG 4.48Å; I42-L46 WeakPolarHBondContact O-CG 3.46Å; I42-L46 PolarHBondContact O-N 2.91Å; P43-L46 PolarHBondContact O-N 3.04Å; L46-L49 PolarHBondContact O-N 2.93Å; L46-Q50 WeakPolarHBondContact O-CB 3.24Å; L46-Q50 PolarHBondContact O-N 3.32Å
47	H	83.8	Confident	82.6	Confident	133 Å²	133	113 Å²	113	62%	0.616	55%	0.548	S	S	*	.	H	α-helix	trans	-65	-40.1	176.3	-173	-76.6	0	0	0	112.2	P43 G44 Q50 H51	P43-H47 WeakPolarHBondContact O-CB 3.41Å; P43-H47 PolarHBondContact O-N 2.79Å; G44-H47 PolarHBondContact O-N 2.82Å; H47-Q50 PolarHBondContact O-N 3.17Å; H47-H51 WeakPolarHBondContact O-CB 3.48Å; H47-H51 PolarHBondContact O-N 2.82Å
48	F	88.8	Confident	84.3	Confident	124 Å²	124	106.8 Å²	106.8	54%	0.544	54%	0.536	S	S	.	.	H	α-helix	trans	-62.4	-49	174.4	177.1	-102.4	0	0	0	111.5	G44 I45 Q50 H51 E52	G44-F48 WeakPolarHBondContact O-CB 3.43Å; G44-F48 PolarHBondContact O-N 3.18Å; I45-F48 PolarHBondContact O-N 3.35Å; F48-Q50 VanDerWaalsContact C-N 3.3Å; F48-Q50 PolarHBondContact O-N 3.05Å; F48-H51 PolarHBondContact O-N 3.18Å; F48-E52 HydrophobicContact CD1-CG 4.29Å; F48-E52 HydrophobicContact CD2-CG 4.18Å; F48-E52 HydrophobicContact CE1-CG 3.82Å; F48-E52 HydrophobicContact CE2-CG 3.7Å; F48-E52 HydrophobicContact CG-CG 4.45Å; F48-E52 HydrophobicContact CZ-CG 3.5Å; F48-E52 VanDerWaalsContact CZ-CG 3.5Å; F48-E52 WeakPolarHBondContact O-CB 3.3Å; F48-E52 WeakPolarHBondContact O-CG 3.05Å; F48-E52 PolarHBondContact O-N 3.45Å
49	L	90.6	Very high	86	Confident	101 Å²	101	107.4 Å²	107.4	53%	0.529	53%	0.53	S	S	.	.	H	α-helix	trans	-60.7	-37.3	176.7	-72.1	171.8	0	0	0	112.6	I45 L46 W53	I45-L49 HydrophobicContact CG2-CD1 3.88Å; I45-L49 HydrophobicContact CG2-CG 4.36Å; I45-L49 WeakPolarHBondContact O-CB 3.36Å; I45-L49 WeakPolarHBondContact O-CG 3.07Å; I45-L49 PolarHBondContact O-N 2.69Å; L46-L49 PolarHBondContact O-N 2.93Å; L49-W53 WeakPolarHBondContact O-CB 3.17Å; L49-W53 PolarHBondContact O-N 2.97Å
50	Q	87.8	Confident	87.5	Confident	137 Å²	137	104.5 Å²	104.5	64%	0.64	51%	0.51	S	S	*	.	H	α-helix	trans	-70.4	-37.3	177.1	-171.6	174.2	3.7	0	0	112.3	L46 H47 F48 A54	L46-Q50 WeakPolarHBondContact O-CB 3.24Å; L46-Q50 PolarHBondContact O-N 3.32Å; H47-Q50 PolarHBondContact O-N 3.17Å; F48-Q50 VanDerWaalsContact C-N 3.3Å; F48-Q50 PolarHBondContact O-N 3.05Å; Q50-A54 WeakPolarHBondContact O-CB 3.3Å; Q50-A54 PolarHBondContact O-N 3.19Å
51	H	90.8	Very high	88.5	Confident	114 Å²	114	98.1 Å²	98.1	53%	0.528	50%	0.496	S	S	.	.	H	α-helix	trans	-67.8	-49.1	174.8	-177.1	74.7	0	0	0	111.7	H47 F48 W53 A54 R55	H47-H51 WeakPolarHBondContact O-CB 3.48Å; H47-H51 PolarHBondContact O-N 2.82Å; F48-H51 PolarHBondContact O-N 3.18Å; H51-W53 PolarHBondContact O-N 2.87Å; H51-A54 PolarHBondContact O-N 3.22Å; H51-R55 WeakPolarHBondContact O-CB 3.34Å; H51-R55 PolarHBondContact O-N 2.8Å
52	E	93.9	Very high	88.9	Confident	54 Å²	54	100 Å²	100	25%	0.252	50%	0.497	S	S	.	.	H	α-helix	trans	-62.5	-41.6	176.6	-70.6	-69.6	95.9	0	0	111.4	F48 R55 F56	F48-E52 HydrophobicContact CD1-CG 4.29Å; F48-E52 HydrophobicContact CD2-CG 4.18Å; F48-E52 HydrophobicContact CE1-CG 3.82Å; F48-E52 HydrophobicContact CE2-CG 3.7Å; F48-E52 HydrophobicContact CG-CG 4.45Å; F48-E52 HydrophobicContact CZ-CG 3.5Å; F48-E52 VanDerWaalsContact CZ-CG 3.5Å; F48-E52 WeakPolarHBondContact O-CB 3.3Å; F48-E52 WeakPolarHBondContact O-CG 3.05Å; F48-E52 PolarHBondContact O-N 3.45Å; E52-R55 WeakPolarHBondContact O-CB 3.47Å; E52-R55 PolarHBondContact O-N 2.71Å; E52-F56 WeakPolarHBondContact O-CB 3.11Å; E52-F56 VanDerWaalsContact O-CD2 3.22Å; E52-F56 WeakPolarHBondContact O-CD2 3.39Å; E52-F56 PolarHBondContact O-N 3.31Å
53	W	89	Confident	89.6	Confident	160 Å²	160	102.6 Å²	102.6	61%	0.606	50%	0.499	S	S	*	.	H	α-helix	trans	-62.6	-46.8	175.9	177.1	63.1	0	0	0	112.1	L49 H51 R55 F56 E57	L49-W53 WeakPolarHBondContact O-CB 3.17Å; L49-W53 PolarHBondContact O-N 2.97Å; H51-W53 PolarHBondContact O-N 2.87Å; W53-R55 VanDerWaalsContact C-N 3.27Å; W53-R55 PolarHBondContact O-N 3.28Å; W53-F56 PolarHBondContact O-N 3.38Å; W53-E57 HydrophobicContact CZ2-CG 4.32Å; W53-E57 WeakPolarHBondContact CZ2-OE2 3.49Å; W53-E57 PolarHBondContact NE1-OE2 2.99Å; W53-E57 PolarHBondContact O-N 2.89Å
54	A	90.6	Very high	89.8	Confident	48 Å²	48	102.2 Å²	102.2	40%	0.397	49%	0.489	S	S	.	.	H	α-helix	trans	-60.4	-38.2	176.1	0	0	0	0	0	112	Q50 H51 V58	Q50-A54 WeakPolarHBondContact O-CB 3.3Å; Q50-A54 PolarHBondContact O-N 3.19Å; H51-A54 PolarHBondContact O-N 3.22Å; A54-V58 WeakPolarHBondContact O-CG2 3.45Å; A54-V58 PolarHBondContact O-N 2.81Å; A54-V58 VanDerWaalsContact O-N 3.14Å
55	R	92.7	Very high	90.3	Very high	132 Å²	132	104.7 Å²	104.7	50%	0.498	50%	0.497	S	S	.	.	H	α-helix	trans	-63.2	-50.1	173.3	179.1	-175.7	174.1	149.3	10	111.9	H51 E52 W53 E57 V58 E59	H51-R55 WeakPolarHBondContact O-CB 3.34Å; H51-R55 PolarHBondContact O-N 2.8Å; E52-R55 WeakPolarHBondContact O-CB 3.47Å; E52-R55 PolarHBondContact O-N 2.71Å; W53-R55 VanDerWaalsContact C-N 3.27Å; W53-R55 PolarHBondContact O-N 3.28Å; R55-E57 VanDerWaalsContact C-N 3.31Å; R55-E57 PolarHBondContact O-N 3.23Å; R55-V58 PolarHBondContact O-N 3.02Å; R55-E59 HydrophobicContact CG-CG 4.49Å; R55-E59 IonicContact CZ-OE1 3.69Å; R55-E59 VanDerWaalsContact CZ-OE1 3.23Å; R55-E59 IonicContact NE-OE1 3.14Å; R55-E59 PolarHBondContact NE-OE1 2.9Å; R55-E59 IonicContact NH2-OE1 3.25Å; R55-E59 PolarHBondContact NH2-OE1 3.31Å; R55-E59 PolarHBondContact O-N 2.86Å
56	F	93.4	Very high	90.4	Very high	125 Å²	125	104.9 Å²	104.9	55%	0.548	50%	0.496	S	S	.	.	H	α-helix	trans	-62.5	-36.2	179.1	-88.1	-66.3	0	0	0	112.4	E52 W53 R60	E52-F56 WeakPolarHBondContact O-CB 3.11Å; E52-F56 VanDerWaalsContact O-CD2 3.22Å; E52-F56 WeakPolarHBondContact O-CD2 3.39Å; E52-F56 PolarHBondContact O-N 3.31Å; W53-F56 PolarHBondContact O-N 3.38Å; F56-R60 WeakPolarHBondContact O-CB 3.3Å; F56-R60 PolarHBondContact O-N 2.73Å
57	E	91.4	Very high	90.7	Very high	71 Å²	71	107.5 Å²	107.5	33%	0.332	50%	0.499	S	S	.	.	H	α-helix	trans	-71.1	-33.3	177.2	-145.2	72.8	-121.1	0	0	111.6	W53 R55 R60 A61	W53-E57 HydrophobicContact CZ2-CG 4.32Å; W53-E57 WeakPolarHBondContact CZ2-OE2 3.49Å; W53-E57 PolarHBondContact NE1-OE2 2.99Å; W53-E57 PolarHBondContact O-N 2.89Å; R55-E57 VanDerWaalsContact C-N 3.31Å; R55-E57 PolarHBondContact O-N 3.23Å; E57-R60 WeakPolarHBondContact OE1-CD 3.44Å; E57-R60 IonicContact OE1-CZ 3.66Å; E57-R60 IonicContact OE1-NE 3.42Å; E57-R60 IonicContact OE1-NH1 2.7Å; E57-R60 PolarHBondContact OE1-NH1 2.84Å; E57-A61 WeakPolarHBondContact O-CB 3.36Å; E57-A61 PolarHBondContact O-N 2.91Å
58	V	87.8	Confident	90.9	Very high	105 Å²	105	103.9 Å²	103.9	64%	0.636	49%	0.492	S	S	*	.	H	α-helix	trans	-69.7	-48.5	171.5	169.6	0	0	0	0	111.9	A54 R55 R60 A61 Q62	A54-V58 WeakPolarHBondContact O-CG2 3.45Å; A54-V58 PolarHBondContact O-N 2.81Å; A54-V58 VanDerWaalsContact O-N 3.14Å; R55-V58 PolarHBondContact O-N 3.02Å; V58-R60 VanDerWaalsContact C-N 3.27Å; V58-R60 PolarHBondContact O-N 2.85Å; V58-A61 PolarHBondContact O-N 2.88Å; V58-Q62 PolarHBondContact O-N 3.47Å
59	E	92.8	Very high	90.9	Very high	72 Å²	72	104.4 Å²	104.4	34%	0.336	50%	0.496	S	S	.	.	H	α-helix	trans	-59.3	-42	175.7	-72.6	-178.1	-172.9	0	0	110.3	R55 Q62 W63	R55-E59 HydrophobicContact CG-CG 4.49Å; R55-E59 IonicContact CZ-OE1 3.69Å; R55-E59 VanDerWaalsContact CZ-OE1 3.23Å; R55-E59 IonicContact NE-OE1 3.14Å; R55-E59 PolarHBondContact NE-OE1 2.9Å; R55-E59 IonicContact NH2-OE1 3.25Å; R55-E59 PolarHBondContact NH2-OE1 3.31Å; R55-E59 PolarHBondContact O-N 2.86Å; E59-Q62 WeakPolarHBondContact O-CB 3.38Å; E59-Q62 PolarHBondContact O-N 3.46Å; E59-W63 PolarHBondContact O-N 2.99Å
60	R	91.1	Very high	91	Very high	130 Å²	130	105.1 Å²	105.1	49%	0.491	50%	0.5	S	S	.	.	H	α-helix	trans	-61.9	-44.8	174.3	179.2	-176.6	168.5	-151.5	-7.6	112.8	F56 E57 V58 Q62 W63 E64	F56-R60 WeakPolarHBondContact O-CB 3.3Å; F56-R60 PolarHBondContact O-N 2.73Å; E57-R60 WeakPolarHBondContact OE1-CD 3.44Å; E57-R60 IonicContact OE1-CZ 3.66Å; E57-R60 IonicContact OE1-NE 3.42Å; E57-R60 IonicContact OE1-NH1 2.7Å; E57-R60 PolarHBondContact OE1-NH1 2.84Å; V58-R60 VanDerWaalsContact C-N 3.27Å; V58-R60 PolarHBondContact O-N 2.85Å; R60-Q62 VanDerWaalsContact C-N 3.29Å; R60-Q62 PolarHBondContact O-N 2.79Å; R60-W63 PolarHBondContact O-N 2.59Å; R60-E64 HydrophobicContact CG-CG 4.48Å; R60-E64 IonicContact CZ-OE1 2.64Å; R60-E64 VanDerWaalsContact CZ-OE1 3.25Å; R60-E64 IonicContact NE-OE1 2.6Å; R60-E64 PolarHBondContact NE-OE1 3.44Å; R60-E64 IonicContact NH2-OE1 3.23Å; R60-E64 PolarHBondContact NH2-OE1 3Å; R60-E64 WeakPolarHBondContact O-CG 3.5Å; R60-E64 PolarHBondContact O-N 3.36Å
61	A	89.6	Confident	91.1	Very high	53 Å²	53	104.5 Å²	104.5	44%	0.438	50%	0.497	S	S	.	.	H	α-helix	trans	-60.7	-41.2	177.7	0	0	0	0	0	111.3	E57 V58 E64 V65	E57-A61 WeakPolarHBondContact O-CB 3.36Å; E57-A61 PolarHBondContact O-N 2.91Å; V58-A61 PolarHBondContact O-N 2.88Å; A61-E64 PolarHBondContact O-N 3.4Å; A61-V65 WeakPolarHBondContact O-CG2 3.46Å; A61-V65 PolarHBondContact O-N 2.89Å
62	Q	90.6	Very high	91	Very high	105 Å²	105	102 Å²	102	49%	0.491	50%	0.496	S	S	.	.	H	α-helix	trans	-59.9	-48.5	173.2	-177.1	63.7	26.2	0	0	111.5	V58 E59 R60 E64 V65 E66	V58-Q62 PolarHBondContact O-N 3.47Å; E59-Q62 WeakPolarHBondContact O-CB 3.38Å; E59-Q62 PolarHBondContact O-N 3.46Å; R60-Q62 VanDerWaalsContact C-N 3.29Å; R60-Q62 PolarHBondContact O-N 2.79Å; Q62-E64 VanDerWaalsContact C-N 3.31Å; Q62-E64 PolarHBondContact O-N 3.49Å; Q62-V65 PolarHBondContact O-N 2.6Å; Q62-E66 WeakPolarHBondContact CG-OE1 3.23Å; Q62-E66 PolarHBondContact NE2-OE1 2.83Å; Q62-E66 PolarHBondContact O-N 2.95Å
63	W	93.5	Very high	90.6	Very high	182 Å²	182	104.3 Å²	104.3	69%	0.689	51%	0.507	S	S	*	.	H	α-helix	trans	-60.7	-34.9	174.8	-85.3	102	0	0	0	113.4	E59 R60 R67	E59-W63 PolarHBondContact O-N 2.99Å; R60-W63 PolarHBondContact O-N 2.59Å; W63-R67 VanDerWaalsContact O-CB 3.25Å; W63-R67 WeakPolarHBondContact O-CB 3.49Å; W63-R67 PolarHBondContact O-N 2.86Å
64	E	90.1	Very high	90.6	Very high	87 Å²	87	101.3 Å²	101.3	41%	0.407	50%	0.501	S	S	.	.	H	α-helix	trans	-72.3	-33.8	176.7	-73.4	-176.6	-169.5	0	0	112	R60 A61 Q62 A68	R60-E64 HydrophobicContact CG-CG 4.48Å; R60-E64 IonicContact CZ-OE1 2.64Å; R60-E64 VanDerWaalsContact CZ-OE1 3.25Å; R60-E64 IonicContact NE-OE1 2.6Å; R60-E64 PolarHBondContact NE-OE1 3.44Å; R60-E64 IonicContact NH2-OE1 3.23Å; R60-E64 PolarHBondContact NH2-OE1 3Å; R60-E64 WeakPolarHBondContact O-CG 3.5Å; R60-E64 PolarHBondContact O-N 3.36Å; A61-E64 PolarHBondContact O-N 3.4Å; Q62-E64 VanDerWaalsContact C-N 3.31Å; Q62-E64 PolarHBondContact O-N 3.49Å; E64-A68 WeakPolarHBondContact O-CB 3.11Å; E64-A68 PolarHBondContact O-N 3.05Å; E64-A68 VanDerWaalsContact O-N 3.13Å
65	V	91.3	Very high	90.5	Very high	89 Å²	89	101.9 Å²	101.9	54%	0.539	51%	0.506	S	S	.	.	H	α-helix	trans	-67.9	-52.3	171.4	171.1	0	0	0	0	111.6	A61 Q62 R67 A68 E69	A61-V65 WeakPolarHBondContact O-CG2 3.46Å; A61-V65 PolarHBondContact O-N 2.89Å; Q62-V65 PolarHBondContact O-N 2.6Å; V65-R67 VanDerWaalsContact C-N 3.26Å; V65-R67 PolarHBondContact O-N 3.26Å; V65-A68 WeakPolarHBondContact O-CA 3.33Å; V65-A68 WeakPolarHBondContact O-CB 3.45Å; V65-A68 PolarHBondContact O-N 2.86Å; V65-E69 PolarHBondContact O-N 2.71Å
66	E	91.9	Very high	90.2	Very high	76 Å²	76	101.4 Å²	101.4	36%	0.355	51%	0.508	S	S	.	.	H	α-helix	trans	-59.6	-37.4	178.9	-72.2	175.6	-160.9	0	0	111.8	Q62 E69 L70	Q62-E66 WeakPolarHBondContact CG-OE1 3.23Å; Q62-E66 PolarHBondContact NE2-OE1 2.83Å; Q62-E66 PolarHBondContact O-N 2.95Å; E66-E69 PolarHBondContact O-N 3.13Å; E66-L70 WeakPolarHBondContact O-CB 3.37Å; E66-L70 WeakPolarHBondContact O-CG 3.22Å; E66-L70 PolarHBondContact O-N 3.48Å
67	R	92.3	Very high	90.1	Very high	160 Å²	160	99.6 Å²	99.6	60%	0.604	50%	0.503	S	S	*	.	H	α-helix	trans	-65.8	-38.4	174	-161.5	-171.1	85.2	-144.1	1.8	112	W63 V65 Q71	W63-R67 VanDerWaalsContact O-CB 3.25Å; W63-R67 WeakPolarHBondContact O-CB 3.49Å; W63-R67 PolarHBondContact O-N 2.86Å; V65-R67 VanDerWaalsContact C-N 3.26Å; V65-R67 PolarHBondContact O-N 3.26Å; R67-Q71 WeakPolarHBondContact O-CB 3.49Å; R67-Q71 PolarHBondContact O-N 2.95Å
68	A	88.2	Confident	89.8	Confident	57 Å²	57	102.2 Å²	102.2	47%	0.471	52%	0.516	S	S	.	.	H	α-helix	trans	-68.2	-41.4	177.1	0	0	0	0	0	111.8	E64 V65 Q71 A72	E64-A68 WeakPolarHBondContact O-CB 3.11Å; E64-A68 PolarHBondContact O-N 3.05Å; E64-A68 VanDerWaalsContact O-N 3.13Å; V65-A68 WeakPolarHBondContact O-CA 3.33Å; V65-A68 WeakPolarHBondContact O-CB 3.45Å; V65-A68 PolarHBondContact O-N 2.86Å; A68-Q71 PolarHBondContact O-N 2.99Å; A68-A72 WeakPolarHBondContact O-CB 3.4Å; A68-A72 PolarHBondContact O-N 3.13Å
69	E	90.1	Very high	89.8	Confident	135 Å²	135	99.3 Å²	99.3	63%	0.631	51%	0.507	S	S	*	.	H	α-helix	trans	-62	-50.9	175.4	-176.4	176.2	-168.5	0	0	111.6	V65 E66 Q71 A72 Q73	V65-E69 PolarHBondContact O-N 2.71Å; E66-E69 PolarHBondContact O-N 3.13Å; E69-Q71 VanDerWaalsContact C-N 3.29Å; E69-Q71 PolarHBondContact O-N 3.16Å; E69-A72 WeakPolarHBondContact O-CB 3.44Å; E69-A72 PolarHBondContact O-N 2.97Å; E69-A72 VanDerWaalsContact O-N 3.16Å; E69-Q73 PolarHBondContact O-N 3.29Å
70	L	92.7	Very high	89.4	Confident	115 Å²	115	100.4 Å²	100.4	60%	0.602	51%	0.512	S	S	*	.	H	α-helix	trans	-61.1	-37.7	176	-70.9	171.7	0	0	0	112.1	E66 Q73 I74	E66-L70 WeakPolarHBondContact O-CB 3.37Å; E66-L70 WeakPolarHBondContact O-CG 3.22Å; E66-L70 PolarHBondContact O-N 3.48Å; L70-Q73 PolarHBondContact O-N 2.82Å; L70-I74 WeakPolarHBondContact O-CB 3.47Å; L70-I74 WeakPolarHBondContact O-CD1 3.5Å; L70-I74 VanDerWaalsContact O-CG1 3.23Å; L70-I74 WeakPolarHBondContact O-CG1 3.48Å; L70-I74 PolarHBondContact O-N 3.36Å
71	Q	89.4	Confident	89.4	Confident	125 Å²	125	103.5 Å²	103.5	58%	0.584	52%	0.523	S	S	*	.	H	α-helix	trans	-67.4	-38	176.1	-175.4	171.2	-15.7	0	0	112	R67 A68 E69 A75	R67-Q71 WeakPolarHBondContact O-CB 3.49Å; R67-Q71 PolarHBondContact O-N 2.95Å; A68-Q71 PolarHBondContact O-N 2.99Å; E69-Q71 VanDerWaalsContact C-N 3.29Å; E69-Q71 PolarHBondContact O-N 3.16Å; Q71-A75 WeakPolarHBondContact O-CB 3.37Å; Q71-A75 PolarHBondContact O-N 3.46Å
72	A	87.8	Confident	89.3	Confident	61 Å²	61	107.9 Å²	107.9	50%	0.504	53%	0.533	S	S	.	.	H	α-helix	trans	-66.4	-44.1	173.2	0	0	0	0	0	111.8	A68 E69 I74 A75 F76	A68-A72 WeakPolarHBondContact O-CB 3.4Å; A68-A72 PolarHBondContact O-N 3.13Å; E69-A72 WeakPolarHBondContact O-CB 3.44Å; E69-A72 PolarHBondContact O-N 2.97Å; E69-A72 VanDerWaalsContact O-N 3.16Å; A72-I74 VanDerWaalsContact C-N 3.34Å; A72-I74 PolarHBondContact O-N 2.86Å; A72-A75 WeakPolarHBondContact O-CB 3.31Å; A72-A75 PolarHBondContact O-N 3.47Å; A72-A75 VanDerWaalsContact O-N 3.13Å; A72-F76 PolarHBondContact O-N 3.02Å
73	Q	85.7	Confident	88.9	Confident	103 Å²	103	104.8 Å²	104.8	48%	0.481	53%	0.529	S	S	.	.	H	α-helix	trans	-64	-38.2	177.9	-173	61.8	8.3	0	0	112.2	E69 L70 F76 L77	E69-Q73 PolarHBondContact O-N 3.29Å; L70-Q73 PolarHBondContact O-N 2.82Å; Q73-F76 PolarHBondContact O-N 3.18Å; Q73-L77 HydrophobicContact CG-CD1 4.33Å; Q73-L77 WeakPolarHBondContact O-CG 3.39Å; Q73-L77 PolarHBondContact O-N 2.83Å
74	I	90.1	Very high	88.6	Confident	96 Å²	96	101.4 Å²	101.4	49%	0.492	52%	0.521	S	S	.	.	H	α-helix	trans	-64.3	-42.4	172.5	-71.2	166	0	0	0	110.9	L70 A72 L77 Q78	L70-I74 WeakPolarHBondContact O-CB 3.47Å; L70-I74 WeakPolarHBondContact O-CD1 3.5Å; L70-I74 VanDerWaalsContact O-CG1 3.23Å; L70-I74 WeakPolarHBondContact O-CG1 3.48Å; L70-I74 PolarHBondContact O-N 3.36Å; A72-I74 VanDerWaalsContact C-N 3.34Å; A72-I74 PolarHBondContact O-N 2.86Å; I74-L77 PolarHBondContact O-N 2.82Å; I74-Q78 VanDerWaalsContact CG2-NE2 3.3Å; I74-Q78 WeakPolarHBondContact O-CB 3.24Å; I74-Q78 VanDerWaalsContact O-CG 3.26Å; I74-Q78 WeakPolarHBondContact O-CG 3.4Å; I74-Q78 PolarHBondContact O-N 2.9Å
75	A	89.1	Confident	88.3	Confident	60 Å²	60	101.4 Å²	101.4	50%	0.496	52%	0.521	S	S	.	.	H	α-helix	trans	-64.3	-40.8	177	0	0	0	0	0	112.2	Q71 A72 Q78 G79	Q71-A75 WeakPolarHBondContact O-CB 3.37Å; Q71-A75 PolarHBondContact O-N 3.46Å; A72-A75 WeakPolarHBondContact O-CB 3.31Å; A72-A75 PolarHBondContact O-N 3.47Å; A72-A75 VanDerWaalsContact O-N 3.13Å; A75-Q78 PolarHBondContact O-N 3.26Å; A75-G79 PolarHBondContact O-N 2.77Å
76	F	85.4	Confident	87.9	Confident	122 Å²	122	101.4 Å²	101.4	54%	0.535	52%	0.518	S	S	.	.	H	α-helix	trans	-58.5	-54	173.9	178	-91	0	0	0	111.5	A72 Q73 Q78 G79 E80	A72-F76 PolarHBondContact O-N 3.02Å; Q73-F76 PolarHBondContact O-N 3.18Å; F76-Q78 VanDerWaalsContact C-N 3.28Å; F76-Q78 PolarHBondContact O-N 3.18Å; F76-G79 CarbonylContact O-C 3.57Å; F76-G79 WeakPolarHBondContact O-CA 3.21Å; F76-G79 PolarHBondContact O-N 2.92Å; F76-E80 PolarHBondContact O-N 2.86Å
77	L	90.5	Very high	87.6	Confident	87 Å²	87	102 Å²	102	46%	0.455	52%	0.523	S	S	.	.	H	α-helix	trans	-63.9	-30.4	-179.4	-68.9	170.2	0	0	0	113	Q73 I74 R81	Q73-L77 HydrophobicContact CG-CD1 4.33Å; Q73-L77 WeakPolarHBondContact O-CG 3.39Å; Q73-L77 PolarHBondContact O-N 2.83Å; I74-L77 PolarHBondContact O-N 2.82Å; L77-R81 VanDerWaalsContact O-CB 3.29Å; L77-R81 WeakPolarHBondContact O-CB 3.2Å; L77-R81 PolarHBondContact O-N 2.82Å
78	Q	85.3	Confident	87.5	Confident	127 Å²	127	100.4 Å²	100.4	59%	0.593	52%	0.521	S	S	*	.	H	α-helix	trans	-71.1	-40.5	171.1	-73.3	178.4	20.3	0	0	112.1	I74 A75 F76 K82	I74-Q78 VanDerWaalsContact CG2-NE2 3.3Å; I74-Q78 WeakPolarHBondContact O-CB 3.24Å; I74-Q78 VanDerWaalsContact O-CG 3.26Å; I74-Q78 WeakPolarHBondContact O-CG 3.4Å; I74-Q78 PolarHBondContact O-N 2.9Å; A75-Q78 PolarHBondContact O-N 3.26Å; F76-Q78 VanDerWaalsContact C-N 3.28Å; F76-Q78 PolarHBondContact O-N 3.18Å; Q78-K82 WeakPolarHBondContact O-CB 3.26Å; Q78-K82 PolarHBondContact O-N 2.79Å
79	G	87.3	Confident	87.3	Confident	43 Å²	43	103.9 Å²	103.9	44%	0.443	53%	0.525	S	S	.	.	H	α-helix	trans	-60.9	-48.5	173.7	0	0	0	0	0	112.1	A75 F76 K82 G83	A75-G79 PolarHBondContact O-N 2.77Å; F76-G79 CarbonylContact O-C 3.57Å; F76-G79 WeakPolarHBondContact O-CA 3.21Å; F76-G79 PolarHBondContact O-N 2.92Å; G79-K82 PolarHBondContact O-N 3.07Å; G79-G83 PolarHBondContact O-N 2.87Å
80	E	86.1	Confident	87.1	Confident	96 Å²	96	99.8 Å²	99.8	45%	0.449	51%	0.508	S	S	.	.	H	α-helix	trans	-61	-49.6	177.1	-162.5	-157.7	158.4	0	0	111.2	F76 K82 G83 Q84	F76-E80 PolarHBondContact O-N 2.86Å; E80-K82 VanDerWaalsContact C-N 3.27Å; E80-K82 PolarHBondContact O-N 2.78Å; E80-G83 CarbonylContact O-C 3.58Å; E80-G83 WeakPolarHBondContact O-CA 3.33Å; E80-G83 PolarHBondContact O-N 2.75Å; E80-Q84 WeakPolarHBondContact O-CG 3.5Å; E80-Q84 PolarHBondContact O-N 3Å
81	R	90.3	Very high	86.7	Confident	194 Å²	194	98.4 Å²	98.4	73%	0.732	50%	0.5	S	S	*	.	H	α-helix	trans	-54.3	-43.6	175.3	-179.2	-175.9	-67.5	-150.9	-0.9	111.9	L77 G83 Q84 E85	L77-R81 VanDerWaalsContact O-CB 3.29Å; L77-R81 WeakPolarHBondContact O-CB 3.2Å; L77-R81 PolarHBondContact O-N 2.82Å; R81-G83 VanDerWaalsContact C-N 3.35Å; R81-Q84 PolarHBondContact O-N 2.85Å; R81-E85 WeakPolarHBondContact O-CB 3.3Å; R81-E85 PolarHBondContact O-N 2.85Å
82	K	88.7	Confident	86.7	Confident	146 Å²	146	95.8 Å²	95.8	64%	0.635	49%	0.492	S	S	*	.	H	α-helix	trans	-66.6	-36.4	177.7	-172.2	177.5	-179.4	-179.1	0	111.7	Q78 G79 E80 N86	Q78-K82 WeakPolarHBondContact O-CB 3.26Å; Q78-K82 PolarHBondContact O-N 2.79Å; G79-K82 PolarHBondContact O-N 3.07Å; E80-K82 VanDerWaalsContact C-N 3.27Å; E80-K82 PolarHBondContact O-N 2.78Å; K82-N86 WeakPolarHBondContact O-CB 3.35Å; K82-N86 PolarHBondContact O-N 2.86Å; K82-N86 PolarHBondContact O-ND2 3.18Å
83	G	82.3	Confident	86.6	Confident	40 Å²	40	98.6 Å²	98.6	41%	0.412	49%	0.49	S	S	.	.	H	α-helix	trans	-61.4	-50.5	170.9	0	0	0	0	0	112.5	G79 E80 R81 E85 N86 L87	G79-G83 PolarHBondContact O-N 2.87Å; E80-G83 CarbonylContact O-C 3.58Å; E80-G83 WeakPolarHBondContact O-CA 3.33Å; E80-G83 PolarHBondContact O-N 2.75Å; R81-G83 VanDerWaalsContact C-N 3.35Å; G83-E85 VanDerWaalsContact C-N 3.34Å; G83-E85 PolarHBondContact O-N 3.48Å; G83-N86 PolarHBondContact O-N 3.44Å; G83-L87 WeakPolarHBondContact O-CB 3.33Å; G83-L87 PolarHBondContact O-N 2.99Å
84	Q	85.3	Confident	86.4	Confident	110 Å²	110	100 Å²	100	51%	0.514	49%	0.491	S	S	.	.	H	α-helix	trans	-60.7	-40.2	176.8	-64.8	-68.2	-1.1	0	0	112.1	E80 R81 L87 K88	E80-Q84 WeakPolarHBondContact O-CG 3.5Å; E80-Q84 PolarHBondContact O-N 3Å; R81-Q84 PolarHBondContact O-N 2.85Å; Q84-L87 PolarHBondContact O-N 2.56Å; Q84-K88 WeakPolarHBondContact O-CB 3.02Å; Q84-K88 PolarHBondContact O-N 2.88Å
85	E	84.6	Confident	86.5	Confident	87 Å²	87	99.9 Å²	99.9	41%	0.407	49%	0.49	S	S	.	.	H	α-helix	trans	-70.2	-36.9	176.6	-176.4	134.6	-116	0	0	112.8	R81 G83 K88 K89	R81-E85 WeakPolarHBondContact O-CB 3.3Å; R81-E85 PolarHBondContact O-N 2.85Å; G83-E85 VanDerWaalsContact C-N 3.34Å; G83-E85 PolarHBondContact O-N 3.48Å; E85-K88 PolarHBondContact O-N 3.32Å; E85-K88 IonicContact OE1-NZ 3.36Å; E85-K89 HydrophobicContact CG-CD 4.43Å; E85-K89 WeakPolarHBondContact O-CG 3.4Å; E85-K89 PolarHBondContact O-N 2.85Å
86	N	83.8	Confident	86.4	Confident	90 Å²	90	102 Å²	102	48%	0.481	49%	0.489	S	S	.	.	H	α-helix	trans	-64.6	-41.9	171.6	-74.4	-21	0	0	0	111.6	K82 G83 K89 D90	K82-N86 WeakPolarHBondContact O-CB 3.35Å; K82-N86 PolarHBondContact O-N 2.86Å; K82-N86 PolarHBondContact O-ND2 3.18Å; G83-N86 PolarHBondContact O-N 3.44Å; N86-K89 PolarHBondContact O-N 2.86Å; N86-D90 PolarHBondContact O-N 3.34Å
87	L	84.9	Confident	86.3	Confident	88 Å²	88	101 Å²	101	46%	0.461	49%	0.486	S	S	.	.	H	α-helix	trans	-62.3	-44.5	174.6	179.6	60.3	0	0	0	111.4	G83 Q84 K89 D90 L91	G83-L87 WeakPolarHBondContact O-CB 3.33Å; G83-L87 PolarHBondContact O-N 2.99Å; Q84-L87 PolarHBondContact O-N 2.56Å; L87-K89 VanDerWaalsContact C-N 3.35Å; L87-K89 PolarHBondContact O-N 2.96Å; L87-D90 PolarHBondContact O-N 3.2Å; L87-L91 HydrophobicContact CD1-CD1 4.26Å; L87-L91 HydrophobicContact CD1-CG 4.22Å; L87-L91 HydrophobicContact CG-CD1 4.03Å; L87-L91 HydrophobicContact CG-CG 4.43Å; L87-L91 WeakPolarHBondContact O-CB 3.38Å; L87-L91 VanDerWaalsContact O-CG 3.31Å; L87-L91 WeakPolarHBondContact O-CG 3.47Å; L87-L91 PolarHBondContact O-N 3.29Å
88	K	89.4	Confident	86.1	Confident	127 Å²	127	102.6 Å²	102.6	55%	0.552	50%	0.495	S	S	*	.	H	α-helix	trans	-57	-44.9	172.7	174.6	-173.2	168.4	-162.5	0	111.8	Q84 E85 L91 V92	Q84-K88 WeakPolarHBondContact O-CB 3.02Å; Q84-K88 PolarHBondContact O-N 2.88Å; E85-K88 PolarHBondContact O-N 3.32Å; E85-K88 IonicContact OE1-NZ 3.36Å; K88-L91 PolarHBondContact O-N 3.21Å; K88-V92 WeakPolarHBondContact O-CB 3.39Å; K88-V92 VanDerWaalsContact O-CG2 3.32Å; K88-V92 WeakPolarHBondContact O-CG2 3.26Å; K88-V92 PolarHBondContact O-N 3.1Å
89	K	85.3	Confident	86.1	Confident	129 Å²	129	100.9 Å²	100.9	56%	0.561	49%	0.487	S	S	*	.	H	α-helix	trans	-63.6	-39.7	176.8	-74.5	172.3	-179.5	178.9	0	112.1	E85 N86 L87 R93	E85-K89 HydrophobicContact CG-CD 4.43Å; E85-K89 WeakPolarHBondContact O-CG 3.4Å; E85-K89 PolarHBondContact O-N 2.85Å; N86-K89 PolarHBondContact O-N 2.86Å; L87-K89 VanDerWaalsContact C-N 3.35Å; L87-K89 PolarHBondContact O-N 2.96Å; K89-R93 WeakPolarHBondContact O-CB 3.32Å; K89-R93 PolarHBondContact O-N 2.61Å
90	D	85.4	Confident	85.9	Confident	50 Å²	50	101.6 Å²	101.6	27%	0.267	48%	0.477	S	S	.	.	H	α-helix	trans	-71.7	-38.6	175.6	-173	47.7	0	0	0	113	N86 L87 R93 R94	N86-D90 PolarHBondContact O-N 3.34Å; L87-D90 PolarHBondContact O-N 3.2Å; D90-R93 WeakPolarHBondContact O-CB 3.34Å; D90-R93 PolarHBondContact O-N 3.03Å; D90-R94 VanDerWaalsContact O-CG 3.3Å; D90-R94 WeakPolarHBondContact O-CG 3.2Å; D90-R94 PolarHBondContact O-N 2.94Å; D90-R94 IonicContact OD1-NE 3.41Å; D90-R94 IonicContact OD2-CZ 2.7Å; D90-R94 IonicContact OD2-NE 2.7Å; D90-R94 PolarHBondContact OD2-NE 3.29Å; D90-R94 IonicContact OD2-NH2 2.66Å; D90-R94 PolarHBondContact OD2-NH2 2.96Å
91	L	83.9	Confident	85.9	Confident	86 Å²	86	99.2 Å²	99.2	45%	0.45	47%	0.473	S	S	.	.	H	α-helix	trans	-62.8	-44.6	173.6	-71.7	171.5	0	0	0	111.5	L87 K88 R93 R94 I95	L87-L91 HydrophobicContact CD1-CD1 4.26Å; L87-L91 HydrophobicContact CD1-CG 4.22Å; L87-L91 HydrophobicContact CG-CD1 4.03Å; L87-L91 HydrophobicContact CG-CG 4.43Å; L87-L91 WeakPolarHBondContact O-CB 3.38Å; L87-L91 VanDerWaalsContact O-CG 3.31Å; L87-L91 WeakPolarHBondContact O-CG 3.47Å; L87-L91 PolarHBondContact O-N 3.29Å; K88-L91 PolarHBondContact O-N 3.21Å; L91-R93 VanDerWaalsContact C-N 3.32Å; L91-R93 PolarHBondContact O-N 3.03Å; L91-R94 PolarHBondContact O-N 2.78Å; L91-I95 VanDerWaalsContact O-CG1 3.28Å; L91-I95 WeakPolarHBondContact O-CG1 3.33Å; L91-I95 PolarHBondContact O-N 2.99Å
92	V	90.1	Very high	85.8	Confident	69 Å²	69	94.1 Å²	94.1	42%	0.418	46%	0.46	S	S	.	.	H	α-helix	trans	-61.6	-40	173.6	170	0	0	0	0	111.5	K88 I95 K96	K88-V92 WeakPolarHBondContact O-CB 3.39Å; K88-V92 VanDerWaalsContact O-CG2 3.32Å; K88-V92 WeakPolarHBondContact O-CG2 3.26Å; K88-V92 PolarHBondContact O-N 3.1Å; V92-I95 PolarHBondContact O-N 3.4Å; V92-K96 HydrophobicContact CG1-CD 4.43Å; V92-K96 WeakPolarHBondContact O-CG 3.34Å; V92-K96 PolarHBondContact O-N 2.82Å
93	R	84	Confident	85.6	Confident	121 Å²	121	91.3 Å²	91.3	46%	0.457	45%	0.448	S	S	.	.	H	α-helix	trans	-58.9	-48.8	173	179.4	-170.1	-66.7	-126.5	-0.8	111.2	K89 D90 L91 K96 M97 Y128	K89-R93 WeakPolarHBondContact O-CB 3.32Å; K89-R93 PolarHBondContact O-N 2.61Å; D90-R93 WeakPolarHBondContact O-CB 3.34Å; D90-R93 PolarHBondContact O-N 3.03Å; L91-R93 VanDerWaalsContact C-N 3.32Å; L91-R93 PolarHBondContact O-N 3.03Å; R93-K96 PolarHBondContact O-N 2.76Å; R93-M97 WeakPolarHBondContact O-CG 3.25Å; R93-M97 PolarHBondContact O-N 3.38Å; R93-M97 VanDerWaalsContact O-N 3.08Å; R93-Y128 WeakPolarHBondContact CD-OH 3.39Å; R93-Y128 HydrophobicContact CG-CE1 3.99Å; R93-Y128 VanDerWaalsContact CG-OH 3.3Å; R93-Y128 WeakPolarHBondContact CG-OH 3.21Å
94	R	83.3	Confident	85.6	Confident	132 Å²	132	94.5 Å²	94.5	50%	0.498	45%	0.452	S	S	.	.	H	α-helix	trans	-62.4	-42.6	177.6	-68.7	171.5	-166	-133.6	5.3	112.4	D90 L91 M97 L98	D90-R94 VanDerWaalsContact O-CG 3.3Å; D90-R94 WeakPolarHBondContact O-CG 3.2Å; D90-R94 PolarHBondContact O-N 2.94Å; D90-R94 IonicContact OD1-NE 3.41Å; D90-R94 IonicContact OD2-CZ 2.7Å; D90-R94 IonicContact OD2-NE 2.7Å; D90-R94 PolarHBondContact OD2-NE 3.29Å; D90-R94 IonicContact OD2-NH2 2.66Å; D90-R94 PolarHBondContact OD2-NH2 2.96Å; L91-R94 PolarHBondContact O-N 2.78Å; R94-M97 PolarHBondContact O-N 3.11Å; R94-M97 VanDerWaalsContact O-N 3.17Å; R94-L98 WeakPolarHBondContact O-CG 3.4Å; R94-L98 PolarHBondContact O-N 3.23Å
95	I	91.1	Very high	85.4	Confident	93 Å²	93	95 Å²	95	48%	0.477	45%	0.454	S	S	.	.	H	α-helix	trans	-59.6	-48.2	175.7	-68.7	163.3	0	0	0	110.3	L91 V92 M97 L98 E99	L91-I95 VanDerWaalsContact O-CG1 3.28Å; L91-I95 WeakPolarHBondContact O-CG1 3.33Å; L91-I95 PolarHBondContact O-N 2.99Å; V92-I95 PolarHBondContact O-N 3.4Å; I95-M97 VanDerWaalsContact C-N 3.27Å; I95-M97 PolarHBondContact O-N 3.41Å; I95-L98 PolarHBondContact O-N 2.93Å; I95-L98 VanDerWaalsContact O-N 3.16Å; I95-E99 PolarHBondContact O-N 2.88Å
96	K	87.6	Confident	85.3	Confident	106 Å²	106	97.7 Å²	97.7	46%	0.461	46%	0.461	S	S	.	.	H	α-helix	trans	-57.2	-37.4	175.2	-72.6	177.4	179.1	-179.2	0	112.5	V92 R93 Y100	V92-K96 HydrophobicContact CG1-CD 4.43Å; V92-K96 WeakPolarHBondContact O-CG 3.34Å; V92-K96 PolarHBondContact O-N 2.82Å; R93-K96 PolarHBondContact O-N 2.76Å; K96-Y100 WeakPolarHBondContact O-CB 3.17Å; K96-Y100 PolarHBondContact O-N 3.28Å; K96-Y100 VanDerWaalsContact O-N 3.17Å
97	M	82.6	Confident	85.1	Confident	99 Å²	99	94.9 Å²	94.9	49%	0.488	45%	0.45	S	S	.	.	H	α-helix	trans	-71	-41.6	174.8	-64.5	-162.3	-49.4	0	0	113.2	R93 R94 I95 Y100 A101	R93-M97 WeakPolarHBondContact O-CG 3.25Å; R93-M97 PolarHBondContact O-N 3.38Å; R93-M97 VanDerWaalsContact O-N 3.08Å; R94-M97 PolarHBondContact O-N 3.11Å; R94-M97 VanDerWaalsContact O-N 3.17Å; I95-M97 VanDerWaalsContact C-N 3.27Å; I95-M97 PolarHBondContact O-N 3.41Å; M97-Y100 WeakPolarHBondContact O-CB 3.41Å; M97-Y100 PolarHBondContact O-N 3.49Å; M97-A101 PolarHBondContact O-N 3.09Å
98	L	86.5	Confident	84.9	Confident	122 Å²	122	96.9 Å²	96.9	64%	0.639	46%	0.455	S	S	*	.	H	α-helix	trans	-66.5	-40.7	178.5	-72.1	169.5	0	0	0	111.6	R94 I95 Y100 A101 L102	R94-L98 WeakPolarHBondContact O-CG 3.4Å; R94-L98 PolarHBondContact O-N 3.23Å; I95-L98 PolarHBondContact O-N 2.93Å; I95-L98 VanDerWaalsContact O-N 3.16Å; L98-Y100 VanDerWaalsContact C-N 3.32Å; L98-Y100 PolarHBondContact O-N 2.99Å; L98-A101 PolarHBondContact O-N 2.82Å; L98-L102 VanDerWaalsContact O-CB 3.27Å; L98-L102 WeakPolarHBondContact O-CB 3.33Å; L98-L102 PolarHBondContact O-N 3.38Å
99	E	84.8	Confident	84.4	Confident	91 Å²	91	97.9 Å²	97.9	43%	0.425	46%	0.457	S	S	.	.	H	α-helix	trans	-58.7	-43.2	170.1	-78.8	-170.8	-151.8	0	0	112.4	I95 L102 K103	I95-E99 PolarHBondContact O-N 2.88Å; E99-L102 PolarHBondContact O-N 3.07Å; E99-K103 WeakPolarHBondContact O-CB 3.33Å; E99-K103 WeakPolarHBondContact O-CD 3.17Å; E99-K103 WeakPolarHBondContact O-CG 3.47Å; E99-K103 PolarHBondContact O-N 2.97Å; E99-K103 IonicContact OE2-NZ 3.64Å; E99-K103 PolarHBondContact OE2-NZ 3.06Å
100	Y	85	Confident	84	Confident	57 Å²	57	94.1 Å²	94.1	22%	0.224	44%	0.441	C	S	.	.	H	α-helix	trans	-64.2	-46.2	179.2	-175.7	-94.2	0	0	0	111.4	K96 M97 L98 K103 Q104 I123	K96-Y100 WeakPolarHBondContact O-CB 3.17Å; K96-Y100 PolarHBondContact O-N 3.28Å; K96-Y100 VanDerWaalsContact O-N 3.17Å; M97-Y100 WeakPolarHBondContact O-CB 3.41Å; M97-Y100 PolarHBondContact O-N 3.49Å; L98-Y100 VanDerWaalsContact C-N 3.32Å; L98-Y100 PolarHBondContact O-N 2.99Å; Y100-K103 PolarHBondContact O-N 3.07Å; Y100-Q104 HydrophobicContact CD1-CG 4.49Å; Y100-Q104 HydrophobicContact CE1-CG 4.16Å; Y100-Q104 PolarHBondContact O-N 3.01Å; Y100-Q104 PolarHBondContact OH-NE2 3.14Å; Y100-I123 HydrophobicContact CD2-CG2 4.07Å; Y100-I123 HydrophobicContact CE2-CB 4.4Å; Y100-I123 HydrophobicContact CE2-CG2 3.7Å; Y100-I123 WeakPolarHBondContact CE2-O 3.28Å; Y100-I123 PolarHBondContact OH-O 3.08Å
101	A	85.4	Confident	83.7	Confident	46 Å²	46	96.9 Å²	96.9	38%	0.38	45%	0.45	S	S	.	.	H	α-helix	trans	-61.1	-44.7	174.8	0	0	0	0	0	111.9	M97 L98 K103 Q104 E105	M97-A101 PolarHBondContact O-N 3.09Å; L98-A101 PolarHBondContact O-N 2.82Å; A101-K103 VanDerWaalsContact C-N 3.34Å; A101-K103 PolarHBondContact O-N 3.13Å; A101-Q104 PolarHBondContact O-N 2.88Å; A101-E105 WeakPolarHBondContact O-CG 3.1Å; A101-E105 PolarHBondContact O-N 2.88Å
102	L	86.9	Confident	83.3	Confident	87 Å²	87	99.5 Å²	99.5	46%	0.455	46%	0.464	S	S	.	.	H	α-helix	trans	-64.4	-35.9	177.3	-175	64.4	0	0	0	112.4	L98 E99 R106	L98-L102 VanDerWaalsContact O-CB 3.27Å; L98-L102 WeakPolarHBondContact O-CB 3.33Å; L98-L102 PolarHBondContact O-N 3.38Å; E99-L102 PolarHBondContact O-N 3.07Å; L102-R106 WeakPolarHBondContact O-CB 3.13Å; L102-R106 VanDerWaalsContact O-CG 3.23Å; L102-R106 WeakPolarHBondContact O-CG 3.48Å; L102-R106 PolarHBondContact O-N 2.8Å
103	K	85.3	Confident	82.8	Confident	87 Å²	87	101.5 Å²	101.5	38%	0.378	47%	0.467	S	S	.	.	H	α-helix	trans	-64.9	-44.1	172.6	-74.8	159.6	-176.5	159.2	0	111	E99 Y100 A101 R106 A107	E99-K103 WeakPolarHBondContact O-CB 3.33Å; E99-K103 WeakPolarHBondContact O-CD 3.17Å; E99-K103 WeakPolarHBondContact O-CG 3.47Å; E99-K103 PolarHBondContact O-N 2.97Å; E99-K103 IonicContact OE2-NZ 3.64Å; E99-K103 PolarHBondContact OE2-NZ 3.06Å; Y100-K103 PolarHBondContact O-N 3.07Å; A101-K103 VanDerWaalsContact C-N 3.34Å; A101-K103 PolarHBondContact O-N 3.13Å; K103-R106 PolarHBondContact O-N 3.16Å; K103-A107 WeakPolarHBondContact O-CB 3.5Å; K103-A107 PolarHBondContact O-N 2.82Å
104	Q	82.1	Confident	82.5	Confident	107 Å²	107	102 Å²	102	50%	0.5	47%	0.47	S	S	.	.	H	α-helix	trans	-62.8	-45.5	174.3	-72.2	-165.6	-14.2	0	0	112.7	Y100 A101 A107 K108	Y100-Q104 HydrophobicContact CD1-CG 4.49Å; Y100-Q104 HydrophobicContact CE1-CG 4.16Å; Y100-Q104 PolarHBondContact O-N 3.01Å; Y100-Q104 PolarHBondContact OH-NE2 3.14Å; A101-Q104 PolarHBondContact O-N 2.88Å; Q104-A107 PolarHBondContact O-N 2.86Å; Q104-K108 VanDerWaalsContact O-CB 3.31Å; Q104-K108 WeakPolarHBondContact O-CB 3.23Å; Q104-K108 PolarHBondContact O-N 3.27Å
105	E	82.6	Confident	81.8	Confident	120 Å²	120	99 Å²	99	56%	0.561	48%	0.48	S	S	*	.	H	α-helix	trans	-60.2	-46.2	176.5	-77.4	-100.7	103.7	0	0	111.7	A101 A107 K108 Y109	A101-E105 WeakPolarHBondContact O-CG 3.1Å; A101-E105 PolarHBondContact O-N 2.88Å; E105-A107 PolarHBondContact O-N 2.84Å; E105-K108 PolarHBondContact O-N 3.26Å; E105-Y109 WeakPolarHBondContact O-CB 3.26Å; E105-Y109 PolarHBondContact O-N 3.46Å
106	R	82.4	Confident	80.8	Confident	145 Å²	145	98.3 Å²	98.3	55%	0.547	48%	0.48	S	S	.	.	H	α-helix	trans	-62.4	-42.4	176.6	-74.7	173.9	177.1	-160.1	-2	112.2	L102 K103 H110	L102-R106 WeakPolarHBondContact O-CB 3.13Å; L102-R106 VanDerWaalsContact O-CG 3.23Å; L102-R106 WeakPolarHBondContact O-CG 3.48Å; L102-R106 PolarHBondContact O-N 2.8Å; K103-R106 PolarHBondContact O-N 3.16Å; R106-H110 WeakPolarHBondContact O-CB 3.36Å; R106-H110 PolarHBondContact O-N 2.89Å
107	A	78.6	Confident	79.7	Confident	31 Å²	31	99.8 Å²	99.8	26%	0.256	49%	0.489	S	S	.	.	H	α-helix	trans	-63.9	-43.1	175.6	0	0	0	0	0	112.1	K103 Q104 E105 H110 K111	K103-A107 WeakPolarHBondContact O-CB 3.5Å; K103-A107 PolarHBondContact O-N 2.82Å; Q104-A107 PolarHBondContact O-N 2.86Å; E105-A107 PolarHBondContact O-N 2.84Å; A107-H110 PolarHBondContact O-N 3.39Å; A107-K111 WeakPolarHBondContact O-CB 3.43Å; A107-K111 PolarHBondContact O-N 3.07Å
108	K	80.8	Confident	78.7	Confident	129 Å²	129	98.6 Å²	98.6	56%	0.561	48%	0.484	S	S	*	.	H	α-helix	trans	-63.3	-46.7	176	-179.1	-175.8	171.5	-163.3	0	111.8	Q104 E105 K111 L112	Q104-K108 VanDerWaalsContact O-CB 3.31Å; Q104-K108 WeakPolarHBondContact O-CB 3.23Å; Q104-K108 PolarHBondContact O-N 3.27Å; E105-K108 PolarHBondContact O-N 3.26Å; K108-K111 PolarHBondContact O-N 2.86Å; K108-L112 HydrophobicContact CG-CD1 4.24Å; K108-L112 VanDerWaalsContact O-CD1 3.24Å; K108-L112 WeakPolarHBondContact O-CD1 3.48Å; K108-L112 PolarHBondContact O-N 2.96Å
109	Y	79.5	Confident	77.2	Confident	149 Å²	149	100.4 Å²	100.4	58%	0.584	50%	0.495	S	S	*	.	H	α-helix	trans	-62.1	-42.8	176.6	178.4	-100.3	0	0	0	111.9	E105 K111 L112 K113	E105-Y109 WeakPolarHBondContact O-CB 3.26Å; E105-Y109 PolarHBondContact O-N 3.46Å; Y109-K111 PolarHBondContact O-N 2.86Å; Y109-L112 PolarHBondContact O-N 3.25Å; Y109-K113 HydrophobicContact CE1-CD 3.7Å; Y109-K113 WeakPolarHBondContact O-CB 3.48Å; Y109-K113 PolarHBondContact O-N 3.43Å
110	H	77.4	Confident	75.8	Confident	50 Å²	50	101 Å²	101	23%	0.231	50%	0.498	C	S	.	.	H	α-helix	trans	-60.4	-45.8	174.6	-171.4	-74.5	0	0	0	111.9	R106 A107 L112 K113 Y114 T116 L118	R106-H110 WeakPolarHBondContact O-CB 3.36Å; R106-H110 PolarHBondContact O-N 2.89Å; A107-H110 PolarHBondContact O-N 3.39Å; H110-L112 VanDerWaalsContact C-N 3.31Å; H110-L112 PolarHBondContact O-N 2.96Å; H110-K113 PolarHBondContact O-N 2.91Å; H110-Y114 AromaticContact CD2-CD2 3.64Å; H110-Y114 AromaticContact CE1-CD2 3.95Å; H110-Y114 AromaticContact CG-CD2 3.91Å; H110-Y114 AromaticContact NE2-CD2 3.68Å; H110-Y114 PolarHBondContact O-N 3.03Å; H110-T116 PolarHBondContact ND1-O 3.19Å; H110-T116 VanDerWaalsContact ND1-O 3.08Å; H110-L118 HydrophobicContact CB-CD1 3.6Å; H110-L118 HydrophobicContact CB-CG 4.05Å
111	K	78	Confident	74.2	Confident	107 Å²	107	101.4 Å²	101.4	47%	0.465	52%	0.519	S	S	.	.	H	α-helix	trans	-59.7	-40.3	177.1	-174.1	175.7	179.5	172.2	0	112.1	A107 K108 Y109 G115 E117	A107-K111 WeakPolarHBondContact O-CB 3.43Å; A107-K111 PolarHBondContact O-N 3.07Å; K108-K111 PolarHBondContact O-N 2.86Å; Y109-K111 PolarHBondContact O-N 2.86Å; K111-G115 WeakPolarHBondContact O-CA 3.22Å; K111-G115 PolarHBondContact O-N 2.97Å; K111-E117 HydrophobicContact CD-CG 4.05Å; K111-E117 VanDerWaalsContact CE-OE1 3.25Å; K111-E117 WeakPolarHBondContact CE-OE1 3.45Å; K111-E117 HydrophobicContact CG-CG 4.4Å; K111-E117 IonicContact NZ-OE1 2.83Å; K111-E117 PolarHBondContact NZ-OE1 3.13Å
112	L	76.7	Confident	72.3	Confident	141 Å²	141	106.2 Å²	106.2	74%	0.738	54%	0.538	S	S	*	.	H	α-helix	trans	-67.6	-41.6	174	-93.7	78	0	0	0	112.8	K108 Y109 H110	K108-L112 HydrophobicContact CG-CD1 4.24Å; K108-L112 VanDerWaalsContact O-CD1 3.24Å; K108-L112 WeakPolarHBondContact O-CD1 3.48Å; K108-L112 PolarHBondContact O-N 2.96Å; Y109-L112 PolarHBondContact O-N 3.25Å; H110-L112 VanDerWaalsContact C-N 3.31Å; H110-L112 PolarHBondContact O-N 2.96Å
113	K	77.8	Confident	70.9	Confident	112 Å²	112	105.4 Å²	105.4	49%	0.487	53%	0.533	S	S	.	.	H	α-helix	trans	-82.6	-32.9	-171	-173.8	172.5	179.8	-174.6	0	114.3	Y109 H110	Y109-K113 HydrophobicContact CE1-CD 3.7Å; Y109-K113 WeakPolarHBondContact O-CB 3.48Å; Y109-K113 PolarHBondContact O-N 3.43Å; H110-K113 PolarHBondContact O-N 2.91Å
114	Y	77.7	Confident	69.3	Low	130 Å²	130	109.1 Å²	109.1	51%	0.51	55%	0.55	S	S	.	.	H	α-helix	trans	-121	6.2	-172.6	-59.5	-75.1	0	0	0	113.7	H110 T116	H110-Y114 AromaticContact CD2-CD2 3.64Å; H110-Y114 AromaticContact CE1-CD2 3.95Å; H110-Y114 AromaticContact CG-CD2 3.91Å; H110-Y114 AromaticContact NE2-CD2 3.68Å; H110-Y114 PolarHBondContact O-N 3.03Å; Y114-T116 PolarHBondContact O-N 3.48Å; Y114-T116 PolarHBondContact O-OG1 2.8Å
115	G	68.3	Low	68.1	Low	69 Å²	69	108.4 Å²	108.4	71%	0.711	55%	0.554	S	S	*	*	S	Bend	trans	62.1	7.3	177.1	0	0	0	0	0	115.4	K111	K111-G115 WeakPolarHBondContact O-CA 3.22Å; K111-G115 PolarHBondContact O-N 2.97Å
116	T	71.8	Confident	66.7	Low	79 Å²	79	105.5 Å²	105.5	49%	0.485	55%	0.546	S	S	.	.	S	Bend	trans	-130.1	137.7	-168.7	41.1	0	0	0	0	110	H110 Y114	H110-T116 PolarHBondContact ND1-O 3.19Å; H110-T116 VanDerWaalsContact ND1-O 3.08Å; Y114-T116 PolarHBondContact O-N 3.48Å; Y114-T116 PolarHBondContact O-OG1 2.8Å
117	E	64.4	Low	65.2	Low	138 Å²	138	103.5 Å²	103.5	65%	0.645	55%	0.554	S	S	*	*			trans	-79.3	128.6	-178.7	-56.2	-162	128.5	0	0	110.6	K111 N119	K111-E117 HydrophobicContact CD-CG 4.05Å; K111-E117 VanDerWaalsContact CE-OE1 3.25Å; K111-E117 WeakPolarHBondContact CE-OE1 3.45Å; K111-E117 HydrophobicContact CG-CG 4.4Å; K111-E117 IonicContact NZ-OE1 2.83Å; K111-E117 PolarHBondContact NZ-OE1 3.13Å; E117-N119 PolarHBondContact O-N 2.94Å; E117-N119 VanDerWaalsContact O-N 3.14Å
118	L	60.8	Low	64.1	Low	73 Å²	73	108.1 Å²	108.1	38%	0.382	57%	0.566	S	S	.	*			trans	-68.9	109.1	171.4	-99.3	172.3	0	0	0	108.9	H110 Q120	H110-L118 HydrophobicContact CB-CD1 3.6Å; H110-L118 HydrophobicContact CB-CG 4.05Å; L118-Q120 PolarHBondContact O-N 3.35Å
119	N	55.6	Low	62.4	Low	161 Å²	161	109.3 Å²	109.3	86%	0.861	58%	0.578	S	S	*	*			trans	-78.7	62.9	-175.8	-156.6	0.4	0	0	0	111.9	E117	E117-N119 PolarHBondContact O-N 2.94Å; E117-N119 VanDerWaalsContact O-N 3.14Å
120	Q	54.8	Low	60.8	Low	104 Å²	104	107 Å²	107	49%	0.486	58%	0.584	S	S	.	*			trans	-88.7	105.2	167.3	-67.3	-176.3	10	0	0	107.7	L118 I123	L118-Q120 PolarHBondContact O-N 3.35Å; Q120-I123 HydrophobicContact CB-CD1 3.94Å; Q120-I123 HydrophobicContact CB-CG1 4.38Å
121	G	50.5	Low	59.1	Low	65 Å²	65	111.7 Å²	111.7	67%	0.67	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.1	138	-168.3	0	0	0	0	0	114.5	I123	G121-I123 PolarHBondContact O-N 2.74Å; G121-I123 VanDerWaalsContact O-N 3.09Å
122	D	46	Very low	57.4	Low	147 Å²	147	116.2 Å²	116.2	79%	0.786	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	18.1	71	173	-72	1	0	0	0	116.1	K124	D122-K124 PolarHBondContact O-N 2.78Å
123	I	57.1	Low	55.5	Low	69 Å²	69	113.3 Å²	113.3	35%	0.354	63%	0.63	S	S	.	*			trans	-73.2	74.3	178.5	-35.9	-179.2	0	0	0	110.6	Y100 Q120 G121	Y100-I123 HydrophobicContact CD2-CG2 4.07Å; Y100-I123 HydrophobicContact CE2-CB 4.4Å; Y100-I123 HydrophobicContact CE2-CG2 3.7Å; Y100-I123 WeakPolarHBondContact CE2-O 3.28Å; Y100-I123 PolarHBondContact OH-O 3.08Å; Q120-I123 HydrophobicContact CB-CD1 3.94Å; Q120-I123 HydrophobicContact CB-CG1 4.38Å; G121-I123 PolarHBondContact O-N 2.74Å; G121-I123 VanDerWaalsContact O-N 3.09Å
124	K	53.5	Low	53.5	Low	166 Å²	166	115.3 Å²	115.3	72%	0.722	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-57.6	147.8	171.1	-71.4	179.6	-179.8	175.5	0	110.3	D122	D122-K124 PolarHBondContact O-N 2.78Å
125	P	56.2	Low	51.5	Low	92 Å²	92	118.4 Å²	118.4	60%	0.597	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-61.4	156	171.6	28.7	-35.6	0	0	0	110.4	S127	P125-S127 PolarHBondContact O-N 2.65Å
126	P	52.3	Low	50	Low	59 Å²	59	121.8 Å²	121.8	38%	0.383	67%	0.667	S	S	.	*	P	Polyproline II helix	trans	-55.4	127.9	176.6	-24.7	34.3	0	0	0	111.9
127	S	52.1	Low	47.9	Very low	103 Å²	103	125.5 Å²	125.5	72%	0.72	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-65.9	142.4	167.9	-169.5	0	0	0	0	109.6	P125	P125-S127 PolarHBondContact O-N 2.65Å
128	Y	55.6	Low	46.8	Very low	127 Å²	127	124.9 Å²	124.9	50%	0.498	70%	0.695	S	S	.	*	S	Bend	trans	-96.5	-19.6	-175.4	-94.8	-64.1	0	0	0	115.2	R93	R93-Y128 WeakPolarHBondContact CD-OH 3.39Å; R93-Y128 HydrophobicContact CG-CE1 3.99Å; R93-Y128 VanDerWaalsContact CG-OH 3.3Å; R93-Y128 WeakPolarHBondContact CG-OH 3.21Å
129	D	43.8	Very low	45.6	Very low	154 Å²	154	126.8 Å²	126.8	82%	0.824	71%	0.714	S	S	*	*	S	Bend	trans	-117.7	88.8	178.6	-65.5	-60.6	0	0	0	110
130	S	46.7	Very low	44.5	Very low	101 Å²	101	122.1 Å²	122.1	71%	0.706	70%	0.704	S	S	*	*			trans	-170.7	55.4	172.4	-178.5	0	0	0	0	112.7
131	D	41	Very low	43.7	Very low	149 Å²	149	123.4 Å²	123.4	80%	0.797	73%	0.725	S	S	*	*			trans	-129.2	15.3	169.4	-89	-40.5	0	0	0	112.8	A133	D131-A133 PolarHBondContact O-N 3.03Å
132	E	43.8	Very low	43.2	Very low	201 Å²	201	126.9 Å²	126.9	94%	0.939	73%	0.727	S	S	*	*			trans	-77.4	65.2	163.7	-79.5	-76.3	134.3	0	0	109.8	N134	E132-N134 PolarHBondContact O-N 2.93Å
133	A	35.8	Very low	42.9	Very low	81 Å²	81	125.8 Å²	125.8	67%	0.669	72%	0.721	S	S	*	*			trans	-77.3	113	174.9	0	0	0	0	0	109.8	D131 E135	D131-A133 PolarHBondContact O-N 3.03Å; A133-E135 PolarHBondContact O-N 3.42Å
134	N	35.1	Very low	42.4	Very low	153 Å²	153	129.4 Å²	129.4	82%	0.818	74%	0.741	S	S	*	*			trans	-63	89.2	-177.8	-179	32.8	0	0	0	112.5	E132 N136	E132-N134 PolarHBondContact O-N 2.93Å; N134-N136 VanDerWaalsContact C-N 3.3Å; N134-N136 PolarHBondContact O-N 2.98Å
135	E	36.2	Very low	42	Very low	195 Å²	195	128 Å²	128	91%	0.911	74%	0.738	S	S	*	*			trans	-69.6	78.2	176.6	-72.6	-159.4	157.1	0	0	112.2	A133	A133-E135 PolarHBondContact O-N 3.42Å
136	N	36.9	Very low	41.7	Very low	140 Å²	140	128.3 Å²	128.3	75%	0.749	73%	0.733	S	S	*	*			trans	-146.9	49.2	169.7	-162.6	39.8	0	0	0	113.3	N134	N134-N136 VanDerWaalsContact C-N 3.3Å; N134-N136 PolarHBondContact O-N 2.98Å
137	D	28.9	Very low	41.9	Very low	157 Å²	157	129.5 Å²	129.5	84%	0.84	74%	0.743	S	S	*	*			trans	-143.3	105.3	162.4	-137	-23.4	0	0	0	111.5	S139	D137-S139 PolarHBondContact O-N 3.04Å
138	S	40.2	Very low	41.4	Very low	126 Å²	126	134 Å²	134	88%	0.881	75%	0.745	S	S	*	*			trans	-97.1	86.9	-169.6	63.4	0	0	0	0	112.3
139	S	35.1	Very low	41.6	Very low	112 Å²	112	134 Å²	134	78%	0.783	75%	0.747	S	S	*	*			trans	-153.5	152.3	169.1	69.7	0	0	0	0	114.2	D137	D137-S139 PolarHBondContact O-N 3.04Å
140	G	32.6	Very low	42.4	Very low	64 Å²	64	132.7 Å²	132.7	66%	0.66	74%	0.736	S	S	*	*			trans	90.5	66.6	159.6	0	0	0	0	0	118.8	L142	G140-L142 PolarHBondContact O-N 2.85Å
141	S	38.4	Very low	43.5	Very low	130 Å²	130	129.9 Å²	129.9	91%	0.909	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	33.2	177.2	-170.8	0	0	0	0	116.1
142	L	40.1	Very low	44.6	Very low	139 Å²	139	130.8 Å²	130.8	73%	0.728	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.9	-25.7	-171.6	-78.1	164.8	0	0	0	115.5	G140 N144	G140-L142 PolarHBondContact O-N 2.85Å; L142-N144 PolarHBondContact O-N 3.04Å
143	N	40.6	Very low	45.6	Very low	124 Å²	124	127.4 Å²	127.4	66%	0.663	70%	0.699	S	S	*	*	H	α-helix	trans	-67.7	-29.1	-171.5	-95.3	-13.6	0	0	0	115	Q145 L146 S147	N143-Q145 VanDerWaalsContact C-N 3.35Å; N143-Q145 PolarHBondContact O-N 3.18Å; N143-L146 PolarHBondContact O-N 2.94Å; N143-S147 PolarHBondContact O-N 3.26Å
144	N	45.5	Very low	47.3	Very low	144 Å²	144	127.5 Å²	127.5	77%	0.77	69%	0.688	S	S	*	*	H	α-helix	trans	-67.2	-31.1	-173.9	-74.4	-6.7	0	0	0	113.7	L142 W148	L142-N144 PolarHBondContact O-N 3.04Å; N144-W148 PolarHBondContact O-N 3.19Å; N144-W148 VanDerWaalsContact O-N 3.15Å
145	Q	45.4	Very low	48.6	Very low	138 Å²	138	125.3 Å²	125.3	65%	0.645	68%	0.676	S	S	*	*	H	α-helix	trans	-70	-36.4	175.7	-77.2	-163	0.3	0	0	112.6	N143 K149	N143-Q145 VanDerWaalsContact C-N 3.35Å; N143-Q145 PolarHBondContact O-N 3.18Å; Q145-K149 WeakPolarHBondContact O-CB 3.42Å; Q145-K149 VanDerWaalsContact O-CG 3.31Å; Q145-K149 WeakPolarHBondContact O-CG 3.28Å; Q145-K149 PolarHBondContact O-N 3.4Å
146	L	48.7	Very low	49.9	Very low	97 Å²	97	121 Å²	121	51%	0.508	65%	0.652	S	S	.	*	H	α-helix	trans	-67.2	-43.3	178.3	-74.1	164.7	0	0	0	111	N143 K149 H150	N143-L146 PolarHBondContact O-N 2.94Å; L146-K149 PolarHBondContact O-N 2.75Å; L146-H150 PolarHBondContact O-N 3.32Å; L146-H150 VanDerWaalsContact O-N 3.1Å; L146-H150 PolarHBondContact O-ND1 3.43Å
147	S	58	Low	51.2	Low	85 Å²	85	119 Å²	119	59%	0.594	64%	0.637	S	S	*	*	H	α-helix	trans	-57.7	-50.9	174.1	-179.6	0	0	0	0	112	N143 K149 H150 G151	N143-S147 PolarHBondContact O-N 3.26Å; S147-K149 PolarHBondContact O-N 2.87Å; S147-H150 PolarHBondContact O-N 2.83Å; S147-G151 PolarHBondContact O-N 3.48Å
148	W	41.9	Very low	52.7	Low	196 Å²	196	116.7 Å²	116.7	74%	0.742	62%	0.618	S	S	*	*	H	α-helix	trans	-65.1	-37.6	-179.1	-162.1	-69.1	0	0	0	112.9	N144 R152	N144-W148 PolarHBondContact O-N 3.19Å; N144-W148 VanDerWaalsContact O-N 3.15Å; W148-R152 WeakPolarHBondContact O-CB 3.34Å; W148-R152 PolarHBondContact O-N 3.33Å
149	K	58.3	Low	53.9	Low	128 Å²	128	113.5 Å²	113.5	56%	0.557	59%	0.59	S	S	*	*	H	α-helix	trans	-62.5	-47.1	175.5	-77.1	175	177.9	178.1	0	111.5	Q145 L146 S147 R152 Q153	Q145-K149 WeakPolarHBondContact O-CB 3.42Å; Q145-K149 VanDerWaalsContact O-CG 3.31Å; Q145-K149 WeakPolarHBondContact O-CG 3.28Å; Q145-K149 PolarHBondContact O-N 3.4Å; L146-K149 PolarHBondContact O-N 2.75Å; S147-K149 PolarHBondContact O-N 2.87Å; K149-R152 PolarHBondContact O-N 3.48Å; K149-Q153 PolarHBondContact O-N 2.91Å
150	H	61.9	Low	55.2	Low	126 Å²	126	113.1 Å²	113.1	58%	0.583	58%	0.576	S	S	*	*	H	α-helix	trans	-62.3	-45.6	176.3	-76.2	84	0	0	0	112.3	L146 S147 R152 Q153 L154	L146-H150 PolarHBondContact O-N 3.32Å; L146-H150 VanDerWaalsContact O-N 3.1Å; L146-H150 PolarHBondContact O-ND1 3.43Å; S147-H150 PolarHBondContact O-N 2.83Å; H150-R152 VanDerWaalsContact C-N 3.26Å; H150-R152 PolarHBondContact O-N 2.96Å; H150-Q153 PolarHBondContact O-N 3.35Å; H150-L154 WeakPolarHBondContact O-CB 3.21Å; H150-L154 PolarHBondContact O-N 2.63Å
151	G	68.1	Low	56.8	Low	42 Å²	42	116 Å²	116	43%	0.433	57%	0.573	S	S	.	*	H	α-helix	trans	-58.9	-37.4	175.9	0	0	0	0	0	112.9	S147 L155	S147-G151 PolarHBondContact O-N 3.48Å; G151-L155 WeakPolarHBondContact O-CB 3.31Å; G151-L155 PolarHBondContact O-N 2.91Å
152	R	66	Low	58.2	Low	169 Å²	169	115.2 Å²	115.2	64%	0.638	56%	0.562	S	S	*	*	H	α-helix	trans	-73.9	-32	178.2	-158.8	173.8	-167.4	169.5	4.3	113.2	W148 K149 H150 R156	W148-R152 WeakPolarHBondContact O-CB 3.34Å; W148-R152 PolarHBondContact O-N 3.33Å; K149-R152 PolarHBondContact O-N 3.48Å; H150-R152 VanDerWaalsContact C-N 3.26Å; H150-R152 PolarHBondContact O-N 2.96Å; R152-R156 PolarHBondContact O-N 3.02Å
153	Q	64.9	Low	58.9	Low	129 Å²	129	110.9 Å²	110.9	60%	0.603	55%	0.551	S	S	*	*	H	α-helix	trans	-71.4	-43.8	171.4	-75.5	174.5	-79.6	0	0	111.7	K149 H150 L155 R156 Q157	K149-Q153 PolarHBondContact O-N 2.91Å; H150-Q153 PolarHBondContact O-N 3.35Å; Q153-L155 VanDerWaalsContact C-N 3.28Å; Q153-L155 PolarHBondContact O-N 2.9Å; Q153-R156 WeakPolarHBondContact O-CB 3.45Å; Q153-R156 PolarHBondContact O-N 3.26Å; Q153-R156 VanDerWaalsContact O-N 3.12Å; Q153-Q157 PolarHBondContact O-N 2.67Å
154	L	70.9	Confident	59.9	Low	84 Å²	84	109.3 Å²	109.3	44%	0.44	54%	0.536	S	S	.	.	H	α-helix	trans	-61.8	-36.8	176.4	-170.6	67.6	0	0	0	111.8	H150 Q157 Y158	H150-L154 WeakPolarHBondContact O-CB 3.21Å; H150-L154 PolarHBondContact O-N 2.63Å; L154-Q157 PolarHBondContact O-N 3.25Å; L154-Y158 HydrophobicContact CD1-CE2 4.04Å; L154-Y158 HydrophobicContact CD2-CE2 4.05Å; L154-Y158 HydrophobicContact CG-CD2 4.12Å; L154-Y158 HydrophobicContact CG-CE2 3.68Å; L154-Y158 VanDerWaalsContact O-CD2 3.29Å; L154-Y158 WeakPolarHBondContact O-CD2 3.34Å; L154-Y158 PolarHBondContact O-N 2.98Å
155	L	62	Low	61.3	Low	107 Å²	107	105 Å²	105	56%	0.56	52%	0.516	S	S	*	.	H	α-helix	trans	-66.6	-38.9	173.5	-171.6	66	0	0	0	112.7	G151 Q153 L159	G151-L155 WeakPolarHBondContact O-CB 3.31Å; G151-L155 PolarHBondContact O-N 2.91Å; Q153-L155 VanDerWaalsContact C-N 3.28Å; Q153-L155 PolarHBondContact O-N 2.9Å; L155-L159 HydrophobicContact CG-CD1 4.33Å; L155-L159 WeakPolarHBondContact O-CG 3.22Å; L155-L159 PolarHBondContact O-N 3.27Å
156	R	63.6	Low	62.1	Low	105 Å²	105	101.3 Å²	101.3	40%	0.396	50%	0.5	S	S	.	.	H	α-helix	trans	-62.7	-44	171.6	-79.4	-168.9	-177.5	-95.7	6.2	111.3	R152 Q153 Y158 L159 Q160 D166	R152-R156 PolarHBondContact O-N 3.02Å; Q153-R156 WeakPolarHBondContact O-CB 3.45Å; Q153-R156 PolarHBondContact O-N 3.26Å; Q153-R156 VanDerWaalsContact O-N 3.12Å; R156-Y158 PolarHBondContact O-N 3.24Å; R156-L159 PolarHBondContact O-N 3.35Å; R156-Q160 WeakPolarHBondContact O-CB 3.4Å; R156-Q160 PolarHBondContact O-N 3.12Å; R156-D166 IonicContact CZ-OD1 2.81Å; R156-D166 IonicContact NH1-OD1 2.63Å; R156-D166 PolarHBondContact NH1-OD1 3.26Å
157	Q	63.8	Low	62.8	Low	96 Å²	96	101.4 Å²	101.4	45%	0.449	51%	0.505	S	S	.	.	H	α-helix	trans	-58.5	-48.4	177.4	-174.6	-177	-24.2	0	0	111.6	Q153 L154 L159 Q160 E161	Q153-Q157 PolarHBondContact O-N 2.67Å; L154-Q157 PolarHBondContact O-N 3.25Å; Q157-L159 VanDerWaalsContact C-N 3.33Å; Q157-L159 PolarHBondContact O-N 3.49Å; Q157-Q160 PolarHBondContact O-N 2.79Å; Q157-E161 WeakPolarHBondContact CG-OE1 3.23Å; Q157-E161 PolarHBondContact NE2-OE1 2.93Å; Q157-E161 WeakPolarHBondContact O-CG 3.5Å; Q157-E161 PolarHBondContact O-N 3.19Å
158	Y	59.4	Low	63.3	Low	110 Å²	110	100.7 Å²	100.7	43%	0.431	49%	0.494	S	S	.	.	H	α-helix	trans	-65	-33.1	176.8	-72.5	-49.1	0	0	0	113.6	L154 R156 E161 V162	L154-Y158 HydrophobicContact CD1-CE2 4.04Å; L154-Y158 HydrophobicContact CD2-CE2 4.05Å; L154-Y158 HydrophobicContact CG-CD2 4.12Å; L154-Y158 HydrophobicContact CG-CE2 3.68Å; L154-Y158 VanDerWaalsContact O-CD2 3.29Å; L154-Y158 WeakPolarHBondContact O-CD2 3.34Å; L154-Y158 PolarHBondContact O-N 2.98Å; R156-Y158 PolarHBondContact O-N 3.24Å; Y158-E161 WeakPolarHBondContact CD1-OE2 3.49Å; Y158-V162 WeakPolarHBondContact O-CB 3.35Å; Y158-V162 VanDerWaalsContact O-CG2 3.26Å; Y158-V162 WeakPolarHBondContact O-CG2 3.46Å; Y158-V162 PolarHBondContact O-N 2.68Å
159	L	66.4	Low	64.6	Low	58 Å²	58	93.1 Å²	93.1	30%	0.304	47%	0.468	S	S	.	.	H	α-helix	trans	-65.4	-43.5	172.7	-76.7	164.4	0	0	0	111	L155 R156 Q157 V162 G163 Y164 L169	L155-L159 HydrophobicContact CG-CD1 4.33Å; L155-L159 WeakPolarHBondContact O-CG 3.22Å; L155-L159 PolarHBondContact O-N 3.27Å; R156-L159 PolarHBondContact O-N 3.35Å; Q157-L159 VanDerWaalsContact C-N 3.33Å; Q157-L159 PolarHBondContact O-N 3.49Å; L159-V162 CarbonylContact O-C 3.43Å; L159-V162 WeakPolarHBondContact O-CA 3.39Å; L159-V162 PolarHBondContact O-N 2.71Å; L159-V162 VanDerWaalsContact O-N 3.1Å; L159-G163 PolarHBondContact O-N 3.29Å; L159-Y164 CarbonylContact C-O 3.52Å; L159-Y164 HydrophobicContact CD2-CD2 4.44Å; L159-Y164 HydrophobicContact CD2-CG 4.46Å; L159-Y164 WeakPolarHBondContact O-CA 3.38Å; L159-Y164 WeakPolarHBondContact O-CB 3.27Å; L159-Y164 PolarHBondContact O-N 2.83Å; L159-L169 HydrophobicContact CB-CD1 4.23Å; L159-L169 HydrophobicContact CD1-CD1 4.06Å; L159-L169 HydrophobicContact CD1-CD2 4.17Å
160	Q	62.8	Low	65	Low	105 Å²	105	90.8 Å²	90.8	49%	0.491	46%	0.461	S	S	.	.	H	α-helix	trans	-65	-40.1	177.6	-165.2	171.9	22.8	0	0	112.2	R156 Q157 V162 G163 Y164	R156-Q160 WeakPolarHBondContact O-CB 3.4Å; R156-Q160 PolarHBondContact O-N 3.12Å; Q157-Q160 PolarHBondContact O-N 2.79Å; Q160-V162 PolarHBondContact O-N 3.33Å; Q160-G163 PolarHBondContact O-N 2.62Å; Q160-Y164 WeakPolarHBondContact CA-O 3.44Å; Q160-Y164 PolarHBondContact N-O 3.25Å
161	E	66.9	Low	65.4	Low	125 Å²	125	89.1 Å²	89.1	58%	0.584	46%	0.46	S	S	*	.	H	α-helix	trans	-63.2	-24	171.8	-73.9	173.7	-166.7	0	0	113.1	Q157 Y158	Q157-E161 WeakPolarHBondContact CG-OE1 3.23Å; Q157-E161 PolarHBondContact NE2-OE1 2.93Å; Q157-E161 WeakPolarHBondContact O-CG 3.5Å; Q157-E161 PolarHBondContact O-N 3.19Å; Y158-E161 WeakPolarHBondContact CD1-OE2 3.49Å
162	V	66.6	Low	65.1	Low	113 Å²	113	92.3 Å²	92.3	69%	0.685	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	9	175.6	176.2	0	0	0	0	111.8	Y158 L159 Q160	Y158-V162 WeakPolarHBondContact O-CB 3.35Å; Y158-V162 VanDerWaalsContact O-CG2 3.26Å; Y158-V162 WeakPolarHBondContact O-CG2 3.46Å; Y158-V162 PolarHBondContact O-N 2.68Å; L159-V162 CarbonylContact O-C 3.43Å; L159-V162 WeakPolarHBondContact O-CA 3.39Å; L159-V162 PolarHBondContact O-N 2.71Å; L159-V162 VanDerWaalsContact O-N 3.1Å; Q160-V162 PolarHBondContact O-N 3.33Å
163	G	55.4	Low	65.3	Low	48 Å²	48	86 Å²	86	50%	0.495	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.1	1.8	176.1	0	0	0	0	0	115.3	L159 Q160 T165	L159-G163 PolarHBondContact O-N 3.29Å; Q160-G163 PolarHBondContact O-N 2.62Å; G163-T165 PolarHBondContact O-N 3.28Å; G163-T165 VanDerWaalsContact O-N 3.14Å
164	Y	62.2	Low	65.4	Low	90 Å²	90	85.9 Å²	85.9	35%	0.353	44%	0.443	S	S	.	.			trans	-82.7	82.5	169.6	-81.4	-81.8	0	0	0	110.4	L159 Q160 I168 L169 K172	L159-Y164 CarbonylContact C-O 3.52Å; L159-Y164 HydrophobicContact CD2-CD2 4.44Å; L159-Y164 HydrophobicContact CD2-CG 4.46Å; L159-Y164 WeakPolarHBondContact O-CA 3.38Å; L159-Y164 WeakPolarHBondContact O-CB 3.27Å; L159-Y164 PolarHBondContact O-N 2.83Å; Q160-Y164 WeakPolarHBondContact CA-O 3.44Å; Q160-Y164 PolarHBondContact N-O 3.25Å; Y164-I168 HydrophobicContact CD1-CB 4.38Å; Y164-I168 HydrophobicContact CD1-CG2 3.67Å; Y164-I168 HydrophobicContact CE1-CG2 3.88Å; Y164-L169 HydrophobicContact CD1-CD2 4.25Å; Y164-K172 PolarHBondContact OH-NZ 3.31Å
165	T	73.5	Confident	65.1	Low	55 Å²	55	90.7 Å²	90.7	34%	0.337	46%	0.455	S	S	.	.			trans	-60.3	153.1	171.1	55.7	0	0	0	0	111.5	G163 T167 I168 L169	G163-T165 PolarHBondContact O-N 3.28Å; G163-T165 VanDerWaalsContact O-N 3.14Å; T165-T167 PolarHBondContact O-N 3.42Å; T165-T167 VanDerWaalsContact O-N 3.09Å; T165-T167 PolarHBondContact OG1-OG1 2.7Å; T165-I168 PolarHBondContact O-N 2.66Å; T165-L169 PolarHBondContact O-N 3.02Å; T165-L169 VanDerWaalsContact O-N 3.17Å
166	D	62.7	Low	65.2	Low	60 Å²	60	89.6 Å²	89.6	32%	0.321	45%	0.453	S	S	.	.	H	α-helix	trans	-55.6	-30.7	179.5	-70.6	-61.2	0	0	0	112.8	R156 I168 L169 D170	R156-D166 IonicContact CZ-OD1 2.81Å; R156-D166 IonicContact NH1-OD1 2.63Å; R156-D166 PolarHBondContact NH1-OD1 3.26Å; D166-I168 PolarHBondContact O-N 3.07Å; D166-L169 PolarHBondContact O-N 3.24Å; D166-D170 WeakPolarHBondContact O-CB 3.4Å; D166-D170 PolarHBondContact O-N 2.86Å
167	T	64.1	Low	65.5	Low	99 Å²	99	90.9 Å²	90.9	61%	0.607	46%	0.458	S	S	*	.	H	α-helix	trans	-58.3	-42.5	172.2	49.7	0	0	0	0	113.3	T165 V171	T165-T167 PolarHBondContact O-N 3.42Å; T165-T167 VanDerWaalsContact O-N 3.09Å; T165-T167 PolarHBondContact OG1-OG1 2.7Å; T167-V171 WeakPolarHBondContact O-CB 3.5Å; T167-V171 VanDerWaalsContact O-CG2 3.28Å; T167-V171 WeakPolarHBondContact O-CG2 3.19Å; T167-V171 PolarHBondContact O-N 3.49Å
168	I	67.9	Low	65.6	Low	70 Å²	70	89.4 Å²	89.4	36%	0.359	46%	0.461	S	S	.	.	H	α-helix	trans	-72.6	-36.8	178.3	-61	169.9	0	0	0	110.1	Y164 T165 D166 K172	Y164-I168 HydrophobicContact CD1-CB 4.38Å; Y164-I168 HydrophobicContact CD1-CG2 3.67Å; Y164-I168 HydrophobicContact CE1-CG2 3.88Å; T165-I168 PolarHBondContact O-N 2.66Å; D166-I168 PolarHBondContact O-N 3.07Å; I168-K172 WeakPolarHBondContact O-CB 3.47Å; I168-K172 WeakPolarHBondContact O-CG 3.3Å; I168-K172 PolarHBondContact O-N 3.39Å
169	L	68.8	Low	65.8	Low	37 Å²	37	91 Å²	91	19%	0.194	48%	0.477	C	S	.	.	H	α-helix	trans	-66.7	-42	176.4	-63.4	176.7	0	0	0	111.7	L159 Y164 T165 D166 K172 S173	L159-L169 HydrophobicContact CB-CD1 4.23Å; L159-L169 HydrophobicContact CD1-CD1 4.06Å; L159-L169 HydrophobicContact CD1-CD2 4.17Å; Y164-L169 HydrophobicContact CD1-CD2 4.25Å; T165-L169 PolarHBondContact O-N 3.02Å; T165-L169 VanDerWaalsContact O-N 3.17Å; D166-L169 PolarHBondContact O-N 3.24Å; L169-K172 PolarHBondContact O-N 3.29Å; L169-S173 WeakPolarHBondContact O-CB 3.12Å; L169-S173 PolarHBondContact O-N 3.35Å
170	D	67.8	Low	65.7	Low	78 Å²	78	93.8 Å²	93.8	42%	0.417	49%	0.491	S	S	.	.	H	α-helix	trans	-75.5	-34.7	179.6	-77.6	-21.8	0	0	0	112.7	D166 S173 Q174	D166-D170 WeakPolarHBondContact O-CB 3.4Å; D166-D170 PolarHBondContact O-N 2.86Å; D170-S173 WeakPolarHBondContact O-CB 3.47Å; D170-S173 PolarHBondContact O-N 3.15Å; D170-Q174 WeakPolarHBondContact O-CB 3.34Å; D170-Q174 WeakPolarHBondContact O-CG 3.48Å; D170-Q174 PolarHBondContact O-N 3.1Å
171	V	70.1	Confident	65.4	Low	92 Å²	92	92 Å²	92	56%	0.558	50%	0.5	S	S	*	.	H	α-helix	trans	-63	-43.1	169.2	168.4	0	0	0	0	111.1	T167 R175	T167-V171 WeakPolarHBondContact O-CB 3.5Å; T167-V171 VanDerWaalsContact O-CG2 3.28Å; T167-V171 WeakPolarHBondContact O-CG2 3.19Å; T167-V171 PolarHBondContact O-N 3.49Å; V171-R175 VanDerWaalsContact O-CB 3.32Å; V171-R175 WeakPolarHBondContact O-CB 3.3Å; V171-R175 PolarHBondContact O-N 3.23Å
172	K	61.6	Low	65	Low	108 Å²	108	91.9 Å²	91.9	47%	0.47	50%	0.503	S	S	.	.	H	α-helix	trans	-64.1	-39.3	172.4	-76	-173.1	179	-172.1	0	111.7	Y164 I168 L169 R175 V176	Y164-K172 PolarHBondContact OH-NZ 3.31Å; I168-K172 WeakPolarHBondContact O-CB 3.47Å; I168-K172 WeakPolarHBondContact O-CG 3.3Å; I168-K172 PolarHBondContact O-N 3.39Å; L169-K172 PolarHBondContact O-N 3.29Å; K172-R175 PolarHBondContact O-N 3.18Å; K172-V176 WeakPolarHBondContact O-CB 3.45Å; K172-V176 VanDerWaalsContact O-CG2 3.3Å; K172-V176 WeakPolarHBondContact O-CG2 3.32Å; K172-V176 PolarHBondContact O-N 3.2Å
173	S	70.4	Confident	64.3	Low	36 Å²	36	90 Å²	90	25%	0.252	50%	0.5	S	S	.	.	H	α-helix	trans	-63.5	-45.1	177.4	-173.3	0	0	0	0	112.4	L169 D170 V176 R177	L169-S173 WeakPolarHBondContact O-CB 3.12Å; L169-S173 PolarHBondContact O-N 3.35Å; D170-S173 WeakPolarHBondContact O-CB 3.47Å; D170-S173 PolarHBondContact O-N 3.15Å; S173-V176 PolarHBondContact O-N 2.93Å; S173-R177 WeakPolarHBondContact O-CG 3.48Å; S173-R177 PolarHBondContact O-N 3.14Å; S173-R177 PolarHBondContact OG-NH1 2.86Å
174	Q	65.9	Low	63.7	Low	128 Å²	128	91.1 Å²	91.1	60%	0.598	51%	0.511	S	S	*	.	H	α-helix	trans	-63.8	-45.3	173.3	-75.1	175.7	-27.7	0	0	111.5	D170 V176 R177 A178	D170-Q174 WeakPolarHBondContact O-CB 3.34Å; D170-Q174 WeakPolarHBondContact O-CG 3.48Å; D170-Q174 PolarHBondContact O-N 3.1Å; Q174-V176 VanDerWaalsContact C-N 3.33Å; Q174-V176 PolarHBondContact O-N 2.9Å; Q174-R177 PolarHBondContact O-N 3.04Å; Q174-A178 WeakPolarHBondContact O-CB 3.34Å; Q174-A178 PolarHBondContact O-N 3.34Å
175	R	64.3	Low	62.8	Low	185 Å²	185	94.4 Å²	94.4	70%	0.698	54%	0.535	S	S	*	.	H	α-helix	trans	-61.9	-38.9	177.2	-166.2	172.1	-175.3	175.3	1.2	112.2	V171 K172 A178 L179	V171-R175 VanDerWaalsContact O-CB 3.32Å; V171-R175 WeakPolarHBondContact O-CB 3.3Å; V171-R175 PolarHBondContact O-N 3.23Å; K172-R175 PolarHBondContact O-N 3.18Å; R175-A178 PolarHBondContact O-N 2.76Å; R175-L179 HydrophobicContact CG-CD1 3.98Å; R175-L179 VanDerWaalsContact O-CD1 3.25Å; R175-L179 WeakPolarHBondContact O-CD1 3.43Å; R175-L179 PolarHBondContact O-N 2.92Å
176	V	65.9	Low	60.9	Low	84 Å²	84	95.4 Å²	95.4	51%	0.509	56%	0.556	S	S	.	*	H	α-helix	trans	-67.4	-42.7	173.8	166.9	0	0	0	0	111.7	K172 S173 Q174 A178 L179 L180	K172-V176 WeakPolarHBondContact O-CB 3.45Å; K172-V176 VanDerWaalsContact O-CG2 3.3Å; K172-V176 WeakPolarHBondContact O-CG2 3.32Å; K172-V176 PolarHBondContact O-N 3.2Å; S173-V176 PolarHBondContact O-N 2.93Å; Q174-V176 VanDerWaalsContact C-N 3.33Å; Q174-V176 PolarHBondContact O-N 2.9Å; V176-A178 VanDerWaalsContact C-N 3.31Å; V176-A178 PolarHBondContact O-N 3.49Å; V176-L179 PolarHBondContact O-N 3.29Å; V176-L180 HydrophobicContact CG1-CD1 3.74Å; V176-L180 HydrophobicContact CG1-CG 4.43Å; V176-L180 WeakPolarHBondContact O-CB 3.33Å; V176-L180 VanDerWaalsContact O-CG 3.28Å; V176-L180 WeakPolarHBondContact O-CG 3.22Å; V176-L180 PolarHBondContact O-N 2.86Å
177	R	68.1	Low	59.4	Low	132 Å²	132	96.9 Å²	96.9	50%	0.498	58%	0.577	S	S	.	*	H	α-helix	trans	-62.5	-37.7	174.2	-72.7	177.2	-173.6	130.8	-4.4	112.4	S173 Q174 L180 G181 L182	S173-R177 WeakPolarHBondContact O-CG 3.48Å; S173-R177 PolarHBondContact O-N 3.14Å; S173-R177 PolarHBondContact OG-NH1 2.86Å; Q174-R177 PolarHBondContact O-N 3.04Å; R177-L180 PolarHBondContact O-N 2.97Å; R177-G181 PolarHBondContact O-N 3.17Å; R177-L182 HydrophobicContact CB-CB 4.5Å; R177-L182 PolarHBondContact O-N 3.06Å
178	A	67.2	Low	57.7	Low	64 Å²	64	95.4 Å²	95.4	53%	0.529	58%	0.581	S	S	.	*	H	α-helix	trans	-65.7	-46.9	174.8	0	0	0	0	0	112	Q174 R175 V176 L180 G181	Q174-A178 WeakPolarHBondContact O-CB 3.34Å; Q174-A178 PolarHBondContact O-N 3.34Å; R175-A178 PolarHBondContact O-N 2.76Å; V176-A178 VanDerWaalsContact C-N 3.31Å; V176-A178 PolarHBondContact O-N 3.49Å; A178-L180 PolarHBondContact O-N 3.22Å; A178-G181 PolarHBondContact O-N 2.96Å; A178-G181 VanDerWaalsContact O-N 3.13Å
179	L	63.3	Low	56.3	Low	145 Å²	145	101.9 Å²	101.9	76%	0.759	61%	0.607	S	S	*	*	H	α-helix	trans	-62.2	-28.2	174.5	-97.2	104	0	0	0	113.5	R175 V176	R175-L179 HydrophobicContact CG-CD1 3.98Å; R175-L179 VanDerWaalsContact O-CD1 3.25Å; R175-L179 WeakPolarHBondContact O-CD1 3.43Å; R175-L179 PolarHBondContact O-N 2.92Å; V176-L179 PolarHBondContact O-N 3.29Å
180	L	65	Low	54.3	Low	116 Å²	116	107.3 Å²	107.3	61%	0.607	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	4.5	177.3	-67.6	172.4	0	0	0	113.7	V176 R177 A178 L182	V176-L180 HydrophobicContact CG1-CD1 3.74Å; V176-L180 HydrophobicContact CG1-CG 4.43Å; V176-L180 WeakPolarHBondContact O-CB 3.33Å; V176-L180 VanDerWaalsContact O-CG 3.28Å; V176-L180 WeakPolarHBondContact O-CG 3.22Å; V176-L180 PolarHBondContact O-N 2.86Å; R177-L180 PolarHBondContact O-N 2.97Å; A178-L180 PolarHBondContact O-N 3.22Å; L180-L182 HydrophobicContact CB-CD1 4.15Å; L180-L182 HydrophobicContact CB-CG 4.2Å; L180-L182 PolarHBondContact O-N 3.04Å; L180-L182 VanDerWaalsContact O-N 3.12Å
181	G	56	Low	52.3	Low	66 Å²	66	107.2 Å²	107.2	68%	0.68	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.4	6.2	-177.2	0	0	0	0	0	115	R177 A178 A183	R177-G181 PolarHBondContact O-N 3.17Å; A178-G181 PolarHBondContact O-N 2.96Å; A178-G181 VanDerWaalsContact O-N 3.13Å; G181-A183 PolarHBondContact O-N 3.32Å
182	L	58.8	Low	50.2	Low	123 Å²	123	112.4 Å²	112.4	64%	0.644	68%	0.677	S	S	*	*			trans	-84.8	23.4	-177.5	-64.7	174.3	0	0	0	113	R177 L180 G184	R177-L182 HydrophobicContact CB-CB 4.5Å; R177-L182 PolarHBondContact O-N 3.06Å; L180-L182 HydrophobicContact CB-CD1 4.15Å; L180-L182 HydrophobicContact CB-CG 4.2Å; L180-L182 PolarHBondContact O-N 3.04Å; L180-L182 VanDerWaalsContact O-N 3.12Å; L182-G184 PolarHBondContact O-N 3.03Å; L182-G184 VanDerWaalsContact O-N 3.09Å
183	A	51.7	Low	48.6	Very low	75 Å²	75	117.9 Å²	117.9	62%	0.62	70%	0.695	S	S	*	*			trans	-83	65	172.6	0	0	0	0	0	110.2	G181 D185	G181-A183 PolarHBondContact O-N 3.32Å; A183-D185 PolarHBondContact O-N 2.72Å
184	G	41.6	Very low	46.4	Very low	70 Å²	70	124.6 Å²	124.6	72%	0.722	73%	0.725	S	S	*	*			trans	-65.2	118.4	177.7	0	0	0	0	0	111.6	L182	L182-G184 PolarHBondContact O-N 3.03Å; L182-G184 VanDerWaalsContact O-N 3.09Å
185	D	44.7	Very low	44.4	Very low	159 Å²	159	123.5 Å²	123.5	85%	0.85	73%	0.731	S	S	*	*			trans	-65.2	135.3	171.6	-170.4	7.3	0	0	0	110.1	A183	A183-D185 PolarHBondContact O-N 2.72Å
186	G	33.6	Very low	42.6	Very low	76 Å²	76	120.2 Å²	120.2	78%	0.784	73%	0.732	S	S	*	*			trans	-148.2	27.9	-160.6	0	0	0	0	0	114
187	A	30.9	Very low	40.6	Very low	92 Å²	92	124.4 Å²	124.4	76%	0.76	75%	0.746	S	S	*	*			trans	-109.9	74.2	-172.1	0	0	0	0	0	114
188	G	28.9	Very low	39.2	Very low	68 Å²	68	123.9 Å²	123.9	70%	0.701	76%	0.759	S	S	*	*			trans	-178.2	144.9	166	0	0	0	0	0	116.1
189	K	36.9	Very low	37.3	Very low	206 Å²	206	125.8 Å²	125.8	90%	0.896	77%	0.769	S	S	*	*			cis	-164.7	112.9	-8.4	-141.1	168.7	-170.2	165.8	0	111.9
190	T	26.8	Very low	35.6	Very low	150 Å²	150	124.6 Å²	124.6	92%	0.92	77%	0.768	S	S	*	*			trans	-141.3	145.6	161.5	51.2	0	0	0	0	109.8
191	G	27.7	Very low	33.8	Very low	77 Å²	77	126.7 Å²	126.7	79%	0.794	78%	0.779	S	S	*	*			cis	177.2	12.6	-4.7	0	0	0	0	0	118.5
192	E	25.4	Very low	32.4	Very low	200 Å²	200	127.1 Å²	127.1	94%	0.935	78%	0.783	S	S	*	*			trans	-140	168.4	-177.8	-139.4	161.4	-143.9	0	0	115.1
193	R	26.6	Very low	32.1	Very low	224 Å²	224	127.1 Å²	127.1	85%	0.845	79%	0.791	S	S	*	*			trans	-113	148.2	-156.5	-62.2	170.3	172.3	161.8	-4.5	113
194	M	24.2	Very low	30.8	Very low	177 Å²	177	131.1 Å²	131.1	87%	0.872	80%	0.802	S	S	*	*			trans	-144	139.8	140.4	-159.6	60.3	67.2	0	0	109.8
195	S	24	Very low	30.2	Very low	104 Å²	104	133.2 Å²	133.2	73%	0.727	81%	0.805	S	S	*	*			trans	-156.9	108.3	-177.5	59.5	0	0	0	0	111.9
196	T	26.5	Very low	29.5	Very low	117 Å²	117	132.1 Å²	132.1	72%	0.718	81%	0.805	S	S	*	*			trans	-161.5	139.3	-178.2	26	0	0	0	0	106.2
197	E	24.5	Very low	30.4	Very low	172 Å²	172	133.4 Å²	133.4	80%	0.804	80%	0.799	S	S	*	*			cis	-145.4	-162.6	2.4	-51.7	-169.3	135	0	0	108.7
198	P	39.8	Very low	30.3	Very low	120 Å²	120	138.9 Å²	138.9	78%	0.779	81%	0.806	S	S	*	*			cis	-119.1	-169.4	-36	14.7	8.9	0	0	0	111.9
199	S	25.7	Very low	30.3	Very low	105 Å²	105	138.9 Å²	138.9	73%	0.734	81%	0.806	S	S	*	*			trans	-97.6	168.8	-179.2	53.4	0	0	0	0	114.2
200	V	27.8	Very low	29.9	Very low	120 Å²	120	136 Å²	136	73%	0.727	81%	0.806	S	S	*	*				174.9	127.5	113.7	154	0	0	0	0	113.2
201	N	27.2	Very low	30	Very low	160 Å²	160	140.7 Å²	140.7	86%	0.856	81%	0.807	S	S	*	*			trans	25.7	140.1	151.9	-54.3	-17.2	0	0	0	124.1
202	G	27.1	Very low	30	Very low	74 Å²	74	140.7 Å²	140.7	76%	0.763	81%	0.807	S	S	*	*			trans	145.8	96.4	141.4	0	0	0	0	0	115.8
203	P	52	Low	30.2	Very low	124 Å²	124	139.4 Å²	139.4	81%	0.805	80%	0.798	S	S	*	*			trans	-103.6	152.4	-170.6	37.6	-33.3	0	0	0	115.1
204	N	25.2	Very low	30.5	Very low	158 Å²	158	133 Å²	133	85%	0.845	79%	0.793	S	S	*	*			trans	-161.8	147.3	144.2	-116.9	-30.4	0	0	0	114.3
205	S	28.3	Very low	30.7	Very low	114 Å²	114	130.6 Å²	130.6	80%	0.797	78%	0.779	S	S	*	*			trans	61	140.6	165.3	49.9	0	0	0	0	121.1
206	T	30.5	Very low	31.1	Very low	136 Å²	136	134.1 Å²	134.1	83%	0.834	79%	0.789	S	S	*	*			trans	-123.5	-161.5	-175.3	50	0	0	0	0	109.5
207	P	51.7	Low	31.3	Very low	103 Å²	103	133.1 Å²	133.1	67%	0.669	79%	0.787	S	S	*	*				-131.8	176.5	-64.9	36.8	-21	0	0	0	113.8
208	K	29.6	Very low	31.7	Very low	207 Å²	207	132.7 Å²	132.7	90%	0.9	79%	0.79	S	S	*	*			trans	166.6	150.3	139.3	-89.9	153	-173.6	178.7	0	107.9
209	G	28.4	Very low	31.6	Very low	68 Å²	68	132.6 Å²	132.6	70%	0.701	79%	0.787	S	S	*	*			cis	120.4	129.4	17.1	0	0	0	0	0	108.3
210	T	29.3	Very low	32.2	Very low	147 Å²	147	131.8 Å²	131.8	90%	0.902	78%	0.782	S	S	*	*			cis	-153.4	167.6	18.8	-49.8	0	0	0	0	111.1
211	R	28.2	Very low	32.9	Very low	247 Å²	247	130.4 Å²	130.4	93%	0.932	78%	0.783	S	S	*	*			trans	-68.6	155.1	-179.5	-74.5	172.9	161.9	168	-7.5	115.2
212	G	27.7	Very low	33.3	Very low	77 Å²	77	128.6 Å²	128.6	79%	0.794	78%	0.777	S	S	*	*			trans	-144.6	133.3	148	0	0	0	0	0	111.3
213	K	29.6	Very low	33.8	Very low	174 Å²	174	131.7 Å²	131.7	76%	0.757	78%	0.776	S	S	*	*			trans	-96.6	168.3	158	-75.4	172.6	145.9	-74.4	0	106.8	E215	K213-E215 IonicContact NZ-OE1 3.32Å; K213-E215 PolarHBondContact NZ-OE1 2.74Å; K213-E215 IonicContact NZ-OE2 3.11Å; K213-E215 PolarHBondContact NZ-OE2 3.24Å
214	A	32.6	Very low	33.4	Very low	88 Å²	88	131.6 Å²	131.6	73%	0.727	76%	0.764	S	S	*	*			cis	-148.4	-162.3	17.7	0	0	0	0	0	110.2
215	E	28.6	Very low	34	Very low	127 Å²	127	128.4 Å²	128.4	59%	0.593	76%	0.76	S	S	*	*				-160.3	163	-85.8	-87.9	149.5	141.1	0	0	108.6	K213	K213-E215 IonicContact NZ-OE1 3.32Å; K213-E215 PolarHBondContact NZ-OE1 2.74Å; K213-E215 IonicContact NZ-OE2 3.11Å; K213-E215 PolarHBondContact NZ-OE2 3.24Å
216	L	33.8	Very low	34.1	Very low	178 Å²	178	131.7 Å²	131.7	93%	0.932	76%	0.76	S	S	*	*			trans	78.4	125.4	-179.5	-53.5	169.9	0	0	0	118.8
217	S	30.2	Very low	34.4	Very low	96 Å²	96	132 Å²	132	67%	0.671	75%	0.75	S	S	*	*				159.7	69.4	122.9	-175.2	0	0	0	0	114.6	T219	S217-T219 PolarHBondContact O-N 2.96Å
218	D	32.9	Very low	33.8	Very low	163 Å²	163	136.5 Å²	136.5	87%	0.872	76%	0.76	S	S	*	*			trans	-90.2	81.1	175	-76.9	-54.4	0	0	0	113.2
219	T	36.9	Very low	34.2	Very low	118 Å²	118	134.8 Å²	134.8	72%	0.724	76%	0.759	S	S	*	*			trans	-96.7	6.6	166.1	44.2	0	0	0	0	112.9	S217 A221	S217-T219 PolarHBondContact O-N 2.96Å; T219-A221 PolarHBondContact O-N 3.4Å
220	S	39.6	Very low	34.7	Very low	89 Å²	89	139.2 Å²	139.2	62%	0.622	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	-9.2	-170	-164.3	0	0	0	0	115.3
221	A	41.2	Very low	34.7	Very low	90 Å²	90	139.9 Å²	139.9	74%	0.744	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-13.2	-170.4	0	0	0	0	0	115.2	T219	T219-A221 PolarHBondContact O-N 3.4Å
222	V	36.4	Very low	34.9	Very low	122 Å²	122	132.5 Å²	132.5	74%	0.739	75%	0.751	S	S	*	*	S	Bend	trans	-92.8	-14.3	-174.5	-176.4	0	0	0	0	112.6
223	L	36.3	Very low	35	Very low	139 Å²	139	136.5 Å²	136.5	73%	0.728	75%	0.754	S	S	*	*	S	Bend	trans	-96.9	-3	-174.6	-65.8	175.4	0	0	0	114.9
224	E	43.8	Very low	35	Very low	122 Å²	122	138.2 Å²	138.2	57%	0.57	76%	0.762	S	S	*	*	G	3₁₀ helix	trans	-84.9	-14.1	178.5	-68.7	-107.6	100.4	0	0	113.2	F226 K227	E224-F226 PolarHBondContact O-N 3.05Å; E224-K227 WeakPolarHBondContact OE1-CE 3.35Å; E224-K227 IonicContact OE1-NZ 3.86Å; E224-K227 PolarHBondContact OE1-NZ 3Å
225	A	37.6	Very low	34.8	Very low	92 Å²	92	138.7 Å²	138.7	76%	0.76	76%	0.76	S	S	*	*	G	3₁₀ helix	trans	-74.3	-6.4	-177.7	0	0	0	0	0	115
226	F	31	Very low	34.9	Very low	182 Å²	182	140.1 Å²	140.1	80%	0.798	77%	0.772	S	S	*	*	G	3₁₀ helix	trans	-109.1	0.6	-177.7	-82.7	-79.5	0	0	0	114.9	E224 F228	E224-F226 PolarHBondContact O-N 3.05Å; F226-F228 PolarHBondContact O-N 2.95Å
227	K	37.8	Very low	34.9	Very low	142 Å²	142	140.1 Å²	140.1	62%	0.617	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	51.2	-179.7	-70.9	-177.9	177	170	0	114.4	E224	E224-K227 WeakPolarHBondContact OE1-CE 3.35Å; E224-K227 IonicContact OE1-NZ 3.86Å; E224-K227 PolarHBondContact OE1-NZ 3Å
228	F	38.8	Very low	35.1	Very low	198 Å²	198	143.3 Å²	143.3	87%	0.868	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.2	2.9	172.1	-158.3	-105.5	0	0	0	115.4	F226	F226-F228 PolarHBondContact O-N 2.95Å
229	I	38.6	Very low	35.4	Very low	172 Å²	172	145 Å²	145	88%	0.882	78%	0.779	S	S	*	*	S	Bend	trans	-130.8	53.5	167.1	-44.8	-178.6	0	0	0	109.1
230	E	37.8	Very low	35.4	Very low	160 Å²	160	148.7 Å²	148.7	75%	0.748	79%	0.788	S	S	*	*	S	Bend	trans	-153.7	78.4	173.4	-167.3	173.5	-121.8	0	0	108.2
231	N	30.1	Very low	35	Very low	162 Å²	162	154 Å²	154	87%	0.866	80%	0.803	S	S	*	*			trans	170.2	83.1	162.2	-95.4	-54.6	0	0	0	109.9
232	A	30.8	Very low	34.6	Very low	92 Å²	92	157.2 Å²	157.2	76%	0.76	81%	0.808	S	S	*	*			trans	-158.9	46.1	167.6	0	0	0	0	0	111.1	F234	A232-F234 PolarHBondContact O-N 2.97Å
233	D	31.3	Very low	34.4	Very low	161 Å²	161	157.4 Å²	157.4	86%	0.861	82%	0.815	S	S	*	*			trans	-62.7	127.8	172.3	-66.8	-37.9	0	0	0	109.8
234	F	29	Very low	34.2	Very low	210 Å²	210	158.8 Å²	158.8	92%	0.921	82%	0.823	S	S	*	*			trans	-110.7	132.7	157.2	-103.7	-90.1	0	0	0	107.7	A232 D236	A232-F234 PolarHBondContact O-N 2.97Å; F234-D236 PolarHBondContact O-N 2.75Å
235	S	29.2	Very low	33.6	Very low	98 Å²	98	156 Å²	156	69%	0.685	83%	0.827	S	S	*	*			trans	-76.2	120.1	-173	-154.2	0	0	0	0	111
236	D	30.2	Very low	33.2	Very low	156 Å²	156	160.7 Å²	160.7	83%	0.834	83%	0.83	S	S	*	*			trans	-93	132.6	149.7	-88.8	-36.7	0	0	0	107.6	F234	F234-D236 PolarHBondContact O-N 2.75Å
237	E	34.3	Very low	33	Very low	178 Å²	178	157.8 Å²	157.8	83%	0.832	82%	0.823	S	S	*	*			trans	-124.6	102.4	170.6	-73.6	-173.2	145.5	0	0	108.3
238	D	33.8	Very low	32.6	Very low	163 Å²	163	161.5 Å²	161.5	87%	0.872	83%	0.833	S	S	*	*			trans	-81	127.7	167.2	-72.1	-52.4	0	0	0	110
239	E	37.9	Very low	32	Very low	199 Å²	199	157.3 Å²	157.3	93%	0.93	82%	0.824	S	S	*	*			trans	-133.1	118.6	158.3	-73.8	-163.2	148.5	0	0	110.2
240	E	37.4	Very low	31.4	Very low	195 Å²	195	156 Å²	156	91%	0.911	82%	0.819	S	S	*	*			trans	-91.8	137.3	165.5	-68.6	-170.7	155.1	0	0	110.3
241	E	32	Very low	30.9	Very low	200 Å²	200	153.5 Å²	153.5	94%	0.935	81%	0.814	S	S	*	*			trans	-157.5	145.3	139.8	-126.5	-178.4	-167.2	0	0	112.7
242	D	33.3	Very low	30.8	Very low	158 Å²	158	153.7 Å²	153.7	85%	0.845	81%	0.81	S	S	*	*			trans	-84.2	137.9	-177.1	-108	-35.1	0	0	0	113
243	S	32.3	Very low	30.7	Very low	126 Å²	126	153.3 Å²	153.3	88%	0.881	80%	0.801	S	S	*	*			trans	-171.1	155.4	138.4	-100.9	0	0	0	0	117.6
244	D	31.2	Very low	30.6	Very low	169 Å²	169	156.5 Å²	156.5	90%	0.904	80%	0.801	S	S	*	*			trans	-58.8	146	176.2	-107.6	-44.1	0	0	0	115.8
245	G	30.3	Very low	30.5	Very low	63 Å²	63	152.4 Å²	152.4	65%	0.649	79%	0.794	S	S	*	*				129.1	114.6	121.8	0	0	0	0	0	121.1
246	K	30.2	Very low	30.5	Very low	191 Å²	191	154.9 Å²	154.9	83%	0.83	80%	0.797	S	S	*	*			trans	75.6	127.3	139.5	-87.6	176.3	177.8	161.7	0	123
247	D	27.1	Very low	30.3	Very low	121 Å²	121	153 Å²	153	65%	0.647	79%	0.791	S	S	*	*				48.7	101.9	128.4	-67.8	-18.3	0	0	0	120.2
248	R	29.7	Very low	30	Very low	219 Å²	219	155.7 Å²	155.7	83%	0.826	79%	0.794	S	S	*	*				170.1	124.4	98.8	-96.3	145	-171.6	-137.3	-2.1	117.1
249	T	26.1	Very low	29.6	Very low	111 Å²	111	158 Å²	158	68%	0.681	80%	0.796	S	S	*	*			trans	40.4	148	130.1	66.5	0	0	0	0	123.2
250	N	25	Very low	29.3	Very low	145 Å²	145	158.1 Å²	158.1	78%	0.775	79%	0.794	S	S	*	*			trans	80	147.2	146.6	-76.2	0.4	0	0	0	119
251	V	27.6	Very low	29.3	Very low	107 Å²	107	154 Å²	154	65%	0.648	78%	0.784	S	S	*	*			cis	-171.1	148.7	-24.5	103.7	0	0	0	0	109.1
252	E	29.1	Very low	29.1	Very low	166 Å²	166	149.7 Å²	149.7	78%	0.776	78%	0.776	S	S	*	*			trans	43.7	160.5	151.4	-64.4	-154	96.1	0	0	123.2
253	S	28.7	Very low	29	Very low	83 Å²	83	147 Å²	147	58%	0.58	77%	0.769	S	S	*	*			cis	-175.3	178.3	-17.4	-91.9	0	0	0	0	108.7
254	R	27.4	Very low	28.9	Very low	229 Å²	229	146.4 Å²	146.4	86%	0.864	77%	0.765	S	S	*	*			trans	93.4	121.6	165.6	-53	171.9	-178.7	-155.7	-2.3	115.2
255	T	26.7	Very low	28.7	Very low	124 Å²	124	143.3 Å²	143.3	76%	0.761	76%	0.757	S	S	*	*			cis	70.4	129.9	48.4	74.6	0	0	0	0	112.8
256	I	29.3	Very low	28.6	Very low	149 Å²	149	145.5 Å²	145.5	76%	0.764	76%	0.762	S	S	*	*				-164.9	125.2	68	-86	179.6	0	0	0	113.8
257	V	27.4	Very low	28.5	Very low	117 Å²	117	142.2 Å²	142.2	71%	0.709	76%	0.764	S	S	*	*				64.9	121.7	125.8	-174.3	0	0	0	0	125.9
258	R	27.2	Very low	28.7	Very low	235 Å²	235	142 Å²	142	89%	0.887	77%	0.771	S	S	*	*			trans	29.8	142.1	141.8	-64.4	175.2	155.1	132.1	-7	123.8
259	K	25.8	Very low	29.2	Very low	210 Å²	210	137.4 Å²	137.4	91%	0.913	77%	0.77	S	S	*	*				-157.8	155.3	116.7	-124.7	173.8	-177.6	177.3	0	115.3
260	K	30.8	Very low	29.2	Very low	202 Å²	202	136.1 Å²	136.1	88%	0.878	77%	0.77	S	S	*	*			trans	-157.7	139	171.3	-119.6	-172.7	-178.5	-176.8	0	109.8
261	P	38.1	Very low	29.4	Very low	109 Å²	109	134.4 Å²	134.4	71%	0.708	77%	0.77	S	S	*	*				-133	159.2	127	10.4	13.2	0	0	0	110.5
262	S	28.4	Very low	29.6	Very low	110 Å²	110	137.7 Å²	137.7	77%	0.769	78%	0.78	S	S	*	*			cis	69.6	133.2	45.3	74.9	0	0	0	0	114.9
263	S	31.4	Very low	29.5	Very low	101 Å²	101	137.1 Å²	137.1	71%	0.706	78%	0.782	S	S	*	*			cis	-174.2	166.3	0.3	44.4	0	0	0	0	112.7
264	S	28.8	Very low	29.8	Very low	113 Å²	113	138.5 Å²	138.5	79%	0.79	79%	0.788	S	S	*	*			trans	64.7	152.7	157.2	37.6	0	0	0	0	119.7
265	S	27.8	Very low	30.1	Very low	105 Å²	105	133.6 Å²	133.6	73%	0.734	79%	0.789	S	S	*	*			cis	-163.8	150.5	-2.1	45.9	0	0	0	0	114.5
266	S	28.8	Very low	30.6	Very low	109 Å²	109	135.9 Å²	135.9	76%	0.762	79%	0.79	S	S	*	*			trans	51.7	115.3	144.2	64.7	0	0	0	0	123.6
267	S	27.6	Very low	31.3	Very low	122 Å²	122	134.8 Å²	134.8	85%	0.853	79%	0.786	S	S	*	*				-179.7	154.1	120.9	57.9	0	0	0	0	113
268	S	30.5	Very low	32	Very low	115 Å²	115	134.2 Å²	134.2	80%	0.804	79%	0.785	S	S	*	*			trans	-127.3	169.8	171.3	-54.1	0	0	0	0	108.8
269	P	40.9	Very low	32.9	Very low	123 Å²	123	130 Å²	130	80%	0.799	78%	0.78	S	S	*	*			cis	-140.4	-171.4	13.9	44	-25.7	0	0	0	116.8
270	A	26.9	Very low	33.9	Very low	84 Å²	84	124 Å²	124	69%	0.694	76%	0.761	S	S	*	*			trans	106.5	144.4	149.6	0	0	0	0	0	120
271	S	28.7	Very low	34.5	Very low	110 Å²	110	120.9 Å²	120.9	77%	0.769	75%	0.75	S	S	*	*			trans	60.9	133.1	165.6	47.8	0	0	0	0	120.7
272	M	31	Very low	34.9	Very low	176 Å²	176	123.9 Å²	123.9	87%	0.867	75%	0.754	S	S	*	*			trans	23.6	119.7	145.2	-64.4	158.4	63.3	0	0	118.4
273	D	28.4	Very low	35.5	Very low	153 Å²	153	122.6 Å²	122.6	82%	0.818	75%	0.75	S	S	*	*				-157.2	169.2	88.9	-140.3	-23.6	0	0	0	112.2
274	T	35.1	Very low	35.9	Very low	113 Å²	113	124.7 Å²	124.7	69%	0.693	75%	0.753	S	S	*	*			trans	-110.3	114.2	170.3	42.5	0	0	0	0	110.1	E276	T274-E276 PolarHBondContact O-N 3.13Å
275	S	33.5	Very low	36.3	Very low	126 Å²	126	126.3 Å²	126.3	88%	0.881	75%	0.746	S	S	*	*			trans	-76.1	112.4	173.3	55.1	0	0	0	0	110.5
276	E	37.6	Very low	36.9	Very low	171 Å²	171	124.2 Å²	124.2	80%	0.799	74%	0.741	S	S	*	*			trans	-78.8	146	179.9	-60	178.6	133	0	0	111.9	T274	T274-E276 PolarHBondContact O-N 3.13Å
277	D	42.3	Very low	37.1	Very low	127 Å²	127	128.7 Å²	128.7	68%	0.679	75%	0.747	S	S	*	*			trans	-80.2	137.9	174.7	-105.6	-40.1	0	0	0	110.8	D279 T280	D277-D279 VanDerWaalsContact C-N 3.25Å; D277-D279 PolarHBondContact O-N 3.26Å; D277-T280 WeakPolarHBondContact O-CB 3.49Å; D277-T280 PolarHBondContact O-N 2.79Å; D277-T280 PolarHBondContact O-OG1 3.43Å
278	P	43.4	Very low	37.6	Very low	104 Å²	104	129.8 Å²	129.8	68%	0.675	74%	0.743	S	S	*	*	G	3₁₀ helix	trans	-67.4	-20	-170.2	27.1	-35.1	0	0	0	114.5	T280 E281	P278-T280 PolarHBondContact O-N 3.23Å; P278-T280 VanDerWaalsContact O-N 3.12Å; P278-E281 PolarHBondContact O-N 3.38Å
279	D	45.5	Very low	38	Very low	148 Å²	148	133.6 Å²	133.6	79%	0.791	75%	0.745	S	S	*	*	G	3₁₀ helix	trans	-68.2	-8.6	178.6	-64.9	-9.1	0	0	0	113	D277	D277-D279 VanDerWaalsContact C-N 3.25Å; D277-D279 PolarHBondContact O-N 3.26Å
280	T	47.2	Very low	37.6	Very low	84 Å²	84	135.5 Å²	135.5	52%	0.515	75%	0.748	S	S	.	*	G	3₁₀ helix	trans	-75.6	-24.3	-179	-40.3	0	0	0	0	113.3	D277 P278	D277-T280 WeakPolarHBondContact O-CB 3.49Å; D277-T280 PolarHBondContact O-N 2.79Å; D277-T280 PolarHBondContact O-OG1 3.43Å; P278-T280 PolarHBondContact O-N 3.23Å; P278-T280 VanDerWaalsContact O-N 3.12Å
281	E	43.3	Very low	37.7	Very low	135 Å²	135	136.4 Å²	136.4	63%	0.631	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-12.3	-169.6	-143.8	-149	121.9	0	0	115.1	P278 K285	P278-E281 PolarHBondContact O-N 3.38Å; E281-K285 PolarHBondContact O-NZ 3.2Å; E281-K285 VanDerWaalsContact O-NZ 3.13Å; E281-K285 IonicContact OE1-NZ 2.72Å; E281-K285 PolarHBondContact OE1-NZ 2.86Å
282	E	45.7	Very low	37.7	Very low	173 Å²	173	138.9 Å²	138.9	81%	0.808	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-34.4	177.5	-169.9	161.5	-151.8	0	0	112	L284 K285	E282-L284 PolarHBondContact O-N 3.49Å; E282-K285 PolarHBondContact O-N 2.97Å
283	A	41.6	Very low	38.1	Very low	82 Å²	82	135.3 Å²	135.3	68%	0.678	74%	0.744	S	S	*	*	G	3₁₀ helix	trans	-63.8	-22.2	-179.2	0	0	0	0	0	114.4
284	L	39.6	Very low	38.2	Very low	146 Å²	146	135.2 Å²	135.2	76%	0.764	74%	0.743	S	S	*	*	G	3₁₀ helix	trans	-90.6	-4.7	-175.2	-77	168.5	0	0	0	115	E282 G286	E282-L284 PolarHBondContact O-N 3.49Å; L284-G286 VanDerWaalsContact C-N 3.35Å
285	K	37.8	Very low	37.9	Very low	147 Å²	147	139.7 Å²	139.7	64%	0.639	76%	0.756	S	S	*	*	G	3₁₀ helix	trans	-89.5	4.4	178.1	-61.8	-172.6	177.7	77.7	0	114	E281 E282	E281-K285 PolarHBondContact O-NZ 3.2Å; E281-K285 VanDerWaalsContact O-NZ 3.13Å; E281-K285 IonicContact OE1-NZ 2.72Å; E281-K285 PolarHBondContact OE1-NZ 2.86Å; E282-K285 PolarHBondContact O-N 2.97Å
286	G	38.8	Very low	37.7	Very low	61 Å²	61	141.5 Å²	141.5	63%	0.629	75%	0.753	S	S	*	*	G	3₁₀ helix	trans	-87	-4.1	-178.2	0	0	0	0	0	116.8	L284	L284-G286 VanDerWaalsContact C-N 3.35Å
287	F	33.3	Very low	37.1	Very low	203 Å²	203	140.1 Å²	140.1	89%	0.89	75%	0.751	S	S	*	*			trans	-131.7	70.2	-171.7	-80.2	-81.5	0	0	0	113.3
288	D	37.9	Very low	36.4	Very low	145 Å²	145	139.7 Å²	139.7	78%	0.775	75%	0.753	S	S	*	*			trans	-131.8	88.6	168.8	-167.6	13.3	0	0	0	111.7
289	F	39.6	Very low	35.7	Very low	195 Å²	195	140.1 Å²	140.1	86%	0.855	76%	0.759	S	S	*	*			trans	-149.9	8.2	172.5	-167.2	-108.9	0	0	0	114.2
290	L	32.9	Very low	34.9	Very low	163 Å²	163	141.9 Å²	141.9	85%	0.853	76%	0.762	S	S	*	*			trans	-136.1	61.6	-177.4	-72.5	178.1	0	0	0	112.1
291	S	29.1	Very low	34	Very low	103 Å²	103	142.5 Å²	142.5	72%	0.72	77%	0.77	S	S	*	*			trans	-157.1	90.2	162.6	-82.5	0	0	0	0	112.6
292	N	27.9	Very low	33.2	Very low	161 Å²	161	148 Å²	148	86%	0.861	78%	0.784	S	S	*	*				-162.2	137.4	127.9	-102.4	-15.5	0	0	0	110.8
293	P	40.6	Very low	32.3	Very low	102 Å²	102	142.9 Å²	142.9	66%	0.662	78%	0.779	S	S	*	*			trans	-90.5	-176.5	171.6	39.2	-35.8	0	0	0	111.9
294	D	29	Very low	31.5	Very low	151 Å²	151	145.9 Å²	145.9	81%	0.807	79%	0.789	S	S	*	*			trans	64.1	92.9	161.5	-56.3	-22.5	0	0	0	118.5
295	E	30.3	Very low	30.8	Very low	206 Å²	206	142.7 Å²	142.7	96%	0.963	79%	0.791	S	S	*	*				-149.6	158.8	120.8	-122.1	174.9	-154.9	0	0	110.7
296	M	27.8	Very low	30.2	Very low	165 Å²	165	143.7 Å²	143.7	81%	0.813	80%	0.803	S	S	*	*			trans	-141.2	126.7	-162.7	176.8	-165	79.9	0	0	111.4
297	D	26.3	Very low	29.7	Very low	142 Å²	142	143 Å²	143	76%	0.759	80%	0.797	S	S	*	*			trans	-163.1	-179.8	137	-131.7	-36.2	0	0	0	115
298	T	26.9	Very low	29.5	Very low	118 Å²	118	140.1 Å²	140.1	72%	0.724	80%	0.796	S	S	*	*			trans	-110.9	150.3	-159.3	56.2	0	0	0	0	115.3
299	S	28.3	Very low	29	Very low	113 Å²	113	138.9 Å²	138.9	79%	0.79	79%	0.79	S	S	*	*			trans	178.8	136.8	131.7	57.3	0	0	0	0	115.8
300	E	28.7	Very low	28.4	Very low	184 Å²	184	139.4 Å²	139.4	86%	0.86	79%	0.786	S	S	*	*			trans	4.5	154.7	138.1	-63.1	-167.6	148.9	0	0	122
301	S	27.8	Very low	28	Very low	97 Å²	97	137.8 Å²	137.8	68%	0.678	78%	0.778	S	S	*	*			cis	-170.6	165.9	-9.5	57.3	0	0	0	0	114.6
302	R	27.6	Very low	27.9	Very low	250 Å²	250	141.4 Å²	141.4	94%	0.943	78%	0.781	S	S	*	*			trans	29.2	132.5	148.4	-74	-179	156.7	122.3	-3.6	124.1
303	G	25.5	Very low	28	Very low	67 Å²	67	139.7 Å²	139.7	69%	0.691	77%	0.772	S	S	*	*			trans	154.5	121	142.6	0	0	0	0	0	112.3
304	T	25.8	Very low	27.3	Very low	145 Å²	145	144.3 Å²	144.3	89%	0.89	78%	0.784	S	S	*	*			cis	96.5	116.6	41	55.7	0	0	0	0	114.8
305	G	25.1	Very low	27.2	Very low	79 Å²	79	145.9 Å²	145.9	81%	0.814	79%	0.787	S	S	*	*			trans	77.7	164	175	0	0	0	0	0	114
306	D	25.4	Very low	27	Very low	167 Å²	167	139.4 Å²	139.4	89%	0.893	78%	0.776	S	S	*	*			cis	-153.1	151.3	-20.9	-151.2	5.5	0	0	0	104.6
307	G	27.4	Very low	27.2	Very low	48 Å²	48	137.9 Å²	137.9	50%	0.495	78%	0.778	S	S	.	*				92	124.9	70.4	0	0	0	0	0	111.3
308	T	28.6	Very low	27.2	Very low	142 Å²	142	137.6 Å²	137.6	87%	0.871	78%	0.781	S	S	*	*			trans	64.9	157.6	167.2	57.9	0	0	0	0	119.6
309	D	27.3	Very low	27.3	Very low	119 Å²	119	137.4 Å²	137.4	64%	0.636	79%	0.785	S	S	*	*			cis	-169	172.5	-35.2	-158.1	-2.5	0	0	0	109.5
310	W	27.9	Very low	27.5	Very low	206 Å²	206	141.4 Å²	141.4	78%	0.78	79%	0.791	S	S	*	*			trans	68.3	121.8	164.6	-59.7	102.1	0	0	0	123
311	D	25.5	Very low	27.8	Very low	129 Å²	129	137.1 Å²	137.1	69%	0.69	79%	0.787	S	S	*	*			trans	-31.8	141.5	147.1	-52.6	-64.4	0	0	0	116.6
312	K	27.1	Very low	28	Very low	179 Å²	179	144.4 Å²	144.4	78%	0.778	80%	0.799	S	S	*	*				-179.9	155.1	95.3	-102.7	-178.6	174.6	-175.2	0	117.4
313	D	28.6	Very low	28.6	Very low	124 Å²	124	140.1 Å²	140.1	66%	0.663	80%	0.795	S	S	*	*			trans	24.6	117.3	143.2	-52.3	-36.5	0	0	0	120.4
314	E	26.1	Very low	29.5	Very low	199 Å²	199	141.7 Å²	141.7	93%	0.93	79%	0.792	S	S	*	*				-153.9	159.2	117	-122.6	175.3	-164.8	0	0	111.5
315	Q	27.9	Very low	30.6	Very low	184 Å²	184	139 Å²	139	86%	0.86	77%	0.772	S	S	*	*			trans	-120.9	140.3	-168.6	-69.7	177.3	-12	0	0	112.6
316	G	25.4	Very low	31.7	Very low	71 Å²	71	139.4 Å²	139.4	73%	0.732	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-73.1	158.6	172.6	0	0	0	0	0	113.3
317	P	31	Very low	33.3	Very low	133 Å²	133	132.7 Å²	132.7	86%	0.864	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-82.2	163.8	-161.1	31.9	-37	0	0	0	116.5
318	V	27.4	Very low	34.8	Very low	136 Å²	136	134.1 Å²	134.1	82%	0.824	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-59.2	147.7	-178.8	176.2	0	0	0	0	113.7
319	S	29.9	Very low	35.9	Very low	114 Å²	114	131.8 Å²	131.8	80%	0.797	71%	0.709	S	S	*	*			trans	-113.4	146.9	153.9	-62.1	0	0	0	0	109
320	E	31.9	Very low	37.4	Very low	197 Å²	197	130.7 Å²	130.7	92%	0.921	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-68	156.2	-166	-68.5	-175.8	115.2	0	0	114.7
321	A	34	Very low	39	Very low	93 Å²	93	127.6 Å²	127.6	77%	0.769	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-96.4	147.9	-163.9	0	0	0	0	0	113.9
322	W	33.3	Very low	40.9	Very low	250 Å²	250	126.7 Å²	126.7	95%	0.947	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-78.3	116.9	151.8	-75.3	77.9	0	0	0	108.1	V324	W322-V324 PolarHBondContact O-N 2.9Å; W322-V324 VanDerWaalsContact O-N 3.12Å
323	D	40.6	Very low	42.4	Very low	160 Å²	160	123.9 Å²	123.9	86%	0.856	68%	0.678	S	S	*	*			trans	-77	100.3	-168.9	-166.7	14.3	0	0	0	112.3
324	V	43.1	Very low	43.9	Very low	101 Å²	101	123.2 Å²	123.2	61%	0.612	67%	0.671	S	S	*	*			trans	-135.5	103	175.6	-178.3	0	0	0	0	108.4	W322 P326	W322-V324 PolarHBondContact O-N 2.9Å; W322-V324 VanDerWaalsContact O-N 3.12Å; V324-P326 WeakPolarHBondContact O-CD 3.36Å
325	D	48.8	Very low	45.4	Very low	89 Å²	89	120 Å²	120	48%	0.476	66%	0.656	S	S	.	*			trans	-46.2	109.5	-173.3	177.4	7.9	0	0	0	112.8	G327 V328 M329	D325-G327 PolarHBondContact O-N 2.87Å; D325-G327 VanDerWaalsContact O-N 3.1Å; D325-G327 WeakPolarHBondContact OD1-CA 3.36Å; D325-G327 PolarHBondContact OD1-N 3.14Å; D325-V328 HydrophobicContact CB-CG2 4.08Å; D325-V328 PolarHBondContact O-N 2.82Å; D325-M329 PolarHBondContact O-N 3.36Å
326	P	48.8	Very low	46.4	Very low	87 Å²	87	117.9 Å²	117.9	57%	0.565	64%	0.641	S	S	*	*	H	α-helix	trans	-59.9	-23.2	178.7	-24.9	35.6	0	0	0	113.3	V324 M329 N330	V324-P326 WeakPolarHBondContact O-CD 3.36Å; P326-M329 PolarHBondContact O-N 2.85Å; P326-N330 WeakPolarHBondContact O-CB 3.39Å; P326-N330 PolarHBondContact O-N 2.89Å; P326-N330 PolarHBondContact O-ND2 2.83Å
327	G	58.7	Low	47.6	Very low	26 Å²	26	121.7 Å²	121.7	27%	0.268	64%	0.637	S	S	.	*	H	α-helix	trans	-63.2	-37.1	173.2	0	0	0	0	0	113.1	D325 K331	D325-G327 PolarHBondContact O-N 2.87Å; D325-G327 VanDerWaalsContact O-N 3.1Å; D325-G327 WeakPolarHBondContact OD1-CA 3.36Å; D325-G327 PolarHBondContact OD1-N 3.14Å; G327-K331 WeakPolarHBondContact O-CB 3.41Å; G327-K331 WeakPolarHBondContact O-CD 3.36Å; G327-K331 WeakPolarHBondContact O-CG 3.5Å; G327-K331 PolarHBondContact O-N 2.77Å
328	V	58.1	Low	48.5	Very low	77 Å²	77	121.9 Å²	121.9	47%	0.467	62%	0.624	S	S	.	*	H	α-helix	trans	-70	-46.3	175.3	178.7	0	0	0	0	110.4	D325 N330 K331 L332	D325-V328 HydrophobicContact CB-CG2 4.08Å; D325-V328 PolarHBondContact O-N 2.82Å; V328-N330 VanDerWaalsContact C-N 3.33Å; V328-N330 PolarHBondContact O-N 3.26Å; V328-K331 PolarHBondContact O-N 3.01Å; V328-L332 HydrophobicContact CG1-CD1 4.38Å; V328-L332 PolarHBondContact O-N 2.97Å
329	M	52.7	Low	49.6	Very low	94 Å²	94	122.6 Å²	122.6	46%	0.463	62%	0.619	S	S	.	*	H	α-helix	trans	-62.1	-40.2	179.3	-165	-165	-61.5	0	0	112	D325 P326 K333	D325-M329 PolarHBondContact O-N 3.36Å; P326-M329 PolarHBondContact O-N 2.85Å; M329-K333 HydrophobicContact CG-CD 4.32Å; M329-K333 WeakPolarHBondContact O-CB 3.42Å; M329-K333 VanDerWaalsContact O-CG 3.3Å; M329-K333 WeakPolarHBondContact O-CG 3.37Å; M329-K333 PolarHBondContact O-N 2.8Å; M329-K333 PolarHBondContact SD-NZ 2.62Å
330	N	58.8	Low	50.3	Low	95 Å²	95	126 Å²	126	51%	0.508	61%	0.614	S	S	.	*	H	α-helix	trans	-72.2	-34.7	176.9	-75.6	-31	0	0	0	112.7	P326 V328 K333 E334	P326-N330 WeakPolarHBondContact O-CB 3.39Å; P326-N330 PolarHBondContact O-N 2.89Å; P326-N330 PolarHBondContact O-ND2 2.83Å; V328-N330 VanDerWaalsContact C-N 3.33Å; V328-N330 PolarHBondContact O-N 3.26Å; N330-K333 PolarHBondContact O-N 3.39Å; N330-E334 WeakPolarHBondContact O-CB 3.37Å; N330-E334 PolarHBondContact O-N 2.8Å
331	K	62.3	Low	50.7	Low	142 Å²	142	125 Å²	125	62%	0.617	61%	0.607	S	S	*	*	H	α-helix	trans	-62	-45.5	170.6	-77.2	165.9	-174.6	167.5	0	111.9	G327 V328 K333 E334 Q335	G327-K331 WeakPolarHBondContact O-CB 3.41Å; G327-K331 WeakPolarHBondContact O-CD 3.36Å; G327-K331 WeakPolarHBondContact O-CG 3.5Å; G327-K331 PolarHBondContact O-N 2.77Å; V328-K331 PolarHBondContact O-N 3.01Å; K331-K333 PolarHBondContact O-N 3Å; K331-E334 PolarHBondContact O-N 2.93Å; K331-Q335 VanDerWaalsContact O-CB 3.28Å; K331-Q335 WeakPolarHBondContact O-CB 3.49Å; K331-Q335 PolarHBondContact O-N 3.49Å
332	L	63.9	Low	51.2	Low	110 Å²	110	123.2 Å²	123.2	58%	0.576	60%	0.598	S	S	*	*	H	α-helix	trans	-60.4	-45.2	174.5	-103.7	66	0	0	0	111.8	V328 E334 Q335 Y336	V328-L332 HydrophobicContact CG1-CD1 4.38Å; V328-L332 PolarHBondContact O-N 2.97Å; L332-E334 PolarHBondContact O-N 2.6Å; L332-Q335 PolarHBondContact O-N 2.88Å; L332-Y336 WeakPolarHBondContact O-CB 3.42Å; L332-Y336 PolarHBondContact O-N 2.88Å
333	K	59.9	Low	51.7	Low	119 Å²	119	121 Å²	121	52%	0.517	59%	0.594	S	S	.	*	H	α-helix	trans	-62.2	-41	176.5	-75.1	168.5	177.4	171	0	112.4	M329 N330 K331 K337	M329-K333 HydrophobicContact CG-CD 4.32Å; M329-K333 WeakPolarHBondContact O-CB 3.42Å; M329-K333 VanDerWaalsContact O-CG 3.3Å; M329-K333 WeakPolarHBondContact O-CG 3.37Å; M329-K333 PolarHBondContact O-N 2.8Å; M329-K333 PolarHBondContact SD-NZ 2.62Å; N330-K333 PolarHBondContact O-N 3.39Å; K331-K333 PolarHBondContact O-N 3Å; K333-K337 WeakPolarHBondContact O-CB 3.2Å; K333-K337 PolarHBondContact O-N 2.9Å
334	E	58.8	Low	51.4	Low	110 Å²	110	122 Å²	122	51%	0.514	60%	0.596	S	S	.	*	H	α-helix	trans	-64.8	-43.3	173.5	-89.2	-119.1	127.8	0	0	112.7	N330 K331 L332 K337 K338	N330-E334 WeakPolarHBondContact O-CB 3.37Å; N330-E334 PolarHBondContact O-N 2.8Å; K331-E334 PolarHBondContact O-N 2.93Å; L332-E334 PolarHBondContact O-N 2.6Å; E334-K337 CarbonylContact O-C 3.58Å; E334-K337 PolarHBondContact O-N 2.95Å; E334-K338 WeakPolarHBondContact O-CB 3.39Å; E334-K338 PolarHBondContact O-N 3.13Å; E334-K338 IonicContact OE2-NZ 2.87Å; E334-K338 PolarHBondContact OE2-NZ 2.85Å
335	Q	58	Low	51.2	Low	132 Å²	132	121 Å²	121	62%	0.617	61%	0.607	S	S	*	*	H	α-helix	trans	-62.9	-48.3	-180	-172.6	166.9	-13.7	0	0	110.4	K331 L332 K337 K338 E339	K331-Q335 VanDerWaalsContact O-CB 3.28Å; K331-Q335 WeakPolarHBondContact O-CB 3.49Å; K331-Q335 PolarHBondContact O-N 3.49Å; L332-Q335 PolarHBondContact O-N 2.88Å; Q335-K337 VanDerWaalsContact C-N 3.31Å; Q335-K337 PolarHBondContact O-N 3.08Å; Q335-K338 PolarHBondContact O-N 3.45Å; Q335-K338 VanDerWaalsContact O-N 3.17Å; Q335-E339 WeakPolarHBondContact O-CB 3.43Å; Q335-E339 PolarHBondContact O-N 2.96Å
336	Y	49.9	Very low	50.4	Low	139 Å²	139	123.6 Å²	123.6	55%	0.545	63%	0.625	S	S	.	*	H	α-helix	trans	-59.7	-37.2	172.5	-166.9	-98.5	0	0	0	112.7	L332 R340	L332-Y336 WeakPolarHBondContact O-CB 3.42Å; L332-Y336 PolarHBondContact O-N 2.88Å; Y336-R340 PolarHBondContact O-N 2.75Å; Y336-R340 VanDerWaalsContact O-N 3.12Å
337	K	50.7	Low	49.8	Very low	151 Å²	151	128.7 Å²	128.7	66%	0.657	64%	0.639	S	S	*	*	H	α-helix	trans	-70	-35.2	174.8	-114.1	174.1	179.6	172.5	0	113.4	K333 E334 Q335 K341	K333-K337 WeakPolarHBondContact O-CB 3.2Å; K333-K337 PolarHBondContact O-N 2.9Å; E334-K337 CarbonylContact O-C 3.58Å; E334-K337 PolarHBondContact O-N 2.95Å; Q335-K337 VanDerWaalsContact C-N 3.31Å; Q335-K337 PolarHBondContact O-N 3.08Å; K337-K341 WeakPolarHBondContact O-CG 3.3Å; K337-K341 PolarHBondContact O-N 3.07Å
338	K	49.2	Very low	48.5	Very low	137 Å²	137	139.1 Å²	139.1	60%	0.596	67%	0.67	S	S	*	*	H	α-helix	trans	-70.2	-44.8	175.3	-83.2	165.6	172.2	144.3	0	110.5	E334 Q335 R340 K341 G342	E334-K338 WeakPolarHBondContact O-CB 3.39Å; E334-K338 PolarHBondContact O-N 3.13Å; E334-K338 IonicContact OE2-NZ 2.87Å; E334-K338 PolarHBondContact OE2-NZ 2.85Å; Q335-K338 PolarHBondContact O-N 3.45Å; Q335-K338 VanDerWaalsContact O-N 3.17Å; K338-R340 PolarHBondContact O-N 3.13Å; K338-K341 PolarHBondContact O-N 3.16Å; K338-K341 VanDerWaalsContact O-N 3.08Å; K338-G342 PolarHBondContact O-N 2.92Å
339	E	50	Low	47.3	Very low	151 Å²	151	139.2 Å²	139.2	71%	0.706	67%	0.672	S	S	*	*	H	α-helix	trans	-59.4	-45.9	177.9	-166.3	163.2	-131	0	0	112	Q335 K341 G342	Q335-E339 WeakPolarHBondContact O-CB 3.43Å; Q335-E339 PolarHBondContact O-N 2.96Å; E339-K341 VanDerWaalsContact C-N 3.33Å; E339-K341 PolarHBondContact O-N 3.38Å; E339-G342 PolarHBondContact O-N 3.23Å
340	R	45	Very low	46.9	Very low	186 Å²	186	141.1 Å²	141.1	70%	0.702	68%	0.684	S	S	*	*	H	α-helix	trans	-70	-18.3	173.3	-83.9	-163.1	176.5	-150.2	1.7	115.6	Y336 K338 G342	Y336-R340 PolarHBondContact O-N 2.75Å; Y336-R340 VanDerWaalsContact O-N 3.12Å; K338-R340 PolarHBondContact O-N 3.13Å; R340-G342 VanDerWaalsContact C-N 3.32Å
341	K	41	Very low	46.2	Very low	176 Å²	176	146.5 Å²	146.5	77%	0.765	70%	0.697	S	S	*	*	H	α-helix	trans	-82.5	-9.2	176	-82.6	-175.2	173.4	-169.8	0	113.5	K337 K338 E339 K343	K337-K341 WeakPolarHBondContact O-CG 3.3Å; K337-K341 PolarHBondContact O-N 3.07Å; K338-K341 PolarHBondContact O-N 3.16Å; K338-K341 VanDerWaalsContact O-N 3.08Å; E339-K341 VanDerWaalsContact C-N 3.33Å; E339-K341 PolarHBondContact O-N 3.38Å; K341-K343 PolarHBondContact O-N 3.36Å
342	G	42.8	Very low	45.6	Very low	56 Å²	56	143.1 Å²	143.1	58%	0.577	69%	0.692	S	S	*	*	S	Bend	trans	-85	14	-173.1	0	0	0	0	0	117.9	K338 E339 R340	K338-G342 PolarHBondContact O-N 2.92Å; E339-G342 PolarHBondContact O-N 3.23Å; R340-G342 VanDerWaalsContact C-N 3.32Å
343	K	45.1	Very low	44.7	Very low	202 Å²	202	144.7 Å²	144.7	88%	0.878	69%	0.694	S	S	*	*			trans	-169.3	75.3	172.5	-103.4	144.2	-172.9	176.7	0	113.5	K341	K341-K343 PolarHBondContact O-N 3.36Å
344	M	33.1	Very low	43.8	Very low	182 Å²	182	143.3 Å²	143.3	90%	0.897	69%	0.692	S	S	*	*			trans	-122.6	125.6	162.1	-79	-71	-80	0	0	108.7
345	G	38.8	Very low	43.2	Very low	81 Å²	81	144.5 Å²	144.5	84%	0.835	70%	0.697	S	S	*	*			trans	118.7	35.5	174.5	0	0	0	0	0	118.1
346	V	32.8	Very low	42.6	Very low	142 Å²	142	142.5 Å²	142.5	86%	0.861	69%	0.69	S	S	*	*			trans	-124.4	133.8	160.2	-175.9	0	0	0	0	109
347	K	37.1	Very low	42.2	Very low	195 Å²	195	140.9 Å²	140.9	85%	0.848	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-61.2	136.9	177.9	-68.2	-178.3	177.8	-179.9	0	109.9
348	R	30.2	Very low	42	Very low	245 Å²	245	138.9 Å²	138.9	93%	0.925	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-53.1	125.6	177.4	-70.2	-177.3	177.1	179.5	-1.1	110
349	P	33.6	Very low	41.9	Very low	78 Å²	78	134.8 Å²	134.8	51%	0.506	68%	0.677	S	S	.	*	P	Polyproline II helix	trans	-61.3	150	171.7	-22.3	33.8	0	0	0	111.1
350	N	43.6	Very low	41.6	Very low	134 Å²	134	133.1 Å²	133.1	72%	0.717	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-68.4	146.8	177	-145.9	-2.9	0	0	0	110.5	S352 K353	N350-S352 PolarHBondContact O-N 2.93Å; N350-K353 PolarHBondContact O-N 2.71Å
351	R	43.7	Very low	41.3	Very low	209 Å²	209	130.9 Å²	130.9	79%	0.789	67%	0.674	S	S	*	*	H	α-helix	trans	-53.3	-34.9	-163.4	-172.8	170.8	176.2	153.9	-2.6	114.4	L354 Q355	R351-L354 PolarHBondContact O-N 2.97Å; R351-Q355 PolarHBondContact O-N 3.41Å
352	S	50.4	Low	41.1	Very low	71 Å²	71	132.9 Å²	132.9	50%	0.497	68%	0.677	S	S	.	*	H	α-helix	trans	-57.2	-49.1	176.4	47.3	0	0	0	0	113.6	N350 L354 Q355 D356	N350-S352 PolarHBondContact O-N 2.93Å; S352-L354 PolarHBondContact O-N 3.18Å; S352-Q355 WeakPolarHBondContact O-CA 3.47Å; S352-Q355 WeakPolarHBondContact O-CB 3.2Å; S352-Q355 PolarHBondContact O-N 2.6Å; S352-D356 PolarHBondContact O-N 2.96Å
353	K	44.3	Very low	40.7	Very low	143 Å²	143	136.5 Å²	136.5	62%	0.622	68%	0.683	S	S	*	*	H	α-helix	trans	-64.3	-25.2	-178.4	-83.9	-163.8	171	-169.6	0	113.8	N350 M357	N350-K353 PolarHBondContact O-N 2.71Å; K353-M357 WeakPolarHBondContact O-CE 3.45Å; K353-M357 VanDerWaalsContact O-CG 3.32Å; K353-M357 WeakPolarHBondContact O-CG 3.28Å; K353-M357 PolarHBondContact O-N 3.27Å; K353-M357 VanDerWaalsContact O-N 3.15Å
354	L	41.4	Very low	40	Very low	90 Å²	90	132.1 Å²	132.1	47%	0.471	67%	0.673	S	S	.	*	H	α-helix	trans	-77.4	-29.7	176	-141.7	154.3	0	0	0	110.8	R351 S352 M357 L358	R351-L354 PolarHBondContact O-N 2.97Å; S352-L354 PolarHBondContact O-N 3.18Å; L354-M357 HydrophobicContact CG-CE 4.25Å; L354-L358 HydrophobicContact CD2-CD1 4.12Å; L354-L358 WeakPolarHBondContact O-CG 3.32Å; L354-L358 PolarHBondContact O-N 3.17Å
355	Q	46.8	Very low	39.8	Very low	134 Å²	134	133 Å²	133	63%	0.626	68%	0.675	S	S	*	*	H	α-helix	trans	-75.5	-38.9	173.4	-153.3	153.9	-7.5	0	0	111.5	R351 S352 M357 L358 A359	R351-Q355 PolarHBondContact O-N 3.41Å; S352-Q355 WeakPolarHBondContact O-CA 3.47Å; S352-Q355 WeakPolarHBondContact O-CB 3.2Å; S352-Q355 PolarHBondContact O-N 2.6Å; Q355-M357 PolarHBondContact O-N 3.42Å; Q355-L358 PolarHBondContact O-N 2.75Å; Q355-A359 PolarHBondContact O-N 2.92Å
356	D	45.5	Very low	39.4	Very low	90 Å²	90	136.6 Å²	136.6	48%	0.481	68%	0.675	S	S	.	*	H	α-helix	trans	-60.7	-42	170.8	-63.5	-28.4	0	0	0	112	S352 L358 A359 N360	S352-D356 PolarHBondContact O-N 2.96Å; D356-L358 VanDerWaalsContact C-N 3.3Å; D356-L358 PolarHBondContact O-N 3.01Å; D356-A359 PolarHBondContact O-N 3.42Å; D356-N360 PolarHBondContact O-N 3.03Å; D356-N360 PolarHBondContact O-ND2 2.99Å
357	M	41.6	Very low	39.3	Very low	105 Å²	105	136.3 Å²	136.3	52%	0.517	67%	0.668	S	S	.	*	H	α-helix	trans	-67.9	-28.4	176.7	-73.4	-174.9	-57.7	0	0	113	K353 L354 Q355 L361	K353-M357 WeakPolarHBondContact O-CE 3.45Å; K353-M357 VanDerWaalsContact O-CG 3.32Å; K353-M357 WeakPolarHBondContact O-CG 3.28Å; K353-M357 PolarHBondContact O-N 3.27Å; K353-M357 VanDerWaalsContact O-N 3.15Å; L354-M357 HydrophobicContact CG-CE 4.25Å; Q355-M357 PolarHBondContact O-N 3.42Å; M357-L361 PolarHBondContact O-N 3.26Å
358	L	46	Very low	38.9	Very low	109 Å²	109	132.1 Å²	132.1	57%	0.571	66%	0.663	S	S	*	*	H	α-helix	trans	-78.6	-25.3	173.5	-79	165	0	0	0	113	L354 Q355 D356	L354-L358 HydrophobicContact CD2-CD1 4.12Å; L354-L358 WeakPolarHBondContact O-CG 3.32Å; L354-L358 PolarHBondContact O-N 3.17Å; Q355-L358 PolarHBondContact O-N 2.75Å; D356-L358 VanDerWaalsContact C-N 3.3Å; D356-L358 PolarHBondContact O-N 3.01Å
359	A	47.8	Very low	38.9	Very low	51 Å²	51	127.2 Å²	127.2	42%	0.421	65%	0.651	S	S	.	*	H	α-helix	trans	-70.7	-51.4	169.3	0	0	0	0	0	111.1	Q355 D356 L361 R362	Q355-A359 PolarHBondContact O-N 2.92Å; D356-A359 PolarHBondContact O-N 3.42Å; A359-L361 PolarHBondContact O-N 3.37Å; A359-R362 PolarHBondContact O-N 3.36Å
360	N	43.2	Very low	38.5	Very low	117 Å²	117	130.6 Å²	130.6	63%	0.626	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	-2.3	180	-69.6	-71.1	0	0	0	114.8	D356	D356-N360 PolarHBondContact O-N 3.03Å; D356-N360 PolarHBondContact O-ND2 2.99Å
361	L	37.9	Very low	37.6	Very low	139 Å²	139	132.1 Å²	132.1	73%	0.728	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.7	5.8	171.4	-83.4	168	0	0	0	113.5	M357 A359	M357-L361 PolarHBondContact O-N 3.26Å; A359-L361 PolarHBondContact O-N 3.37Å
362	R	37.4	Very low	37.7	Very low	218 Å²	218	126.4 Å²	126.4	82%	0.823	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.2	-17.9	169	-77.8	-174.6	163.9	-169.4	-5.8	113.8	A359 T364	A359-R362 PolarHBondContact O-N 3.36Å; R362-T364 PolarHBondContact O-N 2.7Å
363	D	33.9	Very low	36.5	Very low	131 Å²	131	131.3 Å²	131.3	70%	0.701	67%	0.669	S	S	*	*			trans	-95.2	42.5	-172.8	-63.8	-23.5	0	0	0	113.4
364	T	31	Very low	36.3	Very low	110 Å²	110	129.5 Å²	129.5	68%	0.675	67%	0.672	S	S	*	*	S	Bend	trans	-130	110.2	168.2	53.2	0	0	0	0	111.3	R362	R362-T364 PolarHBondContact O-N 2.7Å
365	E	29.3	Very low	35.8	Very low	201 Å²	201	131.5 Å²	131.5	94%	0.939	69%	0.688	S	S	*	*			trans	72.9	67.5	167.6	-55.5	-170.5	-173.2	0	0	117
366	D	30.5	Very low	35.3	Very low	157 Å²	157	130.7 Å²	130.7	84%	0.84	70%	0.695	S	S	*	*			trans	-98.2	172.7	144.5	-167.2	8.5	0	0	0	109.7
367	L	31	Very low	34.5	Very low	136 Å²	136	134.8 Å²	134.8	71%	0.712	71%	0.711	S	S	*	*			trans	91.7	126	-173	-55.5	172.8	0	0	0	114
368	S	26.9	Very low	34	Very low	106 Å²	106	135 Å²	135	74%	0.741	72%	0.723	S	S	*	*			cis	-154.2	161.4	31.4	56	0	0	0	0	110.4
369	H	30.3	Very low	33.3	Very low	143 Å²	143	141.1 Å²	141.1	66%	0.662	74%	0.738	S	S	*	*			cis	-166.4	-176.5	-4.2	-115.1	-9.8	0	0	0	107.7
370	M	26.4	Very low	32.8	Very low	148 Å²	148	144 Å²	144	73%	0.729	75%	0.753	S	S	*	*			cis	-151.1	-147.7	10.6	-136.5	-55.8	166	0	0	110.7
371	Q	25.4	Very low	31.9	Very low	166 Å²	166	144.2 Å²	144.2	78%	0.776	76%	0.763	S	S	*	*			trans	-159.9	-176.5	-170.4	-108.7	-152.9	-15.6	0	0	110.2
372	P	45.6	Very low	31.5	Very low	90 Å²	90	143.9 Å²	143.9	58%	0.584	77%	0.767	S	S	*	*				-142.3	-160.5	-50.7	39.1	-18.6	0	0	0	114.1
373	Q	24.8	Very low	31.5	Very low	173 Å²	173	138.9 Å²	138.9	81%	0.808	76%	0.763	S	S	*	*			trans	83.3	156.2	156.8	-61.2	-111.5	-16.7	0	0	119.9
374	P	39.1	Very low	31.3	Very low	106 Å²	106	142.6 Å²	142.6	69%	0.688	77%	0.767	S	S	*	*			cis	-139.4	-170.1	-40.1	40	-22.6	0	0	0	114.6
375	T	30.5	Very low	31	Very low	132 Å²	132	145.3 Å²	145.3	81%	0.81	77%	0.769	S	S	*	*			trans	-91.3	160.7	177.4	54.3	0	0	0	0	114.6
376	P	36.8	Very low	30.9	Very low	116 Å²	116	139.9 Å²	139.9	75%	0.753	75%	0.754	S	S	*	*				-150.9	-172	122.3	38	-20.8	0	0	0	113.6
377	Q	29.1	Very low	30.8	Very low	177 Å²	177	138.8 Å²	138.8	83%	0.827	74%	0.744	S	S	*	*			cis	-160.4	154.5	-49.5	-97	-175.4	-12.1	0	0	109.4
378	S	32.1	Very low	30.8	Very low	110 Å²	110	139.6 Å²	139.6	77%	0.769	74%	0.744	S	S	*	*			trans	13.4	146.3	158.8	54.2	0	0	0	0	126.6
379	R	30	Very low	31	Very low	237 Å²	237	141.7 Å²	141.7	89%	0.894	74%	0.742	S	S	*	*			trans	-28.1	160.2	154.6	-94.1	-176.8	178.4	-173.1	0.6	117.6
380	P	37.9	Very low	31.1	Very low	111 Å²	111	138.1 Å²	138.1	72%	0.721	74%	0.743	S	S	*	*				-157.1	179.7	51.4	42.5	-20.4	0	0	0	121.6
381	S	25.1	Very low	31.4	Very low	121 Å²	121	137.1 Å²	137.1	85%	0.846	74%	0.741	S	S	*	*			trans	75.6	158	150.7	49.5	0	0	0	0	123.1
382	V	29.5	Very low	31.8	Very low	133 Å²	133	137.4 Å²	137.4	81%	0.806	74%	0.735	S	S	*	*			trans	-108.5	162.6	-169.5	-138.2	0	0	0	0	111.6
383	P	37.4	Very low	31.1	Very low	113 Å²	113	137 Å²	137	73%	0.734	73%	0.73	S	S	*	*				-158.9	144.9	86.5	39.2	-18.1	0	0	0	120.5
384	R	29.6	Very low	31.3	Very low	208 Å²	208	135.5 Å²	135.5	79%	0.785	72%	0.723	S	S	*	*			trans	62	156.2	137.3	-70.9	-171.1	174.4	169.6	-3.3	125.2
385	F	24.8	Very low	31	Very low	167 Å²	167	136.5 Å²	136.5	73%	0.732	72%	0.719	S	S	*	*			trans	67.6	138.2	163.8	-62.2	-74.2	0	0	0	116.6
386	S	26.8	Very low	31.1	Very low	87 Å²	87	135.5 Å²	135.5	61%	0.608	71%	0.713	S	S	*	*			cis	-172.2	-170.1	-18.4	52.5	0	0	0	0	108.8
387	E	27	Very low	30.7	Very low	135 Å²	135	138.4 Å²	138.4	63%	0.631	72%	0.716	S	S	*	*			cis	-152	152.7	2.8	-138.1	96.6	-121.2	0	0	107.6
388	H	33	Very low	30.7	Very low	153 Å²	153	134 Å²	134	71%	0.708	71%	0.71	S	S	*	*				54.1	138.5	113.9	-71.7	21.4	0	0	0	118.7
389	E	31	Very low	30.6	Very low	150 Å²	150	136.5 Å²	136.5	70%	0.701	71%	0.714	S	S	*	*			cis	-149.9	159.8	-0.5	-117.6	172.4	124.5	0	0	107.8	N391	E389-N391 PolarHBondContact OE1-ND2 3.05Å
390	G	31.8	Very low	30.3	Very low	67 Å²	67	131.4 Å²	131.4	69%	0.691	71%	0.709	S	S	*	*			cis	127.6	167.7	40.1	0	0	0	0	0	107.4
391	N	31.5	Very low	30.1	Very low	127 Å²	127	135.6 Å²	135.6	68%	0.679	72%	0.716	S	S	*	*			cis	-164.7	161.8	-7.8	-78	-40.4	0	0	0	105	E389	E389-N391 PolarHBondContact OE1-ND2 3.05Å
392	R	34.1	Very low	30.9	Very low	173 Å²	173	135.5 Å²	135.5	65%	0.653	71%	0.713	S	S	*	*			cis	-159.9	151.3	-4.4	-120	-162.6	84.8	83.7	10.6	103.8	E394 E395	R392-E394 IonicContact CZ-OE1 2.71Å; R392-E394 IonicContact NE-OE1 3.97Å; R392-E394 PolarHBondContact NE-OE1 3.42Å; R392-E394 IonicContact NH2-OE1 2.79Å; R392-E394 PolarHBondContact NH2-OE1 3.49Å; R392-E395 IonicContact CZ-OE1 3.61Å; R392-E395 IonicContact NH1-OE1 3.43Å; R392-E395 IonicContact NH2-OE1 3Å; R392-E395 PolarHBondContact NH2-OE1 2.91Å
393	T	30.8	Very low	31.7	Very low	80 Å²	80	134 Å²	134	49%	0.491	71%	0.706	S	S	.	*			cis	-154.9	-118.6	-5.7	-15.8	0	0	0	0	108.8	E395	T393-E395 HydrophobicContact CG2-CG 4.32Å; T393-E395 WeakPolarHBondContact CG2-OE1 3.3Å
394	E	29.8	Very low	31.2	Very low	142 Å²	142	134.9 Å²	134.9	66%	0.664	71%	0.709	S	S	*	*			cis	-156.2	127.4	-9	-127.7	127.3	-113.9	0	0	104.3	R392	R392-E394 IonicContact CZ-OE1 2.71Å; R392-E394 IonicContact NE-OE1 3.97Å; R392-E394 PolarHBondContact NE-OE1 3.42Å; R392-E394 IonicContact NH2-OE1 2.79Å; R392-E394 PolarHBondContact NH2-OE1 3.49Å
395	E	32.9	Very low	31.7	Very low	128 Å²	128	131.1 Å²	131.1	60%	0.598	71%	0.712	S	S	*	*				96.7	127.5	56	-81.2	-173.6	-136.4	0	0	112.5	R392 T393	R392-E395 IonicContact CZ-OE1 3.61Å; R392-E395 IonicContact NH1-OE1 3.43Å; R392-E395 IonicContact NH2-OE1 3Å; R392-E395 PolarHBondContact NH2-OE1 2.91Å; T393-E395 HydrophobicContact CG2-CG 4.32Å; T393-E395 WeakPolarHBondContact CG2-OE1 3.3Å
396	V	31.5	Very low	31.8	Very low	111 Å²	111	126.3 Å²	126.3	67%	0.673	71%	0.71	S	S	*	*			cis	-150.8	161.3	-1.8	-122	0	0	0	0	113.9
397	E	29.8	Very low	32.1	Very low	176 Å²	176	131.8 Å²	131.8	82%	0.822	72%	0.722	S	S	*	*			trans	21.4	154	145.2	-67.7	162.7	172.7	0	0	124.3
398	A	29.1	Very low	32.2	Very low	84 Å²	84	129.6 Å²	129.6	69%	0.694	72%	0.722	S	S	*	*			cis	120.8	126.1	-8.4	0	0	0	0	0	118.6
399	L	28.7	Very low	31.8	Very low	164 Å²	164	131.9 Å²	131.9	86%	0.859	73%	0.73	S	S	*	*			trans	67.6	161.8	161.9	-53	170.3	0	0	0	117.3
400	T	24.4	Very low	31.8	Very low	129 Å²	129	131.3 Å²	131.3	79%	0.791	73%	0.731	S	S	*	*			cis	-154.5	173.3	9.6	-22.4	0	0	0	0	112.7
401	F	32.9	Very low	31.6	Very low	199 Å²	199	136.6 Å²	136.6	87%	0.873	74%	0.74	S	S	*	*			trans	-72.5	176.7	171.9	-72.9	-83.4	0	0	0	114.1
402	P	42.8	Very low	31.4	Very low	119 Å²	119	133.3 Å²	133.3	77%	0.773	74%	0.736	S	S	*	*			cis	-139	-123.5	25.5	30.7	-0.7	0	0	0	118.3
403	P	45.8	Very low	31	Very low	101 Å²	101	130.6 Å²	130.6	66%	0.656	74%	0.738	S	S	*	*				-130.4	178.1	-102.5	41.9	-24.6	0	0	0	120
404	T	27.3	Very low	30.9	Very low	132 Å²	132	135.6 Å²	135.6	81%	0.81	76%	0.756	S	S	*	*			trans	73.7	168.4	166.6	76	0	0	0	0	117.6
405	P	40.1	Very low	31	Very low	129 Å²	129	138.6 Å²	138.6	84%	0.838	77%	0.77	S	S	*	*			cis	-125	-164.4	-6.1	42.6	-26.3	0	0	0	114
406	G	26.4	Very low	30.9	Very low	67 Å²	67	135.4 Å²	135.4	69%	0.691	77%	0.772	S	S	*	*			trans	-139.8	-178	179.2	0	0	0	0	0	116.1
407	K	34.3	Very low	30.7	Very low	201 Å²	201	138.2 Å²	138.2	87%	0.874	78%	0.78	S	S	*	*			trans	179.3	142.9	170.8	-95.7	153.4	179.9	-177.5	0	107.5
408	S	28.4	Very low	30.8	Very low	89 Å²	89	136.2 Å²	136.2	62%	0.622	77%	0.77	S	S	*	*			cis	114.6	124.1	8.6	72.4	0	0	0	0	113.3
409	F	25.3	Very low	30.8	Very low	201 Å²	201	138 Å²	138	88%	0.882	77%	0.769	S	S	*	*			trans	141.8	145.5	166.5	-79.6	-42.4	0	0	0	109
410	I	29.8	Very low	30.9	Very low	139 Å²	139	135.5 Å²	135.5	71%	0.713	76%	0.76	S	S	*	*			cis	-147.9	126.9	-6.9	-99.6	158.7	0	0	0	103.9
411	M	28.1	Very low	31.3	Very low	178 Å²	178	137.4 Å²	137.4	88%	0.877	76%	0.764	S	S	*	*				75.1	127.6	65.7	-172.7	177.1	178.8	0	0	114.6
412	G	26.4	Very low	31	Very low	58 Å²	58	131.8 Å²	131.8	60%	0.598	76%	0.762	S	S	*	*			trans	151.3	74.2	-178.8	0	0	0	0	0	112.2
413	T	26.9	Very low	30.4	Very low	115 Å²	115	135 Å²	135	71%	0.706	77%	0.772	S	S	*	*				63.3	98.5	111.8	57	0	0	0	0	114.2
414	E	27.4	Very low	29.7	Very low	186 Å²	186	134 Å²	134	87%	0.869	78%	0.779	S	S	*	*				74.6	105.4	75.2	-75.2	-165.9	140.4	0	0	114.4
415	E	31.9	Very low	30.3	Very low	204 Å²	204	136.8 Å²	136.8	95%	0.953	78%	0.783	S	S	*	*				-179.9	139.6	117.9	-97.1	-179.4	-174.9	0	0	108.1
416	G	31.6	Very low	30	Very low	62 Å²	62	139.1 Å²	139.1	64%	0.639	79%	0.788	S	S	*	*			cis	170.5	129.9	-12.2	0	0	0	0	0	112.3
417	M	28.3	Very low	30.2	Very low	169 Å²	169	141.1 Å²	141.1	83%	0.833	80%	0.798	S	S	*	*			trans	66	146.9	149.7	-59.9	-164.9	151	0	0	119.3
418	E	30.3	Very low	30.3	Very low	134 Å²	134	134.7 Å²	134.7	63%	0.626	79%	0.789	S	S	*	*			cis	-164.8	155.2	-9.3	-119.3	-169.3	-175.7	0	0	112.5
419	N	30.7	Very low	30.3	Very low	123 Å²	123	138 Å²	138	66%	0.658	80%	0.799	S	S	*	*			trans	50.5	151.9	135.1	-66.2	-20.5	0	0	0	122.3
420	V	30.6	Very low	30.5	Very low	111 Å²	111	135.5 Å²	135.5	67%	0.673	80%	0.8	S	S	*	*			cis	-152.8	142.9	7.5	102.5	0	0	0	0	113.3
421	L	31.7	Very low	30.5	Very low	169 Å²	169	134.2 Å²	134.2	89%	0.885	80%	0.798	S	S	*	*			trans	21.7	133.5	149.5	-54.5	170.3	0	0	0	122.1
422	G	28.1	Very low	30.5	Very low	81 Å²	81	130 Å²	130	84%	0.835	79%	0.792	S	S	*	*			trans	-165.5	89.4	167.1	0	0	0	0	0	114.8
423	L	29.5	Very low	30.7	Very low	187 Å²	187	134.8 Å²	134.8	98%	0.979	80%	0.804	S	S	*	*			trans	-36	138.3	178.3	-67.6	135.6	0	0	0	117.4
424	G	30.9	Very low	31	Very low	78 Å²	78	137.3 Å²	137.3	80%	0.804	81%	0.808	S	S	*	*			trans	160.9	92.8	158.4	0	0	0	0	0	117.3
425	E	39.7	Very low	31.2	Very low	191 Å²	191	132.9 Å²	132.9	89%	0.893	80%	0.803	S	S	*	*			trans	-79.1	177.5	152.8	-68.4	-175.8	121.9	0	0	110.4
426	L	32.8	Very low	31.3	Very low	178 Å²	178	130.7 Å²	130.7	93%	0.932	80%	0.798	S	S	*	*			trans	75.7	75.6	176.8	-61.8	151.4	0	0	0	116.3
427	A	31.4	Very low	31.2	Very low	110 Å²	110	131.6 Å²	131.6	91%	0.909	79%	0.794	S	S	*	*			trans	-138.2	48.5	161	0	0	0	0	0	112.2
428	G	36.2	Very low	31.1	Very low	66 Å²	66	132.2 Å²	132.2	68%	0.68	80%	0.797	S	S	*	*			trans	-94	179.7	163.5	0	0	0	0	0	112
429	L	29.2	Very low	31.1	Very low	158 Å²	158	131.1 Å²	131.1	83%	0.827	80%	0.799	S	S	*	*			trans	73.9	83.6	173.1	-52.5	172	0	0	0	117
430	T	29.5	Very low	31	Very low	149 Å²	149	135.1 Å²	135.1	91%	0.914	81%	0.807	S	S	*	*				-111.7	142.1	126.3	46.2	0	0	0	0	108.2
431	V	29.8	Very low	31	Very low	111 Å²	111	137.3 Å²	137.3	67%	0.673	81%	0.814	S	S	*	*			trans	-89.5	131	-156.9	-178.8	0	0	0	0	112.7	E434	V431-E434 HydrophobicContact CG1-CG 4.5Å
432	A	28.8	Very low	31	Very low	91 Å²	91	137 Å²	137	75%	0.752	81%	0.812	S	S	*	*	S	Bend	trans	-134.4	122.6	159.8	0	0	0	0	0	108.3
433	N	30.5	Very low	31.2	Very low	158 Å²	158	136 Å²	136	85%	0.845	80%	0.802	S	S	*	*			trans	29.3	89.9	178.1	-71.2	10.1	0	0	0	117.1	A435	N433-A435 PolarHBondContact O-N 2.92Å; N433-A435 VanDerWaalsContact O-N 3.12Å
434	E	32	Very low	31.5	Very low	168 Å²	168	135.4 Å²	135.4	79%	0.785	80%	0.8	S	S	*	*			trans	-67.5	106	159.8	-69.1	178.7	172.1	0	0	109.5	V431	V431-E434 HydrophobicContact CG1-CG 4.5Å
435	A	31.7	Very low	31.4	Very low	92 Å²	92	137.4 Å²	137.4	76%	0.76	79%	0.792	S	S	*	*			trans	-142.6	32.1	171.8	0	0	0	0	0	111.4	N433 S437	N433-A435 PolarHBondContact O-N 2.92Å; N433-A435 VanDerWaalsContact O-N 3.12Å; A435-S437 PolarHBondContact O-N 2.96Å
436	D	34	Very low	31.1	Very low	159 Å²	159	137.7 Å²	137.7	85%	0.85	79%	0.79	S	S	*	*			trans	-67.5	117.1	163.1	-89.3	-45.3	0	0	0	108.1
437	S	29.3	Very low	31.2	Very low	81 Å²	81	136.9 Å²	136.9	57%	0.566	79%	0.787	S	S	*	*				78.3	85.2	70.1	-168.1	0	0	0	0	111.5	A435 V439	A435-S437 PolarHBondContact O-N 2.96Å; S437-V439 PolarHBondContact O-N 3.22Å; S437-V439 VanDerWaalsContact O-N 3.13Å
438	M	27.5	Very low	31.5	Very low	182 Å²	182	134.9 Å²	134.9	90%	0.897	77%	0.771	S	S	*	*			trans	-72.6	96.1	157.3	-74.5	-162.5	-65.3	0	0	108.1	Y440	M438-Y440 PolarHBondContact O-N 3.34Å
439	V	30.1	Very low	31.5	Very low	110 Å²	110	139.2 Å²	139.2	67%	0.667	78%	0.775	S	S	*	*			trans	-65.8	121	179	177.9	0	0	0	0	110.5	S437	S437-V439 PolarHBondContact O-N 3.22Å; S437-V439 VanDerWaalsContact O-N 3.13Å
440	Y	27.2	Very low	32.4	Very low	208 Å²	208	143.2 Å²	143.2	82%	0.816	78%	0.779	S	S	*	*			trans	-113.9	139.3	151.7	-83.7	-82.6	0	0	0	108.3	M438 I442	M438-Y440 PolarHBondContact O-N 3.34Å; Y440-I442 PolarHBondContact O-N 2.98Å
441	D	31.4	Very low	33.8	Very low	156 Å²	156	144.9 Å²	144.9	83%	0.834	77%	0.774	S	S	*	*			trans	-65.5	116.9	-172.5	-82.2	-58.8	0	0	0	113.6
442	I	30.8	Very low	36.4	Very low	162 Å²	162	143.9 Å²	143.9	83%	0.831	77%	0.768	S	S	*	*			trans	-129.7	120.6	148.1	-66.3	89.7	0	0	0	107.8	Y440	Y440-I442 PolarHBondContact O-N 2.98Å
443	G	33.2	Very low	39.4	Very low	61 Å²	61	141.9 Å²	141.9	63%	0.629	74%	0.741	S	S	*	*			trans	-82.8	161.8	-179.4	0	0	0	0	0	114.4
444	N	34.7	Very low	42.2	Very low	174 Å²	174	138.9 Å²	138.9	93%	0.93	73%	0.725	S	S	*	*			trans	60.4	65.8	163.2	-68.5	11.3	0	0	0	118.6
445	N	29.8	Very low	45	Very low	121 Å²	121	135.2 Å²	135.2	65%	0.647	72%	0.716	S	S	*	*			trans	-144.4	88.2	143.4	-163.7	-14.1	0	0	0	111.6	A448	N445-A448 WeakPolarHBondContact OD1-CB 3.41Å; N445-A448 PolarHBondContact OD1-N 3.49Å
446	K	33.3	Very low	47.8	Very low	196 Å²	196	134.7 Å²	134.7	85%	0.852	70%	0.696	S	S	*	*			trans	-98.7	-10.9	-178.4	-96.1	-175.5	174.6	177.7	0	115
447	D	34.6	Very low	50.6	Low	161 Å²	161	127.4 Å²	127.4	86%	0.861	66%	0.657	S	S	*	*	S	Bend	trans	-103	-16.1	-171.6	-59.6	-64.5	0	0	0	113.9	M449	D447-M449 VanDerWaalsContact C-N 3.32Å; D447-M449 PolarHBondContact O-N 2.94Å
448	A	37.9	Very low	53.6	Low	69 Å²	69	124.8 Å²	124.8	57%	0.57	64%	0.638	S	S	*	*	S	Bend	trans	-73.4	-18.1	178.5	0	0	0	0	0	114.5	N445	N445-A448 WeakPolarHBondContact OD1-CB 3.41Å; N445-A448 PolarHBondContact OD1-N 3.49Å
449	M	37	Very low	56.8	Low	156 Å²	156	116.2 Å²	116.2	77%	0.768	60%	0.595	S	S	*	*	S	Bend	trans	-111.6	70.5	-168.3	-78.7	-85	-87.2	0	0	112.7	D447	D447-M449 VanDerWaalsContact C-N 3.32Å; D447-M449 PolarHBondContact O-N 2.94Å
450	R	46.5	Very low	59.9	Low	242 Å²	242	117.7 Å²	117.7	91%	0.913	59%	0.589	S	S	*	*			trans	178.5	60.5	157.9	-99.8	159.2	-158.8	-152	6.8	113.7
451	K	60.7	Low	63.1	Low	184 Å²	184	109.5 Å²	109.5	80%	0.8	56%	0.562	S	S	*	*			trans	-131.3	84.8	162.7	-76.3	-172.2	179.3	176	0	110.5
452	T	84.2	Confident	66.2	Low	90 Å²	90	102.7 Å²	102.7	55%	0.552	53%	0.525	S	S	*	.			trans	-82.3	127	170.6	-52.8	0	0	0	0	108.4	N454 Q740	T452-N454 PolarHBondContact O-ND2 3.38Å; T452-Q740 HydrophobicContact CG2-CG 4.37Å
453	W	90.6	Very high	69.3	Low	50 Å²	50	103.5 Å²	103.5	19%	0.189	52%	0.523	C	S	.	.			trans	-71.4	128.4	175.2	-67.7	88	0	0	0	110.6	L730 Q740 C763 I765 F777 V778	W453-L730 HydrophobicContact CB-CD1 4.45Å; W453-L730 HydrophobicContact CG-CD1 3.92Å; W453-Q740 PolarHBondContact O-NE2 2.94Å; W453-C763 HydrophobicContact CH2-CB 4.24Å; W453-C763 HydrophobicContact CZ3-CB 4.37Å; W453-I765 HydrophobicContact CB-CD1 3.98Å; W453-I765 HydrophobicContact CD2-CD1 3.7Å; W453-I765 HydrophobicContact CD2-CG1 4Å; W453-I765 HydrophobicContact CD2-CG2 4.47Å; W453-I765 HydrophobicContact CE3-CB 4.49Å; W453-I765 HydrophobicContact CE3-CD1 3.93Å; W453-I765 HydrophobicContact CE3-CG1 3.68Å; W453-I765 HydrophobicContact CE3-CG2 4.32Å; W453-I765 HydrophobicContact CG-CD1 3.75Å; W453-I765 HydrophobicContact CG-CG1 4.49Å; W453-I765 HydrophobicContact CH2-CG2 3.8Å; W453-I765 HydrophobicContact CZ2-CG2 3.98Å; W453-I765 HydrophobicContact CZ3-CB 4.38Å; W453-I765 HydrophobicContact CZ3-CG1 4.04Å; W453-I765 HydrophobicContact CZ3-CG2 3.99Å; W453-F777 HydrophobicContact CB-CB 4.35Å; W453-F777 HydrophobicContact CE3-CB 4.44Å; W453-V778 CarbonylContact C-O 3.58Å; W453-V778 WeakPolarHBondContact CA-O 3.49Å
454	N	89.8	Confident	72.3	Confident	94 Å²	94	103.8 Å²	103.8	50%	0.503	51%	0.511	S	S	.	.			trans	-118.9	139	-175.8	-77.2	-90.8	0	0	0	111.4	T452 K456 F777 V778	T452-N454 PolarHBondContact O-ND2 3.38Å; N454-K456 PolarHBondContact O-N 3.43Å; N454-F777 CarbonylContact O-C 3.59Å; N454-F777 WeakPolarHBondContact O-CA 3.45Å; N454-F777 WeakPolarHBondContact O-CB 3.32Å; N454-V778 PolarHBondContact N-O 3.05Å; N454-V778 PolarHBondContact O-N 3.4Å
455	P	89.9	Confident	75.3	Confident	92 Å²	92	95.5 Å²	95.5	60%	0.597	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.4	122.2	179.3	26.3	-33.5	0	0	0	111	F777	P455-F777 VanDerWaalsContact CA-CD1 3.45Å; P455-F777 HydrophobicContact CB-CD1 3.79Å; P455-F777 HydrophobicContact CB-CE1 3.78Å
456	K	91.3	Very high	78.6	Confident	81 Å²	81	89.8 Å²	89.8	35%	0.352	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	-43	-178.5	-174	-178.5	-179.9	-178.9	0	112.5	N454 Y764 V776 V778	N454-K456 PolarHBondContact O-N 3.43Å; K456-Y764 HydrophobicContact CD-CE1 4.07Å; K456-Y764 PolarHBondContact NZ-OH 3.49Å; K456-V776 PolarHBondContact N-O 3.15Å; K456-V778 HydrophobicContact CB-CG1 4.36Å; K456-V778 HydrophobicContact CB-CG2 4.16Å; K456-V778 HydrophobicContact CD-CB 4.41Å; K456-V778 HydrophobicContact CD-CG1 3.55Å; K456-V778 HydrophobicContact CD-CG2 3.96Å; K456-V778 HydrophobicContact CG-CG2 4.46Å
457	F	92.2	Very high	81.7	Confident	5 Å²	5	83.6 Å²	83.6	2%	0.022	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	148.7	-179.5	-55.2	-56.8	0	0	0	111.3	L459 L492 T495 L504 V506 K775 V776	F457-L459 HydrophobicContact CB-CD2 4.15Å; F457-L492 HydrophobicContact CD2-CB 4.5Å; F457-L492 HydrophobicContact CD2-CD2 4.03Å; F457-L492 HydrophobicContact CE2-CB 4Å; F457-L492 HydrophobicContact CE2-CD2 4.35Å; F457-T495 HydrophobicContact CE1-CG2 3.46Å; F457-T495 VanDerWaalsContact CE1-CG2 3.46Å; F457-T495 HydrophobicContact CZ-CG2 3.72Å; F457-L504 HydrophobicContact CD1-CB 4Å; F457-L504 HydrophobicContact CE1-CB 4.02Å; F457-L504 HydrophobicContact CE1-CD1 4.09Å; F457-V506 HydrophobicContact CD1-CG2 3.81Å; F457-V506 HydrophobicContact CE1-CG2 3.93Å; F457-V506 HydrophobicContact CG-CG2 4.17Å; F457-V506 HydrophobicContact CZ-CG2 4.35Å; F457-K775 WeakPolarHBondContact O-CA 3.49Å; F457-V776 HydrophobicContact CB-CB 4.18Å; F457-V776 HydrophobicContact CD2-CB 4.12Å; F457-V776 HydrophobicContact CD2-CG1 4.32Å; F457-V776 PolarHBondContact N-O 3.42Å; F457-V776 VanDerWaalsContact N-O 3.09Å; F457-V776 PolarHBondContact O-N 3.48Å; F457-V776 VanDerWaalsContact O-N 3.08Å
458	T	93.7	Very high	84.7	Confident	27 Å²	27	76.2 Å²	76.2	17%	0.166	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	108.7	164.1	-62.8	0	0	0	0	107	R460 L773 K775	T458-R460 HydrophobicContact CG2-CG 4.42Å; T458-L773 HydrophobicContact CG2-CB 4.32Å; T458-L773 HydrophobicContact CG2-CD1 3.87Å; T458-L773 HydrophobicContact CG2-CD2 4.36Å; T458-L773 HydrophobicContact CG2-CG 4.42Å; T458-K775 HydrophobicContact CG2-CG 4.12Å
459	L	95	Very high	87.6	Confident	1 Å²	1	73.2 Å²	73.2	1%	0.005	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	131	-173.4	-52.2	178.6	0	0	0	108.8	F457 L478 W490 L492 V506 A774 V776	F457-L459 HydrophobicContact CB-CD2 4.15Å; L459-L478 HydrophobicContact CD1-CD2 3.66Å; L459-W490 HydrophobicContact CB-CD2 4.13Å; L459-W490 HydrophobicContact CB-CE3 3.95Å; L459-W490 HydrophobicContact CB-CH2 3.77Å; L459-W490 HydrophobicContact CB-CZ2 3.99Å; L459-W490 HydrophobicContact CB-CZ3 3.77Å; L459-W490 HydrophobicContact CD1-CB 4.24Å; L459-W490 HydrophobicContact CD1-CD2 3.88Å; L459-W490 HydrophobicContact CD1-CE3 4.32Å; L459-W490 HydrophobicContact CD1-CG 3.85Å; L459-W490 HydrophobicContact CD2-CD2 4.32Å; L459-W490 HydrophobicContact CD2-CE3 3.95Å; L459-W490 HydrophobicContact CD2-CZ3 4.41Å; L459-W490 HydrophobicContact CG-CD2 4.33Å; L459-W490 HydrophobicContact CG-CE3 4.29Å; L459-L492 HydrophobicContact CD2-CD2 4.42Å; L459-V506 HydrophobicContact CD2-CB 3.76Å; L459-V506 HydrophobicContact CD2-CG1 4.27Å; L459-V506 HydrophobicContact CD2-CG2 4.41Å; L459-A774 HydrophobicContact CB-CB 4.2Å; L459-A774 WeakPolarHBondContact CB-O 3.22Å; L459-A774 HydrophobicContact CD1-CB 4.06Å; L459-A774 HydrophobicContact CG-CB 4.49Å; L459-A774 PolarHBondContact N-O 3.25Å; L459-V776 HydrophobicContact CD1-CG2 4.16Å
460	R	93.6	Very high	90.5	Very high	141 Å²	141	66.9 Å²	66.9	53%	0.532	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	102.1	-170.7	-59.9	-177	-171.9	-72.9	-0.7	110	T458 L773	T458-R460 HydrophobicContact CG2-CG 4.42Å; R460-L773 HydrophobicContact CG-CD2 4.06Å
461	S	94.5	Very high	92.9	Very high	36 Å²	36	55.7 Å²	55.7	25%	0.252	27%	0.271	S	S	.	.			trans	-170	-20.2	174.8	-171.9	0	0	0	0	113.5	K488 W490	S461-K488 VanDerWaalsContact O-CE 3.28Å; S461-K488 WeakPolarHBondContact O-CE 3.2Å; S461-K488 PolarHBondContact O-NZ 2.99Å; S461-K488 PolarHBondContact OG-NZ 2.89Å; S461-W490 VanDerWaalsContact CB-CH2 3.47Å
462	H	96.8	Very high	94.7	Very high	13 Å²	13	47.6 Å²	47.6	6%	0.06	24%	0.236	C	C	.	.			trans	-69	145.6	169.6	-77.7	-68.6	0	0	0	110.6	I466 T480 S482 D484 T486 K488	H462-I466 HydrophobicContact CB-CD1 4.18Å; H462-I466 HydrophobicContact CB-CG1 4.04Å; H462-I466 VanDerWaalsContact CD2-CD1 3.49Å; H462-I466 WeakPolarHBondContact CD2-CD1 3.47Å; H462-T480 PolarHBondContact CD2-OG1 3.36Å; H462-T480 PolarHBondContact NE2-OG1 2.83Å; H462-S482 WeakPolarHBondContact CE1-CB 3.35Å; H462-S482 WeakPolarHBondContact ND1-CB 3.13Å; H462-S482 PolarHBondContact ND1-OG 2.97Å; H462-D484 WeakPolarHBondContact CA-OD2 3.44Å; H462-D484 IonicContact CE1-OD1 3.68Å; H462-D484 IonicContact CG-OD2 2.74Å; H462-D484 VanDerWaalsContact ND1-CG 3.29Å; H462-D484 IonicContact ND1-OD1 3.14Å; H462-D484 PolarHBondContact ND1-OD1 3.43Å; H462-D484 VanDerWaalsContact ND1-OD1 3.08Å; H462-D484 IonicContact ND1-OD2 2.82Å; H462-D484 PolarHBondContact ND1-OD2 2.83Å; H462-T486 PolarHBondContact CE1-OG1 2.7Å; H462-K488 VanDerWaalsContact CE1-CE 3.43Å; H462-K488 WeakPolarHBondContact CE1-CE 3.43Å; H462-K488 WeakPolarHBondContact ND1-CE 3.48Å
463	F	95.9	Very high	95.1	Very high	180 Å²	180	44.5 Å²	44.5	79%	0.789	22%	0.217	S	C	*	.	S	Bend	trans	-92	-17	-179.3	-65.2	-72.2	0	0	0	113	D484	F463-D484 HydrophobicContact CB-CB 4.05Å; F463-D484 PolarHBondContact N-OD2 3.44Å
464	D	97.3	Very high	95.1	Very high	67 Å²	67	47.1 Å²	47.1	36%	0.358	24%	0.238	S	C	.	.	S	Bend	trans	-144.8	-171.8	177.7	-143	-21.6	0	0	0	111.8	S482 E483 K748 A772	D464-S482 PolarHBondContact O-OG 2.91Å; D464-S482 VanDerWaalsContact O-OG 3.13Å; D464-E483 HydrophobicContact CB-CB 4.14Å; D464-K748 IonicContact OD1-NZ 3.39Å; D464-K748 PolarHBondContact OD1-NZ 3.04Å; D464-A772 WeakPolarHBondContact O-CA 3.36Å; D464-A772 WeakPolarHBondContact O-CB 3.39Å
465	G	97.3	Very high	95.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.229	C	C	.	.			trans	-49.8	141.9	-173.7	0	0	0	0	0	113.9	S482 E483	G465-S482 CarbonylContact O-C 3.56Å; G465-S482 WeakPolarHBondContact O-CA 3.27Å; G465-S482 VanDerWaalsContact O-CB 3.31Å; G465-S482 WeakPolarHBondContact O-CB 3.33Å; G465-S482 PolarHBondContact O-OG 3.22Å; G465-E483 PolarHBondContact O-N 2.99Å
466	I	98.5	Very high	95.4	Very high	1 Å²	1	42 Å²	42	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	109.1	175.8	-54.3	-176.4	0	0	0	108.2	H462 T480 A481 H754 A768 G769 L773 A774	H462-I466 HydrophobicContact CB-CD1 4.18Å; H462-I466 HydrophobicContact CB-CG1 4.04Å; H462-I466 VanDerWaalsContact CD2-CD1 3.49Å; H462-I466 WeakPolarHBondContact CD2-CD1 3.47Å; I466-T480 HydrophobicContact CG2-CG2 4.28Å; I466-A481 CarbonylContact C-O 3.49Å; I466-A481 WeakPolarHBondContact CA-O 3.33Å; I466-A481 WeakPolarHBondContact CG2-O 3.27Å; I466-H754 PolarHBondContact O-CD2 3.25Å; I466-A768 HydrophobicContact CB-CB 3.89Å; I466-A768 HydrophobicContact CG2-CB 3.57Å; I466-A768 WeakPolarHBondContact O-CB 3.28Å; I466-G769 PolarHBondContact N-O 3.17Å; I466-L773 VanDerWaalsContact CD1-C 3.46Å; I466-A774 HydrophobicContact CD1-CB 3.88Å
467	R	98.1	Very high	95.6	Very high	65 Å²	65	38.2 Å²	38.2	25%	0.245	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	-29.8	-169.7	-62.7	-66.6	-71.2	-128	10.5	114	A481 E483	R467-A481 PolarHBondContact N-O 2.9Å; R467-E483 WeakPolarHBondContact CD-OE1 3.2Å; R467-E483 HydrophobicContact CG-CG 3.61Å; R467-E483 IonicContact CZ-OE1 3.19Å; R467-E483 IonicContact NE-OE1 3.04Å; R467-E483 IonicContact NH1-OE1 2.88Å; R467-E483 PolarHBondContact NH1-OE1 2.95Å
468	A	98.2	Very high	95.9	Very high	6 Å²	6	38 Å²	38	5%	0.05	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	155.7	179	0	0	0	0	0	112.1	A481 V522 D755	A468-A481 HydrophobicContact CB-CB 4.4Å; A468-A481 PolarHBondContact O-N 3.36Å; A468-V522 HydrophobicContact CB-CG1 3.98Å; A468-D755 WeakPolarHBondContact CA-OD2 3.43Å
469	L	98.2	Very high	96.1	Very high	6 Å²	6	36.7 Å²	36.7	3%	0.031	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	157.5	170.7	52.6	58.1	0	0	0	113	L478 I479 T480 D755 A757 A766 A768	L469-L478 HydrophobicContact CB-CD1 4.37Å; L469-L478 HydrophobicContact CD2-CD1 4.41Å; L469-L478 HydrophobicContact CD2-CD2 4.31Å; L469-I479 CarbonylContact C-O 3.59Å; L469-I479 VanDerWaalsContact CA-O 3.3Å; L469-I479 WeakPolarHBondContact CA-O 3.32Å; L469-T480 HydrophobicContact CB-CG2 4.12Å; L469-D755 PolarHBondContact N-OD2 3.4Å; L469-A757 HydrophobicContact CD1-CB 3.38Å; L469-A766 HydrophobicContact CD2-CB 3.7Å; L469-A768 HydrophobicContact CD2-CB 3.87Å; L469-A768 HydrophobicContact CG-CB 3.93Å
470	T	98	Very high	96.3	Very high	23 Å²	23	36.7 Å²	36.7	14%	0.141	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	139.6	177.4	-164.1	0	0	0	0	111.4	I479 V522 M524	T470-I479 HydrophobicContact CG2-CB 4.13Å; T470-I479 PolarHBondContact N-O 2.7Å; T470-I479 PolarHBondContact O-N 2.66Å; T470-V522 HydrophobicContact CG2-CG1 4.1Å; T470-V522 HydrophobicContact CG2-CG2 3.97Å; T470-M524 HydrophobicContact CG2-CB 4.09Å
471	F	97.9	Very high	96.5	Very high	8 Å²	8	30 Å²	30	4%	0.035	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	145.2	175.2	-81.6	-77.4	0	0	0	110.8	L478 L492 A757 H759 A766	F471-L478 HydrophobicContact CD1-CD1 3.82Å; F471-L478 HydrophobicContact CD2-CD1 4.06Å; F471-L478 HydrophobicContact CE1-CD1 3.87Å; F471-L478 HydrophobicContact CE2-CD1 4.1Å; F471-L478 HydrophobicContact CG-CD1 3.93Å; F471-L478 HydrophobicContact CZ-CD1 4.02Å; F471-L492 HydrophobicContact CE1-CD1 3.86Å; F471-A757 HydrophobicContact CD2-CB 4.11Å; F471-A757 HydrophobicContact CE2-CB 4.35Å; F471-H759 HydrophobicContact CB-CB 4.27Å; F471-H759 HydrophobicContact CD1-CB 3.92Å; F471-H759 AromaticContact CD1-CD2 3.63Å; F471-H759 AromaticContact CD1-CG 3.86Å; F471-H759 HydrophobicContact CD2-CB 3.85Å; F471-H759 HydrophobicContact CE1-CB 4.11Å; F471-H759 AromaticContact CE1-CD2 3.98Å; F471-H759 HydrophobicContact CE2-CB 4.05Å; F471-H759 HydrophobicContact CG-CB 3.77Å; F471-H759 AromaticContact CG-CG 3.96Å; F471-H759 HydrophobicContact CZ-CB 4.17Å; F471-A766 HydrophobicContact CE2-CB 3.62Å; F471-A766 HydrophobicContact CZ-CB 3.56Å
472	H	97	Very high	96.7	Very high	14 Å²	14	28.2 Å²	28.2	7%	0.065	14%	0.142	C	C	.	.			trans	-64.7	133.9	164.4	-171.5	-52.5	0	0	0	109.7	V474 E475 V477 M524 H759	H472-V474 PolarHBondContact ND1-N 3.24Å; H472-V474 PolarHBondContact O-N 2.91Å; H472-E475 HydrophobicContact CB-CB 4.3Å; H472-E475 IonicContact CD2-OE2 2.76Å; H472-E475 IonicContact CE1-OE2 3.91Å; H472-E475 PolarHBondContact ND1-N 3.12Å; H472-E475 IonicContact NE2-OE2 2.68Å; H472-E475 PolarHBondContact NE2-OE2 3.07Å; H472-V477 HydrophobicContact CB-CB 3.87Å; H472-V477 PolarHBondContact N-O 3.02Å; H472-M524 VanDerWaalsContact CA-SD 3.54Å; H472-M524 HydrophobicContact CB-CE 4.37Å; H472-M524 HydrophobicContact CB-SD 3.85Å; H472-H759 PolarHBondContact O-CE1 2.95Å
473	P	93.7	Very high	96.7	Very high	24 Å²	24	29.8 Å²	29.8	16%	0.156	15%	0.149	C	C	.	.	S	Bend	trans	-59.5	-45.8	-174.3	18.1	-31.5	0	0	0	113.3	S526 H759 S761	P473-S526 WeakPolarHBondContact CG-O 3.36Å; P473-H759 PolarHBondContact O-CE1 2.87Å; P473-S761 PolarHBondContact O-OG 3.44Å
474	V	90.9	Very high	96.8	Very high	105 Å²	105	22.6 Å²	22.6	64%	0.636	12%	0.119	S	C	*	.	S	Bend	trans	-98.9	-34.9	-177.3	-174.7	0	0	0	0	114.5	H472 K762	H472-V474 PolarHBondContact ND1-N 3.24Å; H472-V474 PolarHBondContact O-N 2.91Å; V474-K762 PolarHBondContact O-NZ 3.47Å
475	E	92.4	Very high	96.8	Very high	68 Å²	68	23.5 Å²	23.5	32%	0.318	12%	0.12	S	C	.	.	S	Bend	trans	-99.6	155	-172.5	-61.6	-168.2	118.6	0	0	112.8	H472 V477 P548 H759 K762	H472-E475 HydrophobicContact CB-CB 4.3Å; H472-E475 IonicContact CD2-OE2 2.76Å; H472-E475 IonicContact CE1-OE2 3.91Å; H472-E475 PolarHBondContact ND1-N 3.12Å; H472-E475 IonicContact NE2-OE2 2.68Å; H472-E475 PolarHBondContact NE2-OE2 3.07Å; E475-V477 HydrophobicContact CB-CG2 4.23Å; E475-V477 PolarHBondContact O-N 3.28Å; E475-P548 WeakPolarHBondContact OE2-CG 3.29Å; E475-H759 PolarHBondContact O-CE1 2.7Å; E475-H759 PolarHBondContact O-NE2 3.21Å; E475-H759 VanDerWaalsContact O-NE2 3.1Å; E475-K762 VanDerWaalsContact C-NZ 3.32Å; E475-K762 PolarHBondContact O-NZ 2.95Å
476	P	93.3	Very high	96.9	Very high	12 Å²	12	24.2 Å²	24.2	8%	0.078	13%	0.125	C	C	.	.	S	Bend	trans	-80.5	59.2	178	34	-32.6	0	0	0	110.8	L492 Q493 K762 Y764	P476-L492 HydrophobicContact CB-CB 4.44Å; P476-L492 VanDerWaalsContact O-CB 3.26Å; P476-L492 WeakPolarHBondContact O-CB 3.45Å; P476-L492 WeakPolarHBondContact O-CG 3.41Å; P476-L492 PolarHBondContact O-N 2.84Å; P476-Q493 HydrophobicContact CB-CG 4.37Å; P476-Q493 HydrophobicContact CG-CG 3.6Å; P476-K762 HydrophobicContact CB-CD 4.27Å; P476-Y764 HydrophobicContact CB-CE2 4.22Å
477	V	95.7	Very high	96.9	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.006	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	139.6	-179.2	173.2	0	0	0	0	109.2	H472 E475 M489 W490 P548	H472-V477 HydrophobicContact CB-CB 3.87Å; H472-V477 PolarHBondContact N-O 3.02Å; E475-V477 HydrophobicContact CB-CG2 4.23Å; E475-V477 PolarHBondContact O-N 3.28Å; V477-M489 HydrophobicContact CG1-CG 3.45Å; V477-M489 VanDerWaalsContact CG1-CG 3.45Å; V477-M489 HydrophobicContact CG1-SD 3.92Å; V477-W490 VanDerWaalsContact CA-O 3.32Å; V477-W490 WeakPolarHBondContact CA-O 3.15Å; V477-P548 HydrophobicContact CG2-CB 3.8Å; V477-P548 HydrophobicContact CG2-CG 3.92Å
478	L	97.6	Very high	96.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	141.7	171.3	-170.5	75.7	0	0	0	108.7	L459 L469 F471 T480 M489 W490 L492 A766 V776	L459-L478 HydrophobicContact CD1-CD2 3.66Å; L469-L478 HydrophobicContact CB-CD1 4.37Å; L469-L478 HydrophobicContact CD2-CD1 4.41Å; L469-L478 HydrophobicContact CD2-CD2 4.31Å; F471-L478 HydrophobicContact CD1-CD1 3.82Å; F471-L478 HydrophobicContact CD2-CD1 4.06Å; F471-L478 HydrophobicContact CE1-CD1 3.87Å; F471-L478 HydrophobicContact CE2-CD1 4.1Å; F471-L478 HydrophobicContact CG-CD1 3.93Å; F471-L478 HydrophobicContact CZ-CD1 4.02Å; L478-T480 HydrophobicContact CD2-CG2 3.79Å; L478-T480 HydrophobicContact CG-CG2 4.24Å; L478-M489 WeakPolarHBondContact O-CA 3.34Å; L478-W490 HydrophobicContact CB-CB 4.5Å; L478-W490 PolarHBondContact N-O 2.92Å; L478-W490 PolarHBondContact O-N 3.04Å; L478-L492 HydrophobicContact CB-CD1 4.41Å; L478-A766 HydrophobicContact CD1-CB 4.06Å; L478-A766 HydrophobicContact CD2-CB 4.31Å; L478-V776 HydrophobicContact CD2-CG2 4.28Å
479	I	98.3	Very high	96.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	136	161.9	-60.9	-176.1	0	0	0	108.4	L469 T470 L487 K488 M489 F512 V522 M524 C531	L469-I479 CarbonylContact C-O 3.59Å; L469-I479 VanDerWaalsContact CA-O 3.3Å; L469-I479 WeakPolarHBondContact CA-O 3.32Å; T470-I479 HydrophobicContact CG2-CB 4.13Å; T470-I479 PolarHBondContact N-O 2.7Å; T470-I479 PolarHBondContact O-N 2.66Å; I479-L487 HydrophobicContact CG2-CB 4.21Å; I479-L487 HydrophobicContact CG2-CD2 4.14Å; I479-K488 VanDerWaalsContact CA-O 3.32Å; I479-K488 WeakPolarHBondContact CA-O 3.36Å; I479-M489 HydrophobicContact CD1-CG 4.49Å; I479-M489 HydrophobicContact CD1-SD 4.29Å; I479-M489 HydrophobicContact CG1-CB 4.29Å; I479-M489 HydrophobicContact CG1-CG 3.97Å; I479-M489 HydrophobicContact CG1-SD 4.37Å; I479-F512 HydrophobicContact CD1-CE2 4.02Å; I479-F512 HydrophobicContact CD1-CZ 4.05Å; I479-F512 HydrophobicContact CG2-CE2 4.34Å; I479-V522 HydrophobicContact CG2-CG2 4.06Å; I479-M524 HydrophobicContact CD1-CE 3.35Å; I479-M524 HydrophobicContact CG1-CE 3.92Å; I479-C531 HydrophobicContact CD1-CB 4.26Å
480	T	98.6	Very high	96.6	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	142.4	175.6	54.6	0	0	0	0	110.1	H462 I466 L469 L478 L487 K488 W490 A774	H462-T480 PolarHBondContact CD2-OG1 3.36Å; H462-T480 PolarHBondContact NE2-OG1 2.83Å; I466-T480 HydrophobicContact CG2-CG2 4.28Å; L469-T480 HydrophobicContact CB-CG2 4.12Å; L478-T480 HydrophobicContact CD2-CG2 3.79Å; L478-T480 HydrophobicContact CG-CG2 4.24Å; T480-L487 CarbonylContact O-C 3.59Å; T480-L487 WeakPolarHBondContact O-CA 3.31Å; T480-L487 WeakPolarHBondContact O-CB 3.21Å; T480-K488 PolarHBondContact N-O 2.78Å; T480-K488 PolarHBondContact O-N 3.47Å; T480-W490 PolarHBondContact OG1-NE1 2.99Å; T480-A774 HydrophobicContact CG2-CB 3.76Å
481	A	98.4	Very high	96.4	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	137.4	178.3	0	0	0	0	0	110.5	I466 R467 A468 L487 V519 V522	I466-A481 CarbonylContact C-O 3.49Å; I466-A481 WeakPolarHBondContact CA-O 3.33Å; I466-A481 WeakPolarHBondContact CG2-O 3.27Å; R467-A481 PolarHBondContact N-O 2.9Å; A468-A481 HydrophobicContact CB-CB 4.4Å; A468-A481 PolarHBondContact O-N 3.36Å; A481-L487 HydrophobicContact CB-CD2 3.78Å; A481-L487 HydrophobicContact CB-CG 4.02Å; A481-V519 HydrophobicContact CB-CB 4.03Å; A481-V519 HydrophobicContact CB-CG1 3.73Å; A481-V522 HydrophobicContact CB-CB 4Å; A481-V522 HydrophobicContact CB-CG1 3.88Å
482	S	98.5	Very high	96.1	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	159.7	-168.1	177.8	0	0	0	0	114.4	H462 D464 G465 D484 H485 T486 V519	H462-S482 WeakPolarHBondContact CE1-CB 3.35Å; H462-S482 WeakPolarHBondContact ND1-CB 3.13Å; H462-S482 PolarHBondContact ND1-OG 2.97Å; D464-S482 PolarHBondContact O-OG 2.91Å; D464-S482 VanDerWaalsContact O-OG 3.13Å; G465-S482 CarbonylContact O-C 3.56Å; G465-S482 WeakPolarHBondContact O-CA 3.27Å; G465-S482 VanDerWaalsContact O-CB 3.31Å; G465-S482 WeakPolarHBondContact O-CB 3.33Å; G465-S482 PolarHBondContact O-OG 3.22Å; S482-D484 WeakPolarHBondContact CB-OD1 3.19Å; S482-D484 PolarHBondContact O-N 2.68Å; S482-D484 PolarHBondContact OG-N 2.93Å; S482-D484 VanDerWaalsContact OG-N 3.13Å; S482-H485 PolarHBondContact O-N 3.09Å; S482-T486 PolarHBondContact N-O 3.31Å; S482-V519 PolarHBondContact O-N 2.78Å
483	E	97.9	Very high	95.7	Very high	45 Å²	45	25.9 Å²	25.9	21%	0.21	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-12.5	168.3	-55.1	-178.5	138.4	0	0	112.9	D464 G465 R467 H485 A518	D464-E483 HydrophobicContact CB-CB 4.14Å; G465-E483 PolarHBondContact O-N 2.99Å; R467-E483 WeakPolarHBondContact CD-OE1 3.2Å; R467-E483 HydrophobicContact CG-CG 3.61Å; R467-E483 IonicContact CZ-OE1 3.19Å; R467-E483 IonicContact NE-OE1 3.04Å; R467-E483 IonicContact NH1-OE1 2.88Å; R467-E483 PolarHBondContact NH1-OE1 2.95Å; E483-H485 PolarHBondContact O-CD2 2.9Å; E483-H485 PolarHBondContact O-N 3.1Å; E483-A518 HydrophobicContact CB-CB 4.05Å; E483-A518 HydrophobicContact CG-CB 4.07Å
484	D	97.6	Very high	95	Very high	29 Å²	29	28.7 Å²	28.7	16%	0.155	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	14.5	169.7	78	6.8	0	0	0	114.9	H462 F463 S482 T486	H462-D484 WeakPolarHBondContact CA-OD2 3.44Å; H462-D484 IonicContact CE1-OD1 3.68Å; H462-D484 IonicContact CG-OD2 2.74Å; H462-D484 VanDerWaalsContact ND1-CG 3.29Å; H462-D484 IonicContact ND1-OD1 3.14Å; H462-D484 PolarHBondContact ND1-OD1 3.43Å; H462-D484 VanDerWaalsContact ND1-OD1 3.08Å; H462-D484 IonicContact ND1-OD2 2.82Å; H462-D484 PolarHBondContact ND1-OD2 2.83Å; F463-D484 HydrophobicContact CB-CB 4.05Å; F463-D484 PolarHBondContact N-OD2 3.44Å; S482-D484 WeakPolarHBondContact CB-OD1 3.19Å; S482-D484 PolarHBondContact O-N 2.68Å; S482-D484 PolarHBondContact OG-N 2.93Å; S482-D484 VanDerWaalsContact OG-N 3.13Å; D484-T486 PolarHBondContact O-N 3.48Å; D484-T486 VanDerWaalsContact O-N 3.14Å; D484-T486 WeakPolarHBondContact OD1-CB 3.07Å; D484-T486 PolarHBondContact OD1-N 3.03Å; D484-T486 PolarHBondContact OD1-OG1 2.88Å
485	H	97.7	Very high	94	Very high	86 Å²	86	26.5 Å²	26.5	40%	0.398	13%	0.13	S	C	.	.	S	Bend	trans	62.9	7.2	-177.4	-51.3	-178.9	0	0	0	114.5	S482 E483 R516 G517 A518	S482-H485 PolarHBondContact O-N 3.09Å; E483-H485 PolarHBondContact O-CD2 2.9Å; E483-H485 PolarHBondContact O-N 3.1Å; H485-R516 PolarHBondContact CE1-O 3.35Å; H485-R516 PolarHBondContact ND1-O 3.27Å; H485-G517 PolarHBondContact CD2-O 2.8Å; H485-G517 WeakPolarHBondContact NE2-CA 3.07Å; H485-A518 PolarHBondContact CD2-N 3.04Å; H485-A518 VanDerWaalsContact CD2-N 3.32Å
486	T	97.9	Very high	92.5	Very high	15 Å²	15	24.7 Å²	24.7	9%	0.092	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	159.3	-179.9	78.3	0	0	0	0	113.2	H462 S482 D484 T511 R513	H462-T486 PolarHBondContact CE1-OG1 2.7Å; S482-T486 PolarHBondContact N-O 3.31Å; D484-T486 PolarHBondContact O-N 3.48Å; D484-T486 VanDerWaalsContact O-N 3.14Å; D484-T486 WeakPolarHBondContact OD1-CB 3.07Å; D484-T486 PolarHBondContact OD1-N 3.03Å; D484-T486 PolarHBondContact OD1-OG1 2.88Å; T486-T511 HydrophobicContact CG2-CG2 4Å; T486-R513 HydrophobicContact CG2-CG 4.06Å
487	L	98.2	Very high	90.6	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.01	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	148.3	157.8	-54.5	92.8	0	0	0	109.5	I479 T480 A481 T511 F512 V519 V522 W543	I479-L487 HydrophobicContact CG2-CB 4.21Å; I479-L487 HydrophobicContact CG2-CD2 4.14Å; T480-L487 CarbonylContact O-C 3.59Å; T480-L487 WeakPolarHBondContact O-CA 3.31Å; T480-L487 WeakPolarHBondContact O-CB 3.21Å; A481-L487 HydrophobicContact CB-CD2 3.78Å; A481-L487 HydrophobicContact CB-CG 4.02Å; L487-T511 CarbonylContact O-C 3.44Å; L487-T511 VanDerWaalsContact O-CA 3.28Å; L487-T511 WeakPolarHBondContact O-CA 3.34Å; L487-F512 HydrophobicContact CB-CB 4.1Å; L487-F512 HydrophobicContact CB-CD2 3.75Å; L487-F512 HydrophobicContact CB-CG 4.32Å; L487-F512 HydrophobicContact CD1-CB 4.23Å; L487-F512 PolarHBondContact N-O 3.43Å; L487-F512 PolarHBondContact O-N 3.24Å; L487-V519 HydrophobicContact CD1-CG1 3.98Å; L487-V519 HydrophobicContact CD1-CG2 4.11Å; L487-V519 HydrophobicContact CD2-CG1 4.22Å; L487-V519 HydrophobicContact CG-CG1 4.06Å; L487-V522 HydrophobicContact CD2-CB 3.83Å; L487-V522 HydrophobicContact CD2-CG2 3.54Å; L487-W543 HydrophobicContact CD1-CZ2 4.35Å
488	K	97.2	Very high	88.5	Confident	7 Å²	7	32.3 Å²	32.3	3%	0.03	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	138	178.6	-65.6	175.2	-161.3	-101.7	0	110.9	S461 H462 I479 T480 W490 P508 Y510 T511	S461-K488 VanDerWaalsContact O-CE 3.28Å; S461-K488 WeakPolarHBondContact O-CE 3.2Å; S461-K488 PolarHBondContact O-NZ 2.99Å; S461-K488 PolarHBondContact OG-NZ 2.89Å; H462-K488 VanDerWaalsContact CE1-CE 3.43Å; H462-K488 WeakPolarHBondContact CE1-CE 3.43Å; H462-K488 WeakPolarHBondContact ND1-CE 3.48Å; I479-K488 VanDerWaalsContact CA-O 3.32Å; I479-K488 WeakPolarHBondContact CA-O 3.36Å; T480-K488 PolarHBondContact N-O 2.78Å; T480-K488 PolarHBondContact O-N 3.47Å; K488-W490 HydrophobicContact CB-CZ2 4.02Å; K488-W490 HydrophobicContact CD-CH2 4.45Å; K488-W490 HydrophobicContact CD-CZ2 3.98Å; K488-W490 PolarHBondContact O-NE1 2.94Å; K488-P508 HydrophobicContact CB-CB 4.01Å; K488-P508 HydrophobicContact CD-CB 4.34Å; K488-P508 HydrophobicContact CD-CG 4.4Å; K488-P508 HydrophobicContact CG-CB 4.37Å; K488-Y510 WeakPolarHBondContact CA-O 3.49Å; K488-T511 HydrophobicContact CG-CG2 4.07Å
489	M	96.5	Very high	86.3	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	133.6	175.1	-165.8	162.9	80.6	0	0	110.2	V477 L478 I479 P508 I509 Y510 F512 T545 P546	V477-M489 HydrophobicContact CG1-CG 3.45Å; V477-M489 VanDerWaalsContact CG1-CG 3.45Å; V477-M489 HydrophobicContact CG1-SD 3.92Å; L478-M489 WeakPolarHBondContact O-CA 3.34Å; I479-M489 HydrophobicContact CD1-CG 4.49Å; I479-M489 HydrophobicContact CD1-SD 4.29Å; I479-M489 HydrophobicContact CG1-CB 4.29Å; I479-M489 HydrophobicContact CG1-CG 3.97Å; I479-M489 HydrophobicContact CG1-SD 4.37Å; M489-P508 CarbonylContact O-C 3.42Å; M489-P508 VanDerWaalsContact O-CA 3.29Å; M489-P508 WeakPolarHBondContact O-CA 3.2Å; M489-I509 HydrophobicContact CB-CG1 4.26Å; M489-I509 HydrophobicContact CE-CD1 3.5Å; M489-I509 HydrophobicContact CE-CG1 4.09Å; M489-I509 HydrophobicContact CG-CD1 4.3Å; M489-I509 HydrophobicContact CG-CG1 4.26Å; M489-I509 VanDerWaalsContact O-CG1 3.31Å; M489-I509 WeakPolarHBondContact O-CG1 3.23Å; M489-I509 PolarHBondContact O-N 2.93Å; M489-Y510 PolarHBondContact N-O 2.92Å; M489-F512 HydrophobicContact CB-CE2 4.01Å; M489-F512 HydrophobicContact SD-CZ 4.39Å; M489-T545 HydrophobicContact SD-CG2 3.88Å; M489-P546 HydrophobicContact CE-CB 3.97Å; M489-P546 HydrophobicContact CE-CG 4.24Å; M489-P546 VanDerWaalsContact CE-O 3.3Å; M489-P546 WeakPolarHBondContact CE-O 3.31Å
490	W	95.5	Very high	84	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	126.1	-173.6	-46.8	83.2	0	0	0	109.9	L459 S461 V477 L478 T480 K488 L492 V506 P508	L459-W490 HydrophobicContact CB-CD2 4.13Å; L459-W490 HydrophobicContact CB-CE3 3.95Å; L459-W490 HydrophobicContact CB-CH2 3.77Å; L459-W490 HydrophobicContact CB-CZ2 3.99Å; L459-W490 HydrophobicContact CB-CZ3 3.77Å; L459-W490 HydrophobicContact CD1-CB 4.24Å; L459-W490 HydrophobicContact CD1-CD2 3.88Å; L459-W490 HydrophobicContact CD1-CE3 4.32Å; L459-W490 HydrophobicContact CD1-CG 3.85Å; L459-W490 HydrophobicContact CD2-CD2 4.32Å; L459-W490 HydrophobicContact CD2-CE3 3.95Å; L459-W490 HydrophobicContact CD2-CZ3 4.41Å; L459-W490 HydrophobicContact CG-CD2 4.33Å; L459-W490 HydrophobicContact CG-CE3 4.29Å; S461-W490 VanDerWaalsContact CB-CH2 3.47Å; V477-W490 VanDerWaalsContact CA-O 3.32Å; V477-W490 WeakPolarHBondContact CA-O 3.15Å; L478-W490 HydrophobicContact CB-CB 4.5Å; L478-W490 PolarHBondContact N-O 2.92Å; L478-W490 PolarHBondContact O-N 3.04Å; T480-W490 PolarHBondContact OG1-NE1 2.99Å; K488-W490 HydrophobicContact CB-CZ2 4.02Å; K488-W490 HydrophobicContact CD-CH2 4.45Å; K488-W490 HydrophobicContact CD-CZ2 3.98Å; K488-W490 PolarHBondContact O-NE1 2.94Å; W490-L492 HydrophobicContact CB-CD2 4.46Å; W490-V506 HydrophobicContact CB-CG1 4.46Å; W490-V506 VanDerWaalsContact CZ3-O 3.24Å; W490-V506 WeakPolarHBondContact CZ3-O 3.45Å; W490-P508 HydrophobicContact CD2-CB 4.15Å; W490-P508 HydrophobicContact CE3-CB 3.95Å; W490-P508 HydrophobicContact CH2-CB 4.35Å; W490-P508 HydrophobicContact CH2-CG 4.47Å; W490-P508 HydrophobicContact CZ2-CB 4.49Å; W490-P508 HydrophobicContact CZ3-CB 4.06Å; W490-P508 HydrophobicContact CZ3-CG 4.23Å
491	N	93.3	Very high	81.5	Confident	5 Å²	5	54 Å²	54	3%	0.027	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	108.2	176	179.8	-32.8	0	0	0	109.7	Q493 K494 V506 I509 P548	N491-Q493 PolarHBondContact O-N 2.85Å; N491-Q493 VanDerWaalsContact O-N 3.17Å; N491-Q493 WeakPolarHBondContact OD1-CB 3.28Å; N491-Q493 PolarHBondContact OD1-N 2.93Å; N491-K494 HydrophobicContact CB-CB 4.15Å; N491-K494 HydrophobicContact CB-CD 4.26Å; N491-K494 HydrophobicContact CB-CG 4.31Å; N491-K494 PolarHBondContact O-N 2.8Å; N491-K494 VanDerWaalsContact O-N 3.15Å; N491-K494 PolarHBondContact OD1-N 3.46Å; N491-K494 VanDerWaalsContact OD1-N 3.13Å; N491-V506 WeakPolarHBondContact O-CG1 3.34Å; N491-I509 HydrophobicContact CB-CD1 3.86Å; N491-I509 HydrophobicContact CB-CG1 4.33Å; N491-I509 HydrophobicContact CB-CG2 4.1Å; N491-P548 PolarHBondContact ND2-O 2.89Å
492	L	92.3	Very high	79.1	Confident	3 Å²	3	61.5 Å²	61.5	2%	0.016	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	4.8	-172.5	-52.3	175.1	0	0	0	113.8	F457 L459 F471 P476 L478 W490 V776	F457-L492 HydrophobicContact CD2-CB 4.5Å; F457-L492 HydrophobicContact CD2-CD2 4.03Å; F457-L492 HydrophobicContact CE2-CB 4Å; F457-L492 HydrophobicContact CE2-CD2 4.35Å; L459-L492 HydrophobicContact CD2-CD2 4.42Å; F471-L492 HydrophobicContact CE1-CD1 3.86Å; P476-L492 HydrophobicContact CB-CB 4.44Å; P476-L492 VanDerWaalsContact O-CB 3.26Å; P476-L492 WeakPolarHBondContact O-CB 3.45Å; P476-L492 WeakPolarHBondContact O-CG 3.41Å; P476-L492 PolarHBondContact O-N 2.84Å; L478-L492 HydrophobicContact CB-CD1 4.41Å; W490-L492 HydrophobicContact CB-CD2 4.46Å; L492-V776 HydrophobicContact CD1-CG1 4.21Å; L492-V776 HydrophobicContact CD1-CG2 4.45Å; L492-V776 HydrophobicContact CD2-CG2 4.21Å
493	Q	87.8	Confident	77	Confident	141 Å²	141	62.8 Å²	62.8	66%	0.659	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-32.4	165.5	-72.5	171.9	-36.8	0	0	112.4	P476 N491 T495	P476-Q493 HydrophobicContact CB-CG 4.37Å; P476-Q493 HydrophobicContact CG-CG 3.6Å; N491-Q493 PolarHBondContact O-N 2.85Å; N491-Q493 VanDerWaalsContact O-N 3.17Å; N491-Q493 WeakPolarHBondContact OD1-CB 3.28Å; N491-Q493 PolarHBondContact OD1-N 2.93Å; Q493-T495 VanDerWaalsContact C-N 3.31Å; Q493-T495 PolarHBondContact O-N 2.93Å
494	K	78.7	Confident	75.1	Confident	82 Å²	82	64.5 Å²	64.5	36%	0.357	35%	0.346	S	S	.	.			trans	-80.5	68.9	178.5	-72	-177.1	173.5	-174.9	0	111.5	N491 I509 P548 N549 I550	N491-K494 HydrophobicContact CB-CB 4.15Å; N491-K494 HydrophobicContact CB-CD 4.26Å; N491-K494 HydrophobicContact CB-CG 4.31Å; N491-K494 PolarHBondContact O-N 2.8Å; N491-K494 VanDerWaalsContact O-N 3.15Å; N491-K494 PolarHBondContact OD1-N 3.46Å; N491-K494 VanDerWaalsContact OD1-N 3.13Å; K494-I509 HydrophobicContact CD-CG2 4.29Å; K494-P548 PolarHBondContact NZ-O 2.89Å; K494-N549 VanDerWaalsContact NZ-C 3.34Å; K494-N549 PolarHBondContact NZ-O 2.82Å; K494-I550 PolarHBondContact NZ-O 2.82Å
495	T	70.8	Confident	73.7	Confident	60 Å²	60	65.8 Å²	65.8	37%	0.368	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-74.9	131.6	172.6	57.4	0	0	0	0	111.5	F457 Q493 V506	F457-T495 HydrophobicContact CE1-CG2 3.46Å; F457-T495 VanDerWaalsContact CE1-CG2 3.46Å; F457-T495 HydrophobicContact CZ-CG2 3.72Å; Q493-T495 VanDerWaalsContact C-N 3.31Å; Q493-T495 PolarHBondContact O-N 2.93Å; T495-V506 HydrophobicContact CG2-CG2 4.06Å
496	A	61.3	Low	73.1	Confident	29 Å²	29	61.9 Å²	61.9	24%	0.24	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-69.2	144.7	173.6	0	0	0	0	0	110.9	A498 D505	A496-A498 PolarHBondContact O-N 2.96Å; A496-D505 VanDerWaalsContact CB-O 3.32Å; A496-D505 WeakPolarHBondContact CB-O 3.48Å; A496-D505 PolarHBondContact N-O 2.86Å; A496-D505 VanDerWaalsContact N-O 3.08Å
497	P	52.3	Low	72.7	Confident	118 Å²	118	66.9 Å²	66.9	77%	0.766	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-66.4	116.9	176.4	26.5	-33.2	0	0	0	110.2	K499	P497-K499 PolarHBondContact O-N 2.99Å
498	A	51.4	Low	72.4	Confident	55 Å²	55	68 Å²	68	46%	0.455	37%	0.365	S	S	.	.			trans	-56.4	107.2	-167.7	0	0	0	0	0	113.6	A496 K500	A496-A498 PolarHBondContact O-N 2.96Å; A498-K500 PolarHBondContact O-N 3.47Å
499	K	52	Low	72.2	Confident	187 Å²	187	68.1 Å²	68.1	81%	0.813	37%	0.366	S	S	*	.	S	Bend	trans	-76.7	69.8	177.4	-71.4	175.1	-177.5	161	0	111.3	P497 S501	P497-K499 PolarHBondContact O-N 2.99Å; K499-S501 PolarHBondContact O-N 2.97Å; K499-S501 VanDerWaalsContact O-N 3.07Å
500	K	49.6	Very low	72.1	Confident	218 Å²	218	69.8 Å²	69.8	95%	0.948	37%	0.372	S	S	*	.	S	Bend	trans	60.6	11.8	177.4	-53.6	-179.3	179.5	179.4	0	115.7	A498	A498-K500 PolarHBondContact O-N 3.47Å
501	S	45.9	Very low	72.1	Confident	51 Å²	51	71.1 Å²	71.1	36%	0.357	38%	0.381	S	S	.	.			trans	-90.4	154.3	166.2	-172.4	0	0	0	0	110.3	K499 S503	K499-S501 PolarHBondContact O-N 2.97Å; K499-S501 VanDerWaalsContact O-N 3.07Å; S501-S503 VanDerWaalsContact C-N 3.3Å; S501-S503 PolarHBondContact OG-N 3.07Å; S501-S503 PolarHBondContact OG-OG 2.83Å
502	T	48.1	Very low	72.2	Confident	158 Å²	158	71 Å²	71	97%	0.969	38%	0.38	S	S	*	.	S	Bend	trans	-85.2	-2	169.8	47.6	0	0	0	0	113.2
503	S	54.2	Low	72.3	Confident	27 Å²	27	78.8 Å²	78.8	19%	0.189	41%	0.409	C	S	.	.	S	Bend	trans	-86.1	135.4	167.8	49.1	0	0	0	0	111.6	S501 D505	S501-S503 VanDerWaalsContact C-N 3.3Å; S501-S503 PolarHBondContact OG-N 3.07Å; S501-S503 PolarHBondContact OG-OG 2.83Å; S503-D505 VanDerWaalsContact C-N 3.32Å; S503-D505 WeakPolarHBondContact CB-OD1 3.33Å; S503-D505 PolarHBondContact O-N 3.01Å; S503-D505 VanDerWaalsContact O-N 3.16Å; S503-D505 PolarHBondContact OG-OD1 2.87Å; S503-D505 PolarHBondContact OG-OD2 2.78Å
504	L	58.7	Low	72.6	Confident	80 Å²	80	73.7 Å²	73.7	42%	0.419	39%	0.391	S	S	.	.			trans	-76	91.3	156.7	-72.6	175.6	0	0	0	107.4	F457 V506	F457-L504 HydrophobicContact CD1-CB 4Å; F457-L504 HydrophobicContact CE1-CB 4.02Å; F457-L504 HydrophobicContact CE1-CD1 4.09Å; L504-V506 PolarHBondContact O-N 2.95Å
505	D	67.9	Low	73.5	Confident	57 Å²	57	70.4 Å²	70.4	31%	0.305	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-71.5	118.8	176.6	-59.6	-34.8	0	0	0	108.8	A496 S503	A496-D505 VanDerWaalsContact CB-O 3.32Å; A496-D505 WeakPolarHBondContact CB-O 3.48Å; A496-D505 PolarHBondContact N-O 2.86Å; A496-D505 VanDerWaalsContact N-O 3.08Å; S503-D505 VanDerWaalsContact C-N 3.32Å; S503-D505 WeakPolarHBondContact CB-OD1 3.33Å; S503-D505 PolarHBondContact O-N 3.01Å; S503-D505 VanDerWaalsContact O-N 3.16Å; S503-D505 PolarHBondContact OG-OD1 2.87Å; S503-D505 PolarHBondContact OG-OD2 2.78Å
506	V	86.4	Confident	74.7	Confident	4 Å²	4	77.2 Å²	77.2	2%	0.024	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-101.3	117.6	168.6	176.1	0	0	0	0	106	F457 L459 W490 N491 T495 L504	F457-V506 HydrophobicContact CD1-CG2 3.81Å; F457-V506 HydrophobicContact CE1-CG2 3.93Å; F457-V506 HydrophobicContact CG-CG2 4.17Å; F457-V506 HydrophobicContact CZ-CG2 4.35Å; L459-V506 HydrophobicContact CD2-CB 3.76Å; L459-V506 HydrophobicContact CD2-CG1 4.27Å; L459-V506 HydrophobicContact CD2-CG2 4.41Å; W490-V506 HydrophobicContact CB-CG1 4.46Å; W490-V506 VanDerWaalsContact CZ3-O 3.24Å; W490-V506 WeakPolarHBondContact CZ3-O 3.45Å; N491-V506 WeakPolarHBondContact O-CG1 3.34Å; T495-V506 HydrophobicContact CG2-CG2 4.06Å; L504-V506 PolarHBondContact O-N 2.95Å
507	E	88.4	Confident	76.3	Confident	119 Å²	119	76.4 Å²	76.4	56%	0.556	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-80.5	148.9	176.1	-67.2	176.8	173.8	0	0	109.8	I509	E507-I509 PolarHBondContact O-N 2.81Å
508	P	92.4	Very high	78.5	Confident	26 Å²	26	71.5 Å²	71.5	17%	0.169	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	129.4	176.1	31.4	-34.7	0	0	0	109.7	K488 M489 W490	K488-P508 HydrophobicContact CB-CB 4.01Å; K488-P508 HydrophobicContact CD-CB 4.34Å; K488-P508 HydrophobicContact CD-CG 4.4Å; K488-P508 HydrophobicContact CG-CB 4.37Å; M489-P508 CarbonylContact O-C 3.42Å; M489-P508 VanDerWaalsContact O-CA 3.29Å; M489-P508 WeakPolarHBondContact O-CA 3.2Å; W490-P508 HydrophobicContact CD2-CB 4.15Å; W490-P508 HydrophobicContact CE3-CB 3.95Å; W490-P508 HydrophobicContact CH2-CB 4.35Å; W490-P508 HydrophobicContact CH2-CG 4.47Å; W490-P508 HydrophobicContact CZ2-CB 4.49Å; W490-P508 HydrophobicContact CZ3-CB 4.06Å; W490-P508 HydrophobicContact CZ3-CG 4.23Å
509	I	92.3	Very high	80.8	Confident	9 Å²	9	68.9 Å²	68.9	5%	0.046	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	-16.2	-179.9	55.5	158.1	0	0	0	113.2	M489 N491 K494 E507 P548 I550	M489-I509 HydrophobicContact CB-CG1 4.26Å; M489-I509 HydrophobicContact CE-CD1 3.5Å; M489-I509 HydrophobicContact CE-CG1 4.09Å; M489-I509 HydrophobicContact CG-CD1 4.3Å; M489-I509 HydrophobicContact CG-CG1 4.26Å; M489-I509 VanDerWaalsContact O-CG1 3.31Å; M489-I509 WeakPolarHBondContact O-CG1 3.23Å; M489-I509 PolarHBondContact O-N 2.93Å; N491-I509 HydrophobicContact CB-CD1 3.86Å; N491-I509 HydrophobicContact CB-CG1 4.33Å; N491-I509 HydrophobicContact CB-CG2 4.1Å; K494-I509 HydrophobicContact CD-CG2 4.29Å; E507-I509 PolarHBondContact O-N 2.81Å; I509-P548 HydrophobicContact CD1-CB 4.38Å; I509-P548 WeakPolarHBondContact CD1-O 3.36Å; I509-I550 HydrophobicContact CB-CG2 4.43Å; I509-I550 HydrophobicContact CD1-CG2 4.43Å
510	Y	94.1	Very high	83	Confident	36 Å²	36	60.5 Å²	60.5	14%	0.141	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	155.2	173	-161.7	-100.2	0	0	0	110.7	K488 M489 F512 P546 I550 V560	K488-Y510 WeakPolarHBondContact CA-O 3.49Å; M489-Y510 PolarHBondContact N-O 2.92Å; Y510-F512 AromaticContact CD1-CD1 3.78Å; Y510-F512 HydrophobicContact CD1-CD1 3.78Å; Y510-F512 HydrophobicContact CD1-CD2 4.02Å; Y510-F512 AromaticContact CD1-CE1 3.81Å; Y510-F512 HydrophobicContact CD1-CE1 3.81Å; Y510-F512 HydrophobicContact CD1-CE2 4.07Å; Y510-F512 AromaticContact CD1-CG 3.9Å; Y510-F512 HydrophobicContact CD1-CG 3.9Å; Y510-F512 AromaticContact CD1-CZ 3.97Å; Y510-F512 HydrophobicContact CD1-CZ 3.97Å; Y510-F512 AromaticContact CE1-CD1 3.63Å; Y510-F512 HydrophobicContact CE1-CD1 3.63Å; Y510-F512 AromaticContact CE1-CE1 3.94Å; Y510-F512 HydrophobicContact CE1-CE1 3.94Å; Y510-F512 AromaticContact CE1-CG 4Å; Y510-F512 HydrophobicContact CE1-CG 4Å; Y510-P546 HydrophobicContact CD1-CG 3.88Å; Y510-P546 HydrophobicContact CD2-CB 4.48Å; Y510-P546 HydrophobicContact CD2-CG 4.13Å; Y510-P546 HydrophobicContact CE1-CG 4.14Å; Y510-P546 HydrophobicContact CE2-CG 4.35Å; Y510-P546 HydrophobicContact CG-CG 3.88Å; Y510-I550 HydrophobicContact CD2-CD1 4.21Å; Y510-I550 HydrophobicContact CE2-CD1 4.45Å; Y510-V560 HydrophobicContact CE1-CG1 3.77Å
511	T	95.2	Very high	85.3	Confident	28 Å²	28	50.4 Å²	50.4	17%	0.172	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	108.7	172.5	-57.8	0	0	0	0	110.2	T486 L487 K488 R513	T486-T511 HydrophobicContact CG2-CG2 4Å; L487-T511 CarbonylContact O-C 3.44Å; L487-T511 VanDerWaalsContact O-CA 3.28Å; L487-T511 WeakPolarHBondContact O-CA 3.34Å; K488-T511 HydrophobicContact CG-CG2 4.07Å; T511-R513 HydrophobicContact CG2-CG 4.39Å; T511-R513 PolarHBondContact O-NH1 3.11Å
512	F	96.2	Very high	87.8	Confident	2 Å²	2	48.6 Å²	48.6	1%	0.009	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	138.5	177.9	-50.4	-94.9	0	0	0	110.3	I479 L487 M489 Y510 W543 P546 V560	I479-F512 HydrophobicContact CD1-CE2 4.02Å; I479-F512 HydrophobicContact CD1-CZ 4.05Å; I479-F512 HydrophobicContact CG2-CE2 4.34Å; L487-F512 HydrophobicContact CB-CB 4.1Å; L487-F512 HydrophobicContact CB-CD2 3.75Å; L487-F512 HydrophobicContact CB-CG 4.32Å; L487-F512 HydrophobicContact CD1-CB 4.23Å; L487-F512 PolarHBondContact N-O 3.43Å; L487-F512 PolarHBondContact O-N 3.24Å; M489-F512 HydrophobicContact CB-CE2 4.01Å; M489-F512 HydrophobicContact SD-CZ 4.39Å; Y510-F512 AromaticContact CD1-CD1 3.78Å; Y510-F512 HydrophobicContact CD1-CD1 3.78Å; Y510-F512 HydrophobicContact CD1-CD2 4.02Å; Y510-F512 AromaticContact CD1-CE1 3.81Å; Y510-F512 HydrophobicContact CD1-CE1 3.81Å; Y510-F512 HydrophobicContact CD1-CE2 4.07Å; Y510-F512 AromaticContact CD1-CG 3.9Å; Y510-F512 HydrophobicContact CD1-CG 3.9Å; Y510-F512 AromaticContact CD1-CZ 3.97Å; Y510-F512 HydrophobicContact CD1-CZ 3.97Å; Y510-F512 AromaticContact CE1-CD1 3.63Å; Y510-F512 HydrophobicContact CE1-CD1 3.63Å; Y510-F512 AromaticContact CE1-CE1 3.94Å; Y510-F512 HydrophobicContact CE1-CE1 3.94Å; Y510-F512 AromaticContact CE1-CG 4Å; Y510-F512 HydrophobicContact CE1-CG 4Å; F512-W543 HydrophobicContact CB-CD2 4.38Å; F512-W543 HydrophobicContact CB-CE3 4.24Å; F512-W543 HydrophobicContact CB-CH2 3.78Å; F512-W543 HydrophobicContact CB-CZ2 3.95Å; F512-W543 HydrophobicContact CB-CZ3 3.93Å; F512-W543 HydrophobicContact CD1-CB 4.46Å; F512-W543 AromaticContact CD1-CD2 3.8Å; F512-W543 HydrophobicContact CD1-CD2 3.8Å; F512-W543 AromaticContact CD1-CE3 3.61Å; F512-W543 HydrophobicContact CD1-CE3 3.61Å; F512-W543 HydrophobicContact CD1-CG 4.21Å; F512-W543 HydrophobicContact CD1-CZ3 4.06Å; F512-W543 HydrophobicContact CE1-CB 4.32Å; F512-W543 HydrophobicContact CE1-CE3 4.45Å; F512-W543 HydrophobicContact CE1-CG 4.5Å; F512-W543 HydrophobicContact CG-CD2 4.42Å; F512-W543 HydrophobicContact CG-CE3 4.37Å; F512-P546 HydrophobicContact CE1-CG 4.07Å; F512-P546 HydrophobicContact CZ-CG 4.22Å; F512-V560 HydrophobicContact CD1-CG1 3.88Å; F512-V560 HydrophobicContact CE1-CG1 3.81Å
513	R	95.3	Very high	90.1	Very high	168 Å²	168	42 Å²	42	63%	0.634	21%	0.205	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-144.2	117.9	-179.3	-62.4	-176.8	179.9	84.6	-7.4	109.8	T486 T511	T486-R513 HydrophobicContact CG2-CG 4.06Å; T511-R513 HydrophobicContact CG2-CG 4.39Å; T511-R513 PolarHBondContact O-NH1 3.11Å
514	A	94.3	Very high	92.1	Very high	33 Å²	33	41.4 Å²	41.4	27%	0.273	20%	0.199	S	C	.	.			trans	-162	-37.8	174.6	0	0	0	0	0	111.7	Q541 W543 L561	A514-Q541 HydrophobicContact CB-CG 4.03Å; A514-W543 HydrophobicContact CB-CH2 3.42Å; A514-W543 VanDerWaalsContact CB-CH2 3.42Å; A514-W543 HydrophobicContact CB-CZ2 3.83Å; A514-W543 HydrophobicContact CB-CZ3 4.39Å; A514-L561 HydrophobicContact CB-CD1 4.29Å; A514-L561 HydrophobicContact CB-CD2 4.04Å
515	H	96.9	Very high	93.9	Very high	13 Å²	13	37.7 Å²	37.7	6%	0.06	18%	0.18	C	C	.	.			trans	-57	147.9	174.3	-75.2	-70.7	0	0	0	112.5	V519 S533 G535 D537 T539	H515-V519 HydrophobicContact CB-CG2 4Å; H515-S533 PolarHBondContact CD2-OG 2.92Å; H515-S533 PolarHBondContact CE1-O 3.02Å; H515-S533 PolarHBondContact NE2-O 3.33Å; H515-S533 PolarHBondContact NE2-OG 2.88Å; H515-G535 PolarHBondContact CE1-N 3.19Å; H515-D537 WeakPolarHBondContact CA-OD2 2.94Å; H515-D537 WeakPolarHBondContact CB-OD2 3.46Å; H515-D537 IonicContact CE1-OD1 3.74Å; H515-D537 IonicContact CG-OD2 2.79Å; H515-D537 IonicContact ND1-OD1 3.86Å; H515-D537 PolarHBondContact ND1-OD1 3.35Å; H515-D537 IonicContact ND1-OD2 3.91Å; H515-D537 PolarHBondContact ND1-OD2 3.24Å; H515-T539 PolarHBondContact ND1-OG1 3.14Å
516	R	95.3	Very high	95	Very high	204 Å²	204	37.7 Å²	37.7	77%	0.77	19%	0.185	S	C	*	.	S	Bend	trans	-101.9	-11	-179.1	-55.6	-176.3	-173.1	-175.6	5	113	H485 D537	H485-R516 PolarHBondContact CE1-O 3.35Å; H485-R516 PolarHBondContact ND1-O 3.27Å; R516-D537 HydrophobicContact CB-CB 4.23Å; R516-D537 PolarHBondContact N-OD2 2.98Å
517	G	96.3	Very high	95.3	Very high	11 Å²	11	40.8 Å²	40.8	11%	0.113	20%	0.204	C	C	.	.	S	Bend	trans	-137.5	-172.4	176.1	0	0	0	0	0	111.3	H485 V519	H485-G517 PolarHBondContact CD2-O 2.8Å; H485-G517 WeakPolarHBondContact NE2-CA 3.07Å; G517-V519 PolarHBondContact O-N 3.45Å
518	A	97.9	Very high	95.5	Very high	16 Å²	16	35.1 Å²	35.1	13%	0.132	18%	0.177	C	C	.	.			trans	-53.4	136.7	177.1	0	0	0	0	0	112.2	E483 H485 G535 V536	E483-A518 HydrophobicContact CB-CB 4.05Å; E483-A518 HydrophobicContact CG-CB 4.07Å; H485-A518 PolarHBondContact CD2-N 3.04Å; H485-A518 VanDerWaalsContact CD2-N 3.32Å; A518-G535 CarbonylContact O-C 3.58Å; A518-G535 VanDerWaalsContact O-CA 3.27Å; A518-G535 WeakPolarHBondContact O-CA 2.96Å; A518-V536 HydrophobicContact CB-CG2 3.88Å; A518-V536 PolarHBondContact O-N 2.72Å
519	V	98.5	Very high	95.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	112.1	175.1	-164.7	0	0	0	0	108.3	A481 S482 L487 H515 G517	A481-V519 HydrophobicContact CB-CB 4.03Å; A481-V519 HydrophobicContact CB-CG1 3.73Å; S482-V519 PolarHBondContact O-N 2.78Å; L487-V519 HydrophobicContact CD1-CG1 3.98Å; L487-V519 HydrophobicContact CD1-CG2 4.11Å; L487-V519 HydrophobicContact CD2-CG1 4.22Å; L487-V519 HydrophobicContact CG-CG1 4.06Å; H515-V519 HydrophobicContact CB-CG2 4Å; G517-V519 PolarHBondContact O-N 3.45Å
520	L	98.1	Very high	95.8	Very high	11 Å²	11	41.1 Å²	41.1	6%	0.058	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-34.2	-169.7	-63	168	0	0	0	112.2	G534 V536 V572 W573	L520-G534 PolarHBondContact N-O 3.17Å; L520-V536 HydrophobicContact CD1-CG2 3.75Å; L520-V536 HydrophobicContact CD2-CG2 3.99Å; L520-V536 HydrophobicContact CG-CG2 3.94Å; L520-V572 WeakPolarHBondContact CB-O 3.29Å; L520-W573 HydrophobicContact CD1-CD2 4.32Å; L520-W573 HydrophobicContact CD1-CE3 3.55Å; L520-W573 HydrophobicContact CD1-CH2 4.45Å; L520-W573 HydrophobicContact CD1-CZ3 3.62Å; L520-W573 HydrophobicContact CD2-CE3 4.07Å; L520-W573 HydrophobicContact CD2-CZ3 3.81Å; L520-W573 HydrophobicContact CG-CE3 4.3Å; L520-W573 HydrophobicContact CG-CZ3 4.34Å
521	S	97.9	Very high	95.9	Very high	6 Å²	6	39.4 Å²	39.4	4%	0.042	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	147.1	-172	52.5	0	0	0	0	112.1	S533 G534 V572	S521-S533 CarbonylContact O-C 3.5Å; S521-S533 VanDerWaalsContact O-CA 3.28Å; S521-S533 WeakPolarHBondContact O-CA 3.29Å; S521-G534 PolarHBondContact N-O 2.82Å; S521-G534 PolarHBondContact O-N 3.45Å; S521-G534 WeakPolarHBondContact OG-CA 3.27Å; S521-V572 PolarHBondContact OG-O 2.71Å
522	V	98.4	Very high	96.1	Very high	12 Å²	12	38.1 Å²	38.1	7%	0.073	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	139.1	171.8	63.9	0	0	0	0	110.6	A468 T470 I479 A481 L487 F532	A468-V522 HydrophobicContact CB-CG1 3.98Å; T470-V522 HydrophobicContact CG2-CG1 4.1Å; T470-V522 HydrophobicContact CG2-CG2 3.97Å; I479-V522 HydrophobicContact CG2-CG2 4.06Å; A481-V522 HydrophobicContact CB-CB 4Å; A481-V522 HydrophobicContact CB-CG1 3.88Å; L487-V522 HydrophobicContact CD2-CB 3.83Å; L487-V522 HydrophobicContact CD2-CG2 3.54Å; V522-F532 WeakPolarHBondContact CA-O 3.39Å
523	V	97.8	Very high	96.2	Very high	21 Å²	21	38 Å²	38	13%	0.127	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	147.6	174.3	69.2	0	0	0	0	110.6	C531 F532 L575 L584	V523-C531 CarbonylContact O-C 3.57Å; V523-C531 WeakPolarHBondContact O-CA 3.43Å; V523-C531 WeakPolarHBondContact O-CB 3.42Å; V523-F532 HydrophobicContact CG1-CB 4.13Å; V523-F532 HydrophobicContact CG1-CD2 4.43Å; V523-F532 PolarHBondContact N-O 3.19Å; V523-F532 PolarHBondContact O-N 2.59Å; V523-L575 HydrophobicContact CB-CB 4.31Å; V523-L575 HydrophobicContact CG1-CB 3.74Å; V523-L584 HydrophobicContact CG1-CD1 3.63Å
524	M	96.1	Very high	96.3	Very high	13 Å²	13	30 Å²	30	6%	0.064	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	147.1	176.9	-163.7	172.4	-75.3	0	0	111.5	T470 H472 I479 Q530 C531 T545	T470-M524 HydrophobicContact CG2-CB 4.09Å; H472-M524 VanDerWaalsContact CA-SD 3.54Å; H472-M524 HydrophobicContact CB-CE 4.37Å; H472-M524 HydrophobicContact CB-SD 3.85Å; I479-M524 HydrophobicContact CD1-CE 3.35Å; I479-M524 HydrophobicContact CG1-CE 3.92Å; M524-Q530 VanDerWaalsContact CG-O 3.3Å; M524-Q530 WeakPolarHBondContact CG-O 3.4Å; M524-C531 HydrophobicContact CB-CB 4.37Å; M524-C531 HydrophobicContact CE-CB 4.33Å; M524-C531 HydrophobicContact CG-CB 4.21Å; M524-T545 HydrophobicContact CE-CG2 4.28Å
525	S	95.6	Very high	96.5	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.014	14%	0.144	C	C	.	.			trans	-61.4	156	168.7	58.3	0	0	0	0	112.2	T527 G528 Q530	S525-T527 VanDerWaalsContact C-N 3.26Å; S525-T527 PolarHBondContact O-N 3.22Å; S525-G528 PolarHBondContact O-N 3.02Å; S525-G528 PolarHBondContact OG-N 3Å; S525-Q530 WeakPolarHBondContact CB-O 3.46Å; S525-Q530 PolarHBondContact N-O 3.01Å; S525-Q530 PolarHBondContact OG-N 3.01Å; S525-Q530 PolarHBondContact OG-O 2.86Å
526	S	91.9	Very high	96.5	Very high	58 Å²	58	30.9 Å²	30.9	41%	0.406	16%	0.16	S	C	.	.	S	Bend	trans	-69.9	-16.9	-179.6	54.1	0	0	0	0	114.7	P473 Y577 S579	P473-S526 WeakPolarHBondContact CG-O 3.36Å; S526-Y577 VanDerWaalsContact N-CE1 3.33Å; S526-S579 VanDerWaalsContact OG-CB 3.3Å; S526-S579 WeakPolarHBondContact OG-CB 3.35Å
527	T	92.1	Very high	96.5	Very high	68 Å²	68	23.3 Å²	23.3	42%	0.417	14%	0.135	S	C	.	.	S	Bend	trans	-81.6	-28.8	168.7	62.1	0	0	0	0	111.8	S525 E529	S525-T527 VanDerWaalsContact C-N 3.26Å; S525-T527 PolarHBondContact O-N 3.22Å; T527-E529 VanDerWaalsContact C-N 3.34Å; T527-E529 WeakPolarHBondContact CB-OE2 3.39Å; T527-E529 WeakPolarHBondContact OG1-CG 3.34Å; T527-E529 PolarHBondContact OG1-N 2.73Å; T527-E529 PolarHBondContact OG1-OE2 2.87Å
528	G	93.6	Very high	96.5	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	91.4	-11.1	-173	0	0	0	0	0	114.2	S525 Q530 T545	S525-G528 PolarHBondContact O-N 3.02Å; S525-G528 PolarHBondContact OG-N 3Å; G528-Q530 PolarHBondContact O-N 3.33Å; G528-T545 WeakPolarHBondContact O-CB 3.47Å; G528-T545 PolarHBondContact O-OG1 2.99Å
529	E	94.3	Very high	96.4	Very high	126 Å²	126	23 Å²	23	59%	0.589	13%	0.13	S	C	*	.	S	Bend	trans	-70.5	-17.3	-175.1	-60.7	164.2	130.6	0	0	113.7	T527 T545	T527-E529 VanDerWaalsContact C-N 3.34Å; T527-E529 WeakPolarHBondContact CB-OE2 3.39Å; T527-E529 WeakPolarHBondContact OG1-CG 3.34Å; T527-E529 PolarHBondContact OG1-N 2.73Å; T527-E529 PolarHBondContact OG1-OE2 2.87Å; E529-T545 PolarHBondContact O-N 2.77Å
530	Q	95.6	Very high	96.4	Very high	36 Å²	36	23 Å²	23	17%	0.168	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	147.2	-179.8	-58.3	177.8	32.5	0	0	111.6	M524 S525 G528 F532 W543 T545	M524-Q530 VanDerWaalsContact CG-O 3.3Å; M524-Q530 WeakPolarHBondContact CG-O 3.4Å; S525-Q530 WeakPolarHBondContact CB-O 3.46Å; S525-Q530 PolarHBondContact N-O 3.01Å; S525-Q530 PolarHBondContact OG-N 3.01Å; S525-Q530 PolarHBondContact OG-O 2.86Å; G528-Q530 PolarHBondContact O-N 3.33Å; Q530-F532 HydrophobicContact CB-CE2 4.32Å; Q530-F532 HydrophobicContact CB-CZ 4.31Å; Q530-W543 VanDerWaalsContact CA-O 3.22Å; Q530-W543 WeakPolarHBondContact CA-O 3.41Å; Q530-W543 WeakPolarHBondContact CB-O 3.43Å; Q530-T545 PolarHBondContact N-OG1 2.87Å
531	C	97.1	Very high	96.4	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	160.7	168	64.6	0	0	0	0	111.9	I479 V523 M524 W543	I479-C531 HydrophobicContact CD1-CB 4.26Å; V523-C531 CarbonylContact O-C 3.57Å; V523-C531 WeakPolarHBondContact O-CA 3.43Å; V523-C531 WeakPolarHBondContact O-CB 3.42Å; M524-C531 HydrophobicContact CB-CB 4.37Å; M524-C531 HydrophobicContact CE-CB 4.33Å; M524-C531 HydrophobicContact CG-CB 4.21Å; C531-W543 PolarHBondContact N-O 3.35Å; C531-W543 VanDerWaalsContact N-O 3.07Å; C531-W543 WeakPolarHBondContact O-CB 3.33Å; C531-W543 PolarHBondContact O-N 3.23Å
532	F	98.3	Very high	96.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	139.4	-174.2	-55.1	-87.9	0	0	0	109.1	V522 V523 Q530 I540 Q541 C542 L575 Y577 L584 A598	V522-F532 WeakPolarHBondContact CA-O 3.39Å; V523-F532 HydrophobicContact CG1-CB 4.13Å; V523-F532 HydrophobicContact CG1-CD2 4.43Å; V523-F532 PolarHBondContact N-O 3.19Å; V523-F532 PolarHBondContact O-N 2.59Å; Q530-F532 HydrophobicContact CB-CE2 4.32Å; Q530-F532 HydrophobicContact CB-CZ 4.31Å; F532-I540 HydrophobicContact CB-CG2 4.46Å; F532-Q541 WeakPolarHBondContact CA-O 3.23Å; F532-C542 HydrophobicContact CD1-CB 4.06Å; F532-C542 HydrophobicContact CE1-CB 4.04Å; F532-L575 HydrophobicContact CB-CD1 4.24Å; F532-Y577 HydrophobicContact CD2-CD2 4.35Å; F532-Y577 AromaticContact CE2-CD2 3.92Å; F532-Y577 HydrophobicContact CE2-CD2 3.92Å; F532-Y577 HydrophobicContact CE2-CE2 4.05Å; F532-L584 HydrophobicContact CB-CD1 4.15Å; F532-L584 HydrophobicContact CB-CD2 3.97Å; F532-L584 HydrophobicContact CD1-CD2 3.97Å; F532-L584 HydrophobicContact CD2-CD1 4.13Å; F532-L584 HydrophobicContact CG-CD1 4.11Å; F532-L584 HydrophobicContact CG-CD2 3.95Å; F532-A598 HydrophobicContact CE1-CB 4.46Å; F532-A598 HydrophobicContact CE2-CB 4.35Å; F532-A598 HydrophobicContact CZ-CB 3.82Å
533	S	98.4	Very high	96.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	138.3	-179	61.7	0	0	0	0	112.4	H515 S521 I540 Q541 W543 L575	H515-S533 PolarHBondContact CD2-OG 2.92Å; H515-S533 PolarHBondContact CE1-O 3.02Å; H515-S533 PolarHBondContact NE2-O 3.33Å; H515-S533 PolarHBondContact NE2-OG 2.88Å; S521-S533 CarbonylContact O-C 3.5Å; S521-S533 VanDerWaalsContact O-CA 3.28Å; S521-S533 WeakPolarHBondContact O-CA 3.29Å; S533-I540 CarbonylContact O-C 3.58Å; S533-I540 VanDerWaalsContact O-CA 3.26Å; S533-I540 WeakPolarHBondContact O-CA 3.47Å; S533-Q541 PolarHBondContact N-O 2.9Å; S533-Q541 PolarHBondContact O-N 3.42Å; S533-W543 PolarHBondContact OG-NE1 3.36Å; S533-L575 VanDerWaalsContact C-CD1 3.49Å
534	G	98.3	Very high	96.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	136.8	-178.6	0	0	0	0	0	111.1	L520 S521 L575	L520-G534 PolarHBondContact N-O 3.17Å; S521-G534 PolarHBondContact N-O 2.82Å; S521-G534 PolarHBondContact O-N 3.45Å; S521-G534 WeakPolarHBondContact OG-CA 3.27Å; G534-L575 VanDerWaalsContact N-CD1 3.34Å
535	G	97.5	Very high	96.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	170.9	-174.4	0	0	0	0	0	114.7	H515 A518 D537 G538 T539 S571 V572	H515-G535 PolarHBondContact CE1-N 3.19Å; A518-G535 CarbonylContact O-C 3.58Å; A518-G535 VanDerWaalsContact O-CA 3.27Å; A518-G535 WeakPolarHBondContact O-CA 2.96Å; G535-D537 PolarHBondContact O-N 3.44Å; G535-G538 PolarHBondContact O-N 3.26Å; G535-T539 PolarHBondContact N-O 3.39Å; G535-S571 WeakPolarHBondContact O-CA 3.38Å; G535-V572 PolarHBondContact O-N 3.42Å
536	V	97.6	Very high	96.1	Very high	64 Å²	64	25.2 Å²	25.2	39%	0.388	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-24.1	167.6	171.9	0	0	0	0	111.8	A518 L520 G538	A518-V536 HydrophobicContact CB-CG2 3.88Å; A518-V536 PolarHBondContact O-N 2.72Å; L520-V536 HydrophobicContact CD1-CG2 3.75Å; L520-V536 HydrophobicContact CD2-CG2 3.99Å; L520-V536 HydrophobicContact CG-CG2 3.94Å; V536-G538 PolarHBondContact O-N 3.21Å; V536-G538 VanDerWaalsContact O-N 3.11Å
537	D	96.1	Very high	96.1	Very high	46 Å²	46	27.3 Å²	27.3	25%	0.246	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	1	175.7	55	30.4	0	0	0	114.9	H515 R516 G535 T539	H515-D537 WeakPolarHBondContact CA-OD2 2.94Å; H515-D537 WeakPolarHBondContact CB-OD2 3.46Å; H515-D537 IonicContact CE1-OD1 3.74Å; H515-D537 IonicContact CG-OD2 2.79Å; H515-D537 IonicContact ND1-OD1 3.86Å; H515-D537 PolarHBondContact ND1-OD1 3.35Å; H515-D537 IonicContact ND1-OD2 3.91Å; H515-D537 PolarHBondContact ND1-OD2 3.24Å; R516-D537 HydrophobicContact CB-CB 4.23Å; R516-D537 PolarHBondContact N-OD2 2.98Å; G535-D537 PolarHBondContact O-N 3.44Å; D537-T539 HydrophobicContact CB-CG2 4.26Å; D537-T539 VanDerWaalsContact CG-OG1 3.26Å; D537-T539 PolarHBondContact O-N 2.93Å; D537-T539 WeakPolarHBondContact OD1-CB 3.24Å; D537-T539 PolarHBondContact OD1-N 3.01Å; D537-T539 PolarHBondContact OD1-OG1 3.23Å
538	G	95.8	Very high	96	Very high	5 Å²	5	24.6 Å²	24.6	5%	0.052	13%	0.132	C	C	.	.	S	Bend	trans	71	5	-178.3	0	0	0	0	0	114	G535 V536 D570	G535-G538 PolarHBondContact O-N 3.26Å; V536-G538 PolarHBondContact O-N 3.21Å; V536-G538 VanDerWaalsContact O-N 3.11Å; G538-D570 WeakPolarHBondContact CA-O 3.35Å
539	T	96.5	Very high	95.7	Very high	15 Å²	15	29.8 Å²	29.8	9%	0.092	16%	0.16	C	C	.	.			trans	-95.1	152.7	-179	76.6	0	0	0	0	111.4	H515 G535 D537 Q541 E564	H515-T539 PolarHBondContact ND1-OG1 3.14Å; G535-T539 PolarHBondContact N-O 3.39Å; D537-T539 HydrophobicContact CB-CG2 4.26Å; D537-T539 VanDerWaalsContact CG-OG1 3.26Å; D537-T539 PolarHBondContact O-N 2.93Å; D537-T539 WeakPolarHBondContact OD1-CB 3.24Å; D537-T539 PolarHBondContact OD1-N 3.01Å; D537-T539 PolarHBondContact OD1-OG1 3.23Å; T539-Q541 PolarHBondContact OG1-NE2 3.35Å; T539-E564 VanDerWaalsContact CG2-CD 3.48Å; T539-E564 HydrophobicContact CG2-CG 4.29Å; T539-E564 WeakPolarHBondContact CG2-OE1 3.49Å
540	I	98.2	Very high	95.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	109.3	166.7	-58.3	164.6	0	0	0	107.8	F532 S533 L565 V572 L575 L584 W596	F532-I540 HydrophobicContact CB-CG2 4.46Å; S533-I540 CarbonylContact O-C 3.58Å; S533-I540 VanDerWaalsContact O-CA 3.26Å; S533-I540 WeakPolarHBondContact O-CA 3.47Å; I540-L565 HydrophobicContact CB-CB 4.12Å; I540-L565 HydrophobicContact CG2-CD1 4.3Å; I540-L565 PolarHBondContact N-O 3.35Å; I540-L565 PolarHBondContact O-N 2.8Å; I540-V572 HydrophobicContact CD1-CG1 4.33Å; I540-V572 HydrophobicContact CG1-CG1 4.12Å; I540-V572 HydrophobicContact CG1-CG2 4.17Å; I540-L575 HydrophobicContact CD1-CD2 3.8Å; I540-L575 HydrophobicContact CG1-CD2 4.06Å; I540-L575 HydrophobicContact CG2-CD1 4.05Å; I540-L575 HydrophobicContact CG2-CD2 4.18Å; I540-L584 HydrophobicContact CG2-CD2 3.79Å; I540-W596 HydrophobicContact CD1-CZ2 3.93Å
541	Q	97.8	Very high	94.8	Very high	10 Å²	10	27.7 Å²	27.7	5%	0.047	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	132.9	-178.9	-57.6	-63.9	-28.7	0	0	109.6	A514 F532 S533 T539 W543 L561 E564	A514-Q541 HydrophobicContact CB-CG 4.03Å; F532-Q541 WeakPolarHBondContact CA-O 3.23Å; S533-Q541 PolarHBondContact N-O 2.9Å; S533-Q541 PolarHBondContact O-N 3.42Å; T539-Q541 PolarHBondContact OG1-NE2 3.35Å; Q541-W543 HydrophobicContact CB-CZ2 3.83Å; Q541-W543 PolarHBondContact O-NE1 3.43Å; Q541-L561 HydrophobicContact CB-CD1 4.43Å; Q541-E564 PolarHBondContact NE2-OE2 2.67Å
542	C	97.5	Very high	94.2	Very high	4 Å²	4	31.1 Å²	31.1	3%	0.027	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	124.5	-175.2	-59.5	0	0	0	0	110.1	F532 R562 G563	F532-C542 HydrophobicContact CD1-CB 4.06Å; F532-C542 HydrophobicContact CE1-CB 4.04Å; C542-R562 HydrophobicContact CB-CB 4.15Å; C542-R562 WeakPolarHBondContact O-CB 3.16Å; C542-R562 PolarHBondContact O-N 3.47Å; C542-G563 WeakPolarHBondContact CB-O 3.21Å; C542-G563 PolarHBondContact N-O 2.76Å
543	W	97.4	Very high	93.4	Very high	5 Å²	5	40.8 Å²	40.8	2%	0.019	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	144.8	-171.6	-48.6	92.3	0	0	0	112.1	L487 F512 A514 Q530 C531 S533 Q541 V560 L561	L487-W543 HydrophobicContact CD1-CZ2 4.35Å; F512-W543 HydrophobicContact CB-CD2 4.38Å; F512-W543 HydrophobicContact CB-CE3 4.24Å; F512-W543 HydrophobicContact CB-CH2 3.78Å; F512-W543 HydrophobicContact CB-CZ2 3.95Å; F512-W543 HydrophobicContact CB-CZ3 3.93Å; F512-W543 HydrophobicContact CD1-CB 4.46Å; F512-W543 AromaticContact CD1-CD2 3.8Å; F512-W543 HydrophobicContact CD1-CD2 3.8Å; F512-W543 AromaticContact CD1-CE3 3.61Å; F512-W543 HydrophobicContact CD1-CE3 3.61Å; F512-W543 HydrophobicContact CD1-CG 4.21Å; F512-W543 HydrophobicContact CD1-CZ3 4.06Å; F512-W543 HydrophobicContact CE1-CB 4.32Å; F512-W543 HydrophobicContact CE1-CE3 4.45Å; F512-W543 HydrophobicContact CE1-CG 4.5Å; F512-W543 HydrophobicContact CG-CD2 4.42Å; F512-W543 HydrophobicContact CG-CE3 4.37Å; A514-W543 HydrophobicContact CB-CH2 3.42Å; A514-W543 VanDerWaalsContact CB-CH2 3.42Å; A514-W543 HydrophobicContact CB-CZ2 3.83Å; A514-W543 HydrophobicContact CB-CZ3 4.39Å; Q530-W543 VanDerWaalsContact CA-O 3.22Å; Q530-W543 WeakPolarHBondContact CA-O 3.41Å; Q530-W543 WeakPolarHBondContact CB-O 3.43Å; C531-W543 PolarHBondContact N-O 3.35Å; C531-W543 VanDerWaalsContact N-O 3.07Å; C531-W543 WeakPolarHBondContact O-CB 3.33Å; C531-W543 PolarHBondContact O-N 3.23Å; S533-W543 PolarHBondContact OG-NE1 3.36Å; Q541-W543 HydrophobicContact CB-CZ2 3.83Å; Q541-W543 PolarHBondContact O-NE1 3.43Å; W543-V560 CarbonylContact C-O 3.57Å; W543-V560 WeakPolarHBondContact CA-O 3.28Å; W543-V560 HydrophobicContact CE3-CG1 4.2Å; W543-L561 HydrophobicContact CD2-CD1 4.24Å; W543-L561 HydrophobicContact CE3-CB 4.05Å; W543-L561 HydrophobicContact CE3-CD1 3.85Å; W543-L561 HydrophobicContact CH2-CD1 4.04Å; W543-L561 HydrophobicContact CZ2-CD1 4.38Å; W543-L561 HydrophobicContact CZ3-CB 3.9Å; W543-L561 HydrophobicContact CZ3-CD1 3.76Å; W543-L561 HydrophobicContact CZ3-CG 4.3Å
544	N	96.4	Very high	92.8	Very high	55 Å²	55	45.4 Å²	45.4	29%	0.294	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	133	156.3	-70.7	-45.7	0	0	0	107.9	P546 S559 V560 R562	N544-P546 WeakPolarHBondContact O-CD 3.35Å; N544-S559 PolarHBondContact ND2-O 2.8Å; N544-V560 PolarHBondContact N-O 3.08Å; N544-R562 WeakPolarHBondContact OD1-CD 3.49Å
545	T	94.8	Very high	92.1	Very high	25 Å²	25	50.8 Å²	50.8	15%	0.153	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-71.2	121	176.5	-55.2	0	0	0	0	109.4	M489 M524 G528 E529 Q530	M489-T545 HydrophobicContact SD-CG2 3.88Å; M524-T545 HydrophobicContact CE-CG2 4.28Å; G528-T545 WeakPolarHBondContact O-CB 3.47Å; G528-T545 PolarHBondContact O-OG1 2.99Å; E529-T545 PolarHBondContact O-N 2.77Å; Q530-T545 PolarHBondContact N-OG1 2.87Å
546	P	93.8	Very high	91.6	Very high	12 Å²	12	58.1 Å²	58.1	8%	0.078	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-65.5	157.1	177.1	-17.7	30.6	0	0	0	111.5	M489 Y510 F512 N544 I550 V560	M489-P546 HydrophobicContact CE-CB 3.97Å; M489-P546 HydrophobicContact CE-CG 4.24Å; M489-P546 VanDerWaalsContact CE-O 3.3Å; M489-P546 WeakPolarHBondContact CE-O 3.31Å; Y510-P546 HydrophobicContact CD1-CG 3.88Å; Y510-P546 HydrophobicContact CD2-CB 4.48Å; Y510-P546 HydrophobicContact CD2-CG 4.13Å; Y510-P546 HydrophobicContact CE1-CG 4.14Å; Y510-P546 HydrophobicContact CE2-CG 4.35Å; Y510-P546 HydrophobicContact CG-CG 3.88Å; F512-P546 HydrophobicContact CE1-CG 4.07Å; F512-P546 HydrophobicContact CZ-CG 4.22Å; N544-P546 WeakPolarHBondContact O-CD 3.35Å; P546-I550 HydrophobicContact CB-CD1 4.26Å; P546-V560 HydrophobicContact CG-CG1 4.01Å; P546-V560 HydrophobicContact CG-CG2 4.12Å
547	N	90.6	Very high	91.2	Very high	103 Å²	103	58.5 Å²	58.5	55%	0.551	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-60.1	130.2	176.7	-171.2	-48.7	0	0	0	110.3	N549 I550	N547-N549 PolarHBondContact O-N 2.91Å; N547-N549 WeakPolarHBondContact OD1-CB 3.34Å; N547-N549 PolarHBondContact OD1-N 2.82Å; N547-N549 PolarHBondContact OD1-ND2 3.29Å; N547-I550 VanDerWaalsContact O-CB 3.27Å; N547-I550 WeakPolarHBondContact O-CB 3.47Å; N547-I550 VanDerWaalsContact O-CG2 3.24Å; N547-I550 WeakPolarHBondContact O-CG2 3.32Å; N547-I550 PolarHBondContact O-N 2.74Å
548	P	90.1	Very high	90.9	Very high	11 Å²	11	60.5 Å²	60.5	7%	0.071	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-13.4	179.3	-17.4	24.7	0	0	0	114.8	E475 V477 N491 K494 I509	E475-P548 WeakPolarHBondContact OE2-CG 3.29Å; V477-P548 HydrophobicContact CG2-CB 3.8Å; V477-P548 HydrophobicContact CG2-CG 3.92Å; N491-P548 PolarHBondContact ND2-O 2.89Å; K494-P548 PolarHBondContact NZ-O 2.89Å; I509-P548 HydrophobicContact CD1-CB 4.38Å; I509-P548 WeakPolarHBondContact CD1-O 3.36Å
549	N	88.4	Confident	90.7	Very high	108 Å²	108	63.3 Å²	63.3	58%	0.578	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-4	179	-62.6	-70.7	0	0	0	114.1	K494 N547	K494-N549 VanDerWaalsContact NZ-C 3.34Å; K494-N549 PolarHBondContact NZ-O 2.82Å; N547-N549 PolarHBondContact O-N 2.91Å; N547-N549 WeakPolarHBondContact OD1-CB 3.34Å; N547-N549 PolarHBondContact OD1-N 2.82Å; N547-N549 PolarHBondContact OD1-ND2 3.29Å
550	I	87.7	Confident	90.6	Very high	37 Å²	37	63 Å²	63	19%	0.19	34%	0.337	C	S	.	.			trans	-44.3	146.5	173.2	-162	169.9	0	0	0	112.2	K494 I509 Y510 P546 N547 D554	K494-I550 PolarHBondContact NZ-O 2.82Å; I509-I550 HydrophobicContact CB-CG2 4.43Å; I509-I550 HydrophobicContact CD1-CG2 4.43Å; Y510-I550 HydrophobicContact CD2-CD1 4.21Å; Y510-I550 HydrophobicContact CE2-CD1 4.45Å; P546-I550 HydrophobicContact CB-CD1 4.26Å; N547-I550 VanDerWaalsContact O-CB 3.27Å; N547-I550 WeakPolarHBondContact O-CB 3.47Å; N547-I550 VanDerWaalsContact O-CG2 3.24Å; N547-I550 WeakPolarHBondContact O-CG2 3.32Å; N547-I550 PolarHBondContact O-N 2.74Å; I550-D554 HydrophobicContact CG1-CB 4.11Å; I550-D554 VanDerWaalsContact CG1-OD2 3.29Å; I550-D554 WeakPolarHBondContact CG1-OD2 3.37Å
551	D	83.4	Confident	90.5	Very high	82 Å²	82	65.4 Å²	65.4	44%	0.439	35%	0.349	S	S	.	.			trans	-81.5	129.5	170.7	-163.7	-53.2	0	0	0	108.8	Y553 D554	D551-Y553 PolarHBondContact O-N 3.17Å; D551-Y553 WeakPolarHBondContact OD1-CB 3.37Å; D551-Y553 VanDerWaalsContact OD1-CD2 3.3Å; D551-Y553 WeakPolarHBondContact OD1-CD2 3.12Å; D551-Y553 PolarHBondContact OD1-N 3.07Å; D551-D554 HydrophobicContact CB-CB 4.47Å; D551-D554 WeakPolarHBondContact CB-OD2 3.29Å; D551-D554 PolarHBondContact N-OD2 3.17Å; D551-D554 WeakPolarHBondContact O-CB 3.32Å; D551-D554 PolarHBondContact O-N 2.99Å
552	P	82.9	Confident	90.4	Very high	72 Å²	72	69 Å²	69	47%	0.468	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-14.2	174.9	-24.6	34.8	0	0	0	114.7
553	Y	82.6	Confident	90.2	Very high	203 Å²	203	69.9 Å²	69.9	80%	0.796	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	7.8	175.7	-54.4	-75.6	0	0	0	113.9	D551	D551-Y553 PolarHBondContact O-N 3.17Å; D551-Y553 WeakPolarHBondContact OD1-CB 3.37Å; D551-Y553 VanDerWaalsContact OD1-CD2 3.3Å; D551-Y553 WeakPolarHBondContact OD1-CD2 3.12Å; D551-Y553 PolarHBondContact OD1-N 3.07Å
554	D	84.8	Confident	90.1	Very high	97 Å²	97	72.6 Å²	72.6	52%	0.519	39%	0.385	S	S	.	.	S	Bend	trans	-60.1	156	171.8	-85.7	-43.2	0	0	0	111.8	I550 D551	I550-D554 HydrophobicContact CG1-CB 4.11Å; I550-D554 VanDerWaalsContact CG1-OD2 3.29Å; I550-D554 WeakPolarHBondContact CG1-OD2 3.37Å; D551-D554 HydrophobicContact CB-CB 4.47Å; D551-D554 WeakPolarHBondContact CB-OD2 3.29Å; D551-D554 PolarHBondContact N-OD2 3.17Å; D551-D554 WeakPolarHBondContact O-CB 3.32Å; D551-D554 PolarHBondContact O-N 2.99Å
555	S	85.3	Confident	90.1	Very high	113 Å²	113	70.1 Å²	70.1	79%	0.79	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-67.7	144.1	177.1	-65.6	0	0	0	0	111.3	D557	S555-D557 PolarHBondContact O-N 2.91Å; S555-D557 VanDerWaalsContact O-N 3.15Å
556	Y	86.6	Confident	90	Very high	154 Å²	154	72.5 Å²	72.5	60%	0.604	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-57.1	118.5	177.5	171	-101.1	0	0	0	111.6	P558	Y556-P558 HydrophobicContact CE1-CB 3.98Å; Y556-P558 WeakPolarHBondContact O-CD 3.43Å
557	D	88.4	Confident	90	Very high	72 Å²	72	73.7 Å²	73.7	39%	0.385	40%	0.404	S	S	.	.			trans	-91.6	114	172.4	177.4	17.3	0	0	0	110.6	S555 S559 V560	S555-D557 PolarHBondContact O-N 2.91Å; S555-D557 VanDerWaalsContact O-N 3.15Å; D557-S559 VanDerWaalsContact CG-OG 3.29Å; D557-S559 PolarHBondContact O-N 2.9Å; D557-S559 VanDerWaalsContact OD1-CB 3.23Å; D557-S559 WeakPolarHBondContact OD1-CB 3.25Å; D557-S559 PolarHBondContact OD1-N 3.47Å; D557-S559 PolarHBondContact OD1-OG 3.15Å; D557-S559 WeakPolarHBondContact OD2-CB 3.25Å; D557-S559 PolarHBondContact OD2-OG 2.78Å; D557-V560 HydrophobicContact CB-CG2 4.12Å; D557-V560 PolarHBondContact O-N 3.13Å
558	P	89.7	Confident	90.3	Very high	88 Å²	88	69.5 Å²	69.5	57%	0.571	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-66.4	-16.9	175.4	29.3	-35.7	0	0	0	113.3	Y556 V560 L561	Y556-P558 HydrophobicContact CE1-CB 3.98Å; Y556-P558 WeakPolarHBondContact O-CD 3.43Å; P558-V560 PolarHBondContact O-N 3.24Å; P558-L561 PolarHBondContact O-N 2.88Å
559	S	92.1	Very high	90.6	Very high	64 Å²	64	75 Å²	75	45%	0.448	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-68.3	-16.5	178	97.9	0	0	0	0	113.4	N544 D557 L561	N544-S559 PolarHBondContact ND2-O 2.8Å; D557-S559 VanDerWaalsContact CG-OG 3.29Å; D557-S559 PolarHBondContact O-N 2.9Å; D557-S559 VanDerWaalsContact OD1-CB 3.23Å; D557-S559 WeakPolarHBondContact OD1-CB 3.25Å; D557-S559 PolarHBondContact OD1-N 3.47Å; D557-S559 PolarHBondContact OD1-OG 3.15Å; D557-S559 WeakPolarHBondContact OD2-CB 3.25Å; D557-S559 PolarHBondContact OD2-OG 2.78Å; S559-L561 VanDerWaalsContact C-N 3.32Å; S559-L561 PolarHBondContact O-N 2.78Å
560	V	95.1	Very high	91	Very high	7 Å²	7	73.3 Å²	73.3	4%	0.042	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-65.3	-33.7	177	175.1	0	0	0	0	111.9	Y510 F512 W543 N544 P546 D557 P558	Y510-V560 HydrophobicContact CE1-CG1 3.77Å; F512-V560 HydrophobicContact CD1-CG1 3.88Å; F512-V560 HydrophobicContact CE1-CG1 3.81Å; W543-V560 CarbonylContact C-O 3.57Å; W543-V560 WeakPolarHBondContact CA-O 3.28Å; W543-V560 HydrophobicContact CE3-CG1 4.2Å; N544-V560 PolarHBondContact N-O 3.08Å; P546-V560 HydrophobicContact CG-CG1 4.01Å; P546-V560 HydrophobicContact CG-CG2 4.12Å; D557-V560 HydrophobicContact CB-CG2 4.12Å; D557-V560 PolarHBondContact O-N 3.13Å; P558-V560 PolarHBondContact O-N 3.24Å
561	L	96.2	Very high	91.4	Very high	51 Å²	51	72 Å²	72	27%	0.267	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	107.1	173	179	60.9	0	0	0	109.6	A514 Q541 W543 P558 S559 G563	A514-L561 HydrophobicContact CB-CD1 4.29Å; A514-L561 HydrophobicContact CB-CD2 4.04Å; Q541-L561 HydrophobicContact CB-CD1 4.43Å; W543-L561 HydrophobicContact CD2-CD1 4.24Å; W543-L561 HydrophobicContact CE3-CB 4.05Å; W543-L561 HydrophobicContact CE3-CD1 3.85Å; W543-L561 HydrophobicContact CH2-CD1 4.04Å; W543-L561 HydrophobicContact CZ2-CD1 4.38Å; W543-L561 HydrophobicContact CZ3-CB 3.9Å; W543-L561 HydrophobicContact CZ3-CD1 3.76Å; W543-L561 HydrophobicContact CZ3-CG 4.3Å; P558-L561 PolarHBondContact O-N 2.88Å; S559-L561 VanDerWaalsContact C-N 3.32Å; S559-L561 PolarHBondContact O-N 2.78Å; L561-G563 VanDerWaalsContact C-N 3.33Å
562	R	94.9	Very high	92.1	Very high	86 Å²	86	68.1 Å²	68.1	33%	0.325	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	-27.3	178.2	-57.4	-177.3	67.1	-136.2	-16.2	112.5	C542 N544 A598 N599	C542-R562 HydrophobicContact CB-CB 4.15Å; C542-R562 WeakPolarHBondContact O-CB 3.16Å; C542-R562 PolarHBondContact O-N 3.47Å; N544-R562 WeakPolarHBondContact OD1-CD 3.49Å; R562-A598 PolarHBondContact NH1-O 3.41Å; R562-N599 PolarHBondContact NH2-O 3.42Å
563	G	94.1	Very high	92.7	Very high	22 Å²	22	69.4 Å²	69.4	23%	0.227	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	134.8	-163.9	-177.4	0	0	0	0	0	112.3	C542 L561	C542-G563 WeakPolarHBondContact CB-O 3.21Å; C542-G563 PolarHBondContact N-O 2.76Å; L561-G563 VanDerWaalsContact C-N 3.33Å
564	E	95.3	Very high	93.4	Very high	63 Å²	63	60.4 Å²	60.4	29%	0.294	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	143.2	-170.6	-172.8	-177.5	118.7	0	0	111.4	T539 Q541 S566 T601	T539-E564 VanDerWaalsContact CG2-CD 3.48Å; T539-E564 HydrophobicContact CG2-CG 4.29Å; T539-E564 WeakPolarHBondContact CG2-OE1 3.49Å; Q541-E564 PolarHBondContact NE2-OE2 2.67Å; E564-S566 WeakPolarHBondContact OE1-CB 3.44Å; E564-S566 PolarHBondContact OE1-OG 2.87Å; E564-T601 WeakPolarHBondContact O-CB 3.43Å
565	L	96.1	Very high	94	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.01	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	92.5	163.3	-67.6	165.3	0	0	0	108.4	I540 L584 W596 S602	I540-L565 HydrophobicContact CB-CB 4.12Å; I540-L565 HydrophobicContact CG2-CD1 4.3Å; I540-L565 PolarHBondContact N-O 3.35Å; I540-L565 PolarHBondContact O-N 2.8Å; L565-L584 HydrophobicContact CD1-CD2 4.08Å; L565-W596 HydrophobicContact CB-CD2 4.3Å; L565-W596 HydrophobicContact CB-CE3 3.91Å; L565-W596 HydrophobicContact CB-CH2 4.39Å; L565-W596 HydrophobicContact CB-CZ3 3.96Å; L565-W596 HydrophobicContact CD1-CB 4.01Å; L565-W596 HydrophobicContact CD1-CD2 4.26Å; L565-W596 HydrophobicContact CD1-CE3 4.42Å; L565-W596 HydrophobicContact CD1-CG 4.12Å; L565-W596 HydrophobicContact CD2-CB 4.49Å; L565-W596 HydrophobicContact CD2-CD2 4.44Å; L565-W596 HydrophobicContact CD2-CE3 3.82Å; L565-W596 HydrophobicContact CD2-CZ3 4.42Å; L565-W596 HydrophobicContact CG-CE3 4.27Å; L565-S602 VanDerWaalsContact CD2-O 3.3Å; L565-S602 WeakPolarHBondContact CD2-O 3.34Å
566	S	92.8	Very high	94.5	Very high	76 Å²	76	52.3 Å²	52.3	53%	0.531	29%	0.292	S	S	.	.			trans	-85.8	138.3	175.9	-33	0	0	0	0	110.3	E564	E564-S566 WeakPolarHBondContact OE1-CB 3.44Å; E564-S566 PolarHBondContact OE1-OG 2.87Å
567	G	92.1	Very high	95	Very high	36 Å²	36	46.2 Å²	46.2	37%	0.371	27%	0.268	S	S	.	.			trans	153.8	-6.1	174.5	0	0	0	0	0	116.8	K594	G567-K594 WeakPolarHBondContact O-CE 3.49Å; G567-K594 PolarHBondContact O-NZ 3.04Å
568	H	96.8	Very high	95.2	Very high	16 Å²	16	43.1 Å²	43.1	7%	0.074	25%	0.252	C	S	.	.			trans	-78.3	156.7	151.7	-80.1	-64.6	0	0	0	109.8	V572 S586 S588 D590 T592 K594	H568-V572 HydrophobicContact CB-CG2 4.2Å; H568-S586 PolarHBondContact CD2-OG 3.36Å; H568-S586 PolarHBondContact NE2-OG 2.88Å; H568-S588 WeakPolarHBondContact CE1-CB 3.5Å; H568-S588 WeakPolarHBondContact ND1-CB 2.97Å; H568-D590 VanDerWaalsContact CA-OD2 3.23Å; H568-D590 WeakPolarHBondContact CA-OD2 3.47Å; H568-D590 WeakPolarHBondContact CB-OD2 3.41Å; H568-D590 IonicContact CE1-OD1 3.91Å; H568-D590 IonicContact CE1-OD2 3.31Å; H568-D590 IonicContact CG-OD2 3.94Å; H568-D590 IonicContact ND1-OD1 2.73Å; H568-D590 PolarHBondContact ND1-OD1 3.14Å; H568-D590 IonicContact ND1-OD2 3.31Å; H568-D590 PolarHBondContact ND1-OD2 3.39Å; H568-T592 PolarHBondContact CE1-O 3.14Å; H568-T592 PolarHBondContact CE1-OG1 3.47Å; H568-T592 PolarHBondContact ND1-OG1 3.11Å; H568-K594 VanDerWaalsContact CE1-CD 3.49Å; H568-K594 WeakPolarHBondContact CE1-CD 3.46Å; H568-K594 WeakPolarHBondContact CE1-CE 3.22Å; H568-K594 WeakPolarHBondContact ND1-CE 3.45Å
569	T	96.5	Very high	95	Very high	127 Å²	127	42.2 Å²	42.2	78%	0.779	25%	0.248	S	C	*	.	S	Bend	trans	-108.6	1.5	176.9	64.9	0	0	0	0	113.7	D590	T569-D590 PolarHBondContact N-OD2 3.21Å; T569-D590 VanDerWaalsContact OG1-CB 3.3Å; T569-D590 WeakPolarHBondContact OG1-CB 3.26Å
570	D	96.7	Very high	94.7	Very high	71 Å²	71	42 Å²	42	38%	0.38	25%	0.25	S	S	.	.	S	Bend	trans	-157.4	167.1	-177	-158.6	-20.6	0	0	0	109.8	G538 S588 A589 D590	G538-D570 WeakPolarHBondContact CA-O 3.35Å; D570-S588 PolarHBondContact O-OG 2.83Å; D570-A589 HydrophobicContact CB-CB 3.84Å; D570-A589 WeakPolarHBondContact OD2-CB 3.12Å; D570-D590 HydrophobicContact CB-CB 4.05Å
571	S	97.6	Very high	94.3	Very high	10 Å²	10	46.2 Å²	46.2	7%	0.07	27%	0.269	C	S	.	.			trans	-26.5	125.2	176.9	-52.3	0	0	0	0	115.7	G535 S588 A589	G535-S571 WeakPolarHBondContact O-CA 3.38Å; S571-S588 CarbonylContact O-C 3.51Å; S571-S588 WeakPolarHBondContact O-CA 3.2Å; S571-S588 WeakPolarHBondContact O-CB 3.25Å; S571-S588 PolarHBondContact O-OG 2.8Å; S571-S588 VanDerWaalsContact O-OG 3.13Å; S571-A589 PolarHBondContact O-N 2.98Å
572	V	98.2	Very high	94	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	92.6	179.8	-175.7	0	0	0	0	111	L520 S521 G535 I540 H568 G574 L575 C587	L520-V572 WeakPolarHBondContact CB-O 3.29Å; S521-V572 PolarHBondContact OG-O 2.71Å; G535-V572 PolarHBondContact O-N 3.42Å; I540-V572 HydrophobicContact CD1-CG1 4.33Å; I540-V572 HydrophobicContact CG1-CG1 4.12Å; I540-V572 HydrophobicContact CG1-CG2 4.17Å; H568-V572 HydrophobicContact CB-CG2 4.2Å; V572-G574 PolarHBondContact O-N 3.16Å; V572-L575 HydrophobicContact CG1-CD2 3.98Å; V572-L575 HydrophobicContact CG1-CG 4.33Å; V572-C587 CarbonylContact C-O 3.58Å
573	W	95.8	Very high	93.9	Very high	100 Å²	100	46.1 Å²	46.1	38%	0.379	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	-31.7	-174.7	-55	121.2	0	0	0	114.5	L520 C587 A589	L520-W573 HydrophobicContact CD1-CD2 4.32Å; L520-W573 HydrophobicContact CD1-CE3 3.55Å; L520-W573 HydrophobicContact CD1-CH2 4.45Å; L520-W573 HydrophobicContact CD1-CZ3 3.62Å; L520-W573 HydrophobicContact CD2-CE3 4.07Å; L520-W573 HydrophobicContact CD2-CZ3 3.81Å; L520-W573 HydrophobicContact CG-CE3 4.3Å; L520-W573 HydrophobicContact CG-CZ3 4.34Å; W573-C587 PolarHBondContact N-O 3.23Å; W573-A589 HydrophobicContact CZ2-CB 3.91Å; W573-A589 VanDerWaalsContact NE1-N 3.2Å
574	G	95.9	Very high	94.1	Very high	13 Å²	13	45 Å²	45	13%	0.134	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	146.1	-171.9	0	0	0	0	0	113.2	V572 S586 C587	V572-G574 PolarHBondContact O-N 3.16Å; G574-S586 WeakPolarHBondContact O-CA 3.3Å; G574-C587 PolarHBondContact O-N 2.79Å; G574-C587 VanDerWaalsContact O-N 3.1Å
575	L	97.8	Very high	94.1	Very high	14 Å²	14	42.1 Å²	42.1	7%	0.073	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	134.5	176.7	-70.7	179.8	0	0	0	110.3	V523 F532 S533 G534 I540 V572 L584 L585	V523-L575 HydrophobicContact CB-CB 4.31Å; V523-L575 HydrophobicContact CG1-CB 3.74Å; F532-L575 HydrophobicContact CB-CD1 4.24Å; S533-L575 VanDerWaalsContact C-CD1 3.49Å; G534-L575 VanDerWaalsContact N-CD1 3.34Å; I540-L575 HydrophobicContact CD1-CD2 3.8Å; I540-L575 HydrophobicContact CG1-CD2 4.06Å; I540-L575 HydrophobicContact CG2-CD1 4.05Å; I540-L575 HydrophobicContact CG2-CD2 4.18Å; V572-L575 HydrophobicContact CG1-CD2 3.98Å; V572-L575 HydrophobicContact CG1-CG 4.33Å; L575-L584 HydrophobicContact CD2-CD2 4.16Å; L575-L584 HydrophobicContact CD2-CG 4.34Å; L575-L585 WeakPolarHBondContact CA-O 3.29Å
576	V	96.8	Very high	94.2	Very high	27 Å²	27	42 Å²	42	16%	0.164	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	137	177.2	176.8	0	0	0	0	110.7	L585 V620 D621 L622	V576-L585 PolarHBondContact N-O 3.21Å; V576-L585 PolarHBondContact O-N 3.29Å; V576-V620 WeakPolarHBondContact CG2-O 3.42Å; V576-D621 WeakPolarHBondContact CG1-OD1 2.99Å; V576-L622 HydrophobicContact CG1-CB 4.35Å; V576-L622 HydrophobicContact CG1-CD1 3.74Å; V576-L622 HydrophobicContact CG1-CG 3.8Å
577	Y	95.5	Very high	94.4	Very high	26 Å²	26	38.4 Å²	38.4	10%	0.102	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	125.6	-173.2	177.7	-87.6	0	0	0	112.1	S526 F532 Q582 A598 L622	S526-Y577 VanDerWaalsContact N-CE1 3.33Å; F532-Y577 HydrophobicContact CD2-CD2 4.35Å; F532-Y577 AromaticContact CE2-CD2 3.92Å; F532-Y577 HydrophobicContact CE2-CD2 3.92Å; F532-Y577 HydrophobicContact CE2-CE2 4.05Å; Y577-Q582 VanDerWaalsContact OH-CD 3.25Å; Y577-Q582 PolarHBondContact OH-NE2 2.91Å; Y577-Q582 VanDerWaalsContact OH-NE2 3.14Å; Y577-Q582 PolarHBondContact OH-OE1 2.99Å; Y577-A598 HydrophobicContact CD2-CB 4.34Å; Y577-A598 HydrophobicContact CE2-CB 3.77Å; Y577-L622 WeakPolarHBondContact O-CD1 3.43Å
578	S	92.5	Very high	94.7	Very high	7 Å²	7	36.7 Å²	36.7	5%	0.049	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	107.8	175.1	-177.1	0	0	0	0	110.9	Q582 R583 L622	S578-Q582 VanDerWaalsContact O-CA 3.26Å; S578-Q582 WeakPolarHBondContact O-CA 3.23Å; S578-Q582 PolarHBondContact O-N 3.36Å; S578-R583 PolarHBondContact N-O 2.92Å; S578-R583 PolarHBondContact O-N 3.13Å; S578-L622 VanDerWaalsContact CA-CD1 3.4Å; S578-L622 VanDerWaalsContact CB-CD1 3.49Å
579	S	87.3	Confident	94.7	Very high	69 Å²	69	37 Å²	37	48%	0.483	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-39.1	172	56.9	0	0	0	0	112.4	S526 H581 Q582	S526-S579 VanDerWaalsContact OG-CB 3.3Å; S526-S579 WeakPolarHBondContact OG-CB 3.35Å; S579-H581 VanDerWaalsContact C-N 3.26Å; S579-H581 PolarHBondContact O-N 3.35Å; S579-Q582 PolarHBondContact O-NE2 3.47Å
580	A	85.6	Confident	94.7	Very high	60 Å²	60	31.4 Å²	31.4	50%	0.496	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-31	-177.2	0	0	0	0	0	113.8	P627	A580-P627 HydrophobicContact CB-CB 4.09Å
581	H	85	Confident	94.6	Very high	95 Å²	95	28.1 Å²	28.1	44%	0.44	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124	-0.4	-175.7	-59.7	-43.4	0	0	0	114.1	S579 R583	S579-H581 VanDerWaalsContact C-N 3.26Å; S579-H581 PolarHBondContact O-N 3.35Å; H581-R583 VanDerWaalsContact C-N 3.31Å; H581-R583 HydrophobicContact CB-CB 4.43Å; H581-R583 HydrophobicContact CB-CG 3.64Å; H581-R583 PolarHBondContact O-N 2.88Å; H581-R583 PolarHBondContact O-NH1 2.88Å
582	Q	91.5	Very high	94.5	Very high	68 Å²	68	28.2 Å²	28.2	32%	0.318	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	50.8	-172.9	-55.7	-68.1	-68	0	0	110.9	Y577 S578 S579 A598	Y577-Q582 VanDerWaalsContact OH-CD 3.25Å; Y577-Q582 PolarHBondContact OH-NE2 2.91Å; Y577-Q582 VanDerWaalsContact OH-NE2 3.14Å; Y577-Q582 PolarHBondContact OH-OE1 2.99Å; S578-Q582 VanDerWaalsContact O-CA 3.26Å; S578-Q582 WeakPolarHBondContact O-CA 3.23Å; S578-Q582 PolarHBondContact O-N 3.36Å; S579-Q582 PolarHBondContact O-NE2 3.47Å; Q582-A598 PolarHBondContact O-N 3.28Å
583	R	93.1	Very high	94.5	Very high	66 Å²	66	28.2 Å²	28.2	25%	0.249	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	153.7	-176.5	-63	-67.2	174.3	-119.3	26.9	111.2	S578 H581 L595 W596 D597 L605	S578-R583 PolarHBondContact N-O 2.92Å; S578-R583 PolarHBondContact O-N 3.13Å; H581-R583 VanDerWaalsContact C-N 3.31Å; H581-R583 HydrophobicContact CB-CB 4.43Å; H581-R583 HydrophobicContact CB-CG 3.64Å; H581-R583 PolarHBondContact O-N 2.88Å; H581-R583 PolarHBondContact O-NH1 2.88Å; R583-L595 HydrophobicContact CB-CD1 3.76Å; R583-L595 HydrophobicContact CG-CD1 4.12Å; R583-W596 WeakPolarHBondContact CA-O 3.44Å; R583-W596 WeakPolarHBondContact CD-O 3.2Å; R583-D597 IonicContact CZ-OD2 3.56Å; R583-D597 IonicContact NH1-OD1 2.8Å; R583-D597 PolarHBondContact NH1-OD1 2.88Å; R583-D597 IonicContact NH1-OD2 3.72Å; R583-D597 PolarHBondContact NH1-OD2 3.23Å; R583-D597 IonicContact NH2-OD2 3.78Å; R583-D597 PolarHBondContact NH2-OD2 3.17Å; R583-L605 VanDerWaalsContact NE-CD1 3.33Å
584	L	96.3	Very high	94.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	136.9	170.5	-170.6	71.4	0	0	0	108.9	V523 F532 I540 L565 L575 L595 W596	V523-L584 HydrophobicContact CG1-CD1 3.63Å; F532-L584 HydrophobicContact CB-CD1 4.15Å; F532-L584 HydrophobicContact CB-CD2 3.97Å; F532-L584 HydrophobicContact CD1-CD2 3.97Å; F532-L584 HydrophobicContact CD2-CD1 4.13Å; F532-L584 HydrophobicContact CG-CD1 4.11Å; F532-L584 HydrophobicContact CG-CD2 3.95Å; I540-L584 HydrophobicContact CG2-CD2 3.79Å; L565-L584 HydrophobicContact CD1-CD2 4.08Å; L575-L584 HydrophobicContact CD2-CD2 4.16Å; L575-L584 HydrophobicContact CD2-CG 4.34Å; L584-L595 WeakPolarHBondContact O-CA 3.49Å; L584-W596 HydrophobicContact CB-CB 4.32Å; L584-W596 PolarHBondContact N-O 3.3Å; L584-W596 PolarHBondContact O-N 3.12Å
585	L	97.1	Very high	94.6	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.01	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	145.4	166.1	-74	177.3	0	0	0	109.9	L575 V576 K594 L595 V620 L622 L630 M644	L575-L585 WeakPolarHBondContact CA-O 3.29Å; V576-L585 PolarHBondContact N-O 3.21Å; V576-L585 PolarHBondContact O-N 3.29Å; L585-K594 WeakPolarHBondContact CA-O 3.41Å; L585-L595 HydrophobicContact CD2-CB 4.07Å; L585-L595 HydrophobicContact CD2-CD1 3.62Å; L585-L595 HydrophobicContact CD2-CG 4.47Å; L585-L595 HydrophobicContact CG-CD1 4.26Å; L585-V620 HydrophobicContact CB-CG2 4.42Å; L585-V620 HydrophobicContact CD1-CG2 4.11Å; L585-L622 HydrophobicContact CD1-CD2 3.49Å; L585-L622 VanDerWaalsContact CD1-CD2 3.49Å; L585-L622 HydrophobicContact CD1-CG 4Å; L585-L622 HydrophobicContact CG-CD2 4.37Å; L585-L630 HydrophobicContact CD1-CB 3.63Å; L585-L630 HydrophobicContact CD1-CD2 3.72Å; L585-L630 HydrophobicContact CD1-CG 4.3Å; L585-L630 HydrophobicContact CD2-CD2 3.56Å; L585-L630 HydrophobicContact CG-CD2 4.32Å; L585-M644 HydrophobicContact CD1-SD 4.18Å; L585-M644 HydrophobicContact CD2-SD 4.23Å; L585-M644 HydrophobicContact CG-SD 4.48Å
586	S	98	Very high	94.5	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	144.3	174.1	60.8	0	0	0	0	112	H568 G574 V593 K594 W596	H568-S586 PolarHBondContact CD2-OG 3.36Å; H568-S586 PolarHBondContact NE2-OG 2.88Å; G574-S586 WeakPolarHBondContact O-CA 3.3Å; S586-V593 CarbonylContact O-C 3.57Å; S586-V593 WeakPolarHBondContact O-CA 3.36Å; S586-V593 WeakPolarHBondContact O-CG1 3.32Å; S586-K594 PolarHBondContact N-O 3.45Å; S586-K594 PolarHBondContact O-N 2.87Å; S586-W596 PolarHBondContact OG-NE1 3.39Å
587	C	97.4	Very high	94.4	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	142.6	170.6	63.6	0	0	0	0	111.1	V572 W573 G574 V593 P617 V620	V572-C587 CarbonylContact C-O 3.58Å; W573-C587 PolarHBondContact N-O 3.23Å; G574-C587 PolarHBondContact O-N 2.79Å; G574-C587 VanDerWaalsContact O-N 3.1Å; C587-V593 HydrophobicContact CB-CG2 4.01Å; C587-P617 HydrophobicContact CB-CB 4.06Å; C587-P617 HydrophobicContact CB-CG 4.16Å; C587-V620 HydrophobicContact CB-CB 4.16Å; C587-V620 HydrophobicContact CB-CG1 3.91Å
588	S	97.7	Very high	94.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	153.9	-171.1	169.2	0	0	0	0	113.6	H568 D570 S571 D590 G591 T592 P617	H568-S588 WeakPolarHBondContact CE1-CB 3.5Å; H568-S588 WeakPolarHBondContact ND1-CB 2.97Å; D570-S588 PolarHBondContact O-OG 2.83Å; S571-S588 CarbonylContact O-C 3.51Å; S571-S588 WeakPolarHBondContact O-CA 3.2Å; S571-S588 WeakPolarHBondContact O-CB 3.25Å; S571-S588 PolarHBondContact O-OG 2.8Å; S571-S588 VanDerWaalsContact O-OG 3.13Å; S588-D590 PolarHBondContact O-N 3.05Å; S588-D590 VanDerWaalsContact O-N 3.13Å; S588-D590 VanDerWaalsContact OG-CG 3.32Å; S588-D590 PolarHBondContact OG-N 2.85Å; S588-G591 PolarHBondContact O-N 3.43Å; S588-G591 VanDerWaalsContact O-N 3.16Å; S588-T592 PolarHBondContact N-O 3.45Å; S588-P617 WeakPolarHBondContact O-CD 3.48Å; S588-P617 WeakPolarHBondContact O-CG 3.46Å
589	A	96.5	Very high	94.3	Very high	21 Å²	21	25.9 Å²	25.9	17%	0.174	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-22.9	165.8	0	0	0	0	0	113.7	D570 S571 W573 G591	D570-A589 HydrophobicContact CB-CB 3.84Å; D570-A589 WeakPolarHBondContact OD2-CB 3.12Å; S571-A589 PolarHBondContact O-N 2.98Å; W573-A589 HydrophobicContact CZ2-CB 3.91Å; W573-A589 VanDerWaalsContact NE1-N 3.2Å; A589-G591 PolarHBondContact O-N 2.98Å
590	D	95.7	Very high	94.5	Very high	11 Å²	11	26 Å²	26	6%	0.059	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-6.4	177	75.9	15.8	0	0	0	113.9	H568 T569 D570 S588 T592 K612	H568-D590 VanDerWaalsContact CA-OD2 3.23Å; H568-D590 WeakPolarHBondContact CA-OD2 3.47Å; H568-D590 WeakPolarHBondContact CB-OD2 3.41Å; H568-D590 IonicContact CE1-OD1 3.91Å; H568-D590 IonicContact CE1-OD2 3.31Å; H568-D590 IonicContact CG-OD2 3.94Å; H568-D590 IonicContact ND1-OD1 2.73Å; H568-D590 PolarHBondContact ND1-OD1 3.14Å; H568-D590 IonicContact ND1-OD2 3.31Å; H568-D590 PolarHBondContact ND1-OD2 3.39Å; T569-D590 PolarHBondContact N-OD2 3.21Å; T569-D590 VanDerWaalsContact OG1-CB 3.3Å; T569-D590 WeakPolarHBondContact OG1-CB 3.26Å; D570-D590 HydrophobicContact CB-CB 4.05Å; S588-D590 PolarHBondContact O-N 3.05Å; S588-D590 VanDerWaalsContact O-N 3.13Å; S588-D590 VanDerWaalsContact OG-CG 3.32Å; S588-D590 PolarHBondContact OG-N 2.85Å; D590-T592 WeakPolarHBondContact OD1-CA 3.45Å; D590-T592 WeakPolarHBondContact OD1-CB 3.42Å; D590-T592 PolarHBondContact OD1-N 2.96Å; D590-T592 PolarHBondContact OD1-OG1 3.41Å; D590-K612 WeakPolarHBondContact O-CE 3.44Å; D590-K612 PolarHBondContact O-NZ 3.36Å
591	G	95	Very high	94.7	Very high	1 Å²	1	27 Å²	27	1%	0.01	14%	0.142	C	C	.	.	S	Bend	trans	94.8	-3.8	177.6	0	0	0	0	0	113.6	S588 A589 N609 P617	S588-G591 PolarHBondContact O-N 3.43Å; S588-G591 VanDerWaalsContact O-N 3.16Å; A589-G591 PolarHBondContact O-N 2.98Å; G591-N609 PolarHBondContact O-ND2 2.6Å; G591-P617 VanDerWaalsContact C-CD 3.44Å; G591-P617 WeakPolarHBondContact O-CD 3.24Å
592	T	96.6	Very high	95	Very high	13 Å²	13	24.1 Å²	24.1	8%	0.08	13%	0.133	C	C	.	.			trans	-111	153.8	-175.1	71.6	0	0	0	0	113.2	H568 S588 D590 K594 V607 F608	H568-T592 PolarHBondContact CE1-O 3.14Å; H568-T592 PolarHBondContact CE1-OG1 3.47Å; H568-T592 PolarHBondContact ND1-OG1 3.11Å; S588-T592 PolarHBondContact N-O 3.45Å; D590-T592 WeakPolarHBondContact OD1-CA 3.45Å; D590-T592 WeakPolarHBondContact OD1-CB 3.42Å; D590-T592 PolarHBondContact OD1-N 2.96Å; D590-T592 PolarHBondContact OD1-OG1 3.41Å; T592-K594 VanDerWaalsContact OG1-CE 3.24Å; T592-K594 WeakPolarHBondContact OG1-CE 3.47Å; T592-V607 HydrophobicContact CG2-CG1 3.87Å; T592-F608 WeakPolarHBondContact CA-O 3.26Å
593	V	97.4	Very high	95	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	139.9	161.8	175.8	0	0	0	0	107.3	S586 C587 V607 F608 P617 V620 L630 T632	S586-V593 CarbonylContact O-C 3.57Å; S586-V593 WeakPolarHBondContact O-CA 3.36Å; S586-V593 WeakPolarHBondContact O-CG1 3.32Å; C587-V593 HydrophobicContact CB-CG2 4.01Å; V593-V607 CarbonylContact O-C 3.56Å; V593-V607 WeakPolarHBondContact O-CA 3.3Å; V593-F608 HydrophobicContact CB-CB 4.29Å; V593-F608 HydrophobicContact CB-CD2 4.28Å; V593-F608 HydrophobicContact CG1-CD2 4.14Å; V593-F608 PolarHBondContact N-O 2.81Å; V593-F608 WeakPolarHBondContact O-CD2 3.19Å; V593-F608 PolarHBondContact O-N 2.77Å; V593-P617 HydrophobicContact CG2-CB 3.8Å; V593-P617 HydrophobicContact CG2-CG 3.98Å; V593-V620 HydrophobicContact CG1-CG2 4.02Å; V593-L630 HydrophobicContact CG1-CD2 4.36Å; V593-T632 HydrophobicContact CG2-CG2 4.21Å
594	K	97.1	Very high	95	Very high	21 Å²	21	24.2 Å²	24.2	9%	0.091	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	146.4	-178.9	-65.9	177.8	-161.3	-94	0	111.9	G567 H568 L585 S586 T592 W596 A606 V607	G567-K594 WeakPolarHBondContact O-CE 3.49Å; G567-K594 PolarHBondContact O-NZ 3.04Å; H568-K594 VanDerWaalsContact CE1-CD 3.49Å; H568-K594 WeakPolarHBondContact CE1-CD 3.46Å; H568-K594 WeakPolarHBondContact CE1-CE 3.22Å; H568-K594 WeakPolarHBondContact ND1-CE 3.45Å; L585-K594 WeakPolarHBondContact CA-O 3.41Å; S586-K594 PolarHBondContact N-O 3.45Å; S586-K594 PolarHBondContact O-N 2.87Å; T592-K594 VanDerWaalsContact OG1-CE 3.24Å; T592-K594 WeakPolarHBondContact OG1-CE 3.47Å; K594-W596 HydrophobicContact CB-CZ2 3.91Å; K594-W596 HydrophobicContact CD-CH2 4.08Å; K594-W596 HydrophobicContact CD-CZ2 3.61Å; K594-W596 HydrophobicContact CG-CZ2 4.4Å; K594-A606 WeakPolarHBondContact CA-O 3.25Å; K594-V607 HydrophobicContact CG-CG1 4.09Å; K594-V607 HydrophobicContact CG-CG2 4.2Å
595	L	96.7	Very high	94.9	Very high	17 Å²	17	27.4 Å²	27.4	9%	0.089	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	131.8	173.7	-179.8	71.9	0	0	0	109.5	R583 L584 L585 S604 L605 A606 F608 M644	R583-L595 HydrophobicContact CB-CD1 3.76Å; R583-L595 HydrophobicContact CG-CD1 4.12Å; L584-L595 WeakPolarHBondContact O-CA 3.49Å; L585-L595 HydrophobicContact CD2-CB 4.07Å; L585-L595 HydrophobicContact CD2-CD1 3.62Å; L585-L595 HydrophobicContact CD2-CG 4.47Å; L585-L595 HydrophobicContact CG-CD1 4.26Å; L595-S604 CarbonylContact O-C 3.6Å; L595-S604 WeakPolarHBondContact O-CA 3.21Å; L595-L605 HydrophobicContact CD2-CB 4.5Å; L595-L605 PolarHBondContact O-N 3.01Å; L595-A606 HydrophobicContact CB-CB 4.14Å; L595-A606 HydrophobicContact CD2-CB 4.31Å; L595-A606 PolarHBondContact N-O 3.26Å; L595-A606 PolarHBondContact O-N 2.84Å; L595-F608 HydrophobicContact CB-CE2 4.06Å; L595-M644 HydrophobicContact CD1-SD 4.05Å; L595-M644 HydrophobicContact CD2-CB 4.48Å
596	W	96.8	Very high	94.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	156.8	-177.6	-42.8	82.9	0	0	0	111.3	I540 L565 R583 L584 S586 K594 S604	I540-W596 HydrophobicContact CD1-CZ2 3.93Å; L565-W596 HydrophobicContact CB-CD2 4.3Å; L565-W596 HydrophobicContact CB-CE3 3.91Å; L565-W596 HydrophobicContact CB-CH2 4.39Å; L565-W596 HydrophobicContact CB-CZ3 3.96Å; L565-W596 HydrophobicContact CD1-CB 4.01Å; L565-W596 HydrophobicContact CD1-CD2 4.26Å; L565-W596 HydrophobicContact CD1-CE3 4.42Å; L565-W596 HydrophobicContact CD1-CG 4.12Å; L565-W596 HydrophobicContact CD2-CB 4.49Å; L565-W596 HydrophobicContact CD2-CD2 4.44Å; L565-W596 HydrophobicContact CD2-CE3 3.82Å; L565-W596 HydrophobicContact CD2-CZ3 4.42Å; L565-W596 HydrophobicContact CG-CE3 4.27Å; R583-W596 WeakPolarHBondContact CA-O 3.44Å; R583-W596 WeakPolarHBondContact CD-O 3.2Å; L584-W596 HydrophobicContact CB-CB 4.32Å; L584-W596 PolarHBondContact N-O 3.3Å; L584-W596 PolarHBondContact O-N 3.12Å; S586-W596 PolarHBondContact OG-NE1 3.39Å; K594-W596 HydrophobicContact CB-CZ2 3.91Å; K594-W596 HydrophobicContact CD-CH2 4.08Å; K594-W596 HydrophobicContact CD-CZ2 3.61Å; K594-W596 HydrophobicContact CG-CZ2 4.4Å; W596-S604 VanDerWaalsContact CE3-CA 3.5Å
597	D	94.7	Very high	94.6	Very high	28 Å²	28	28.6 Å²	28.6	15%	0.15	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	126.1	163.4	-160.2	-45.6	0	0	0	108.6	R583 N599 L605	R583-D597 IonicContact CZ-OD2 3.56Å; R583-D597 IonicContact NH1-OD1 2.8Å; R583-D597 PolarHBondContact NH1-OD1 2.88Å; R583-D597 IonicContact NH1-OD2 3.72Å; R583-D597 PolarHBondContact NH1-OD2 3.23Å; R583-D597 IonicContact NH2-OD2 3.78Å; R583-D597 PolarHBondContact NH2-OD2 3.17Å; D597-N599 PolarHBondContact O-N 3.13Å; D597-N599 VanDerWaalsContact OD1-CB 3.3Å; D597-N599 WeakPolarHBondContact OD1-CB 3.47Å; D597-N599 PolarHBondContact OD1-N 2.9Å; D597-N599 PolarHBondContact OD1-ND2 3.02Å; D597-L605 HydrophobicContact CB-CD1 4.27Å
598	A	93.4	Very high	94.5	Very high	2 Å²	2	28.8 Å²	28.8	2%	0.017	17%	0.174	C	C	.	.	S	Bend	trans	-72.3	-18.5	178.5	0	0	0	0	0	112.5	F532 R562 Y577 Q582	F532-A598 HydrophobicContact CE1-CB 4.46Å; F532-A598 HydrophobicContact CE2-CB 4.35Å; F532-A598 HydrophobicContact CZ-CB 3.82Å; R562-A598 PolarHBondContact NH1-O 3.41Å; Y577-A598 HydrophobicContact CD2-CB 4.34Å; Y577-A598 HydrophobicContact CE2-CB 3.77Å; Q582-A598 PolarHBondContact O-N 3.28Å
599	N	91.4	Very high	94.3	Very high	70 Å²	70	29.7 Å²	29.7	37%	0.374	18%	0.179	S	C	.	.	S	Bend	trans	-86	-22.3	-174.8	-56.9	-80.2	0	0	0	113	R562 D597	R562-N599 PolarHBondContact NH2-O 3.42Å; D597-N599 PolarHBondContact O-N 3.13Å; D597-N599 VanDerWaalsContact OD1-CB 3.3Å; D597-N599 WeakPolarHBondContact OD1-CB 3.47Å; D597-N599 PolarHBondContact OD1-N 2.9Å; D597-N599 PolarHBondContact OD1-ND2 3.02Å
600	T	90.8	Very high	93.8	Very high	71 Å²	71	34.6 Å²	34.6	44%	0.436	20%	0.198	S	C	.	.	S	Bend	trans	-134.7	139.1	-171.7	51.3	0	0	0	0	112.2	S602	T600-S602 PolarHBondContact O-N 2.88Å; T600-S602 PolarHBondContact O-OG 3.34Å; T600-S602 PolarHBondContact OG1-OG 3.08Å
601	T	91.3	Very high	93.4	Very high	80 Å²	80	40.2 Å²	40.2	49%	0.491	23%	0.228	S	C	.	.			trans	-73.9	44.7	172.1	54.2	0	0	0	0	112.2	E564	E564-T601 WeakPolarHBondContact O-CB 3.43Å
602	S	90.3	Very high	93.1	Very high	35 Å²	35	45.9 Å²	45.9	25%	0.245	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-85.1	153.2	177.4	49.2	0	0	0	0	110.9	L565 T600	L565-S602 VanDerWaalsContact CD2-O 3.3Å; L565-S602 WeakPolarHBondContact CD2-O 3.34Å; T600-S602 PolarHBondContact O-N 2.88Å; T600-S602 PolarHBondContact O-OG 3.34Å; T600-S602 PolarHBondContact OG1-OG 3.08Å
603	P	91.6	Very high	92.6	Very high	104 Å²	104	53.6 Å²	53.6	68%	0.675	29%	0.285	S	S	*	.	P	Polyproline II helix	trans	-58	158.3	172.1	26.7	-35.9	0	0	0	112.1	L605	P603-L605 PolarHBondContact O-N 3.09Å
604	S	94.1	Very high	92.1	Very high	32 Å²	32	54.8 Å²	54.8	22%	0.224	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-53.4	127.5	-177.2	57	0	0	0	0	112.5	L595 W596 A606	L595-S604 CarbonylContact O-C 3.6Å; L595-S604 WeakPolarHBondContact O-CA 3.21Å; W596-S604 VanDerWaalsContact CE3-CA 3.5Å; S604-A606 VanDerWaalsContact C-N 3.35Å
605	L	93.8	Very high	91.8	Very high	67 Å²	67	55 Å²	55	35%	0.351	30%	0.299	S	S	.	.	S	Bend	trans	-64.3	-40	179.4	-56.6	175.4	0	0	0	111.7	R583 L595 D597 P603 R647	R583-L605 VanDerWaalsContact NE-CD1 3.33Å; L595-L605 HydrophobicContact CD2-CB 4.5Å; L595-L605 PolarHBondContact O-N 3.01Å; D597-L605 HydrophobicContact CB-CD1 4.27Å; P603-L605 PolarHBondContact O-N 3.09Å; L605-R647 PolarHBondContact O-NH2 2.8Å
606	A	94.1	Very high	91.7	Very high	2 Å²	2	56.6 Å²	56.6	2%	0.017	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	154.5	176.5	0	0	0	0	0	110.9	K594 L595 S604 F608 R647	K594-A606 WeakPolarHBondContact CA-O 3.25Å; L595-A606 HydrophobicContact CB-CB 4.14Å; L595-A606 HydrophobicContact CD2-CB 4.31Å; L595-A606 PolarHBondContact N-O 3.26Å; L595-A606 PolarHBondContact O-N 2.84Å; S604-A606 VanDerWaalsContact C-N 3.35Å; A606-F608 HydrophobicContact CB-CE2 4.22Å; A606-F608 HydrophobicContact CB-CZ 4.15Å; A606-R647 HydrophobicContact CB-CG 4.27Å
607	V	95.1	Very high	91.7	Very high	25 Å²	25	56.6 Å²	56.6	15%	0.152	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	140.3	172.5	-169	0	0	0	0	107.2	T592 V593 K594 E610	T592-V607 HydrophobicContact CG2-CG1 3.87Å; V593-V607 CarbonylContact O-C 3.56Å; V593-V607 WeakPolarHBondContact O-CA 3.3Å; K594-V607 HydrophobicContact CG-CG1 4.09Å; K594-V607 HydrophobicContact CG-CG2 4.2Å; V607-E610 HydrophobicContact CB-CG 3.84Å; V607-E610 HydrophobicContact CG1-CG 3.74Å
608	F	94.6	Very high	91.7	Very high	4 Å²	4	56.3 Å²	56.3	2%	0.018	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	153.4	177.2	-46.7	-98.7	0	0	0	109.1	T592 V593 L595 A606 E610 L630 F642 M644 R647	T592-F608 WeakPolarHBondContact CA-O 3.26Å; V593-F608 HydrophobicContact CB-CB 4.29Å; V593-F608 HydrophobicContact CB-CD2 4.28Å; V593-F608 HydrophobicContact CG1-CD2 4.14Å; V593-F608 PolarHBondContact N-O 2.81Å; V593-F608 WeakPolarHBondContact O-CD2 3.19Å; V593-F608 PolarHBondContact O-N 2.77Å; L595-F608 HydrophobicContact CB-CE2 4.06Å; A606-F608 HydrophobicContact CB-CE2 4.22Å; A606-F608 HydrophobicContact CB-CZ 4.15Å; F608-E610 VanDerWaalsContact C-N 3.25Å; F608-E610 PolarHBondContact O-N 3.43Å; F608-L630 HydrophobicContact CD2-CD2 4.14Å; F608-L630 HydrophobicContact CE1-CD2 4.34Å; F608-L630 HydrophobicContact CE2-CD2 3.78Å; F608-L630 HydrophobicContact CZ-CD2 3.89Å; F608-F642 HydrophobicContact CB-CD1 4.44Å; F608-F642 HydrophobicContact CB-CE1 4.43Å; F608-F642 HydrophobicContact CD1-CB 4.04Å; F608-F642 AromaticContact CD1-CD1 3.97Å; F608-F642 HydrophobicContact CD1-CD1 3.97Å; F608-F642 HydrophobicContact CD1-CG 4.16Å; F608-F642 HydrophobicContact CE1-CB 4.28Å; F608-M644 HydrophobicContact CZ-CB 4.41Å; F608-M644 HydrophobicContact CZ-CG 4.25Å; F608-R647 HydrophobicContact CE1-CB 4.32Å; F608-R647 HydrophobicContact CE1-CG 4.47Å
609	N	92.4	Very high	91.9	Very high	19 Å²	19	56.7 Å²	56.7	10%	0.102	31%	0.312	C	S	.	.			trans	56.1	32	-172.5	-163.2	44.1	0	0	0	114.2	G591 N611 K612 K613 L614 G615 F634	G591-N609 PolarHBondContact O-ND2 2.6Å; N609-N611 PolarHBondContact O-N 2.84Å; N609-N611 VanDerWaalsContact O-N 3.13Å; N609-K612 WeakPolarHBondContact O-CA 3.42Å; N609-K612 PolarHBondContact O-N 3.04Å; N609-K613 PolarHBondContact OD1-N 3.45Å; N609-L614 PolarHBondContact OD1-N 2.91Å; N609-G615 PolarHBondContact ND2-O 3.16Å; N609-F634 HydrophobicContact CB-CE1 4.31Å
610	E	86.9	Confident	92.1	Very high	124 Å²	124	53.6 Å²	53.6	58%	0.579	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	-38.1	176.7	-65.6	-179.7	160.2	0	0	113	V607 F608 K612	V607-E610 HydrophobicContact CB-CG 3.84Å; V607-E610 HydrophobicContact CG1-CG 3.74Å; F608-E610 VanDerWaalsContact C-N 3.25Å; F608-E610 PolarHBondContact O-N 3.43Å; E610-K612 PolarHBondContact O-N 2.84Å
611	N	87.1	Confident	92.4	Very high	129 Å²	129	51.2 Å²	51.2	69%	0.69	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	2.1	178.1	-64.6	-64.8	0	0	0	114.1	N609 K613	N609-N611 PolarHBondContact O-N 2.84Å; N609-N611 VanDerWaalsContact O-N 3.13Å; N611-K613 HydrophobicContact CB-CD 4.33Å; N611-K613 HydrophobicContact CB-CG 3.94Å; N611-K613 PolarHBondContact O-N 3.49Å
612	K	88.2	Confident	92.6	Very high	120 Å²	120	48.1 Å²	48.1	52%	0.522	26%	0.261	S	S	.	.			trans	51.7	15.5	-178.1	-48.4	-165.2	-170.4	-163.8	0	116.7	D590 N609 E610 L614 G615	D590-K612 WeakPolarHBondContact O-CE 3.44Å; D590-K612 PolarHBondContact O-NZ 3.36Å; N609-K612 WeakPolarHBondContact O-CA 3.42Å; N609-K612 PolarHBondContact O-N 3.04Å; E610-K612 PolarHBondContact O-N 2.84Å; K612-L614 VanDerWaalsContact C-N 3.25Å; K612-L614 PolarHBondContact O-N 3.03Å; K612-G615 PolarHBondContact O-N 3.29Å
613	K	86.6	Confident	92.7	Very high	176 Å²	176	46.4 Å²	46.4	77%	0.765	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-24.9	-170.9	-69	-171.5	177.3	-173.8	0	114.7	N609 N611	N609-K613 PolarHBondContact OD1-N 3.45Å; N611-K613 HydrophobicContact CB-CD 4.33Å; N611-K613 HydrophobicContact CB-CG 3.94Å; N611-K613 PolarHBondContact O-N 3.49Å
614	L	86.8	Confident	92.4	Very high	24 Å²	24	44.8 Å²	44.8	13%	0.126	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	3.4	179.1	-59.3	172.2	0	0	0	112.9	N609 K612 F634 N636 F642 L649	N609-L614 PolarHBondContact OD1-N 2.91Å; K612-L614 VanDerWaalsContact C-N 3.25Å; K612-L614 PolarHBondContact O-N 3.03Å; L614-F634 HydrophobicContact CB-CD1 3.89Å; L614-F634 HydrophobicContact CB-CD2 3.89Å; L614-F634 HydrophobicContact CB-CE1 3.71Å; L614-F634 HydrophobicContact CB-CE2 3.7Å; L614-F634 HydrophobicContact CB-CG 4Å; L614-F634 HydrophobicContact CB-CZ 3.62Å; L614-F634 HydrophobicContact CD1-CE1 4.48Å; L614-F634 HydrophobicContact CD1-CE2 3.65Å; L614-F634 HydrophobicContact CD1-CZ 3.63Å; L614-F634 HydrophobicContact CG-CE2 4.29Å; L614-F634 HydrophobicContact CG-CZ 4.29Å; L614-F634 WeakPolarHBondContact O-CB 3.47Å; L614-F634 WeakPolarHBondContact O-CD1 3.42Å; L614-F634 WeakPolarHBondContact O-CG 3.5Å; L614-N636 PolarHBondContact O-ND2 2.86Å; L614-N636 PolarHBondContact O-OD1 2.9Å; L614-F642 HydrophobicContact CD1-CE2 4.18Å; L614-F642 HydrophobicContact CD1-CZ 3.62Å; L614-L649 HydrophobicContact CD1-CD1 4.43Å
615	G	90.6	Very high	92	Very high	25 Å²	25	45.2 Å²	45.2	26%	0.258	24%	0.243	S	C	.	.			trans	89.2	-158.6	-173.8	0	0	0	0	0	113	N609 K612	N609-G615 PolarHBondContact ND2-O 3.16Å; K612-G615 PolarHBondContact O-N 3.29Å
616	V	94.6	Very high	91.7	Very high	51 Å²	51	46.1 Å²	46.1	31%	0.309	25%	0.245	S	C	.	.			trans	-91.7	129.5	178.6	179.1	0	0	0	0	109.4	S618 F634 T635	V616-S618 PolarHBondContact O-N 3.05Å; V616-F634 CarbonylContact O-C 3.5Å; V616-F634 VanDerWaalsContact O-CA 3.28Å; V616-F634 WeakPolarHBondContact O-CA 3.4Å; V616-T635 HydrophobicContact CB-CG2 4.31Å; V616-T635 PolarHBondContact O-N 3.41Å; V616-T635 PolarHBondContact O-OG1 3.13Å
617	P	96.3	Very high	91.3	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	122.6	179.6	30.3	-33.4	0	0	0	110.3	C587 S588 G591 V593 S633 F634	C587-P617 HydrophobicContact CB-CB 4.06Å; C587-P617 HydrophobicContact CB-CG 4.16Å; S588-P617 WeakPolarHBondContact O-CD 3.48Å; S588-P617 WeakPolarHBondContact O-CG 3.46Å; G591-P617 VanDerWaalsContact C-CD 3.44Å; G591-P617 WeakPolarHBondContact O-CD 3.24Å; V593-P617 HydrophobicContact CG2-CB 3.8Å; V593-P617 HydrophobicContact CG2-CG 3.98Å; P617-S633 CarbonylContact C-O 3.02Å; P617-S633 WeakPolarHBondContact CA-O 3.38Å; P617-F634 HydrophobicContact CB-CD1 4Å; P617-F634 HydrophobicContact CB-CE1 3.87Å
618	S	95.4	Very high	91	Very high	23 Å²	23	49.8 Å²	49.8	16%	0.161	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	-31.6	178	60.6	0	0	0	0	112.6	V616 S633 I665	V616-S618 PolarHBondContact O-N 3.05Å; S618-S633 PolarHBondContact N-O 3.44Å; S618-S633 PolarHBondContact OG-O 3.28Å; S618-S633 PolarHBondContact OG-OG 3.17Å; S618-I665 WeakPolarHBondContact CB-O 3.38Å; S618-I665 PolarHBondContact OG-O 3.24Å
619	S	96.9	Very high	91	Very high	10 Å²	10	50.9 Å²	50.9	7%	0.07	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	158.4	-176.8	-149.8	0	0	0	0	111.6	T632 S633 V668	S619-T632 CarbonylContact O-C 3.59Å; S619-T632 VanDerWaalsContact O-CA 3.25Å; S619-T632 WeakPolarHBondContact O-CA 3.34Å; S619-T632 WeakPolarHBondContact O-CB 3.33Å; S619-T632 PolarHBondContact O-OG1 3.09Å; S619-S633 VanDerWaalsContact CB-OG 3.23Å; S619-S633 WeakPolarHBondContact CB-OG 3.4Å; S619-S633 PolarHBondContact N-O 3.02Å; S619-S633 PolarHBondContact N-OG 3.43Å; S619-S633 PolarHBondContact O-N 2.98Å; S619-V668 PolarHBondContact OG-N 3.27Å
620	V	97.4	Very high	91.1	Very high	5 Å²	5	50 Å²	50	3%	0.03	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	143.9	178.9	64.6	0	0	0	0	109.9	V576 L585 C587 V593 L630 V631	V576-V620 WeakPolarHBondContact CG2-O 3.42Å; L585-V620 HydrophobicContact CB-CG2 4.42Å; L585-V620 HydrophobicContact CD1-CG2 4.11Å; C587-V620 HydrophobicContact CB-CB 4.16Å; C587-V620 HydrophobicContact CB-CG1 3.91Å; V593-V620 HydrophobicContact CG1-CG2 4.02Å; V620-L630 HydrophobicContact CG2-CD1 4.4Å; V620-V631 CarbonylContact C-O 3.57Å; V620-V631 WeakPolarHBondContact CA-O 3.43Å
621	D	96.6	Very high	91.6	Very high	20 Å²	20	44.1 Å²	44.1	11%	0.107	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	164.7	170.3	-166	22.3	0	0	0	112.1	V576 V631 V668 L669 S670	V576-D621 WeakPolarHBondContact CG1-OD1 2.99Å; D621-V631 HydrophobicContact CB-CG1 4.17Å; D621-V631 PolarHBondContact N-O 3.22Å; D621-V631 PolarHBondContact O-N 3.45Å; D621-V668 HydrophobicContact CB-CG1 4.27Å; D621-L669 VanDerWaalsContact OD2-CA 3.31Å; D621-L669 WeakPolarHBondContact OD2-CA 3.49Å; D621-S670 PolarHBondContact OD2-N 2.99Å
622	L	94.2	Very high	92	Very high	15 Å²	15	38 Å²	38	8%	0.079	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	137.7	176.4	-72.5	166	0	0	0	111.3	V576 Y577 S578 L585 C624 M644 S670	V576-L622 HydrophobicContact CG1-CB 4.35Å; V576-L622 HydrophobicContact CG1-CD1 3.74Å; V576-L622 HydrophobicContact CG1-CG 3.8Å; Y577-L622 WeakPolarHBondContact O-CD1 3.43Å; S578-L622 VanDerWaalsContact CA-CD1 3.4Å; S578-L622 VanDerWaalsContact CB-CD1 3.49Å; L585-L622 HydrophobicContact CD1-CD2 3.49Å; L585-L622 VanDerWaalsContact CD1-CD2 3.49Å; L585-L622 HydrophobicContact CD1-CG 4Å; L585-L622 HydrophobicContact CG-CD2 4.37Å; L622-C624 PolarHBondContact O-N 3Å; L622-M644 HydrophobicContact CD2-CE 3.73Å; L622-M644 HydrophobicContact CD2-SD 4.02Å; L622-S670 WeakPolarHBondContact O-CB 3.44Å; L622-S670 PolarHBondContact O-OG 3.4Å; L622-S670 VanDerWaalsContact O-OG 3.13Å
623	V	93.1	Very high	92.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.188	C	C	.	.			trans	-77.2	93.4	175.2	-172.7	0	0	0	0	108.5	S625 E626 H629 V631 L641	V623-S625 PolarHBondContact O-N 3.38Å; V623-S625 VanDerWaalsContact O-N 3.16Å; V623-E626 HydrophobicContact CG1-CB 4.04Å; V623-E626 CarbonylContact O-C 3.6Å; V623-E626 PolarHBondContact O-N 2.94Å; V623-E626 VanDerWaalsContact O-O 3.09Å; V623-H629 HydrophobicContact CB-CB 3.95Å; V623-H629 HydrophobicContact CG2-CB 3.8Å; V623-H629 PolarHBondContact N-O 2.82Å; V623-V631 HydrophobicContact CG2-CB 4.38Å; V623-L641 HydrophobicContact CG2-CD1 3.66Å
624	C	85.5	Confident	92.7	Very high	69 Å²	69	23.9 Å²	23.9	47%	0.466	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-29.7	-173.5	-69.8	0	0	0	0	113.6	L622 P672	L622-C624 PolarHBondContact O-N 3Å; C624-P672 VanDerWaalsContact CB-O 3.32Å; C624-P672 WeakPolarHBondContact CB-O 3.49Å
625	S	85.3	Confident	92.9	Very high	42 Å²	42	25.8 Å²	25.8	29%	0.294	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-21.5	173.8	34.3	0	0	0	0	114.2	V623 L674	V623-S625 PolarHBondContact O-N 3.38Å; V623-S625 VanDerWaalsContact O-N 3.16Å; S625-L674 PolarHBondContact OG-O 2.94Å
626	E	88	Confident	92.7	Very high	86 Å²	86	28.2 Å²	28.2	40%	0.402	17%	0.171	S	C	.	.	S	Bend	trans	-139.5	80.8	178	-65.5	-167.4	133.3	0	0	110.6	V623 A628 H629	V623-E626 HydrophobicContact CG1-CB 4.04Å; V623-E626 CarbonylContact O-C 3.6Å; V623-E626 PolarHBondContact O-N 2.94Å; V623-E626 VanDerWaalsContact O-O 3.09Å; E626-A628 PolarHBondContact O-N 3.23Å; E626-H629 HydrophobicContact CB-CB 4.38Å; E626-H629 WeakPolarHBondContact O-CB 3.48Å; E626-H629 PolarHBondContact O-N 2.8Å; E626-H629 IonicContact OE2-CE1 3.22Å; E626-H629 PolarHBondContact OE2-CE1 2.95Å; E626-H629 VanDerWaalsContact OE2-CE1 3.31Å; E626-H629 IonicContact OE2-CG 3.34Å; E626-H629 IonicContact OE2-ND1 2.71Å; E626-H629 PolarHBondContact OE2-ND1 3.46Å
627	P	85.1	Confident	92.4	Very high	60 Å²	60	26 Å²	26	39%	0.39	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-7.5	-167.8	-28.3	36.7	0	0	0	117.6	A580 H629 M644	A580-P627 HydrophobicContact CB-CB 4.09Å; P627-H629 VanDerWaalsContact C-N 3.35Å; P627-M644 WeakPolarHBondContact O-CE 3.46Å
628	A	90.3	Very high	92.2	Very high	44 Å²	44	28 Å²	28	36%	0.364	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-8.8	170.8	0	0	0	0	0	113.5	E626 M644	E626-A628 PolarHBondContact O-N 3.23Å; A628-M644 WeakPolarHBondContact O-CB 3.33Å; A628-M644 PolarHBondContact O-N 2.89Å
629	H	93.3	Very high	92.2	Very high	27 Å²	27	27 Å²	27	13%	0.125	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	145.3	-176.9	-64.6	164.3	0	0	0	111.8	V623 E626 P627 F642 N643	V623-H629 HydrophobicContact CB-CB 3.95Å; V623-H629 HydrophobicContact CG2-CB 3.8Å; V623-H629 PolarHBondContact N-O 2.82Å; E626-H629 HydrophobicContact CB-CB 4.38Å; E626-H629 WeakPolarHBondContact O-CB 3.48Å; E626-H629 PolarHBondContact O-N 2.8Å; E626-H629 IonicContact OE2-CE1 3.22Å; E626-H629 PolarHBondContact OE2-CE1 2.95Å; E626-H629 VanDerWaalsContact OE2-CE1 3.31Å; E626-H629 IonicContact OE2-CG 3.34Å; E626-H629 IonicContact OE2-ND1 2.71Å; E626-H629 PolarHBondContact OE2-ND1 3.46Å; P627-H629 VanDerWaalsContact C-N 3.35Å; H629-F642 CarbonylContact C-O 3.43Å; H629-F642 VanDerWaalsContact CA-O 3.3Å; H629-F642 WeakPolarHBondContact CA-O 3.48Å; H629-N643 PolarHBondContact CD2-ND2 3.26Å; H629-N643 PolarHBondContact NE2-ND2 3.01Å
630	L	95.5	Very high	92.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	157.5	167.5	70.6	78.4	0	0	0	109.9	L585 V593 F608 V620 T632 L641 F642 M644	L585-L630 HydrophobicContact CD1-CB 3.63Å; L585-L630 HydrophobicContact CD1-CD2 3.72Å; L585-L630 HydrophobicContact CD1-CG 4.3Å; L585-L630 HydrophobicContact CD2-CD2 3.56Å; L585-L630 HydrophobicContact CG-CD2 4.32Å; V593-L630 HydrophobicContact CG1-CD2 4.36Å; F608-L630 HydrophobicContact CD2-CD2 4.14Å; F608-L630 HydrophobicContact CE1-CD2 4.34Å; F608-L630 HydrophobicContact CE2-CD2 3.78Å; F608-L630 HydrophobicContact CZ-CD2 3.89Å; V620-L630 HydrophobicContact CG2-CD1 4.4Å; L630-T632 HydrophobicContact CD1-CG2 4.1Å; L630-L641 WeakPolarHBondContact O-CA 3.09Å; L630-F642 HydrophobicContact CD1-CB 3.85Å; L630-F642 HydrophobicContact CD1-CD2 3.86Å; L630-F642 HydrophobicContact CD1-CG 4.26Å; L630-F642 HydrophobicContact CG-CB 4Å; L630-F642 PolarHBondContact N-O 3.4Å; L630-F642 PolarHBondContact O-N 2.86Å; L630-M644 HydrophobicContact CB-CG 4.28Å; L630-M644 HydrophobicContact CB-SD 4.3Å; L630-M644 HydrophobicContact CD2-CG 3.87Å; L630-M644 HydrophobicContact CD2-SD 4.22Å; L630-M644 HydrophobicContact CG-CG 4.19Å
631	V	96.8	Very high	92	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	138.3	170.3	67.4	0	0	0	0	109.3	V620 D621 V623 I639 G640 L641 M653 V668 T677	V620-V631 CarbonylContact C-O 3.57Å; V620-V631 WeakPolarHBondContact CA-O 3.43Å; D621-V631 HydrophobicContact CB-CG1 4.17Å; D621-V631 PolarHBondContact N-O 3.22Å; D621-V631 PolarHBondContact O-N 3.45Å; V623-V631 HydrophobicContact CG2-CB 4.38Å; V631-I639 HydrophobicContact CG2-CG2 3.47Å; V631-I639 VanDerWaalsContact CG2-CG2 3.47Å; V631-G640 WeakPolarHBondContact CA-O 3.49Å; V631-L641 HydrophobicContact CB-CD1 4.13Å; V631-L641 HydrophobicContact CG2-CD1 4.41Å; V631-M653 HydrophobicContact CG2-CE 4.26Å; V631-V668 HydrophobicContact CG1-CG1 4.44Å; V631-V668 HydrophobicContact CG1-CG2 3.97Å; V631-V668 HydrophobicContact CG2-CG2 4.15Å; V631-T677 HydrophobicContact CG2-CG2 3.96Å
632	T	96.6	Very high	91.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	136.5	176.5	178.7	0	0	0	0	110.7	V593 S619 L630 F634 I639 G640 F642	V593-T632 HydrophobicContact CG2-CG2 4.21Å; S619-T632 CarbonylContact O-C 3.59Å; S619-T632 VanDerWaalsContact O-CA 3.25Å; S619-T632 WeakPolarHBondContact O-CA 3.34Å; S619-T632 WeakPolarHBondContact O-CB 3.33Å; S619-T632 PolarHBondContact O-OG1 3.09Å; L630-T632 HydrophobicContact CD1-CG2 4.1Å; T632-F634 HydrophobicContact CG2-CE2 3.81Å; T632-F634 HydrophobicContact CG2-CZ 3.68Å; T632-I639 CarbonylContact O-C 3.46Å; T632-I639 WeakPolarHBondContact O-CA 3.48Å; T632-I639 WeakPolarHBondContact O-CG2 3.49Å; T632-G640 PolarHBondContact N-O 2.89Å; T632-G640 PolarHBondContact O-N 3.4Å; T632-F642 HydrophobicContact CG2-CD2 3.91Å; T632-F642 HydrophobicContact CG2-CE2 3.65Å
633	S	95.3	Very high	91.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	150.6	173.9	61.1	0	0	0	0	110.8	P617 S618 S619 I665	P617-S633 CarbonylContact C-O 3.02Å; P617-S633 WeakPolarHBondContact CA-O 3.38Å; S618-S633 PolarHBondContact N-O 3.44Å; S618-S633 PolarHBondContact OG-O 3.28Å; S618-S633 PolarHBondContact OG-OG 3.17Å; S619-S633 VanDerWaalsContact CB-OG 3.23Å; S619-S633 WeakPolarHBondContact CB-OG 3.4Å; S619-S633 PolarHBondContact N-O 3.02Å; S619-S633 PolarHBondContact N-OG 3.43Å; S619-S633 PolarHBondContact O-N 2.98Å; S633-I665 VanDerWaalsContact CB-CG2 3.42Å; S633-I665 WeakPolarHBondContact OG-CG2 3.37Å
634	F	93.9	Very high	91.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	156.9	179.5	-60.7	-88.6	0	0	0	111.1	N609 L614 V616 P617 T632 N636 G637 Q638 F642	N609-F634 HydrophobicContact CB-CE1 4.31Å; L614-F634 HydrophobicContact CB-CD1 3.89Å; L614-F634 HydrophobicContact CB-CD2 3.89Å; L614-F634 HydrophobicContact CB-CE1 3.71Å; L614-F634 HydrophobicContact CB-CE2 3.7Å; L614-F634 HydrophobicContact CB-CG 4Å; L614-F634 HydrophobicContact CB-CZ 3.62Å; L614-F634 HydrophobicContact CD1-CE1 4.48Å; L614-F634 HydrophobicContact CD1-CE2 3.65Å; L614-F634 HydrophobicContact CD1-CZ 3.63Å; L614-F634 HydrophobicContact CG-CE2 4.29Å; L614-F634 HydrophobicContact CG-CZ 4.29Å; L614-F634 WeakPolarHBondContact O-CB 3.47Å; L614-F634 WeakPolarHBondContact O-CD1 3.42Å; L614-F634 WeakPolarHBondContact O-CG 3.5Å; V616-F634 CarbonylContact O-C 3.5Å; V616-F634 VanDerWaalsContact O-CA 3.28Å; V616-F634 WeakPolarHBondContact O-CA 3.4Å; P617-F634 HydrophobicContact CB-CD1 4Å; P617-F634 HydrophobicContact CB-CE1 3.87Å; T632-F634 HydrophobicContact CG2-CE2 3.81Å; T632-F634 HydrophobicContact CG2-CZ 3.68Å; F634-N636 VanDerWaalsContact CB-OD1 3.24Å; F634-N636 WeakPolarHBondContact CB-OD1 3.44Å; F634-N636 PolarHBondContact O-N 3.32Å; F634-N636 VanDerWaalsContact O-N 3.08Å; F634-G637 PolarHBondContact O-N 2.79Å; F634-G637 VanDerWaalsContact O-N 3.07Å; F634-Q638 HydrophobicContact CD2-CB 4.3Å; F634-Q638 PolarHBondContact N-O 2.69Å; F634-F642 HydrophobicContact CZ-CE2 4.37Å
635	T	90	Very high	92	Very high	64 Å²	64	31.9 Å²	31.9	39%	0.393	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-17.2	-177.9	51.6	0	0	0	0	114.3	V616	V616-T635 HydrophobicContact CB-CG2 4.31Å; V616-T635 PolarHBondContact O-N 3.41Å; V616-T635 PolarHBondContact O-OG1 3.13Å
636	N	87.8	Confident	92.3	Very high	77 Å²	77	33.6 Å²	33.6	41%	0.412	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	3.3	176.8	64.8	0.6	0	0	0	114.5	L614 F634 Q638	L614-N636 PolarHBondContact O-ND2 2.86Å; L614-N636 PolarHBondContact O-OD1 2.9Å; F634-N636 VanDerWaalsContact CB-OD1 3.24Å; F634-N636 WeakPolarHBondContact CB-OD1 3.44Å; F634-N636 PolarHBondContact O-N 3.32Å; F634-N636 VanDerWaalsContact O-N 3.08Å; N636-Q638 PolarHBondContact ND2-OE1 2.77Å; N636-Q638 VanDerWaalsContact OD1-CB 3.31Å; N636-Q638 WeakPolarHBondContact OD1-CB 3.46Å; N636-Q638 PolarHBondContact OD1-N 3.13Å
637	G	88.2	Confident	92.5	Very high	3 Å²	3	35.7 Å²	35.7	3%	0.031	19%	0.188	C	C	.	.	S	Bend	trans	83.5	5.7	-177.8	0	0	0	0	0	115.2	F634 S655 C663	F634-G637 PolarHBondContact O-N 2.79Å; F634-G637 VanDerWaalsContact O-N 3.07Å; G637-S655 PolarHBondContact O-N 3.45Å; G637-S655 VanDerWaalsContact O-N 3.09Å; G637-S655 PolarHBondContact O-OG 3.35Å; G637-S655 VanDerWaalsContact O-OG 3.13Å; G637-C663 WeakPolarHBondContact CA-O 3.42Å; G637-C663 PolarHBondContact N-O 3.24Å
638	Q	91.3	Very high	92.8	Very high	44 Å²	44	39.1 Å²	39.1	21%	0.206	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	151.7	168.4	-64.9	-175.7	-24.9	0	0	111	F634 N636	F634-Q638 HydrophobicContact CD2-CB 4.3Å; F634-Q638 PolarHBondContact N-O 2.69Å; N636-Q638 PolarHBondContact ND2-OE1 2.77Å; N636-Q638 VanDerWaalsContact OD1-CB 3.31Å; N636-Q638 WeakPolarHBondContact OD1-CB 3.46Å; N636-Q638 PolarHBondContact OD1-N 3.13Å
639	I	94.9	Very high	92.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	121	174.1	-40.2	168.8	0	0	0	107.9	V631 T632 M653 I665 V668 T679 F689	V631-I639 HydrophobicContact CG2-CG2 3.47Å; V631-I639 VanDerWaalsContact CG2-CG2 3.47Å; T632-I639 CarbonylContact O-C 3.46Å; T632-I639 WeakPolarHBondContact O-CA 3.48Å; T632-I639 WeakPolarHBondContact O-CG2 3.49Å; I639-M653 HydrophobicContact CB-CB 4.21Å; I639-M653 HydrophobicContact CB-CE 4Å; I639-M653 HydrophobicContact CD1-CB 4.44Å; I639-M653 HydrophobicContact CD1-CE 4.38Å; I639-M653 HydrophobicContact CG2-CE 3.75Å; I639-M653 PolarHBondContact N-O 3.02Å; I639-M653 PolarHBondContact O-N 3.25Å; I639-I665 HydrophobicContact CD1-CD1 4.22Å; I639-I665 HydrophobicContact CG1-CD1 3.68Å; I639-V668 HydrophobicContact CG2-CG2 4.49Å; I639-T679 HydrophobicContact CD1-CG2 3.63Å; I639-T679 HydrophobicContact CG1-CG2 4.41Å; I639-F689 HydrophobicContact CD1-CD2 3.74Å; I639-F689 HydrophobicContact CD1-CE1 4.38Å; I639-F689 HydrophobicContact CD1-CE2 3.54Å; I639-F689 HydrophobicContact CD1-CG 4.26Å; I639-F689 HydrophobicContact CD1-CZ 3.89Å
640	G	94.4	Very high	92.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	124.8	177.6	0	0	0	0	0	111.8	V631 T632	V631-G640 WeakPolarHBondContact CA-O 3.49Å; T632-G640 PolarHBondContact N-O 2.89Å; T632-G640 PolarHBondContact O-N 3.4Å
641	L	95.8	Very high	92.8	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	119.2	167.3	-166	76.8	0	0	0	108.3	V623 L630 V631 V650 L651	V623-L641 HydrophobicContact CG2-CD1 3.66Å; L630-L641 WeakPolarHBondContact O-CA 3.09Å; V631-L641 HydrophobicContact CB-CD1 4.13Å; V631-L641 HydrophobicContact CG2-CD1 4.41Å; L641-V650 HydrophobicContact CD2-CB 4.32Å; L641-V650 HydrophobicContact CD2-CG1 4.28Å; L641-V650 PolarHBondContact O-N 3.17Å; L641-L651 HydrophobicContact CB-CB 3.9Å; L641-L651 HydrophobicContact CD2-CB 3.98Å; L641-L651 HydrophobicContact CD2-CD2 4.2Å; L641-L651 PolarHBondContact N-O 3.43Å; L641-L651 PolarHBondContact O-N 2.92Å
642	F	95.3	Very high	92.6	Very high	11 Å²	11	47.4 Å²	47.4	5%	0.048	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	143	-176.9	-68.4	-96	0	0	0	111.8	F608 L614 H629 L630 T632 F634 Q648 L649	F608-F642 HydrophobicContact CB-CD1 4.44Å; F608-F642 HydrophobicContact CB-CE1 4.43Å; F608-F642 HydrophobicContact CD1-CB 4.04Å; F608-F642 AromaticContact CD1-CD1 3.97Å; F608-F642 HydrophobicContact CD1-CD1 3.97Å; F608-F642 HydrophobicContact CD1-CG 4.16Å; F608-F642 HydrophobicContact CE1-CB 4.28Å; L614-F642 HydrophobicContact CD1-CE2 4.18Å; L614-F642 HydrophobicContact CD1-CZ 3.62Å; H629-F642 CarbonylContact C-O 3.43Å; H629-F642 VanDerWaalsContact CA-O 3.3Å; H629-F642 WeakPolarHBondContact CA-O 3.48Å; L630-F642 HydrophobicContact CD1-CB 3.85Å; L630-F642 HydrophobicContact CD1-CD2 3.86Å; L630-F642 HydrophobicContact CD1-CG 4.26Å; L630-F642 HydrophobicContact CG-CB 4Å; L630-F642 PolarHBondContact N-O 3.4Å; L630-F642 PolarHBondContact O-N 2.86Å; T632-F642 HydrophobicContact CG2-CD2 3.91Å; T632-F642 HydrophobicContact CG2-CE2 3.65Å; F634-F642 HydrophobicContact CZ-CE2 4.37Å; F642-Q648 WeakPolarHBondContact CA-O 3.28Å; F642-L649 HydrophobicContact CD1-CB 4.15Å; F642-L649 HydrophobicContact CD1-CD1 4.29Å; F642-L649 HydrophobicContact CD2-CD1 4.21Å; F642-L649 HydrophobicContact CE1-CB 3.89Å; F642-L649 HydrophobicContact CE1-CD1 3.93Å; F642-L649 HydrophobicContact CE2-CD1 3.84Å; F642-L649 HydrophobicContact CG-CD1 4.43Å; F642-L649 HydrophobicContact CZ-CB 4.47Å; F642-L649 HydrophobicContact CZ-CD1 3.7Å
643	N	93.7	Very high	92.3	Very high	25 Å²	25	47.5 Å²	47.5	13%	0.134	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	125.8	167.3	-177.1	-70.8	0	0	0	110.2	H629 E645 T646 R647 Q648 V650	H629-N643 PolarHBondContact CD2-ND2 3.26Å; H629-N643 PolarHBondContact NE2-ND2 3.01Å; N643-E645 PolarHBondContact O-N 2.97Å; N643-E645 PolarHBondContact OD1-N 3.27Å; N643-T646 WeakPolarHBondContact CB-OG1 3.43Å; N643-T646 PolarHBondContact OD1-N 3.25Å; N643-T646 PolarHBondContact OD1-OG1 3.07Å; N643-R647 WeakPolarHBondContact O-CA 3.32Å; N643-R647 PolarHBondContact O-N 2.87Å; N643-Q648 PolarHBondContact N-O 2.85Å; N643-V650 HydrophobicContact CB-CG2 3.79Å
644	M	91.6	Very high	91.7	Very high	18 Å²	18	52.3 Å²	52.3	9%	0.089	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-27.4	-173	-68.1	-168.9	-77.4	0	0	113.6	L585 L595 F608 L622 P627 A628 L630	L585-M644 HydrophobicContact CD1-SD 4.18Å; L585-M644 HydrophobicContact CD2-SD 4.23Å; L585-M644 HydrophobicContact CG-SD 4.48Å; L595-M644 HydrophobicContact CD1-SD 4.05Å; L595-M644 HydrophobicContact CD2-CB 4.48Å; F608-M644 HydrophobicContact CZ-CB 4.41Å; F608-M644 HydrophobicContact CZ-CG 4.25Å; L622-M644 HydrophobicContact CD2-CE 3.73Å; L622-M644 HydrophobicContact CD2-SD 4.02Å; P627-M644 WeakPolarHBondContact O-CE 3.46Å; A628-M644 WeakPolarHBondContact O-CB 3.33Å; A628-M644 PolarHBondContact O-N 2.89Å; L630-M644 HydrophobicContact CB-CG 4.28Å; L630-M644 HydrophobicContact CB-SD 4.3Å; L630-M644 HydrophobicContact CD2-CG 3.87Å; L630-M644 HydrophobicContact CD2-SD 4.22Å; L630-M644 HydrophobicContact CG-CG 4.19Å
645	E	89.4	Confident	90.5	Very high	167 Å²	167	52.7 Å²	52.7	78%	0.78	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-50.2	179.8	-172.3	64.4	-159	0	0	110.8	N643	N643-E645 PolarHBondContact O-N 2.97Å; N643-E645 PolarHBondContact OD1-N 3.27Å
646	T	91.1	Very high	88.9	Confident	78 Å²	78	55 Å²	55	48%	0.479	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-16.4	-178.6	71.8	0	0	0	0	113.7	N643 Q648	N643-T646 WeakPolarHBondContact CB-OG1 3.43Å; N643-T646 PolarHBondContact OD1-N 3.25Å; N643-T646 PolarHBondContact OD1-OG1 3.07Å; T646-Q648 PolarHBondContact O-N 3Å; T646-Q648 PolarHBondContact OG1-N 3.01Å
647	R	91.7	Very high	87.3	Confident	129 Å²	129	55.4 Å²	55.4	49%	0.487	28%	0.282	S	S	.	.			trans	62.9	12.6	-174.4	-47.7	177	-169	-151.1	-8.2	114.7	L605 A606 F608 N643	L605-R647 PolarHBondContact O-NH2 2.8Å; A606-R647 HydrophobicContact CB-CG 4.27Å; F608-R647 HydrophobicContact CE1-CB 4.32Å; F608-R647 HydrophobicContact CE1-CG 4.47Å; N643-R647 WeakPolarHBondContact O-CA 3.32Å; N643-R647 PolarHBondContact O-N 2.87Å
648	Q	91.1	Very high	85.8	Confident	133 Å²	133	62.4 Å²	62.4	62%	0.621	31%	0.314	S	S	*	.			trans	-87.9	144.7	-177.8	-64.5	-179.6	-1.7	0	0	111.4	F642 N643 T646 V650	F642-Q648 WeakPolarHBondContact CA-O 3.28Å; N643-Q648 PolarHBondContact N-O 2.85Å; T646-Q648 PolarHBondContact O-N 3Å; T646-Q648 PolarHBondContact OG1-N 3.01Å; Q648-V650 PolarHBondContact O-N 3.14Å
649	L	93.6	Very high	83.7	Confident	76 Å²	76	67 Å²	67	40%	0.398	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	114	164.8	-178.2	71.6	0	0	0	107.6	L614 F642 L651	L614-L649 HydrophobicContact CD1-CD1 4.43Å; F642-L649 HydrophobicContact CD1-CB 4.15Å; F642-L649 HydrophobicContact CD1-CD1 4.29Å; F642-L649 HydrophobicContact CD2-CD1 4.21Å; F642-L649 HydrophobicContact CE1-CB 3.89Å; F642-L649 HydrophobicContact CE1-CD1 3.93Å; F642-L649 HydrophobicContact CE2-CD1 3.84Å; F642-L649 HydrophobicContact CG-CD1 4.43Å; F642-L649 HydrophobicContact CZ-CB 4.47Å; F642-L649 HydrophobicContact CZ-CD1 3.7Å; L649-L651 WeakPolarHBondContact CD1-O 3.4Å
650	V	93.8	Very high	81.7	Confident	79 Å²	79	70.8 Å²	70.8	48%	0.479	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	-42	178.8	179.6	0	0	0	0	110	L641 N643 Q648	L641-V650 HydrophobicContact CD2-CB 4.32Å; L641-V650 HydrophobicContact CD2-CG1 4.28Å; L641-V650 PolarHBondContact O-N 3.17Å; N643-V650 HydrophobicContact CB-CG2 3.79Å; Q648-V650 PolarHBondContact O-N 3.14Å
651	L	93.1	Very high	80.1	Confident	35 Å²	35	74.2 Å²	74.2	18%	0.183	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	138.5	-172.9	-179.5	64.9	0	0	0	109.8	L641 L649 M653 N691	L641-L651 HydrophobicContact CB-CB 3.9Å; L641-L651 HydrophobicContact CD2-CB 3.98Å; L641-L651 HydrophobicContact CD2-CD2 4.2Å; L641-L651 PolarHBondContact N-O 3.43Å; L641-L651 PolarHBondContact O-N 2.92Å; L649-L651 WeakPolarHBondContact CD1-O 3.4Å; L651-M653 HydrophobicContact CD2-CG 4.17Å; L651-M653 HydrophobicContact CD2-SD 4.17Å; L651-M653 HydrophobicContact CG-CG 4.05Å; L651-N691 WeakPolarHBondContact CD2-O 3.43Å
652	S	91.8	Very high	78.4	Confident	55 Å²	55	79.4 Å²	79.4	39%	0.385	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	131.8	169.6	-164.4	0	0	0	0	108.3
653	M	90.6	Very high	77.3	Confident	2 Å²	2	79.6 Å²	79.6	1%	0.01	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	144.3	176.6	-46.6	-179.6	-74.7	0	0	108.2	V631 I639 L651 T677 F689	V631-M653 HydrophobicContact CG2-CE 4.26Å; I639-M653 HydrophobicContact CB-CB 4.21Å; I639-M653 HydrophobicContact CB-CE 4Å; I639-M653 HydrophobicContact CD1-CB 4.44Å; I639-M653 HydrophobicContact CD1-CE 4.38Å; I639-M653 HydrophobicContact CG2-CE 3.75Å; I639-M653 PolarHBondContact N-O 3.02Å; I639-M653 PolarHBondContact O-N 3.25Å; L651-M653 HydrophobicContact CD2-CG 4.17Å; L651-M653 HydrophobicContact CD2-SD 4.17Å; L651-M653 HydrophobicContact CG-CG 4.05Å; M653-T677 HydrophobicContact CE-CG2 4.36Å; M653-F689 HydrophobicContact CB-CD1 4.21Å; M653-F689 HydrophobicContact CE-CB 4.33Å; M653-F689 HydrophobicContact SD-CB 3.71Å; M653-F689 HydrophobicContact SD-CG 4.34Å
654	E	82.5	Confident	77.1	Confident	101 Å²	101	82.2 Å²	82.2	47%	0.472	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	128.4	-177.2	-66.3	-179.7	160.2	0	0	109	N656	E654-N656 VanDerWaalsContact CB-ND2 3.26Å; E654-N656 WeakPolarHBondContact CB-ND2 3.46Å; E654-N656 PolarHBondContact O-N 2.91Å; E654-N656 PolarHBondContact OE2-ND2 3.09Å
655	S	68.9	Low	77.3	Confident	7 Å²	7	81.4 Å²	81.4	5%	0.049	45%	0.451	C	S	.	.			trans	-78.5	56.9	172.7	67.8	0	0	0	0	111.6	G637 L657 C663 Q681	G637-S655 PolarHBondContact O-N 3.45Å; G637-S655 VanDerWaalsContact O-N 3.09Å; G637-S655 PolarHBondContact O-OG 3.35Å; G637-S655 VanDerWaalsContact O-OG 3.13Å; S655-L657 PolarHBondContact O-N 2.8Å; S655-C663 PolarHBondContact OG-SG 3.12Å; S655-Q681 VanDerWaalsContact CB-NE2 3.31Å; S655-Q681 PolarHBondContact OG-NE2 3.2Å
656	N	57.3	Low	77.6	Confident	114 Å²	114	75 Å²	75	61%	0.61	42%	0.422	S	S	*	.			trans	-56.8	121.3	-176.2	-90.5	-65.6	0	0	0	112.5	E654	E654-N656 VanDerWaalsContact CB-ND2 3.26Å; E654-N656 WeakPolarHBondContact CB-ND2 3.46Å; E654-N656 PolarHBondContact O-N 2.91Å; E654-N656 PolarHBondContact OE2-ND2 3.09Å
657	L	54.1	Low	77.9	Confident	85 Å²	85	73.8 Å²	73.8	45%	0.445	41%	0.41	S	S	.	.			trans	-141.6	152.6	158.1	-74.7	179	0	0	0	107.6	S655	S655-L657 PolarHBondContact O-N 2.8Å
658	E	55.3	Low	78.1	Confident	150 Å²	150	67.7 Å²	67.7	70%	0.701	39%	0.387	S	S	*	.	S	Bend	trans	2.4	111.7	171.9	-66.8	-59.1	127.2	0	0	117.2	G660 T661	E658-G660 PolarHBondContact O-N 3.35Å; E658-T661 PolarHBondContact O-N 3.12Å; E658-T661 PolarHBondContact O-OG1 3.07Å
659	P	48.3	Very low	78.4	Confident	140 Å²	140	62.5 Å²	62.5	91%	0.909	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	112.5	-179.3	-28.6	35.7	0	0	0	113.4
660	G	53.4	Low	78.5	Confident	80 Å²	80	59.2 Å²	59.2	83%	0.825	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	120.4	-13.7	-175.4	0	0	0	0	0	114.2	E658 P662	E658-G660 PolarHBondContact O-N 3.35Å; G660-P662 WeakPolarHBondContact O-CD 3.44Å
661	T	60.5	Low	78.6	Confident	71 Å²	71	56 Å²	56	44%	0.436	33%	0.327	S	S	.	.			trans	-81.2	120.4	175.6	-44.9	0	0	0	0	110.9	E658 C663	E658-T661 PolarHBondContact O-N 3.12Å; E658-T661 PolarHBondContact O-OG1 3.07Å; T661-C663 PolarHBondContact O-N 2.88Å; T661-C663 VanDerWaalsContact O-N 3.07Å
662	P	58.6	Low	78.5	Confident	112 Å²	112	56 Å²	56	73%	0.727	33%	0.329	S	S	*	.			trans	-73	101.4	178.5	28.9	-33.7	0	0	0	111.1	G660 Q664	G660-P662 WeakPolarHBondContact O-CD 3.44Å; P662-Q664 PolarHBondContact O-N 2.88Å
663	C	74	Confident	78.4	Confident	14 Å²	14	58 Å²	58	10%	0.095	34%	0.339	C	S	.	.			trans	-94.5	64.8	-175.3	-151.8	0	0	0	0	112.3	G637 S655 T661 Q681	G637-C663 WeakPolarHBondContact CA-O 3.42Å; G637-C663 PolarHBondContact N-O 3.24Å; S655-C663 PolarHBondContact OG-SG 3.12Å; T661-C663 PolarHBondContact O-N 2.88Å; T661-C663 VanDerWaalsContact O-N 3.07Å; C663-Q681 PolarHBondContact SG-NE2 2.9Å
664	Q	89.3	Confident	78.5	Confident	81 Å²	81	61.9 Å²	61.9	38%	0.379	36%	0.359	S	S	.	.			trans	-67.4	133.2	176.5	178.7	176.5	-60.4	0	0	111.2	P662 N666 Q681 E682	P662-Q664 PolarHBondContact O-N 2.88Å; Q664-N666 PolarHBondContact NE2-OD1 2.86Å; Q664-Q681 WeakPolarHBondContact O-CA 3.32Å; Q664-Q681 WeakPolarHBondContact O-CB 3.32Å; Q664-E682 HydrophobicContact CB-CB 4.03Å; Q664-E682 PolarHBondContact O-N 3.17Å
665	I	94.7	Very high	79.1	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	124.8	172.7	-61.1	161.3	0	0	0	108.8	S618 S633 I639 T679 Q681	S618-I665 WeakPolarHBondContact CB-O 3.38Å; S618-I665 PolarHBondContact OG-O 3.24Å; S633-I665 VanDerWaalsContact CB-CG2 3.42Å; S633-I665 WeakPolarHBondContact OG-CG2 3.37Å; I639-I665 HydrophobicContact CD1-CD1 4.22Å; I639-I665 HydrophobicContact CG1-CD1 3.68Å; I665-T679 HydrophobicContact CD1-CG2 4.3Å; I665-T679 HydrophobicContact CG2-CG2 3.96Å; I665-Q681 HydrophobicContact CG1-CG 4Å
666	N	95.6	Very high	80.3	Confident	34 Å²	34	60.4 Å²	60.4	18%	0.182	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-35.4	-178.2	-64.3	-30.9	0	0	0	112.7	Q664 A680 E682 V707	Q664-N666 PolarHBondContact NE2-OD1 2.86Å; N666-A680 PolarHBondContact N-O 3.24Å; N666-E682 PolarHBondContact ND2-OE2 3.49Å; N666-V707 WeakPolarHBondContact CB-O 3.21Å; N666-V707 PolarHBondContact ND2-O 3.01Å
667	K	97.3	Very high	82.2	Confident	51 Å²	51	55 Å²	55	22%	0.222	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	136.3	177.5	-156.3	92.4	171.2	-160.8	0	110.4	T679 A680 S709 D755	K667-T679 WeakPolarHBondContact O-CA 3.47Å; K667-A680 HydrophobicContact CB-CB 4.18Å; K667-A680 PolarHBondContact O-N 3.23Å; K667-S709 WeakPolarHBondContact CE-OG 3.16Å; K667-S709 PolarHBondContact NZ-OG 2.95Å; K667-D755 IonicContact NZ-OD1 3.2Å; K667-D755 PolarHBondContact NZ-OD1 3Å
668	V	97.2	Very high	84.3	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.006	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	144.7	165.7	73.4	0	0	0	0	109.2	S619 D621 V631 I639 T677 I678 T679	S619-V668 PolarHBondContact OG-N 3.27Å; D621-V668 HydrophobicContact CB-CG1 4.27Å; V631-V668 HydrophobicContact CG1-CG1 4.44Å; V631-V668 HydrophobicContact CG1-CG2 3.97Å; V631-V668 HydrophobicContact CG2-CG2 4.15Å; I639-V668 HydrophobicContact CG2-CG2 4.49Å; V668-T677 HydrophobicContact CG2-CG2 3.45Å; V668-T677 VanDerWaalsContact CG2-CG2 3.45Å; V668-I678 CarbonylContact C-O 3.46Å; V668-I678 WeakPolarHBondContact CA-O 3.38Å; V668-T679 HydrophobicContact CB-CG2 4.5Å; V668-T679 HydrophobicContact CG2-CG2 4.05Å
669	L	96.6	Very high	86.3	Confident	25 Å²	25	43.8 Å²	43.8	13%	0.131	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	149.4	169.2	-70.6	-177.8	0	0	0	110.5	D621 T677 I678 L710 V712	D621-L669 VanDerWaalsContact OD2-CA 3.31Å; D621-L669 WeakPolarHBondContact OD2-CA 3.49Å; L669-T677 CarbonylContact O-C 3.55Å; L669-T677 WeakPolarHBondContact O-CA 3.16Å; L669-I678 PolarHBondContact N-O 3.31Å; L669-I678 PolarHBondContact O-N 2.89Å; L669-L710 HydrophobicContact CD1-CB 3.52Å; L669-L710 HydrophobicContact CG-CB 4.17Å; L669-V712 HydrophobicContact CD1-CG2 3.92Å
670	S	95.6	Very high	88.6	Confident	6 Å²	6	37.1 Å²	37.1	4%	0.042	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	144.1	162.1	-60.9	0	0	0	0	110.6	D621 L622	D621-S670 PolarHBondContact OD2-N 2.99Å; L622-S670 WeakPolarHBondContact O-CB 3.44Å; L622-S670 PolarHBondContact O-OG 3.4Å; L622-S670 VanDerWaalsContact O-OG 3.13Å
671	H	95.8	Very high	90.5	Very high	12 Å²	12	33.3 Å²	33.3	6%	0.056	19%	0.19	C	C	.	.			trans	-68.3	138.6	168.8	-172.7	-70	0	0	0	110.1	T673 L674 I676 G716	H671-T673 PolarHBondContact CE1-OG1 2.82Å; H671-T673 VanDerWaalsContact CE1-OG1 3.24Å; H671-T673 PolarHBondContact ND1-N 3.45Å; H671-T673 PolarHBondContact ND1-OG1 3.42Å; H671-T673 PolarHBondContact O-N 2.95Å; H671-L674 HydrophobicContact CB-CB 4.31Å; H671-L674 PolarHBondContact ND1-N 3.44Å; H671-I676 HydrophobicContact CB-CB 4.09Å; H671-I676 WeakPolarHBondContact CB-O 3.47Å; H671-I676 PolarHBondContact N-O 3.44Å; H671-G716 PolarHBondContact NE2-O 2.78Å; H671-G716 VanDerWaalsContact NE2-O 3.14Å
672	P	91.8	Very high	92.1	Very high	34 Å²	34	33.7 Å²	33.7	22%	0.221	19%	0.187	C	C	.	.	S	Bend	trans	-64.4	-34.1	-170.9	21.3	-33.2	0	0	0	114.5	C624 V712	C624-P672 VanDerWaalsContact CB-O 3.32Å; C624-P672 WeakPolarHBondContact CB-O 3.49Å; P672-V712 HydrophobicContact CG-CG1 4.08Å
673	T	90	Very high	93.7	Very high	97 Å²	97	29.6 Å²	29.6	60%	0.595	16%	0.159	S	C	*	.	S	Bend	trans	-113.3	-43.7	-179.5	53.2	0	0	0	0	115.1	H671	H671-T673 PolarHBondContact CE1-OG1 2.82Å; H671-T673 VanDerWaalsContact CE1-OG1 3.24Å; H671-T673 PolarHBondContact ND1-N 3.45Å; H671-T673 PolarHBondContact ND1-OG1 3.42Å; H671-T673 PolarHBondContact O-N 2.95Å
674	L	92.8	Very high	94.6	Very high	84 Å²	84	34.7 Å²	34.7	44%	0.44	18%	0.176	S	C	.	.	S	Bend	trans	-76.7	151.6	178	-55.9	176.4	0	0	0	112.6	S625 H671 I676	S625-L674 PolarHBondContact OG-O 2.94Å; H671-L674 HydrophobicContact CB-CB 4.31Å; H671-L674 PolarHBondContact ND1-N 3.44Å; L674-I676 HydrophobicContact CB-CD1 3.97Å; L674-I676 HydrophobicContact CB-CG1 4.03Å; L674-I676 HydrophobicContact CD1-CD1 3.88Å; L674-I676 PolarHBondContact O-N 3.06Å
675	P	94.1	Very high	94.9	Very high	47 Å²	47	32.6 Å²	32.6	31%	0.305	17%	0.166	S	C	.	.	S	Bend	trans	-80.7	60.8	174.3	35.1	-36.7	0	0	0	111.3	N691 N692	P675-N691 HydrophobicContact CB-CB 4.29Å; P675-N691 WeakPolarHBondContact O-CB 3.35Å; P675-N691 PolarHBondContact O-N 3.43Å; P675-N692 VanDerWaalsContact CG-ND2 3.33Å; P675-N692 WeakPolarHBondContact CG-ND2 3.31Å
676	I	94.8	Very high	95	Very high	30 Å²	30	32.6 Å²	32.6	15%	0.154	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	129.7	-175.2	-62.4	177.1	0	0	0	110.1	H671 L674 I678 F688 F689 I697	H671-I676 HydrophobicContact CB-CB 4.09Å; H671-I676 WeakPolarHBondContact CB-O 3.47Å; H671-I676 PolarHBondContact N-O 3.44Å; L674-I676 HydrophobicContact CB-CD1 3.97Å; L674-I676 HydrophobicContact CB-CG1 4.03Å; L674-I676 HydrophobicContact CD1-CD1 3.88Å; L674-I676 PolarHBondContact O-N 3.06Å; I676-I678 HydrophobicContact CG2-CG1 4.33Å; I676-F688 HydrophobicContact CG2-CB 4.41Å; I676-F688 HydrophobicContact CG2-CD1 4.21Å; I676-F689 WeakPolarHBondContact CA-O 3.16Å; I676-I697 HydrophobicContact CD1-CD1 4.07Å; I676-I697 HydrophobicContact CG1-CD1 3.96Å; I676-I697 HydrophobicContact CG2-CD1 4.22Å
677	T	96.9	Very high	95	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	139.5	167.5	-63.2	0	0	0	0	109.9	V631 M653 V668 L669 T679 F688 F689 N691	V631-T677 HydrophobicContact CG2-CG2 3.96Å; M653-T677 HydrophobicContact CE-CG2 4.36Å; V668-T677 HydrophobicContact CG2-CG2 3.45Å; V668-T677 VanDerWaalsContact CG2-CG2 3.45Å; L669-T677 CarbonylContact O-C 3.55Å; L669-T677 WeakPolarHBondContact O-CA 3.16Å; T677-T679 HydrophobicContact CG2-CG2 4.39Å; T677-F688 CarbonylContact O-C 3.55Å; T677-F688 WeakPolarHBondContact O-CA 3.25Å; T677-F689 PolarHBondContact N-O 3.24Å; T677-F689 PolarHBondContact O-N 3.32Å; T677-N691 WeakPolarHBondContact CB-OD1 3.39Å; T677-N691 PolarHBondContact N-OD1 3.28Å; T677-N691 PolarHBondContact OG1-OD1 3.08Å
678	I	97.4	Very high	95	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	130.9	178	-46	177.8	0	0	0	108.1	V668 L669 I676 I686 K687 F688 L710 V712 L719 L733	V668-I678 CarbonylContact C-O 3.46Å; V668-I678 WeakPolarHBondContact CA-O 3.38Å; L669-I678 PolarHBondContact N-O 3.31Å; L669-I678 PolarHBondContact O-N 2.89Å; I676-I678 HydrophobicContact CG2-CG1 4.33Å; I678-I686 HydrophobicContact CG2-CG2 3.58Å; I678-K687 WeakPolarHBondContact CA-O 3.42Å; I678-F688 HydrophobicContact CB-CD1 4.49Å; I678-F688 HydrophobicContact CD1-CD1 4.23Å; I678-F688 HydrophobicContact CD1-CE1 3.84Å; I678-F688 HydrophobicContact CG1-CD1 3.83Å; I678-F688 HydrophobicContact CG1-CE1 3.91Å; I678-F688 HydrophobicContact CG2-CD1 4.17Å; I678-F688 HydrophobicContact CG2-CE1 3.89Å; I678-F688 HydrophobicContact CG2-CZ 4.23Å; I678-L710 HydrophobicContact CB-CD1 4.46Å; I678-L710 HydrophobicContact CG2-CD1 3.82Å; I678-V712 HydrophobicContact CD1-CG2 3.93Å; I678-L719 HydrophobicContact CD1-CD1 4.24Å; I678-L719 HydrophobicContact CG2-CD1 4.47Å; I678-L719 HydrophobicContact CG2-CD2 4.21Å; I678-L733 HydrophobicContact CD1-CD2 4.08Å
679	T	97.3	Very high	94.9	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	135.1	178.1	55.9	0	0	0	0	112.4	I639 I665 K667 V668 T677 I686 K687 F689	I639-T679 HydrophobicContact CD1-CG2 3.63Å; I639-T679 HydrophobicContact CG1-CG2 4.41Å; I665-T679 HydrophobicContact CD1-CG2 4.3Å; I665-T679 HydrophobicContact CG2-CG2 3.96Å; K667-T679 WeakPolarHBondContact O-CA 3.47Å; V668-T679 HydrophobicContact CB-CG2 4.5Å; V668-T679 HydrophobicContact CG2-CG2 4.05Å; T677-T679 HydrophobicContact CG2-CG2 4.39Å; T679-I686 WeakPolarHBondContact O-CA 3.28Å; T679-K687 PolarHBondContact N-O 3.44Å; T679-K687 PolarHBondContact O-N 3.43Å; T679-K687 PolarHBondContact OG1-O 2.89Å; T679-F689 HydrophobicContact CG2-CE2 4.32Å
680	A	96.8	Very high	94.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	136.7	165.3	0	0	0	0	0	110.4	N666 K667 V707 L710	N666-A680 PolarHBondContact N-O 3.24Å; K667-A680 HydrophobicContact CB-CB 4.18Å; K667-A680 PolarHBondContact O-N 3.23Å; A680-V707 HydrophobicContact CB-CB 3.72Å; A680-V707 HydrophobicContact CB-CG1 3.48Å; A680-V707 VanDerWaalsContact CB-CG1 3.48Å; A680-L710 HydrophobicContact CB-CD1 3.79Å; A680-L710 HydrophobicContact CB-CD2 4Å; A680-L710 HydrophobicContact CB-CG 3.63Å
681	Q	94.6	Very high	94.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	157.5	-170.1	-60.8	-164	-65.8	0	0	113.8	S655 C663 Q664 I665 D683 R684 H685 V707	S655-Q681 VanDerWaalsContact CB-NE2 3.31Å; S655-Q681 PolarHBondContact OG-NE2 3.2Å; C663-Q681 PolarHBondContact SG-NE2 2.9Å; Q664-Q681 WeakPolarHBondContact O-CA 3.32Å; Q664-Q681 WeakPolarHBondContact O-CB 3.32Å; I665-Q681 HydrophobicContact CG1-CG 4Å; Q681-D683 WeakPolarHBondContact CB-OD1 3.23Å; Q681-D683 PolarHBondContact O-N 3.41Å; Q681-R684 PolarHBondContact O-N 3.04Å; Q681-H685 PolarHBondContact N-O 3.1Å; Q681-V707 PolarHBondContact O-N 3.18Å
682	E	93.6	Very high	94.6	Very high	80 Å²	80	34.3 Å²	34.3	37%	0.374	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-29.3	176.5	-156.3	65.7	-167.2	0	0	112.1	Q664 N666 R684 A706	Q664-E682 HydrophobicContact CB-CB 4.03Å; Q664-E682 PolarHBondContact O-N 3.17Å; N666-E682 PolarHBondContact ND2-OE2 3.49Å; E682-R684 PolarHBondContact O-N 2.64Å; E682-A706 VanDerWaalsContact CD-CB 3.46Å; E682-A706 HydrophobicContact CG-CB 4.32Å; E682-A706 WeakPolarHBondContact OE1-CB 3.37Å; E682-A706 WeakPolarHBondContact OE2-CB 3.46Å
683	D	91.1	Very high	94.6	Very high	26 Å²	26	35.5 Å²	35.5	14%	0.139	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	9.1	175.8	77.2	3.5	0	0	0	114.3	Q681 H685 K687	Q681-D683 WeakPolarHBondContact CB-OD1 3.23Å; Q681-D683 PolarHBondContact O-N 3.41Å; D683-H685 VanDerWaalsContact C-N 3.27Å; D683-H685 VanDerWaalsContact CG-ND1 3.3Å; D683-H685 PolarHBondContact O-N 3.32Å; D683-H685 PolarHBondContact O-ND1 3.49Å; D683-H685 WeakPolarHBondContact OD1-CB 3.43Å; D683-H685 IonicContact OD1-CG 3.99Å; D683-H685 PolarHBondContact OD1-N 3.2Å; D683-H685 IonicContact OD1-ND1 2.67Å; D683-H685 PolarHBondContact OD1-ND1 2.87Å; D683-H685 IonicContact OD2-ND1 3.59Å; D683-K687 IonicContact OD1-NZ 3.49Å; D683-K687 IonicContact OD2-NZ 3.36Å; D683-K687 PolarHBondContact OD2-NZ 3.43Å
684	R	94.3	Very high	94.6	Very high	120 Å²	120	31.6 Å²	31.6	45%	0.453	17%	0.165	S	C	.	.	S	Bend	trans	73.2	6.3	-179.9	-43.5	170.4	-74.4	-169.1	-3	115.1	Q681 E682 A702 H703 L704	Q681-R684 PolarHBondContact O-N 3.04Å; E682-R684 PolarHBondContact O-N 2.64Å; R684-A702 PolarHBondContact O-N 3.12Å; R684-H703 PolarHBondContact O-N 2.83Å; R684-L704 VanDerWaalsContact CD-C 3.45Å; R684-L704 WeakPolarHBondContact CD-O 3.42Å
685	H	94.8	Very high	94.6	Very high	38 Å²	38	34.6 Å²	34.6	18%	0.176	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	157.5	-179.5	-64.1	72.7	0	0	0	113.8	Q681 D683 K687 S699 M700 V701	Q681-H685 PolarHBondContact N-O 3.1Å; D683-H685 VanDerWaalsContact C-N 3.27Å; D683-H685 VanDerWaalsContact CG-ND1 3.3Å; D683-H685 PolarHBondContact O-N 3.32Å; D683-H685 PolarHBondContact O-ND1 3.49Å; D683-H685 WeakPolarHBondContact OD1-CB 3.43Å; D683-H685 IonicContact OD1-CG 3.99Å; D683-H685 PolarHBondContact OD1-N 3.2Å; D683-H685 IonicContact OD1-ND1 2.67Å; D683-H685 PolarHBondContact OD1-ND1 2.87Å; D683-H685 IonicContact OD2-ND1 3.59Å; H685-K687 HydrophobicContact CB-CG 4.21Å; H685-S699 PolarHBondContact CD2-OG 3.47Å; H685-S699 VanDerWaalsContact CD2-OG 3.32Å; H685-M700 CarbonylContact C-O 3.57Å; H685-M700 WeakPolarHBondContact CA-O 3.32Å; H685-M700 WeakPolarHBondContact CB-O 3.47Å; H685-M700 PolarHBondContact CD2-O 3.02Å; H685-V701 WeakPolarHBondContact NE2-CG2 3.3Å
686	I	97.1	Very high	94.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	125.6	154.9	-65	168.2	0	0	0	107.6	I678 T679 F688 M700 A702 V707 L710 L719	I678-I686 HydrophobicContact CG2-CG2 3.58Å; T679-I686 WeakPolarHBondContact O-CA 3.28Å; I686-F688 HydrophobicContact CG2-CD2 4.41Å; I686-F688 HydrophobicContact CG2-CE2 3.73Å; I686-F688 HydrophobicContact CG2-CZ 3.91Å; I686-M700 HydrophobicContact CB-CG 4Å; I686-M700 HydrophobicContact CB-SD 4.35Å; I686-M700 PolarHBondContact N-O 2.92Å; I686-M700 WeakPolarHBondContact O-CG 3.43Å; I686-M700 PolarHBondContact O-N 3.21Å; I686-A702 HydrophobicContact CB-CB 4.15Å; I686-A702 HydrophobicContact CD1-CB 3.48Å; I686-A702 VanDerWaalsContact CD1-CB 3.48Å; I686-A702 HydrophobicContact CG1-CB 3.52Å; I686-V707 HydrophobicContact CD1-CG1 4.5Å; I686-V707 HydrophobicContact CG1-CG1 4.27Å; I686-V707 HydrophobicContact CG1-CG2 4.5Å; I686-L710 HydrophobicContact CD1-CD2 3.78Å; I686-L710 HydrophobicContact CG1-CD2 4.14Å; I686-L719 HydrophobicContact CD1-CD2 4.06Å; I686-L719 HydrophobicContact CG2-CD2 4.06Å
687	K	95.6	Very high	94.6	Very high	3 Å²	3	39.3 Å²	39.3	1%	0.013	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	144.1	-179.4	-67.3	-174.4	-166.2	143	0	110.5	I678 T679 D683 H685 F689 L696 S699	I678-K687 WeakPolarHBondContact CA-O 3.42Å; T679-K687 PolarHBondContact N-O 3.44Å; T679-K687 PolarHBondContact O-N 3.43Å; T679-K687 PolarHBondContact OG1-O 2.89Å; D683-K687 IonicContact OD1-NZ 3.49Å; D683-K687 IonicContact OD2-NZ 3.36Å; D683-K687 PolarHBondContact OD2-NZ 3.43Å; H685-K687 HydrophobicContact CB-CG 4.21Å; K687-F689 HydrophobicContact CB-CE2 3.76Å; K687-F689 HydrophobicContact CB-CZ 4.21Å; K687-L696 HydrophobicContact CB-CD1 3.7Å; K687-L696 HydrophobicContact CD-CD1 4.17Å; K687-L696 HydrophobicContact CG-CD1 4.07Å; K687-S699 WeakPolarHBondContact CG-OG 3.42Å
688	F	96.4	Very high	94.4	Very high	5 Å²	5	42.6 Å²	42.6	2%	0.022	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	126.2	-175.5	-64	-98.1	0	0	0	109.5	I676 T677 I678 I686 L696 I697 H698 M700 L719 L733 K736	I676-F688 HydrophobicContact CG2-CB 4.41Å; I676-F688 HydrophobicContact CG2-CD1 4.21Å; T677-F688 CarbonylContact O-C 3.55Å; T677-F688 WeakPolarHBondContact O-CA 3.25Å; I678-F688 HydrophobicContact CB-CD1 4.49Å; I678-F688 HydrophobicContact CD1-CD1 4.23Å; I678-F688 HydrophobicContact CD1-CE1 3.84Å; I678-F688 HydrophobicContact CG1-CD1 3.83Å; I678-F688 HydrophobicContact CG1-CE1 3.91Å; I678-F688 HydrophobicContact CG2-CD1 4.17Å; I678-F688 HydrophobicContact CG2-CE1 3.89Å; I678-F688 HydrophobicContact CG2-CZ 4.23Å; I686-F688 HydrophobicContact CG2-CD2 4.41Å; I686-F688 HydrophobicContact CG2-CE2 3.73Å; I686-F688 HydrophobicContact CG2-CZ 3.91Å; F688-L696 CarbonylContact O-C 3.52Å; F688-I697 HydrophobicContact CB-CB 4.42Å; F688-I697 PolarHBondContact O-N 2.92Å; F688-H698 HydrophobicContact CB-CB 4.23Å; F688-H698 HydrophobicContact CD2-CB 4.06Å; F688-H698 AromaticContact CD2-CD2 3.81Å; F688-H698 AromaticContact CE2-CD2 3.94Å; F688-H698 HydrophobicContact CG-CB 4.44Å; F688-H698 PolarHBondContact N-O 2.88Å; F688-H698 PolarHBondContact O-N 3.16Å; F688-M700 HydrophobicContact CE2-CE 4.04Å; F688-M700 HydrophobicContact CE2-CG 4.43Å; F688-M700 HydrophobicContact CE2-SD 4.31Å; F688-L719 HydrophobicContact CZ-CD2 4.21Å; F688-L733 HydrophobicContact CE1-CD2 3.63Å; F688-L733 HydrophobicContact CZ-CD2 4.12Å; F688-K736 HydrophobicContact CE2-CD 4.44Å; F688-K736 HydrophobicContact CZ-CD 4.25Å
689	F	95.8	Very high	94.2	Very high	1 Å²	1	44.8 Å²	44.8	0%	0.004	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	143.4	-178.6	-59.7	-98	0	0	0	111.2	I639 M653 I676 T677 T679 K687 K695 L696	I639-F689 HydrophobicContact CD1-CD2 3.74Å; I639-F689 HydrophobicContact CD1-CE1 4.38Å; I639-F689 HydrophobicContact CD1-CE2 3.54Å; I639-F689 HydrophobicContact CD1-CG 4.26Å; I639-F689 HydrophobicContact CD1-CZ 3.89Å; M653-F689 HydrophobicContact CB-CD1 4.21Å; M653-F689 HydrophobicContact CE-CB 4.33Å; M653-F689 HydrophobicContact SD-CB 3.71Å; M653-F689 HydrophobicContact SD-CG 4.34Å; I676-F689 WeakPolarHBondContact CA-O 3.16Å; T677-F689 PolarHBondContact N-O 3.24Å; T677-F689 PolarHBondContact O-N 3.32Å; T679-F689 HydrophobicContact CG2-CE2 4.32Å; K687-F689 HydrophobicContact CB-CE2 3.76Å; K687-F689 HydrophobicContact CB-CZ 4.21Å; F689-K695 WeakPolarHBondContact CA-O 3.4Å; F689-L696 HydrophobicContact CD1-CB 4.24Å; F689-L696 HydrophobicContact CD1-CD1 4.36Å; F689-L696 HydrophobicContact CE1-CB 4.06Å; F689-L696 HydrophobicContact CE1-CD1 3.93Å; F689-L696 HydrophobicContact CE2-CD1 4.19Å; F689-L696 HydrophobicContact CZ-CD1 3.84Å
690	D	94.4	Very high	94.1	Very high	34 Å²	34	45.8 Å²	45.8	18%	0.182	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	120.9	173	163.7	39.6	0	0	0	110.1	N692 S693 G694 K695 I697	D690-N692 PolarHBondContact O-N 3.17Å; D690-N692 WeakPolarHBondContact OD1-CB 3.39Å; D690-N692 PolarHBondContact OD1-N 3.34Å; D690-N692 PolarHBondContact OD1-ND2 2.95Å; D690-S693 PolarHBondContact O-N 3.48Å; D690-S693 WeakPolarHBondContact OD2-CB 3.47Å; D690-S693 PolarHBondContact OD2-N 2.89Å; D690-S693 PolarHBondContact OD2-OG 2.88Å; D690-G694 WeakPolarHBondContact O-CA 3.39Å; D690-G694 PolarHBondContact O-N 3.01Å; D690-K695 PolarHBondContact N-O 3.23Å; D690-I697 HydrophobicContact CB-CD1 3.86Å; D690-I697 HydrophobicContact CB-CG1 3.85Å
691	N	93.9	Very high	94	Very high	9 Å²	9	50.2 Å²	50.2	5%	0.048	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-12	-178	-62.8	1.8	0	0	0	113	L651 P675 T677	L651-N691 WeakPolarHBondContact CD2-O 3.43Å; P675-N691 HydrophobicContact CB-CB 4.29Å; P675-N691 WeakPolarHBondContact O-CB 3.35Å; P675-N691 PolarHBondContact O-N 3.43Å; T677-N691 WeakPolarHBondContact CB-OD1 3.39Å; T677-N691 PolarHBondContact N-OD1 3.28Å; T677-N691 PolarHBondContact OG1-OD1 3.08Å
692	N	92.9	Very high	94.1	Very high	113 Å²	113	50.2 Å²	50.2	60%	0.604	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-43.2	178.3	-55.9	-91	0	0	0	112.5	P675 D690	P675-N692 VanDerWaalsContact CG-ND2 3.33Å; P675-N692 WeakPolarHBondContact CG-ND2 3.31Å; D690-N692 PolarHBondContact O-N 3.17Å; D690-N692 WeakPolarHBondContact OD1-CB 3.39Å; D690-N692 PolarHBondContact OD1-N 3.34Å; D690-N692 PolarHBondContact OD1-ND2 2.95Å
693	S	92.3	Very high	94.2	Very high	59 Å²	59	46.4 Å²	46.4	41%	0.413	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-10.4	-176.2	69.5	0	0	0	0	115.1	D690 K695	D690-S693 PolarHBondContact O-N 3.48Å; D690-S693 WeakPolarHBondContact OD2-CB 3.47Å; D690-S693 PolarHBondContact OD2-N 2.89Å; D690-S693 PolarHBondContact OD2-OG 2.88Å; S693-K695 PolarHBondContact O-N 3.47Å
694	G	90.9	Very high	94.4	Very high	14 Å²	14	51 Å²	51	14%	0.144	27%	0.265	C	S	.	.			trans	72.6	8.4	-178.7	0	0	0	0	0	115.1	D690	D690-G694 WeakPolarHBondContact O-CA 3.39Å; D690-G694 PolarHBondContact O-N 3.01Å
695	K	92.1	Very high	94.5	Very high	147 Å²	147	47.5 Å²	47.5	64%	0.639	26%	0.255	S	S	*	.			trans	-89.3	143.5	-174.2	-65.7	-179.7	-179.6	-179.4	0	111.6	F689 D690 S693 I697	F689-K695 WeakPolarHBondContact CA-O 3.4Å; D690-K695 PolarHBondContact N-O 3.23Å; S693-K695 PolarHBondContact O-N 3.47Å; K695-I697 PolarHBondContact O-N 2.87Å
696	L	93.9	Very high	94.5	Very high	82 Å²	82	45.8 Å²	45.8	43%	0.429	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	113.1	164.5	-176.8	70.3	0	0	0	109.1	K687 F688 F689 H698	K687-L696 HydrophobicContact CB-CD1 3.7Å; K687-L696 HydrophobicContact CD-CD1 4.17Å; K687-L696 HydrophobicContact CG-CD1 4.07Å; F688-L696 CarbonylContact O-C 3.52Å; F689-L696 HydrophobicContact CD1-CB 4.24Å; F689-L696 HydrophobicContact CD1-CD1 4.36Å; F689-L696 HydrophobicContact CE1-CB 4.06Å; F689-L696 HydrophobicContact CE1-CD1 3.93Å; F689-L696 HydrophobicContact CE2-CD1 4.19Å; F689-L696 HydrophobicContact CZ-CD1 3.84Å; L696-H698 WeakPolarHBondContact CD1-O 3.34Å
697	I	94	Very high	94.6	Very high	95 Å²	95	45.8 Å²	45.8	49%	0.487	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	-44.6	174.5	-49.8	171	0	0	0	109.7	I676 F688 D690 K695	I676-I697 HydrophobicContact CD1-CD1 4.07Å; I676-I697 HydrophobicContact CG1-CD1 3.96Å; I676-I697 HydrophobicContact CG2-CD1 4.22Å; F688-I697 HydrophobicContact CB-CB 4.42Å; F688-I697 PolarHBondContact O-N 2.92Å; D690-I697 HydrophobicContact CB-CD1 3.86Å; D690-I697 HydrophobicContact CB-CG1 3.85Å; K695-I697 PolarHBondContact O-N 2.87Å
698	H	93.7	Very high	94.6	Very high	68 Å²	68	46.4 Å²	46.4	32%	0.315	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	149.8	-169.6	-173.3	69.7	0	0	0	111.4	F688 L696	F688-H698 HydrophobicContact CB-CB 4.23Å; F688-H698 HydrophobicContact CD2-CB 4.06Å; F688-H698 AromaticContact CD2-CD2 3.81Å; F688-H698 AromaticContact CE2-CD2 3.94Å; F688-H698 HydrophobicContact CG-CB 4.44Å; F688-H698 PolarHBondContact N-O 2.88Å; F688-H698 PolarHBondContact O-N 3.16Å; L696-H698 WeakPolarHBondContact CD1-O 3.34Å
699	S	93.8	Very high	94.7	Very high	46 Å²	46	46.1 Å²	46.1	32%	0.322	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	137.3	174.9	-177.5	0	0	0	0	108.5	H685 K687	H685-S699 PolarHBondContact CD2-OG 3.47Å; H685-S699 VanDerWaalsContact CD2-OG 3.32Å; K687-S699 WeakPolarHBondContact CG-OG 3.42Å
700	M	94.9	Very high	94.8	Very high	21 Å²	21	46.2 Å²	46.2	10%	0.103	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	138.9	176.8	55	171.6	59.5	0	0	110.5	H685 I686 F688 A702 W731 K736	H685-M700 CarbonylContact C-O 3.57Å; H685-M700 WeakPolarHBondContact CA-O 3.32Å; H685-M700 WeakPolarHBondContact CB-O 3.47Å; H685-M700 PolarHBondContact CD2-O 3.02Å; I686-M700 HydrophobicContact CB-CG 4Å; I686-M700 HydrophobicContact CB-SD 4.35Å; I686-M700 PolarHBondContact N-O 2.92Å; I686-M700 WeakPolarHBondContact O-CG 3.43Å; I686-M700 PolarHBondContact O-N 3.21Å; F688-M700 HydrophobicContact CE2-CE 4.04Å; F688-M700 HydrophobicContact CE2-CG 4.43Å; F688-M700 HydrophobicContact CE2-SD 4.31Å; M700-A702 PolarHBondContact O-N 3.38Å; M700-W731 HydrophobicContact CE-CE3 4.33Å; M700-W731 HydrophobicContact SD-CD2 4.24Å; M700-W731 HydrophobicContact SD-CE3 3.78Å; M700-W731 HydrophobicContact SD-CH2 4.32Å; M700-W731 HydrophobicContact SD-CZ3 3.82Å; M700-K736 HydrophobicContact CE-CB 3.66Å; M700-K736 HydrophobicContact CE-CD 4.16Å; M700-K736 HydrophobicContact CE-CG 4.32Å; M700-K736 WeakPolarHBondContact CE-O 3.29Å
701	V	94.9	Very high	94.9	Very high	93 Å²	93	45.1 Å²	45.1	56%	0.564	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-69.8	108	164.8	-179.5	0	0	0	0	106.8	H685	H685-V701 WeakPolarHBondContact NE2-CG2 3.3Å
702	A	95.2	Very high	95.1	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.252	C	S	.	.			trans	-93.2	-33.2	-169.9	0	0	0	0	0	112.6	R684 I686 M700 V707 R729 W731	R684-A702 PolarHBondContact O-N 3.12Å; I686-A702 HydrophobicContact CB-CB 4.15Å; I686-A702 HydrophobicContact CD1-CB 3.48Å; I686-A702 VanDerWaalsContact CD1-CB 3.48Å; I686-A702 HydrophobicContact CG1-CB 3.52Å; M700-A702 PolarHBondContact O-N 3.38Å; A702-V707 HydrophobicContact CB-CG2 4.14Å; A702-R729 WeakPolarHBondContact O-CD 3.43Å; A702-R729 PolarHBondContact O-NH1 3.21Å; A702-W731 HydrophobicContact CB-CH2 4.31Å; A702-W731 HydrophobicContact CB-CZ2 3.9Å; A702-W731 VanDerWaalsContact O-CZ2 3.29Å; A702-W731 WeakPolarHBondContact O-CZ2 3.41Å
703	H	96.8	Very high	95.1	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	23%	0.229	C	C	.	.			trans	-141.4	172.9	-171.9	-82.6	-87.2	0	0	0	112.1	R684 D705 V707 S721 S723 D725 S727	R684-H703 PolarHBondContact O-N 2.83Å; H703-D705 WeakPolarHBondContact CB-O 3.26Å; H703-V707 HydrophobicContact CB-CG2 4.21Å; H703-S721 PolarHBondContact NE2-OG 3.29Å; H703-S723 WeakPolarHBondContact ND1-CB 3.49Å; H703-D725 VanDerWaalsContact CB-OD2 3.29Å; H703-D725 WeakPolarHBondContact CB-OD2 3.44Å; H703-D725 IonicContact CE1-OD1 3.68Å; H703-D725 IonicContact CG-OD2 2.84Å; H703-D725 IonicContact ND1-OD1 2.83Å; H703-D725 PolarHBondContact ND1-OD1 3.46Å; H703-D725 IonicContact ND1-OD2 3.72Å; H703-D725 PolarHBondContact ND1-OD2 3.3Å; H703-S727 PolarHBondContact CE1-O 2.81Å; H703-S727 PolarHBondContact CE1-OG 3.02Å; H703-S727 PolarHBondContact ND1-OG 3.37Å; H703-S727 VanDerWaalsContact ND1-OG 3.17Å
704	L	95.4	Very high	95	Very high	122 Å²	122	41.9 Å²	41.9	64%	0.639	23%	0.229	S	C	*	.	S	Bend	trans	-86	-19.9	175.6	-63.7	179.3	0	0	0	113.2	R684 D725	R684-L704 VanDerWaalsContact CD-C 3.45Å; R684-L704 WeakPolarHBondContact CD-O 3.42Å; L704-D725 HydrophobicContact CB-CB 4.08Å; L704-D725 PolarHBondContact N-OD2 2.88Å
705	D	95.7	Very high	94.9	Very high	47 Å²	47	46.6 Å²	46.6	25%	0.251	25%	0.251	S	S	.	.	S	Bend	trans	-136	175.2	-179	-156	-17.5	0	0	0	108.7	H703 S723 H724 D725 K747	H703-D705 WeakPolarHBondContact CB-O 3.26Å; D705-S723 PolarHBondContact O-OG 2.9Å; D705-H724 HydrophobicContact CB-CB 4.2Å; D705-D725 HydrophobicContact CB-CB 3.72Å; D705-K747 WeakPolarHBondContact OD2-CE 3.44Å; D705-K747 IonicContact OD2-NZ 3.41Å; D705-K747 PolarHBondContact OD2-NZ 3.32Å
706	A	95.6	Very high	94.9	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.008	22%	0.222	C	C	.	.			trans	-48.7	139.2	-173.6	0	0	0	0	0	113.4	E682 S723 H724	E682-A706 VanDerWaalsContact CD-CB 3.46Å; E682-A706 HydrophobicContact CG-CB 4.32Å; E682-A706 WeakPolarHBondContact OE1-CB 3.37Å; E682-A706 WeakPolarHBondContact OE2-CB 3.46Å; A706-S723 WeakPolarHBondContact O-CA 3.49Å; A706-S723 VanDerWaalsContact O-CB 3.23Å; A706-S723 WeakPolarHBondContact O-CB 3.43Å; A706-S723 PolarHBondContact O-OG 3.25Å; A706-H724 PolarHBondContact O-N 3.49Å
707	V	97.7	Very high	94.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	121.1	174.3	-164.5	0	0	0	0	108.1	N666 A680 Q681 I686 A702 H703 L710 G722	N666-V707 WeakPolarHBondContact CB-O 3.21Å; N666-V707 PolarHBondContact ND2-O 3.01Å; A680-V707 HydrophobicContact CB-CB 3.72Å; A680-V707 HydrophobicContact CB-CG1 3.48Å; A680-V707 VanDerWaalsContact CB-CG1 3.48Å; Q681-V707 PolarHBondContact O-N 3.18Å; I686-V707 HydrophobicContact CD1-CG1 4.5Å; I686-V707 HydrophobicContact CG1-CG1 4.27Å; I686-V707 HydrophobicContact CG1-CG2 4.5Å; A702-V707 HydrophobicContact CB-CG2 4.14Å; H703-V707 HydrophobicContact CB-CG2 4.21Å; V707-L710 HydrophobicContact CG1-CD2 4.19Å; V707-G722 WeakPolarHBondContact CG1-O 3.26Å
708	T	96.9	Very high	94.9	Very high	16 Å²	16	40.6 Å²	40.6	10%	0.098	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	-40.5	-165.4	57.4	0	0	0	0	112.8	G722 H724 I753	T708-G722 PolarHBondContact N-O 3.24Å; T708-G722 PolarHBondContact OG1-O 3.3Å; T708-H724 WeakPolarHBondContact CG2-CE1 3.45Å; T708-H724 WeakPolarHBondContact CG2-ND1 3.49Å; T708-I753 WeakPolarHBondContact CB-O 3.4Å; T708-I753 WeakPolarHBondContact CG2-O 3.24Å; T708-I753 PolarHBondContact OG1-O 2.99Å
709	S	97.2	Very high	95	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	157.6	177.2	-171.8	0	0	0	0	112.2	K667 S721 G722 H754 D755	K667-S709 WeakPolarHBondContact CE-OG 3.16Å; K667-S709 PolarHBondContact NZ-OG 2.95Å; S709-S721 WeakPolarHBondContact O-CA 3.49Å; S709-G722 PolarHBondContact O-N 3.13Å; S709-H754 VanDerWaalsContact CB-O 3.27Å; S709-H754 WeakPolarHBondContact CB-O 3.3Å; S709-D755 PolarHBondContact OG-OD1 3.36Å
710	L	98.4	Very high	95.2	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.016	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	153.8	178.5	-61.9	177.8	0	0	0	109.3	L669 I678 A680 I686 V707 L719 M720	L669-L710 HydrophobicContact CD1-CB 3.52Å; L669-L710 HydrophobicContact CG-CB 4.17Å; I678-L710 HydrophobicContact CB-CD1 4.46Å; I678-L710 HydrophobicContact CG2-CD1 3.82Å; A680-L710 HydrophobicContact CB-CD1 3.79Å; A680-L710 HydrophobicContact CB-CD2 4Å; A680-L710 HydrophobicContact CB-CG 3.63Å; I686-L710 HydrophobicContact CD1-CD2 3.78Å; I686-L710 HydrophobicContact CG1-CD2 4.14Å; V707-L710 HydrophobicContact CG1-CD2 4.19Å; L710-L719 HydrophobicContact CB-CD1 4.25Å; L710-L719 HydrophobicContact CD2-CD1 4.32Å; L710-M720 CarbonylContact C-O 3.53Å; L710-M720 VanDerWaalsContact CA-O 3.27Å; L710-M720 WeakPolarHBondContact CA-O 3.36Å
711	A	97.7	Very high	95.4	Very high	11 Å²	11	34.2 Å²	34.2	9%	0.091	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	143.3	159.8	0	0	0	0	0	109.7	M720 V756 F758	A711-M720 HydrophobicContact CB-CE 4.16Å; A711-M720 PolarHBondContact N-O 3.47Å; A711-M720 PolarHBondContact O-N 3.47Å; A711-V756 HydrophobicContact CB-CG2 4.25Å; A711-F758 HydrophobicContact CB-CD2 3.81Å; A711-F758 HydrophobicContact CB-CE2 4.31Å; A711-F758 WeakPolarHBondContact O-CE2 3.35Å
712	V	96.6	Very high	95.6	Very high	26 Å²	26	29.8 Å²	29.8	16%	0.158	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	140.7	172.4	178.5	0	0	0	0	108.9	L669 P672 I678 L719 L733	L669-V712 HydrophobicContact CD1-CG2 3.92Å; P672-V712 HydrophobicContact CG-CG1 4.08Å; I678-V712 HydrophobicContact CD1-CG2 3.93Å; V712-L719 HydrophobicContact CG2-CD1 3.63Å; V712-L733 HydrophobicContact CG1-CD1 3.8Å; V712-L733 HydrophobicContact CG2-CD1 4.46Å
713	D	93.6	Very high	95.7	Very high	24 Å²	24	29.8 Å²	29.8	13%	0.128	16%	0.159	C	C	.	.			trans	-62	143.6	173	171.2	88.9	0	0	0	110.5	N715 G716 Y718 F758	D713-N715 PolarHBondContact O-N 3.23Å; D713-N715 WeakPolarHBondContact OD2-CA 3.39Å; D713-N715 VanDerWaalsContact OD2-CB 3.23Å; D713-N715 WeakPolarHBondContact OD2-CB 3.28Å; D713-N715 PolarHBondContact OD2-N 3.39Å; D713-N715 PolarHBondContact OD2-ND2 2.98Å; D713-G716 PolarHBondContact O-N 3.1Å; D713-Y718 HydrophobicContact CB-CD2 4.33Å; D713-Y718 PolarHBondContact N-O 2.95Å; D713-F758 HydrophobicContact CB-CD1 4.33Å; D713-F758 HydrophobicContact CB-CD2 4.43Å; D713-F758 HydrophobicContact CB-CE1 4.23Å; D713-F758 HydrophobicContact CB-CE2 4.31Å; D713-F758 HydrophobicContact CB-CG 4.45Å; D713-F758 HydrophobicContact CB-CZ 4.22Å
714	P	89.7	Confident	95.7	Very high	63 Å²	63	31 Å²	31	41%	0.409	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-22.7	-177.7	-28.3	35.5	0	0	0	115.9
715	N	89.1	Confident	95.8	Very high	113 Å²	113	26.8 Å²	26.8	60%	0.604	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-6.7	177.8	-46.7	-88.3	0	0	0	112.8	D713 L717	D713-N715 PolarHBondContact O-N 3.23Å; D713-N715 WeakPolarHBondContact OD2-CA 3.39Å; D713-N715 VanDerWaalsContact OD2-CB 3.23Å; D713-N715 WeakPolarHBondContact OD2-CB 3.28Å; D713-N715 PolarHBondContact OD2-N 3.39Å; D713-N715 PolarHBondContact OD2-ND2 2.98Å; N715-L717 VanDerWaalsContact C-N 3.32Å; N715-L717 HydrophobicContact CB-CD1 4.29Å; N715-L717 HydrophobicContact CB-CG 4.1Å; N715-L717 PolarHBondContact O-N 3.31Å
716	G	91.6	Very high	95.9	Very high	4 Å²	4	25.4 Å²	25.4	4%	0.041	14%	0.137	C	C	.	.	S	Bend	trans	77.6	7.2	-176.3	0	0	0	0	0	115.3	H671 D713 L733	H671-G716 PolarHBondContact NE2-O 2.78Å; H671-G716 VanDerWaalsContact NE2-O 3.14Å; D713-G716 PolarHBondContact O-N 3.1Å; G716-L733 WeakPolarHBondContact O-CD1 3.45Å
717	L	92.6	Very high	95.9	Very high	98 Å²	98	25.5 Å²	25.5	51%	0.513	14%	0.137	S	C	.	.	S	Bend	trans	-85.8	-25.7	-172.7	-59.4	-179.4	0	0	0	113.7	N715 L733	N715-L717 VanDerWaalsContact C-N 3.32Å; N715-L717 HydrophobicContact CB-CD1 4.29Å; N715-L717 HydrophobicContact CB-CG 4.1Å; N715-L717 PolarHBondContact O-N 3.31Å; L717-L733 PolarHBondContact O-N 3.18Å
718	Y	95.3	Very high	95.9	Very high	96 Å²	96	25.6 Å²	25.6	38%	0.376	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	146.3	-176.4	-54.4	-67.9	0	0	0	112.1	D713 W731 I739	D713-Y718 HydrophobicContact CB-CD2 4.33Å; D713-Y718 PolarHBondContact N-O 2.95Å; Y718-W731 VanDerWaalsContact CA-O 3.29Å; Y718-W731 WeakPolarHBondContact CA-O 3.47Å; Y718-I739 HydrophobicContact CD1-CD1 3.56Å; Y718-I739 HydrophobicContact CE1-CD1 3.49Å; Y718-I739 VanDerWaalsContact CE1-CD1 3.49Å
719	L	97.6	Very high	96	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	138	170.2	177.4	74.9	0	0	0	108.2	I678 I686 F688 L710 V712 L730 W731 L733	I678-L719 HydrophobicContact CD1-CD1 4.24Å; I678-L719 HydrophobicContact CG2-CD1 4.47Å; I678-L719 HydrophobicContact CG2-CD2 4.21Å; I686-L719 HydrophobicContact CD1-CD2 4.06Å; I686-L719 HydrophobicContact CG2-CD2 4.06Å; F688-L719 HydrophobicContact CZ-CD2 4.21Å; L710-L719 HydrophobicContact CB-CD1 4.25Å; L710-L719 HydrophobicContact CD2-CD1 4.32Å; V712-L719 HydrophobicContact CG2-CD1 3.63Å; L719-L730 WeakPolarHBondContact O-CA 3.32Å; L719-W731 HydrophobicContact CB-CB 4.29Å; L719-W731 PolarHBondContact N-O 2.94Å; L719-W731 PolarHBondContact O-N 3.02Å; L719-L733 HydrophobicContact CB-CD1 4.07Å; L719-L733 HydrophobicContact CB-CD2 3.86Å; L719-L733 HydrophobicContact CB-CG 3.8Å; L719-L733 HydrophobicContact CD2-CD2 4.36Å
720	M	98.1	Very high	96	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	137.8	169.6	-177.6	165.6	44.4	0	0	108.8	L710 A711 I728 R729 L730 V756 A757 F758 I765	L710-M720 CarbonylContact C-O 3.53Å; L710-M720 VanDerWaalsContact CA-O 3.27Å; L710-M720 WeakPolarHBondContact CA-O 3.36Å; A711-M720 HydrophobicContact CB-CE 4.16Å; A711-M720 PolarHBondContact N-O 3.47Å; A711-M720 PolarHBondContact O-N 3.47Å; M720-I728 HydrophobicContact CG-CG2 3.63Å; M720-I728 HydrophobicContact SD-CG2 3.76Å; M720-R729 WeakPolarHBondContact CA-O 3.36Å; M720-L730 HydrophobicContact CB-CD2 3.63Å; M720-L730 HydrophobicContact CG-CD2 3.79Å; M720-L730 HydrophobicContact SD-CD2 4.08Å; M720-V756 HydrophobicContact CE-CB 3.85Å; M720-V756 HydrophobicContact CE-CG2 4.27Å; M720-V756 HydrophobicContact CG-CB 4.21Å; M720-V756 HydrophobicContact CG-CG2 4.12Å; M720-V756 HydrophobicContact SD-CB 4.15Å; M720-A757 VanDerWaalsContact CE-C 3.42Å; M720-A757 WeakPolarHBondContact CE-O 3.34Å; M720-F758 HydrophobicContact CB-CD2 4.42Å; M720-F758 HydrophobicContact CB-CE2 3.54Å; M720-F758 HydrophobicContact CB-CZ 3.88Å; M720-F758 HydrophobicContact CE-CD2 4.08Å; M720-F758 HydrophobicContact CE-CE2 4.11Å; M720-F758 HydrophobicContact CE-CG 4.46Å; M720-I765 HydrophobicContact CE-CB 3.91Å; M720-I765 HydrophobicContact CE-CG2 3.99Å; M720-I765 HydrophobicContact SD-CB 4.05Å; M720-I765 HydrophobicContact SD-CD1 3.91Å; M720-I765 HydrophobicContact SD-CG1 4.43Å; M720-I765 HydrophobicContact SD-CG2 4.3Å
721	S	98.5	Very high	95.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	142.5	173.8	58.9	0	0	0	0	111.4	H703 S709 I728 R729 W731	H703-S721 PolarHBondContact NE2-OG 3.29Å; S709-S721 WeakPolarHBondContact O-CA 3.49Å; S721-I728 WeakPolarHBondContact O-CA 3.33Å; S721-R729 PolarHBondContact N-O 2.97Å; S721-R729 PolarHBondContact O-N 3.39Å; S721-W731 PolarHBondContact OG-NE1 3.15Å
722	G	98.3	Very high	95.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	152.9	169.3	0	0	0	0	0	111.2	V707 T708 S709	V707-G722 WeakPolarHBondContact CG1-O 3.26Å; T708-G722 PolarHBondContact N-O 3.24Å; T708-G722 PolarHBondContact OG1-O 3.3Å; S709-G722 PolarHBondContact O-N 3.13Å
723	S	98	Very high	95.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	162.3	-175	172.3	0	0	0	0	112.9	H703 D705 A706 D725 C726	H703-S723 WeakPolarHBondContact ND1-CB 3.49Å; D705-S723 PolarHBondContact O-OG 2.9Å; A706-S723 WeakPolarHBondContact O-CA 3.49Å; A706-S723 VanDerWaalsContact O-CB 3.23Å; A706-S723 WeakPolarHBondContact O-CB 3.43Å; A706-S723 PolarHBondContact O-OG 3.25Å; S723-D725 WeakPolarHBondContact CB-OD1 3.34Å; S723-D725 PolarHBondContact O-N 3Å; S723-D725 PolarHBondContact OG-N 2.91Å; S723-C726 PolarHBondContact O-N 2.89Å
724	H	97.5	Very high	95.4	Very high	26 Å²	26	35.7 Å²	35.7	12%	0.12	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-13.8	165.4	-68.4	-25.1	0	0	0	113.6	D705 A706 T708 C726 S752	D705-H724 HydrophobicContact CB-CB 4.2Å; A706-H724 PolarHBondContact O-N 3.49Å; T708-H724 WeakPolarHBondContact CG2-CE1 3.45Å; T708-H724 WeakPolarHBondContact CG2-ND1 3.49Å; H724-C726 PolarHBondContact O-N 2.95Å; H724-S752 PolarHBondContact ND1-N 3.39Å
725	D	96.7	Very high	95.6	Very high	33 Å²	33	35.7 Å²	35.7	18%	0.176	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	4.7	171.4	77.1	13.1	0	0	0	113.9	H703 L704 D705 S723 S727	H703-D725 VanDerWaalsContact CB-OD2 3.29Å; H703-D725 WeakPolarHBondContact CB-OD2 3.44Å; H703-D725 IonicContact CE1-OD1 3.68Å; H703-D725 IonicContact CG-OD2 2.84Å; H703-D725 IonicContact ND1-OD1 2.83Å; H703-D725 PolarHBondContact ND1-OD1 3.46Å; H703-D725 IonicContact ND1-OD2 3.72Å; H703-D725 PolarHBondContact ND1-OD2 3.3Å; L704-D725 HydrophobicContact CB-CB 4.08Å; L704-D725 PolarHBondContact N-OD2 2.88Å; D705-D725 HydrophobicContact CB-CB 3.72Å; S723-D725 WeakPolarHBondContact CB-OD1 3.34Å; S723-D725 PolarHBondContact O-N 3Å; S723-D725 PolarHBondContact OG-N 2.91Å; D725-S727 PolarHBondContact O-N 2.99Å; D725-S727 WeakPolarHBondContact OD1-CA 3.2Å; D725-S727 VanDerWaalsContact OD1-CB 3.23Å; D725-S727 WeakPolarHBondContact OD1-CB 3.3Å; D725-S727 PolarHBondContact OD1-N 3.35Å; D725-S727 PolarHBondContact OD1-OG 2.99Å; D725-S727 PolarHBondContact OD2-OG 3.19Å
726	C	96.8	Very high	95.8	Very high	19 Å²	19	33.2 Å²	33.2	13%	0.128	16%	0.164	C	C	.	.	S	Bend	trans	68.5	0.5	-179.4	-50.4	0	0	0	0	115.1	S723 H724 T743 A744 H745 K747 S752	S723-C726 PolarHBondContact O-N 2.89Å; H724-C726 PolarHBondContact O-N 2.95Å; C726-T743 HydrophobicContact CB-CG2 3.85Å; C726-T743 CarbonylContact O-C 3.54Å; C726-T743 WeakPolarHBondContact O-CA 3.48Å; C726-A744 PolarHBondContact O-N 2.85Å; C726-H745 WeakPolarHBondContact CB-O 3.43Å; C726-H745 PolarHBondContact O-N 2.63Å; C726-K747 PolarHBondContact SG-N 3.09Å; C726-K747 VanDerWaalsContact SG-N 3.42Å; C726-S752 WeakPolarHBondContact CA-OG 3.36Å; C726-S752 PolarHBondContact SG-OG 2.87Å
727	S	96.6	Very high	95.8	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.021	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	150.6	179.4	79.1	0	0	0	0	113.3	H703 D725 F742 I753	H703-S727 PolarHBondContact CE1-O 2.81Å; H703-S727 PolarHBondContact CE1-OG 3.02Å; H703-S727 PolarHBondContact ND1-OG 3.37Å; H703-S727 VanDerWaalsContact ND1-OG 3.17Å; D725-S727 PolarHBondContact O-N 2.99Å; D725-S727 WeakPolarHBondContact OD1-CA 3.2Å; D725-S727 VanDerWaalsContact OD1-CB 3.23Å; D725-S727 WeakPolarHBondContact OD1-CB 3.3Å; D725-S727 PolarHBondContact OD1-N 3.35Å; D725-S727 PolarHBondContact OD1-OG 2.99Å; D725-S727 PolarHBondContact OD2-OG 3.19Å; S727-F742 WeakPolarHBondContact CA-O 3.4Å; S727-I753 VanDerWaalsContact O-CD1 3.26Å; S727-I753 WeakPolarHBondContact O-CD1 3.43Å
728	I	98.1	Very high	95.9	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	134.5	160.7	-63.4	173.4	0	0	0	107.1	M720 S721 E741 F742 A744 I753 V756 S767 F777	M720-I728 HydrophobicContact CG-CG2 3.63Å; M720-I728 HydrophobicContact SD-CG2 3.76Å; S721-I728 WeakPolarHBondContact O-CA 3.33Å; I728-E741 WeakPolarHBondContact O-CA 3.29Å; I728-F742 HydrophobicContact CB-CD2 4.36Å; I728-F742 HydrophobicContact CB-CE1 4.42Å; I728-F742 HydrophobicContact CB-CE2 3.87Å; I728-F742 HydrophobicContact CB-CZ 3.91Å; I728-F742 HydrophobicContact CD1-CE2 3.91Å; I728-F742 HydrophobicContact CD1-CZ 4.37Å; I728-F742 HydrophobicContact CG1-CE2 4.38Å; I728-F742 HydrophobicContact CG2-CE1 4.33Å; I728-F742 HydrophobicContact CG2-CE2 4.3Å; I728-F742 HydrophobicContact CG2-CZ 3.86Å; I728-F742 PolarHBondContact N-O 3.01Å; I728-F742 PolarHBondContact O-N 3.32Å; I728-A744 HydrophobicContact CD1-CB 3.41Å; I728-A744 VanDerWaalsContact CD1-CB 3.41Å; I728-A744 HydrophobicContact CG1-CB 3.65Å; I728-I753 HydrophobicContact CD1-CD1 4.49Å; I728-I753 HydrophobicContact CG1-CD1 3.69Å; I728-V756 HydrophobicContact CD1-CG1 4.45Å; I728-V756 HydrophobicContact CG1-CG1 4.48Å; I728-S767 WeakPolarHBondContact CD1-OG 3.46Å; I728-F777 HydrophobicContact CD1-CE2 4.26Å; I728-F777 HydrophobicContact CD1-CZ 4.38Å
729	R	97.5	Very high	95.9	Very high	35 Å²	35	34.4 Å²	34.4	13%	0.132	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	137.5	175	-67.9	175.6	177.9	-158.2	-8.3	109.9	A702 M720 S721 W731 Q740 E741	A702-R729 WeakPolarHBondContact O-CD 3.43Å; A702-R729 PolarHBondContact O-NH1 3.21Å; M720-R729 WeakPolarHBondContact CA-O 3.36Å; S721-R729 PolarHBondContact N-O 2.97Å; S721-R729 PolarHBondContact O-N 3.39Å; R729-W731 HydrophobicContact CB-CZ2 3.88Å; R729-W731 HydrophobicContact CG-CZ2 4.48Å; R729-Q740 WeakPolarHBondContact CA-O 3.49Å; R729-E741 HydrophobicContact CG-CB 4.05Å; R729-E741 HydrophobicContact CG-CG 3.86Å; R729-E741 IonicContact CZ-OE1 2.77Å; R729-E741 IonicContact CZ-OE2 2.69Å; R729-E741 IonicContact NE-OE1 3.57Å; R729-E741 PolarHBondContact NE-OE1 2.97Å; R729-E741 VanDerWaalsContact NE-OE1 3.14Å; R729-E741 IonicContact NE-OE2 3.08Å; R729-E741 PolarHBondContact NE-OE2 3.22Å; R729-E741 IonicContact NH2-OE1 3.64Å; R729-E741 PolarHBondContact NH2-OE1 3.01Å; R729-E741 IonicContact NH2-OE2 3.74Å; R729-E741 PolarHBondContact NH2-OE2 2.85Å; R729-E741 VanDerWaalsContact NH2-OE2 3.11Å
730	L	97.3	Very high	95.7	Very high	7 Å²	7	35.7 Å²	35.7	4%	0.037	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	125.9	178.2	-73	169.8	0	0	0	109.4	W453 L719 M720 C738 I739 Q740 F742 F758 I765	W453-L730 HydrophobicContact CB-CD1 4.45Å; W453-L730 HydrophobicContact CG-CD1 3.92Å; L719-L730 WeakPolarHBondContact O-CA 3.32Å; M720-L730 HydrophobicContact CB-CD2 3.63Å; M720-L730 HydrophobicContact CG-CD2 3.79Å; M720-L730 HydrophobicContact SD-CD2 4.08Å; L730-C738 CarbonylContact O-C 3.56Å; L730-C738 WeakPolarHBondContact O-CA 3.41Å; L730-I739 PolarHBondContact O-N 3.31Å; L730-Q740 HydrophobicContact CB-CB 4.42Å; L730-Q740 HydrophobicContact CD1-CB 4.43Å; L730-Q740 PolarHBondContact N-O 3.39Å; L730-Q740 PolarHBondContact O-N 3.5Å; L730-F742 HydrophobicContact CD1-CE1 4.29Å; L730-F758 HydrophobicContact CD2-CE1 4.44Å; L730-F758 HydrophobicContact CD2-CZ 3.87Å; L730-I765 HydrophobicContact CD1-CD1 4.15Å
731	W	97	Very high	95.6	Very high	20 Å²	20	40.6 Å²	40.6	8%	0.076	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	141.2	-171	-50.3	82.4	0	0	0	110.6	M700 A702 Y718 L719 S721 R729 T737 C738	M700-W731 HydrophobicContact CE-CE3 4.33Å; M700-W731 HydrophobicContact SD-CD2 4.24Å; M700-W731 HydrophobicContact SD-CE3 3.78Å; M700-W731 HydrophobicContact SD-CH2 4.32Å; M700-W731 HydrophobicContact SD-CZ3 3.82Å; A702-W731 HydrophobicContact CB-CH2 4.31Å; A702-W731 HydrophobicContact CB-CZ2 3.9Å; A702-W731 VanDerWaalsContact O-CZ2 3.29Å; A702-W731 WeakPolarHBondContact O-CZ2 3.41Å; Y718-W731 VanDerWaalsContact CA-O 3.29Å; Y718-W731 WeakPolarHBondContact CA-O 3.47Å; L719-W731 HydrophobicContact CB-CB 4.29Å; L719-W731 PolarHBondContact N-O 2.94Å; L719-W731 PolarHBondContact O-N 3.02Å; S721-W731 PolarHBondContact OG-NE1 3.15Å; R729-W731 HydrophobicContact CB-CZ2 3.88Å; R729-W731 HydrophobicContact CG-CZ2 4.48Å; W731-T737 WeakPolarHBondContact CA-O 3.45Å; W731-C738 HydrophobicContact CD2-CB 4.24Å; W731-C738 HydrophobicContact CE3-CB 3.8Å; W731-C738 HydrophobicContact CH2-CB 4.06Å; W731-C738 HydrophobicContact CZ2-CB 4.48Å; W731-C738 HydrophobicContact CZ3-CB 3.71Å
732	N	94.4	Very high	95.4	Very high	42 Å²	42	42.2 Å²	42.2	23%	0.225	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	124.5	163.6	-176.7	-40.4	0	0	0	108.4	E734 S735 K736 T737 I739	N732-E734 VanDerWaalsContact C-N 3.35Å; N732-E734 WeakPolarHBondContact OD1-CA 3.34Å; N732-E734 WeakPolarHBondContact OD1-CB 3.2Å; N732-E734 PolarHBondContact OD1-N 3.33Å; N732-S735 VanDerWaalsContact CB-OG 3.25Å; N732-S735 WeakPolarHBondContact CB-OG 3.23Å; N732-S735 PolarHBondContact ND2-OG 3.32Å; N732-S735 PolarHBondContact OD1-N 3.21Å; N732-K736 VanDerWaalsContact O-CA 3.25Å; N732-K736 WeakPolarHBondContact O-CA 3.34Å; N732-K736 PolarHBondContact O-N 3.44Å; N732-T737 PolarHBondContact N-O 3.42Å; N732-I739 HydrophobicContact CB-CD1 3.95Å; N732-I739 HydrophobicContact CB-CG1 4.14Å
733	L	92.9	Very high	95.3	Very high	13 Å²	13	47.6 Å²	47.6	7%	0.068	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-19.9	-177.7	-87.4	169.9	0	0	0	114.2	I678 F688 V712 G716 L717 L719 K736	I678-L733 HydrophobicContact CD1-CD2 4.08Å; F688-L733 HydrophobicContact CE1-CD2 3.63Å; F688-L733 HydrophobicContact CZ-CD2 4.12Å; V712-L733 HydrophobicContact CG1-CD1 3.8Å; V712-L733 HydrophobicContact CG2-CD1 4.46Å; G716-L733 WeakPolarHBondContact O-CD1 3.45Å; L717-L733 PolarHBondContact O-N 3.18Å; L719-L733 HydrophobicContact CB-CD1 4.07Å; L719-L733 HydrophobicContact CB-CD2 3.86Å; L719-L733 HydrophobicContact CB-CG 3.8Å; L719-L733 HydrophobicContact CD2-CD2 4.36Å; L733-K736 WeakPolarHBondContact O-CD 3.27Å; L733-K736 VanDerWaalsContact O-CE 3.22Å; L733-K736 WeakPolarHBondContact O-CE 3.37Å; L733-K736 PolarHBondContact O-NZ 2.82Å
734	E	91.2	Very high	95	Very high	175 Å²	175	47.8 Å²	47.8	82%	0.818	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-56.9	175	-176.7	177.2	-155.8	0	0	110.9	N732 K736	N732-E734 VanDerWaalsContact C-N 3.35Å; N732-E734 WeakPolarHBondContact OD1-CA 3.34Å; N732-E734 WeakPolarHBondContact OD1-CB 3.2Å; N732-E734 PolarHBondContact OD1-N 3.33Å; E734-K736 PolarHBondContact O-N 3.03Å
735	S	91.8	Very high	95	Very high	64 Å²	64	46.8 Å²	46.8	45%	0.448	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-7.3	-177.7	65.2	0	0	0	0	114.8	N732 T737	N732-S735 VanDerWaalsContact CB-OG 3.25Å; N732-S735 WeakPolarHBondContact CB-OG 3.23Å; N732-S735 PolarHBondContact ND2-OG 3.32Å; N732-S735 PolarHBondContact OD1-N 3.21Å; S735-T737 PolarHBondContact O-N 2.97Å; S735-T737 VanDerWaalsContact O-N 3.11Å; S735-T737 PolarHBondContact OG-OG1 3.1Å
736	K	93.4	Very high	94.8	Very high	60 Å²	60	54.3 Å²	54.3	26%	0.261	27%	0.274	S	S	.	.			trans	58.7	17.3	-178.4	-56.6	-54.5	-175.5	-166.6	0	115.2	F688 M700 N732 L733 E734	F688-K736 HydrophobicContact CE2-CD 4.44Å; F688-K736 HydrophobicContact CZ-CD 4.25Å; M700-K736 HydrophobicContact CE-CB 3.66Å; M700-K736 HydrophobicContact CE-CD 4.16Å; M700-K736 HydrophobicContact CE-CG 4.32Å; M700-K736 WeakPolarHBondContact CE-O 3.29Å; N732-K736 VanDerWaalsContact O-CA 3.25Å; N732-K736 WeakPolarHBondContact O-CA 3.34Å; N732-K736 PolarHBondContact O-N 3.44Å; L733-K736 WeakPolarHBondContact O-CD 3.27Å; L733-K736 VanDerWaalsContact O-CE 3.22Å; L733-K736 WeakPolarHBondContact O-CE 3.37Å; L733-K736 PolarHBondContact O-NZ 2.82Å; E734-K736 PolarHBondContact O-N 3.03Å
737	T	92.9	Very high	94.7	Very high	76 Å²	76	57.3 Å²	57.3	47%	0.466	29%	0.285	S	S	.	.			trans	-95.3	139.1	-179.4	51.8	0	0	0	0	112.4	W731 N732 S735 I739	W731-T737 WeakPolarHBondContact CA-O 3.45Å; N732-T737 PolarHBondContact N-O 3.42Å; S735-T737 PolarHBondContact O-N 2.97Å; S735-T737 VanDerWaalsContact O-N 3.11Å; S735-T737 PolarHBondContact OG-OG1 3.1Å; T737-I739 PolarHBondContact O-N 3.49Å
738	C	94.9	Very high	94.6	Very high	52 Å²	52	60 Å²	60	35%	0.351	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	126.7	163.9	-173.5	0	0	0	0	109.7	L730 W731	L730-C738 CarbonylContact O-C 3.56Å; L730-C738 WeakPolarHBondContact O-CA 3.41Å; W731-C738 HydrophobicContact CD2-CB 4.24Å; W731-C738 HydrophobicContact CE3-CB 3.8Å; W731-C738 HydrophobicContact CH2-CB 4.06Å; W731-C738 HydrophobicContact CZ2-CB 4.48Å; W731-C738 HydrophobicContact CZ3-CB 3.71Å
739	I	94.3	Very high	94.3	Very high	96 Å²	96	68.3 Å²	68.3	49%	0.492	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-39.2	178.6	-50.3	169.8	0	0	0	110.1	Y718 L730 N732 T737	Y718-I739 HydrophobicContact CD1-CD1 3.56Å; Y718-I739 HydrophobicContact CE1-CD1 3.49Å; Y718-I739 VanDerWaalsContact CE1-CD1 3.49Å; L730-I739 PolarHBondContact O-N 3.31Å; N732-I739 HydrophobicContact CB-CD1 3.95Å; N732-I739 HydrophobicContact CB-CG1 4.14Å; T737-I739 PolarHBondContact O-N 3.49Å
740	Q	94.4	Very high	94	Very high	28 Å²	28	72.8 Å²	72.8	13%	0.131	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	137.5	-174.6	-170.5	-173.4	-22.9	0	0	110.6	T452 W453 R729 L730 F742	T452-Q740 HydrophobicContact CG2-CG 4.37Å; W453-Q740 PolarHBondContact O-NE2 2.94Å; R729-Q740 WeakPolarHBondContact CA-O 3.49Å; L730-Q740 HydrophobicContact CB-CB 4.42Å; L730-Q740 HydrophobicContact CD1-CB 4.43Å; L730-Q740 PolarHBondContact N-O 3.39Å; L730-Q740 PolarHBondContact O-N 3.5Å; Q740-F742 HydrophobicContact CG-CD1 3.98Å; Q740-F742 HydrophobicContact CG-CE1 4.31Å; Q740-F742 VanDerWaalsContact NE2-CD1 3.28Å
741	E	94.8	Very high	93.9	Very high	103 Å²	103	75.1 Å²	75.1	48%	0.481	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	140.9	173.2	175.7	173.8	-176.3	0	0	109.7	I728 R729	I728-E741 WeakPolarHBondContact O-CA 3.29Å; R729-E741 HydrophobicContact CG-CB 4.05Å; R729-E741 HydrophobicContact CG-CG 3.86Å; R729-E741 IonicContact CZ-OE1 2.77Å; R729-E741 IonicContact CZ-OE2 2.69Å; R729-E741 IonicContact NE-OE1 3.57Å; R729-E741 PolarHBondContact NE-OE1 2.97Å; R729-E741 VanDerWaalsContact NE-OE1 3.14Å; R729-E741 IonicContact NE-OE2 3.08Å; R729-E741 PolarHBondContact NE-OE2 3.22Å; R729-E741 IonicContact NH2-OE1 3.64Å; R729-E741 PolarHBondContact NH2-OE1 3.01Å; R729-E741 IonicContact NH2-OE2 3.74Å; R729-E741 PolarHBondContact NH2-OE2 2.85Å; R729-E741 VanDerWaalsContact NH2-OE2 3.11Å
742	F	94.7	Very high	93.9	Very high	34 Å²	34	74.2 Å²	74.2	15%	0.149	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	141.3	172.6	51.1	-83.8	0	0	0	112.6	S727 I728 L730 Q740 A744 I765 F777	S727-F742 WeakPolarHBondContact CA-O 3.4Å; I728-F742 HydrophobicContact CB-CD2 4.36Å; I728-F742 HydrophobicContact CB-CE1 4.42Å; I728-F742 HydrophobicContact CB-CE2 3.87Å; I728-F742 HydrophobicContact CB-CZ 3.91Å; I728-F742 HydrophobicContact CD1-CE2 3.91Å; I728-F742 HydrophobicContact CD1-CZ 4.37Å; I728-F742 HydrophobicContact CG1-CE2 4.38Å; I728-F742 HydrophobicContact CG2-CE1 4.33Å; I728-F742 HydrophobicContact CG2-CE2 4.3Å; I728-F742 HydrophobicContact CG2-CZ 3.86Å; I728-F742 PolarHBondContact N-O 3.01Å; I728-F742 PolarHBondContact O-N 3.32Å; L730-F742 HydrophobicContact CD1-CE1 4.29Å; Q740-F742 HydrophobicContact CG-CD1 3.98Å; Q740-F742 HydrophobicContact CG-CE1 4.31Å; Q740-F742 VanDerWaalsContact NE2-CD1 3.28Å; F742-A744 PolarHBondContact O-N 2.95Å; F742-I765 HydrophobicContact CZ-CD1 4.2Å; F742-F777 HydrophobicContact CD2-CD1 4.4Å; F742-F777 AromaticContact CD2-CE1 3.83Å; F742-F777 HydrophobicContact CD2-CE1 3.83Å; F742-F777 HydrophobicContact CD2-CZ 4.31Å; F742-F777 AromaticContact CE2-CD1 3.7Å; F742-F777 HydrophobicContact CE2-CD1 3.7Å; F742-F777 AromaticContact CE2-CE1 3.32Å; F742-F777 HydrophobicContact CE2-CE1 3.32Å; F742-F777 HydrophobicContact CE2-CE2 4.21Å; F742-F777 HydrophobicContact CE2-CG 4.33Å; F742-F777 AromaticContact CE2-CZ 3.62Å; F742-F777 HydrophobicContact CE2-CZ 3.62Å; F742-F777 HydrophobicContact CZ-CD1 4.2Å; F742-F777 HydrophobicContact CZ-CE1 4.24Å
743	T	95.6	Very high	94.1	Very high	112 Å²	112	72.2 Å²	72.2	69%	0.687	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.2	119.9	173.1	-42.7	0	0	0	0	110.4	C726	C726-T743 HydrophobicContact CB-CG2 3.85Å; C726-T743 CarbonylContact O-C 3.54Å; C726-T743 WeakPolarHBondContact O-CA 3.48Å
744	A	93.3	Very high	94.3	Very high	4 Å²	4	72.5 Å²	72.5	3%	0.033	35%	0.353	C	S	.	.			trans	-104.7	-51.1	-175.2	0	0	0	0	0	113	C726 I728 F742 I753 K775 F777	C726-A744 PolarHBondContact O-N 2.85Å; I728-A744 HydrophobicContact CD1-CB 3.41Å; I728-A744 VanDerWaalsContact CD1-CB 3.41Å; I728-A744 HydrophobicContact CG1-CB 3.65Å; F742-A744 PolarHBondContact O-N 2.95Å; A744-I753 HydrophobicContact CB-CD1 4.17Å; A744-K775 WeakPolarHBondContact O-CD 3.47Å; A744-K775 WeakPolarHBondContact O-CE 3.37Å; A744-K775 PolarHBondContact O-NZ 3.02Å; A744-F777 HydrophobicContact CB-CZ 4.28Å
745	H	95.7	Very high	94.6	Very high	6 Å²	6	64.7 Å²	64.7	3%	0.028	32%	0.316	C	S	.	.	S	Bend	trans	-115.5	-176.7	-174	-71	-91.2	0	0	0	112.2	C726 I753 S767 D771 L773	C726-H745 WeakPolarHBondContact CB-O 3.43Å; C726-H745 PolarHBondContact O-N 2.63Å; H745-I753 HydrophobicContact CB-CG1 4Å; H745-S767 PolarHBondContact NE2-OG 3.08Å; H745-D771 IonicContact CE1-OD1 2.75Å; H745-D771 IonicContact CG-OD1 3.97Å; H745-D771 IonicContact ND1-OD1 3.66Å; H745-D771 PolarHBondContact ND1-OD1 2.94Å; H745-D771 IonicContact ND1-OD2 3.43Å; H745-L773 PolarHBondContact CE1-O 3.33Å
746	R	93.6	Very high	95	Very high	191 Å²	191	61.8 Å²	61.8	72%	0.721	30%	0.296	S	S	*	.			trans	-113.1	139	172.6	-66.5	177.7	171.4	-175.3	-4.6	110.4	D771	R746-D771 HydrophobicContact CB-CB 4.14Å; R746-D771 PolarHBondContact N-OD2 3.45Å; R746-D771 VanDerWaalsContact N-OD2 3.14Å
747	K	94.7	Very high	95.2	Very high	82 Å²	82	59.6 Å²	59.6	36%	0.357	29%	0.289	S	S	.	.			trans	-64.3	136.3	172.3	-142.4	173.9	-167	-172.5	0	110.6	D705 C726 E750 E751	D705-K747 WeakPolarHBondContact OD2-CE 3.44Å; D705-K747 IonicContact OD2-NZ 3.41Å; D705-K747 PolarHBondContact OD2-NZ 3.32Å; C726-K747 PolarHBondContact SG-N 3.09Å; C726-K747 VanDerWaalsContact SG-N 3.42Å; K747-E750 WeakPolarHBondContact CE-O 3.5Å; K747-E750 VanDerWaalsContact CE-OE2 3.25Å; K747-E750 WeakPolarHBondContact CE-OE2 3.41Å; K747-E750 IonicContact NZ-OE2 2.9Å; K747-E750 PolarHBondContact NZ-OE2 3.29Å; K747-E751 CarbonylContact C-O 3.55Å; K747-E751 WeakPolarHBondContact CA-O 3.35Å; K747-E751 VanDerWaalsContact CG-O 3.3Å; K747-E751 WeakPolarHBondContact CG-O 3.36Å
748	K	94.3	Very high	95.4	Very high	58 Å²	58	57 Å²	57	25%	0.252	27%	0.272	S	S	.	.	B	Isolated β-bridge	trans	-153.1	123.5	-179.6	174.7	-153.5	172.4	-149.8	0	107.2	D464 E750 E751 A770	D464-K748 IonicContact OD1-NZ 3.39Å; D464-K748 PolarHBondContact OD1-NZ 3.04Å; K748-E750 VanDerWaalsContact C-N 3.27Å; K748-E750 PolarHBondContact O-N 2.89Å; K748-E751 PolarHBondContact N-O 2.76Å; K748-E751 PolarHBondContact O-N 3.08Å; K748-A770 HydrophobicContact CB-CB 4.16Å; K748-A770 HydrophobicContact CD-CB 4.17Å; K748-A770 WeakPolarHBondContact CD-O 3.37Å; K748-A770 PolarHBondContact NZ-O 3.35Å
749	F	91.1	Very high	95.4	Very high	176 Å²	176	54.8 Å²	54.8	77%	0.772	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	41.9	-174.7	-50.8	-49.1	0	0	0	113.3	E751	F749-E751 PolarHBondContact O-N 2.83Å
750	E	91.8	Very high	95.2	Very high	130 Å²	130	53.4 Å²	53.4	61%	0.607	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	-4.3	-169.8	-62.6	-51.1	108.1	0	0	117.5	K747 K748	K747-E750 WeakPolarHBondContact CE-O 3.5Å; K747-E750 VanDerWaalsContact CE-OE2 3.25Å; K747-E750 WeakPolarHBondContact CE-OE2 3.41Å; K747-E750 IonicContact NZ-OE2 2.9Å; K747-E750 PolarHBondContact NZ-OE2 3.29Å; K748-E750 VanDerWaalsContact C-N 3.27Å; K748-E750 PolarHBondContact O-N 2.89Å
751	E	94.9	Very high	94.9	Very high	56 Å²	56	55.6 Å²	55.6	26%	0.262	27%	0.272	S	S	.	.	B	Isolated β-bridge	trans	-89	165	169.7	-60.5	-177	123.6	0	0	111.6	K747 K748 F749 H754 A770	K747-E751 CarbonylContact C-O 3.55Å; K747-E751 WeakPolarHBondContact CA-O 3.35Å; K747-E751 VanDerWaalsContact CG-O 3.3Å; K747-E751 WeakPolarHBondContact CG-O 3.36Å; K748-E751 PolarHBondContact N-O 2.76Å; K748-E751 PolarHBondContact O-N 3.08Å; F749-E751 PolarHBondContact O-N 2.83Å; E751-H754 IonicContact OE1-CE1 3.47Å; E751-H754 IonicContact OE2-CE1 2.72Å; E751-H754 PolarHBondContact OE2-CE1 2.82Å; E751-A770 HydrophobicContact CB-CB 3.99Å
752	S	96.4	Very high	94.7	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.263	C	S	.	.			trans	-151.9	-68.5	176.7	-172.2	0	0	0	0	113.7	H724 C726 G769 A770	H724-S752 PolarHBondContact ND1-N 3.39Å; C726-S752 WeakPolarHBondContact CA-OG 3.36Å; C726-S752 PolarHBondContact SG-OG 2.87Å; S752-G769 CarbonylContact O-C 3.58Å; S752-G769 WeakPolarHBondContact O-CA 3.19Å; S752-A770 PolarHBondContact O-N 3.47Å
753	I	98.2	Very high	94.5	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	129.9	173.5	-54.7	-178.2	0	0	0	108.2	T708 S727 I728 A744 H745 V756 A768	T708-I753 WeakPolarHBondContact CB-O 3.4Å; T708-I753 WeakPolarHBondContact CG2-O 3.24Å; T708-I753 PolarHBondContact OG1-O 2.99Å; S727-I753 VanDerWaalsContact O-CD1 3.26Å; S727-I753 WeakPolarHBondContact O-CD1 3.43Å; I728-I753 HydrophobicContact CD1-CD1 4.49Å; I728-I753 HydrophobicContact CG1-CD1 3.69Å; A744-I753 HydrophobicContact CB-CD1 4.17Å; H745-I753 HydrophobicContact CB-CG1 4Å; I753-V756 HydrophobicContact CG2-CG1 3.96Å; I753-A768 WeakPolarHBondContact CG2-O 3.36Å
754	H	98.1	Very high	94.4	Very high	20 Å²	20	52 Å²	52	9%	0.093	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	-35.4	174	-56.1	-77	0	0	0	112.3	I466 S709 E751 A768 G769 A770	I466-H754 PolarHBondContact O-CD2 3.25Å; S709-H754 VanDerWaalsContact CB-O 3.27Å; S709-H754 WeakPolarHBondContact CB-O 3.3Å; E751-H754 IonicContact OE1-CE1 3.47Å; E751-H754 IonicContact OE2-CE1 2.72Å; E751-H754 PolarHBondContact OE2-CE1 2.82Å; H754-A768 PolarHBondContact N-O 3.35Å; H754-G769 VanDerWaalsContact CD2-C 3.44Å; H754-A770 PolarHBondContact CD2-N 2.83Å; H754-A770 VanDerWaalsContact NE2-CA 3.28Å; H754-A770 WeakPolarHBondContact NE2-CA 3.5Å; H754-A770 WeakPolarHBondContact NE2-CB 3.39Å; H754-A770 PolarHBondContact NE2-N 3.17Å
755	D	98.4	Very high	94.6	Very high	10 Å²	10	51.8 Å²	51.8	5%	0.053	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	153.1	-174.6	-153.7	30.8	0	0	0	114	A468 L469 K667 S709 S767 A768	A468-D755 WeakPolarHBondContact CA-OD2 3.43Å; L469-D755 PolarHBondContact N-OD2 3.4Å; K667-D755 IonicContact NZ-OD1 3.2Å; K667-D755 PolarHBondContact NZ-OD1 3Å; S709-D755 PolarHBondContact OG-OD1 3.36Å; D755-S767 CarbonylContact O-C 3.58Å; D755-S767 WeakPolarHBondContact O-CA 3.31Å; D755-A768 HydrophobicContact CB-CB 4.31Å; D755-A768 PolarHBondContact N-O 3.21Å; D755-A768 PolarHBondContact O-N 3.05Å
756	V	98.4	Very high	94.7	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.024	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	146.6	-179.8	-62.6	0	0	0	0	109.7	A711 M720 I728 I753 A766	A711-V756 HydrophobicContact CB-CG2 4.25Å; M720-V756 HydrophobicContact CE-CB 3.85Å; M720-V756 HydrophobicContact CE-CG2 4.27Å; M720-V756 HydrophobicContact CG-CB 4.21Å; M720-V756 HydrophobicContact CG-CG2 4.12Å; M720-V756 HydrophobicContact SD-CB 4.15Å; I728-V756 HydrophobicContact CD1-CG1 4.45Å; I728-V756 HydrophobicContact CG1-CG1 4.48Å; I753-V756 HydrophobicContact CG2-CG1 3.96Å; V756-A766 CarbonylContact C-O 3.5Å; V756-A766 WeakPolarHBondContact CA-O 3.43Å
757	A	97.9	Very high	94.9	Very high	14 Å²	14	42.4 Å²	42.4	12%	0.116	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	144.8	178.4	0	0	0	0	0	113.8	L469 F471 M720 I765 A766	L469-A757 HydrophobicContact CD1-CB 3.38Å; F471-A757 HydrophobicContact CD2-CB 4.11Å; F471-A757 HydrophobicContact CE2-CB 4.35Å; M720-A757 VanDerWaalsContact CE-C 3.42Å; M720-A757 WeakPolarHBondContact CE-O 3.34Å; A757-I765 CarbonylContact O-C 3.53Å; A757-I765 WeakPolarHBondContact O-CA 3.32Å; A757-A766 PolarHBondContact N-O 2.91Å; A757-A766 PolarHBondContact O-N 2.86Å
758	F	96.8	Very high	95.1	Very high	21 Å²	21	38.5 Å²	38.5	9%	0.092	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	145.2	161	-72.7	-87.5	0	0	0	110.2	A711 D713 M720 L730 I765	A711-F758 HydrophobicContact CB-CD2 3.81Å; A711-F758 HydrophobicContact CB-CE2 4.31Å; A711-F758 WeakPolarHBondContact O-CE2 3.35Å; D713-F758 HydrophobicContact CB-CD1 4.33Å; D713-F758 HydrophobicContact CB-CD2 4.43Å; D713-F758 HydrophobicContact CB-CE1 4.23Å; D713-F758 HydrophobicContact CB-CE2 4.31Å; D713-F758 HydrophobicContact CB-CG 4.45Å; D713-F758 HydrophobicContact CB-CZ 4.22Å; M720-F758 HydrophobicContact CB-CD2 4.42Å; M720-F758 HydrophobicContact CB-CE2 3.54Å; M720-F758 HydrophobicContact CB-CZ 3.88Å; M720-F758 HydrophobicContact CE-CD2 4.08Å; M720-F758 HydrophobicContact CE-CE2 4.11Å; M720-F758 HydrophobicContact CE-CG 4.46Å; L730-F758 HydrophobicContact CD2-CE1 4.44Å; L730-F758 HydrophobicContact CD2-CZ 3.87Å; F758-I765 HydrophobicContact CD1-CG2 3.35Å; F758-I765 HydrophobicContact CE1-CG2 3.54Å; F758-I765 HydrophobicContact CG-CG2 4.06Å; F758-I765 HydrophobicContact CZ-CG2 4.38Å
759	H	95.9	Very high	95.2	Very high	5 Å²	5	35.7 Å²	35.7	2%	0.023	19%	0.187	C	C	.	.			trans	-78.6	129.2	167.9	-174.4	-24	0	0	0	110	F471 H472 P473 E475 S761 K762 Y764	F471-H759 HydrophobicContact CB-CB 4.27Å; F471-H759 HydrophobicContact CD1-CB 3.92Å; F471-H759 AromaticContact CD1-CD2 3.63Å; F471-H759 AromaticContact CD1-CG 3.86Å; F471-H759 HydrophobicContact CD2-CB 3.85Å; F471-H759 HydrophobicContact CE1-CB 4.11Å; F471-H759 AromaticContact CE1-CD2 3.98Å; F471-H759 HydrophobicContact CE2-CB 4.05Å; F471-H759 HydrophobicContact CG-CB 3.77Å; F471-H759 AromaticContact CG-CG 3.96Å; F471-H759 HydrophobicContact CZ-CB 4.17Å; H472-H759 PolarHBondContact O-CE1 2.95Å; P473-H759 PolarHBondContact O-CE1 2.87Å; E475-H759 PolarHBondContact O-CE1 2.7Å; E475-H759 PolarHBondContact O-NE2 3.21Å; E475-H759 VanDerWaalsContact O-NE2 3.1Å; H759-S761 PolarHBondContact CE1-OG 2.91Å; H759-S761 VanDerWaalsContact CE1-OG 3.31Å; H759-S761 PolarHBondContact O-N 3.22Å; H759-K762 PolarHBondContact CE1-NZ 3.27Å; H759-K762 WeakPolarHBondContact NE2-CD 3.4Å; H759-K762 PolarHBondContact NE2-NZ 2.98Å; H759-Y764 WeakPolarHBondContact CB-O 3.42Å; H759-Y764 AromaticContact CD2-CD2 3.71Å; H759-Y764 PolarHBondContact N-O 3.14Å
760	P	90.9	Very high	95.5	Very high	68 Å²	68	27.4 Å²	27.4	44%	0.442	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-8.5	-174.2	-31.6	37.8	0	0	0	118.7
761	S	87.6	Confident	95.7	Very high	74 Å²	74	22.7 Å²	22.7	52%	0.517	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-151	-2.8	-168.9	59.2	0	0	0	0	115.7	P473 H759	P473-S761 PolarHBondContact O-OG 3.44Å; H759-S761 PolarHBondContact CE1-OG 2.91Å; H759-S761 VanDerWaalsContact CE1-OG 3.31Å; H759-S761 PolarHBondContact O-N 3.22Å
762	K	89.4	Confident	95.8	Very high	66 Å²	66	20.9 Å²	20.9	29%	0.287	13%	0.125	S	C	.	.	S	Bend	trans	-136.5	157.3	-175.4	-60.5	-176.1	-163.4	63.7	0	110.2	V474 E475 P476 H759 Y764	V474-K762 PolarHBondContact O-NZ 3.47Å; E475-K762 VanDerWaalsContact C-NZ 3.32Å; E475-K762 PolarHBondContact O-NZ 2.95Å; P476-K762 HydrophobicContact CB-CD 4.27Å; H759-K762 PolarHBondContact CE1-NZ 3.27Å; H759-K762 WeakPolarHBondContact NE2-CD 3.4Å; H759-K762 PolarHBondContact NE2-NZ 2.98Å; K762-Y764 HydrophobicContact CB-CD2 3.8Å; K762-Y764 HydrophobicContact CB-CE2 4.48Å; K762-Y764 HydrophobicContact CD-CD2 3.99Å; K762-Y764 HydrophobicContact CD-CE2 4.01Å; K762-Y764 PolarHBondContact O-N 3.3Å
763	C	90.7	Very high	95.8	Very high	82 Å²	82	22 Å²	22	55%	0.554	13%	0.13	S	C	*	.	S	Bend	trans	-69.8	74.9	166.5	-52.5	0	0	0	0	110.3	W453 V778	W453-C763 HydrophobicContact CH2-CB 4.24Å; W453-C763 HydrophobicContact CZ3-CB 4.37Å; C763-V778 WeakPolarHBondContact O-CG1 3.45Å
764	Y	94.6	Very high	95.8	Very high	24 Å²	24	22 Å²	22	9%	0.094	13%	0.13	C	C	.	.			trans	-138.4	129.9	169.5	-79.2	-62.7	0	0	0	108.5	K456 P476 H759 K762 V776 F777 V778	K456-Y764 HydrophobicContact CD-CE1 4.07Å; K456-Y764 PolarHBondContact NZ-OH 3.49Å; P476-Y764 HydrophobicContact CB-CE2 4.22Å; H759-Y764 WeakPolarHBondContact CB-O 3.42Å; H759-Y764 AromaticContact CD2-CD2 3.71Å; H759-Y764 PolarHBondContact N-O 3.14Å; K762-Y764 HydrophobicContact CB-CD2 3.8Å; K762-Y764 HydrophobicContact CB-CE2 4.48Å; K762-Y764 HydrophobicContact CD-CD2 3.99Å; K762-Y764 HydrophobicContact CD-CE2 4.01Å; K762-Y764 PolarHBondContact O-N 3.3Å; Y764-V776 HydrophobicContact CD1-CG1 3.53Å; Y764-V776 HydrophobicContact CE1-CG1 4.06Å; Y764-V776 HydrophobicContact CG-CG1 4.38Å; Y764-F777 WeakPolarHBondContact CA-O 3.31Å; Y764-V778 HydrophobicContact CD1-CG1 3.4Å; Y764-V778 HydrophobicContact CE1-CG1 3.31Å; Y764-V778 HydrophobicContact CG-CG1 4.42Å
765	I	96.8	Very high	95.7	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	152.9	160.3	60.5	180	0	0	0	108.9	W453 M720 L730 F742 A757 F758 V776 F777	W453-I765 HydrophobicContact CB-CD1 3.98Å; W453-I765 HydrophobicContact CD2-CD1 3.7Å; W453-I765 HydrophobicContact CD2-CG1 4Å; W453-I765 HydrophobicContact CD2-CG2 4.47Å; W453-I765 HydrophobicContact CE3-CB 4.49Å; W453-I765 HydrophobicContact CE3-CD1 3.93Å; W453-I765 HydrophobicContact CE3-CG1 3.68Å; W453-I765 HydrophobicContact CE3-CG2 4.32Å; W453-I765 HydrophobicContact CG-CD1 3.75Å; W453-I765 HydrophobicContact CG-CG1 4.49Å; W453-I765 HydrophobicContact CH2-CG2 3.8Å; W453-I765 HydrophobicContact CZ2-CG2 3.98Å; W453-I765 HydrophobicContact CZ3-CB 4.38Å; W453-I765 HydrophobicContact CZ3-CG1 4.04Å; W453-I765 HydrophobicContact CZ3-CG2 3.99Å; M720-I765 HydrophobicContact CE-CB 3.91Å; M720-I765 HydrophobicContact CE-CG2 3.99Å; M720-I765 HydrophobicContact SD-CB 4.05Å; M720-I765 HydrophobicContact SD-CD1 3.91Å; M720-I765 HydrophobicContact SD-CG1 4.43Å; M720-I765 HydrophobicContact SD-CG2 4.3Å; L730-I765 HydrophobicContact CD1-CD1 4.15Å; F742-I765 HydrophobicContact CZ-CD1 4.2Å; A757-I765 CarbonylContact O-C 3.53Å; A757-I765 WeakPolarHBondContact O-CA 3.32Å; F758-I765 HydrophobicContact CD1-CG2 3.35Å; F758-I765 HydrophobicContact CE1-CG2 3.54Å; F758-I765 HydrophobicContact CG-CG2 4.06Å; F758-I765 HydrophobicContact CZ-CG2 4.38Å; I765-V776 WeakPolarHBondContact O-CA 3.4Å; I765-F777 HydrophobicContact CD1-CB 4.21Å; I765-F777 HydrophobicContact CG1-CB 3.71Å; I765-F777 HydrophobicContact CG1-CD2 4.02Å; I765-F777 HydrophobicContact CG1-CG 4.21Å; I765-F777 PolarHBondContact N-O 3.02Å; I765-F777 PolarHBondContact O-N 2.78Å
766	A	97.9	Very high	95.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	158	175.8	0	0	0	0	0	112.4	L469 F471 L478 V756 A757 K775 V776	L469-A766 HydrophobicContact CD2-CB 3.7Å; F471-A766 HydrophobicContact CE2-CB 3.62Å; F471-A766 HydrophobicContact CZ-CB 3.56Å; L478-A766 HydrophobicContact CD1-CB 4.06Å; L478-A766 HydrophobicContact CD2-CB 4.31Å; V756-A766 CarbonylContact C-O 3.5Å; V756-A766 WeakPolarHBondContact CA-O 3.43Å; A757-A766 PolarHBondContact N-O 2.91Å; A757-A766 PolarHBondContact O-N 2.86Å; A766-K775 CarbonylContact C-O 3.48Å; A766-K775 WeakPolarHBondContact CA-O 3.3Å; A766-K775 WeakPolarHBondContact CB-O 3.43Å; A766-V776 HydrophobicContact CB-CG2 4.16Å
767	S	98.3	Very high	95.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	150.6	174.3	62.5	0	0	0	0	112.1	I728 H745 D755 A774 K775	I728-S767 WeakPolarHBondContact CD1-OG 3.46Å; H745-S767 PolarHBondContact NE2-OG 3.08Å; D755-S767 CarbonylContact O-C 3.58Å; D755-S767 WeakPolarHBondContact O-CA 3.31Å; S767-A774 CarbonylContact O-C 3.58Å; S767-A774 WeakPolarHBondContact O-CA 3.4Å; S767-K775 PolarHBondContact N-O 3.44Å; S767-K775 PolarHBondContact O-N 3.27Å
768	A	98.1	Very high	95.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	142.8	179.2	0	0	0	0	0	110.1	I466 L469 I753 H754 D755	I466-A768 HydrophobicContact CB-CB 3.89Å; I466-A768 HydrophobicContact CG2-CB 3.57Å; I466-A768 WeakPolarHBondContact O-CB 3.28Å; L469-A768 HydrophobicContact CD2-CB 3.87Å; L469-A768 HydrophobicContact CG-CB 3.93Å; I753-A768 WeakPolarHBondContact CG2-O 3.36Å; H754-A768 PolarHBondContact N-O 3.35Å; D755-A768 HydrophobicContact CB-CB 4.31Å; D755-A768 PolarHBondContact N-O 3.21Å; D755-A768 PolarHBondContact O-N 3.05Å
769	G	97	Very high	95	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	169.8	-174.2	0	0	0	0	0	116.3	I466 S752 H754 D771 A772 L773	I466-G769 PolarHBondContact N-O 3.17Å; S752-G769 CarbonylContact O-C 3.58Å; S752-G769 WeakPolarHBondContact O-CA 3.19Å; H754-G769 VanDerWaalsContact CD2-C 3.44Å; G769-D771 PolarHBondContact O-N 3.38Å; G769-A772 PolarHBondContact O-N 3.12Å; G769-L773 PolarHBondContact N-O 2.91Å
770	A	97.6	Very high	94.9	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.008	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-24.4	-178.4	0	0	0	0	0	112.1	K748 E751 S752 H754 A772	K748-A770 HydrophobicContact CB-CB 4.16Å; K748-A770 HydrophobicContact CD-CB 4.17Å; K748-A770 WeakPolarHBondContact CD-O 3.37Å; K748-A770 PolarHBondContact NZ-O 3.35Å; E751-A770 HydrophobicContact CB-CB 3.99Å; S752-A770 PolarHBondContact O-N 3.47Å; H754-A770 PolarHBondContact CD2-N 2.83Å; H754-A770 VanDerWaalsContact NE2-CA 3.28Å; H754-A770 WeakPolarHBondContact NE2-CA 3.5Å; H754-A770 WeakPolarHBondContact NE2-CB 3.39Å; H754-A770 PolarHBondContact NE2-N 3.17Å; A770-A772 PolarHBondContact O-N 2.97Å
771	D	96.4	Very high	95.1	Very high	31 Å²	31	24.6 Å²	24.6	17%	0.166	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	13.7	177.4	69.9	-7.6	0	0	0	114.9	H745 R746 G769 L773	H745-D771 IonicContact CE1-OD1 2.75Å; H745-D771 IonicContact CG-OD1 3.97Å; H745-D771 IonicContact ND1-OD1 3.66Å; H745-D771 PolarHBondContact ND1-OD1 2.94Å; H745-D771 IonicContact ND1-OD2 3.43Å; R746-D771 HydrophobicContact CB-CB 4.14Å; R746-D771 PolarHBondContact N-OD2 3.45Å; R746-D771 VanDerWaalsContact N-OD2 3.14Å; G769-D771 PolarHBondContact O-N 3.38Å; D771-L773 HydrophobicContact CB-CG 4.5Å; D771-L773 WeakPolarHBondContact O-CG 3.4Å; D771-L773 PolarHBondContact O-N 3.33Å; D771-L773 WeakPolarHBondContact OD1-CB 3.25Å; D771-L773 PolarHBondContact OD1-N 3.18Å
772	A	96.5	Very high	95.6	Very high	18 Å²	18	21.6 Å²	21.6	15%	0.149	12%	0.12	C	C	.	.	S	Bend	trans	60.5	18.5	-177.8	0	0	0	0	0	114.4	D464 G769 A770	D464-A772 WeakPolarHBondContact O-CA 3.36Å; D464-A772 WeakPolarHBondContact O-CB 3.39Å; G769-A772 PolarHBondContact O-N 3.12Å; A770-A772 PolarHBondContact O-N 2.97Å
773	L	96.3	Very high	96	Very high	23 Å²	23	18.9 Å²	18.9	12%	0.12	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	145.8	179	-50.4	-175.7	0	0	0	111	T458 R460 I466 H745 G769 D771	T458-L773 HydrophobicContact CG2-CB 4.32Å; T458-L773 HydrophobicContact CG2-CD1 3.87Å; T458-L773 HydrophobicContact CG2-CD2 4.36Å; T458-L773 HydrophobicContact CG2-CG 4.42Å; R460-L773 HydrophobicContact CG-CD2 4.06Å; I466-L773 VanDerWaalsContact CD1-C 3.46Å; H745-L773 PolarHBondContact CE1-O 3.33Å; G769-L773 PolarHBondContact N-O 2.91Å; D771-L773 HydrophobicContact CB-CG 4.5Å; D771-L773 WeakPolarHBondContact O-CG 3.4Å; D771-L773 PolarHBondContact O-N 3.33Å; D771-L773 WeakPolarHBondContact OD1-CB 3.25Å; D771-L773 PolarHBondContact OD1-N 3.18Å
774	A	97.4	Very high	96.3	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	142.9	155.8	0	0	0	0	0	108.9	L459 I466 T480 S767	L459-A774 HydrophobicContact CB-CB 4.2Å; L459-A774 WeakPolarHBondContact CB-O 3.22Å; L459-A774 HydrophobicContact CD1-CB 4.06Å; L459-A774 HydrophobicContact CG-CB 4.49Å; L459-A774 PolarHBondContact N-O 3.25Å; I466-A774 HydrophobicContact CD1-CB 3.88Å; T480-A774 HydrophobicContact CG2-CB 3.76Å; S767-A774 CarbonylContact O-C 3.58Å; S767-A774 WeakPolarHBondContact O-CA 3.4Å
775	K	96.3	Very high	96.4	Very high	42 Å²	42	14 Å²	14	18%	0.183	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	146.5	-179.4	-67.7	-174.8	176.9	-178.1	0	110.3	F457 T458 A744 A766 S767 F777	F457-K775 WeakPolarHBondContact O-CA 3.49Å; T458-K775 HydrophobicContact CG2-CG 4.12Å; A744-K775 WeakPolarHBondContact O-CD 3.47Å; A744-K775 WeakPolarHBondContact O-CE 3.37Å; A744-K775 PolarHBondContact O-NZ 3.02Å; A766-K775 CarbonylContact C-O 3.48Å; A766-K775 WeakPolarHBondContact CA-O 3.3Å; A766-K775 WeakPolarHBondContact CB-O 3.43Å; S767-K775 PolarHBondContact N-O 3.44Å; S767-K775 PolarHBondContact O-N 3.27Å; K775-F777 HydrophobicContact CB-CE2 3.66Å; K775-F777 HydrophobicContact CB-CZ 3.72Å; K775-F777 HydrophobicContact CD-CZ 4.4Å
776	V	96.4	Very high	96.4	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	134.5	-179.1	-175	0	0	0	0	109.2	K456 F457 L459 L478 L492 Y764 I765 A766	K456-V776 PolarHBondContact N-O 3.15Å; F457-V776 HydrophobicContact CB-CB 4.18Å; F457-V776 HydrophobicContact CD2-CB 4.12Å; F457-V776 HydrophobicContact CD2-CG1 4.32Å; F457-V776 PolarHBondContact N-O 3.42Å; F457-V776 VanDerWaalsContact N-O 3.09Å; F457-V776 PolarHBondContact O-N 3.48Å; F457-V776 VanDerWaalsContact O-N 3.08Å; L459-V776 HydrophobicContact CD1-CG2 4.16Å; L478-V776 HydrophobicContact CD2-CG2 4.28Å; L492-V776 HydrophobicContact CD1-CG1 4.21Å; L492-V776 HydrophobicContact CD1-CG2 4.45Å; L492-V776 HydrophobicContact CD2-CG2 4.21Å; Y764-V776 HydrophobicContact CD1-CG1 3.53Å; Y764-V776 HydrophobicContact CE1-CG1 4.06Å; Y764-V776 HydrophobicContact CG-CG1 4.38Å; I765-V776 WeakPolarHBondContact O-CA 3.4Å; A766-V776 HydrophobicContact CB-CG2 4.16Å
777	F	94.5	Very high	96.3	Very high	6 Å²	6	16.3 Å²	16.3	3%	0.026	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	154.8	-173.5	-45.5	-108.6	0	0	0	110.6	W453 N454 P455 I728 F742 A744 Y764 I765 K775	W453-F777 HydrophobicContact CB-CB 4.35Å; W453-F777 HydrophobicContact CE3-CB 4.44Å; N454-F777 CarbonylContact O-C 3.59Å; N454-F777 WeakPolarHBondContact O-CA 3.45Å; N454-F777 WeakPolarHBondContact O-CB 3.32Å; P455-F777 VanDerWaalsContact CA-CD1 3.45Å; P455-F777 HydrophobicContact CB-CD1 3.79Å; P455-F777 HydrophobicContact CB-CE1 3.78Å; I728-F777 HydrophobicContact CD1-CE2 4.26Å; I728-F777 HydrophobicContact CD1-CZ 4.38Å; F742-F777 HydrophobicContact CD2-CD1 4.4Å; F742-F777 AromaticContact CD2-CE1 3.83Å; F742-F777 HydrophobicContact CD2-CE1 3.83Å; F742-F777 HydrophobicContact CD2-CZ 4.31Å; F742-F777 AromaticContact CE2-CD1 3.7Å; F742-F777 HydrophobicContact CE2-CD1 3.7Å; F742-F777 AromaticContact CE2-CE1 3.32Å; F742-F777 HydrophobicContact CE2-CE1 3.32Å; F742-F777 HydrophobicContact CE2-CE2 4.21Å; F742-F777 HydrophobicContact CE2-CG 4.33Å; F742-F777 AromaticContact CE2-CZ 3.62Å; F742-F777 HydrophobicContact CE2-CZ 3.62Å; F742-F777 HydrophobicContact CZ-CD1 4.2Å; F742-F777 HydrophobicContact CZ-CE1 4.24Å; A744-F777 HydrophobicContact CB-CZ 4.28Å; Y764-F777 WeakPolarHBondContact CA-O 3.31Å; I765-F777 HydrophobicContact CD1-CB 4.21Å; I765-F777 HydrophobicContact CG1-CB 3.71Å; I765-F777 HydrophobicContact CG1-CD2 4.02Å; I765-F777 HydrophobicContact CG1-CG 4.21Å; I765-F777 PolarHBondContact N-O 3.02Å; I765-F777 PolarHBondContact O-N 2.78Å; K775-F777 HydrophobicContact CB-CE2 3.66Å; K775-F777 HydrophobicContact CB-CZ 3.72Å; K775-F777 HydrophobicContact CD-CZ 4.4Å
778	V	90.7	Very high	96.1	Very high	75 Å²	75	17.8 Å²	17.8	46%	0.455	10%	0.101	S	C	.	.			trans	-139.2	0	179.1	-60.5	0	0	0	0	113	W453 N454 K456 C763 Y764	W453-V778 CarbonylContact C-O 3.58Å; W453-V778 WeakPolarHBondContact CA-O 3.49Å; N454-V778 PolarHBondContact N-O 3.05Å; N454-V778 PolarHBondContact O-N 3.4Å; K456-V778 HydrophobicContact CB-CG1 4.36Å; K456-V778 HydrophobicContact CB-CG2 4.16Å; K456-V778 HydrophobicContact CD-CB 4.41Å; K456-V778 HydrophobicContact CD-CG1 3.55Å; K456-V778 HydrophobicContact CD-CG2 3.96Å; K456-V778 HydrophobicContact CG-CG2 4.46Å; C763-V778 WeakPolarHBondContact O-CG1 3.45Å; Y764-V778 HydrophobicContact CD1-CG1 3.4Å; Y764-V778 HydrophobicContact CE1-CG1 3.31Å; Y764-V778 HydrophobicContact CG-CG1 4.42Å

Retrieved 778 of 778 residues in 171.6 ms (Link to these results)

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