A0A060YLE2_ONCMY Loading...

Olfactomedin-like 2A

AlphaFold DB , UniProt , Accession A0A060YLE2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 658 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	46.6	Very low	45.4	Very low	216 Å²	216	134 Å²	134	100%	1.064	66%	0.655	S	S	*	*				0	-52.5	0	-65.7	-178.5	-138.5	0	0	113.5	R3 F4	M1-R3 PolarHBondContact O-N 3.01Å; M1-F4 PolarHBondContact O-N 2.88Å
2	W	38.5	Very low	45.1	Very low	225 Å²	225	131.4 Å²	131.4	85%	0.852	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.1	-11.8	-164.7	-144.6	19	0	0	0	119	T5	W2-T5 PolarHBondContact O-OG1 3.36Å; W2-T5 VanDerWaalsContact O-OG1 3.13Å
3	R	46.3	Very low	45.2	Very low	225 Å²	225	127.9 Å²	127.9	85%	0.849	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	-28.5	173	-71.7	-170.6	176.2	-168.2	-1.1	114	M1 L7	M1-R3 PolarHBondContact O-N 3.01Å; R3-L7 PolarHBondContact O-N 2.94Å
4	F	44.3	Very low	45	Very low	172 Å²	172	124.8 Å²	124.8	75%	0.754	63%	0.627	S	S	*	*	H	α-helix	trans	-72.4	-36.2	179.7	-96.2	-88.3	0	0	0	112.3	M1 N6 L7 L8	M1-F4 PolarHBondContact O-N 2.88Å; F4-N6 VanDerWaalsContact C-N 3.27Å; F4-N6 PolarHBondContact O-N 3.13Å; F4-L7 PolarHBondContact O-N 2.97Å; F4-L8 WeakPolarHBondContact O-CB 3.32Å; F4-L8 PolarHBondContact O-N 3.34Å
5	T	49.1	Very low	44.6	Very low	77 Å²	77	121.2 Å²	121.2	47%	0.472	62%	0.617	S	S	.	*	H	α-helix	trans	-58.4	-38.8	176.3	45.8	0	0	0	0	112.2	W2 A9	W2-T5 PolarHBondContact O-OG1 3.36Å; W2-T5 VanDerWaalsContact O-OG1 3.13Å; T5-A9 WeakPolarHBondContact O-CB 3.45Å; T5-A9 PolarHBondContact O-N 3.34Å
6	N	45.2	Very low	44.1	Very low	100 Å²	100	123 Å²	123	54%	0.535	62%	0.619	S	S	.	*	H	α-helix	trans	-78.1	-35.3	-178.1	-64.8	8.1	0	0	0	111.9	F4 A9 C10	F4-N6 VanDerWaalsContact C-N 3.27Å; F4-N6 PolarHBondContact O-N 3.13Å; N6-A9 PolarHBondContact O-N 2.89Å; N6-C10 PolarHBondContact O-N 3.45Å; N6-C10 PolarHBondContact O-SG 2.98Å
7	L	47.1	Very low	43.6	Very low	117 Å²	117	121.4 Å²	121.4	61%	0.613	61%	0.613	S	S	*	*	H	α-helix	trans	-64	-43.7	171.6	-119.6	79.1	0	0	0	111.5	R3 F4 A9 C10 L11	R3-L7 PolarHBondContact O-N 2.94Å; F4-L7 PolarHBondContact O-N 2.97Å; L7-A9 VanDerWaalsContact C-N 3.35Å; L7-C10 PolarHBondContact O-N 2.95Å; L7-L11 PolarHBondContact O-N 3.26Å
8	L	47.3	Very low	42.9	Very low	109 Å²	109	119.6 Å²	119.6	57%	0.571	61%	0.609	S	S	*	*	H	α-helix	trans	-67	-36.6	178.1	-156.9	75.5	0	0	0	111.6	F4 L11 L12	F4-L8 WeakPolarHBondContact O-CB 3.32Å; F4-L8 PolarHBondContact O-N 3.34Å; L8-L11 PolarHBondContact O-N 3.5Å; L8-L12 HydrophobicContact CG-CD1 4.32Å; L8-L12 WeakPolarHBondContact O-CB 3.4Å; L8-L12 VanDerWaalsContact O-CG 3.27Å; L8-L12 WeakPolarHBondContact O-CG 3.38Å; L8-L12 PolarHBondContact O-N 3.45Å
9	A	48.7	Very low	42.3	Very low	50 Å²	50	117.8 Å²	117.8	41%	0.413	61%	0.605	S	S	.	*	H	α-helix	trans	-63	-46.3	172.3	0	0	0	0	0	112	T5 N6 L7 L11 L12 V13	T5-A9 WeakPolarHBondContact O-CB 3.45Å; T5-A9 PolarHBondContact O-N 3.34Å; N6-A9 PolarHBondContact O-N 2.89Å; L7-A9 VanDerWaalsContact C-N 3.35Å; A9-L11 PolarHBondContact O-N 3.46Å; A9-L12 PolarHBondContact O-N 2.94Å; A9-V13 WeakPolarHBondContact O-CG2 3.27Å; A9-V13 PolarHBondContact O-N 3.34Å
10	C	43.1	Very low	41.8	Very low	84 Å²	84	113.8 Å²	113.8	57%	0.568	59%	0.59	S	S	*	*	H	α-helix	trans	-61.4	-43.5	175.1	-73.3	0	0	0	0	112.2	N6 L7 L12 V13 V14	N6-C10 PolarHBondContact O-N 3.45Å; N6-C10 PolarHBondContact O-SG 2.98Å; L7-C10 PolarHBondContact O-N 2.95Å; C10-L12 PolarHBondContact O-N 3.49Å; C10-V13 PolarHBondContact O-N 2.84Å; C10-V14 WeakPolarHBondContact O-CG2 3.45Å; C10-V14 PolarHBondContact O-N 2.89Å
11	L	43.3	Very low	41.2	Very low	99 Å²	99	114.8 Å²	114.8	52%	0.518	59%	0.592	S	S	.	*	H	α-helix	trans	-61.8	-41.2	174.6	-86.6	159.4	0	0	0	112.2	L7 L8 A9 V13 V14 C15	L7-L11 PolarHBondContact O-N 3.26Å; L8-L11 PolarHBondContact O-N 3.5Å; A9-L11 PolarHBondContact O-N 3.46Å; L11-V13 VanDerWaalsContact C-N 3.32Å; L11-V13 PolarHBondContact O-N 3.46Å; L11-V14 PolarHBondContact O-N 3.26Å; L11-C15 VanDerWaalsContact O-CB 3.24Å; L11-C15 WeakPolarHBondContact O-CB 3.35Å; L11-C15 PolarHBondContact O-N 3.46Å; L11-C15 PolarHBondContact O-SG 3.47Å
12	L	42	Very low	40.4	Very low	103 Å²	103	108.4 Å²	108.4	54%	0.539	57%	0.568	S	S	.	*	H	α-helix	trans	-71.2	-23.5	177.1	-74	168.8	0	0	0	113.8	L8 A9 C10 K16	L8-L12 HydrophobicContact CG-CD1 4.32Å; L8-L12 WeakPolarHBondContact O-CB 3.4Å; L8-L12 VanDerWaalsContact O-CG 3.27Å; L8-L12 WeakPolarHBondContact O-CG 3.38Å; L8-L12 PolarHBondContact O-N 3.45Å; A9-L12 PolarHBondContact O-N 2.94Å; C10-L12 PolarHBondContact O-N 3.49Å; L12-K16 WeakPolarHBondContact O-CB 3.37Å; L12-K16 WeakPolarHBondContact O-CD 3.43Å; L12-K16 WeakPolarHBondContact O-CG 3.44Å; L12-K16 PolarHBondContact O-N 3.31Å
13	V	45.8	Very low	39.9	Very low	86 Å²	86	106.1 Å²	106.1	52%	0.521	56%	0.564	S	S	.	*	H	α-helix	trans	-75.8	-54.1	169	171.2	0	0	0	0	109.9	A9 C10 L11 C15 K16 D17	A9-V13 WeakPolarHBondContact O-CG2 3.27Å; A9-V13 PolarHBondContact O-N 3.34Å; C10-V13 PolarHBondContact O-N 2.84Å; L11-V13 VanDerWaalsContact C-N 3.32Å; L11-V13 PolarHBondContact O-N 3.46Å; V13-C15 PolarHBondContact O-N 2.79Å; V13-K16 CarbonylContact O-C 3.59Å; V13-K16 WeakPolarHBondContact O-CA 3.24Å; V13-K16 WeakPolarHBondContact O-CB 3.43Å; V13-K16 PolarHBondContact O-N 2.65Å; V13-D17 PolarHBondContact O-N 3.34Å
14	V	42.9	Very low	39.3	Very low	84 Å²	84	99.2 Å²	99.2	51%	0.509	54%	0.543	S	S	.	.	H	α-helix	trans	-60.7	-41.3	-178.5	173.6	0	0	0	0	111.9	C10 L11 K16 D17 V18	C10-V14 WeakPolarHBondContact O-CG2 3.45Å; C10-V14 PolarHBondContact O-N 2.89Å; L11-V14 PolarHBondContact O-N 3.26Å; V14-K16 VanDerWaalsContact C-N 3.29Å; V14-K16 PolarHBondContact O-N 2.86Å; V14-D17 PolarHBondContact O-N 2.69Å; V14-V18 HydrophobicContact CG1-CG2 4.33Å; V14-V18 WeakPolarHBondContact O-CB 3.22Å; V14-V18 VanDerWaalsContact O-CG2 3.31Å; V14-V18 WeakPolarHBondContact O-CG2 3.38Å; V14-V18 PolarHBondContact O-N 3.45Å
15	C	38.7	Very low	38.6	Very low	71 Å²	71	98.7 Å²	98.7	48%	0.48	54%	0.541	S	S	.	.	H	α-helix	trans	-66.7	-28.1	174.4	-70.7	0	0	0	0	113	L11 V13 T19	L11-C15 VanDerWaalsContact O-CB 3.24Å; L11-C15 WeakPolarHBondContact O-CB 3.35Å; L11-C15 PolarHBondContact O-N 3.46Å; L11-C15 PolarHBondContact O-SG 3.47Å; V13-C15 PolarHBondContact O-N 2.79Å; C15-T19 WeakPolarHBondContact O-CB 3.23Å; C15-T19 WeakPolarHBondContact O-CG2 3.41Å; C15-T19 PolarHBondContact O-N 3.09Å; C15-T19 VanDerWaalsContact O-N 3.09Å; C15-T19 PolarHBondContact O-OG1 2.88Å
16	K	37.7	Very low	37.8	Very low	150 Å²	150	97.8 Å²	97.8	65%	0.652	55%	0.547	S	S	*	.	H	α-helix	trans	-73.1	-39.1	171.7	-80.8	176.3	179.9	179.8	0	111.9	L12 V13 V14 T19 A20	L12-K16 WeakPolarHBondContact O-CB 3.37Å; L12-K16 WeakPolarHBondContact O-CD 3.43Å; L12-K16 WeakPolarHBondContact O-CG 3.44Å; L12-K16 PolarHBondContact O-N 3.31Å; V13-K16 CarbonylContact O-C 3.59Å; V13-K16 WeakPolarHBondContact O-CA 3.24Å; V13-K16 WeakPolarHBondContact O-CB 3.43Å; V13-K16 PolarHBondContact O-N 2.65Å; V14-K16 VanDerWaalsContact C-N 3.29Å; V14-K16 PolarHBondContact O-N 2.86Å; K16-T19 CarbonylContact O-C 3.58Å; K16-T19 PolarHBondContact O-N 3.13Å; K16-T19 PolarHBondContact O-OG1 3.27Å; K16-A20 VanDerWaalsContact O-CB 3.23Å; K16-A20 WeakPolarHBondContact O-CB 3.31Å; K16-A20 PolarHBondContact O-N 2.92Å
17	D	34.3	Very low	37.3	Very low	96 Å²	96	101.5 Å²	101.5	51%	0.513	56%	0.561	S	S	.	*	H	α-helix	trans	-69	-40.6	175.8	-70.8	-45.3	0	0	0	112	V13 V14 T19 A20 Q21	V13-D17 PolarHBondContact O-N 3.34Å; V14-D17 PolarHBondContact O-N 2.69Å; D17-T19 PolarHBondContact O-N 3.47Å; D17-A20 PolarHBondContact O-N 3.39Å; D17-A20 VanDerWaalsContact O-N 3.13Å; D17-Q21 PolarHBondContact O-N 2.94Å
18	V	32.4	Very low	37.1	Very low	88 Å²	88	101.5 Å²	101.5	53%	0.533	57%	0.566	S	S	.	*	H	α-helix	trans	-63.6	-38.7	174.2	170.4	0	0	0	0	111.8	V14 A20	V14-V18 HydrophobicContact CG1-CG2 4.33Å; V14-V18 WeakPolarHBondContact O-CB 3.22Å; V14-V18 VanDerWaalsContact O-CG2 3.31Å; V14-V18 WeakPolarHBondContact O-CG2 3.38Å; V14-V18 PolarHBondContact O-N 3.45Å; V18-A20 VanDerWaalsContact C-N 3.34Å
19	T	30.9	Very low	36.9	Very low	87 Å²	87	99.9 Å²	99.9	53%	0.534	56%	0.555	S	S	.	*	H	α-helix	trans	-82.1	-8.2	173.9	54	0	0	0	0	114.2	C15 K16 D17 S22	C15-T19 WeakPolarHBondContact O-CB 3.23Å; C15-T19 WeakPolarHBondContact O-CG2 3.41Å; C15-T19 PolarHBondContact O-N 3.09Å; C15-T19 VanDerWaalsContact O-N 3.09Å; C15-T19 PolarHBondContact O-OG1 2.88Å; K16-T19 CarbonylContact O-C 3.58Å; K16-T19 PolarHBondContact O-N 3.13Å; K16-T19 PolarHBondContact O-OG1 3.27Å; D17-T19 PolarHBondContact O-N 3.47Å; T19-S22 PolarHBondContact O-OG 3.1Å
20	A	31.3	Very low	37.3	Very low	37 Å²	37	102.5 Å²	102.5	31%	0.306	57%	0.568	S	S	.	*	H	α-helix	trans	-86.2	-38.3	168.3	0	0	0	0	0	111.7	K16 D17 V18 S22 K23 I24	K16-A20 VanDerWaalsContact O-CB 3.23Å; K16-A20 WeakPolarHBondContact O-CB 3.31Å; K16-A20 PolarHBondContact O-N 2.92Å; D17-A20 PolarHBondContact O-N 3.39Å; D17-A20 VanDerWaalsContact O-N 3.13Å; V18-A20 VanDerWaalsContact C-N 3.34Å; A20-S22 VanDerWaalsContact C-N 3.32Å; A20-S22 PolarHBondContact O-N 3.34Å; A20-K23 CarbonylContact O-C 3.56Å; A20-K23 WeakPolarHBondContact O-CA 3.38Å; A20-K23 PolarHBondContact O-N 2.93Å; A20-I24 WeakPolarHBondContact O-CG1 3.44Å; A20-I24 PolarHBondContact O-N 3.14Å
21	Q	30.7	Very low	38.1	Very low	135 Å²	135	100.6 Å²	100.6	63%	0.631	55%	0.554	S	S	*	*	H	α-helix	trans	-60.2	-39.7	178.5	-79.7	-174	-35.4	0	0	112.5	D17 K23 I24	D17-Q21 PolarHBondContact O-N 2.94Å; Q21-K23 PolarHBondContact O-N 3.25Å; Q21-I24 PolarHBondContact O-N 3.17Å
22	S	30.1	Very low	38.8	Very low	81 Å²	81	103.3 Å²	103.3	57%	0.566	56%	0.557	S	S	*	*	H	α-helix	trans	-68.4	-6.3	173	56.9	0	0	0	0	114.9	T19 A20	T19-S22 PolarHBondContact O-OG 3.1Å; A20-S22 VanDerWaalsContact C-N 3.32Å; A20-S22 PolarHBondContact O-N 3.34Å
23	K	27.9	Very low	40	Very low	177 Å²	177	103 Å²	103	77%	0.77	55%	0.554	S	S	*	*	H	α-helix	trans	-109.1	-5.8	169.1	-76.2	-175	173	-179.7	0	113.9	A20 Q21	A20-K23 CarbonylContact O-C 3.56Å; A20-K23 WeakPolarHBondContact O-CA 3.38Å; A20-K23 PolarHBondContact O-N 2.93Å; Q21-K23 PolarHBondContact O-N 3.25Å
24	I	33.1	Very low	41.2	Very low	80 Å²	80	102.9 Å²	102.9	41%	0.41	55%	0.554	S	S	.	*	H	α-helix	trans	-86.4	-37.1	179.4	-76.2	166	0	0	0	111.2	A20 Q21 K98	A20-I24 WeakPolarHBondContact O-CG1 3.44Å; A20-I24 PolarHBondContact O-N 3.14Å; Q21-I24 PolarHBondContact O-N 3.17Å; I24-K98 PolarHBondContact O-NZ 2.59Å
25	F	29.7	Very low	42.6	Very low	162 Å²	162	102.5 Å²	102.5	71%	0.711	56%	0.555	S	S	*	*	S	Bend	trans	-103.4	103.6	164.7	-64.9	-84	0	0	0	108.2
26	G	31.2	Very low	44.3	Very low	57 Å²	57	104.6 Å²	104.6	59%	0.588	56%	0.557	S	S	*	*			trans	-66.5	147.3	-177.8	0	0	0	0	0	112.4	T28	G26-T28 PolarHBondContact O-N 3.47Å
27	E	34.3	Very low	45.8	Very low	179 Å²	179	99.5 Å²	99.5	84%	0.836	55%	0.548	S	S	*	.			trans	-57.9	109.9	176.3	-63.4	176.6	133.5	0	0	110.2	E29	E27-E29 VanDerWaalsContact C-N 3.34Å; E27-E29 PolarHBondContact O-N 3.39Å
28	T	44.3	Very low	47.2	Very low	116 Å²	116	100.8 Å²	100.8	71%	0.712	56%	0.564	S	S	*	*			trans	-77.8	84.3	178.7	53.6	0	0	0	0	110	G26	G26-T28 PolarHBondContact O-N 3.47Å
29	E	43.8	Very low	48.7	Very low	76 Å²	76	101.7 Å²	101.7	36%	0.355	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-51.3	129.6	167.4	-89.8	-153.1	96.3	0	0	110.5	E27 R32 P86 S89	E27-E29 VanDerWaalsContact C-N 3.34Å; E27-E29 PolarHBondContact O-N 3.39Å; E29-R32 IonicContact OE1-CZ 2.84Å; E29-R32 IonicContact OE1-NE 3.6Å; E29-R32 IonicContact OE1-NH2 2.72Å; E29-R32 PolarHBondContact OE1-NH2 3.39Å; E29-R32 IonicContact OE2-NH2 2.68Å; E29-P86 HydrophobicContact CB-CG 3.57Å; E29-S89 PolarHBondContact N-OG 3.48Å; E29-S89 PolarHBondContact O-OG 3.08Å
30	P	55.5	Low	50.6	Low	104 Å²	104	99.3 Å²	99.3	68%	0.675	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-69.4	149.2	177.7	28.3	-34	0	0	0	111.6	R32	P30-R32 PolarHBondContact O-N 3.29Å
31	V	59.7	Low	52.6	Low	44 Å²	44	106.1 Å²	106.1	27%	0.267	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-57.4	123.2	174.9	-178.6	0	0	0	0	109.8	C44 M46 A85	V31-C44 HydrophobicContact CG1-CB 4.39Å; V31-M46 HydrophobicContact CG2-CE 3.72Å; V31-M46 HydrophobicContact CG2-CG 4.04Å; V31-M46 HydrophobicContact CG2-SD 3.52Å; V31-M46 VanDerWaalsContact CG2-SD 3.52Å; V31-A85 HydrophobicContact CB-CB 4.5Å; V31-A85 HydrophobicContact CG1-CB 4.1Å; V31-A85 HydrophobicContact CG2-CB 3.97Å
32	R	59.3	Low	54.7	Low	157 Å²	157	101 Å²	101	59%	0.592	55%	0.548	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	129.2	-178.6	-58.4	-174	-174.6	-176	3.7	109.4	E29 P30 T84	E29-R32 IonicContact OE1-CZ 2.84Å; E29-R32 IonicContact OE1-NE 3.6Å; E29-R32 IonicContact OE1-NH2 2.72Å; E29-R32 PolarHBondContact OE1-NH2 3.39Å; E29-R32 IonicContact OE2-NH2 2.68Å; P30-R32 PolarHBondContact O-N 3.29Å; R32-T84 PolarHBondContact N-O 3.35Å; R32-T84 PolarHBondContact O-N 3.33Å
33	M	67.8	Low	56.6	Low	95 Å²	95	103.4 Å²	103.4	47%	0.468	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	136.3	179.1	-173.4	175.3	71.9	0	0	109.7	C42 C44	M33-C42 HydrophobicContact CE-CB 4.04Å; M33-C42 HydrophobicContact CG-CB 4.28Å; M33-C42 HydrophobicContact SD-CB 3.49Å; M33-C42 WeakPolarHBondContact SD-CB 3.32Å; M33-C44 VanDerWaalsContact CG-SG 3.6Å
34	T	69.8	Low	58.5	Low	85 Å²	85	96.6 Å²	96.6	52%	0.521	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	146.9	172.2	51.6	0	0	0	0	110	C81 S82	T34-C81 CarbonylContact O-C 3.51Å; T34-C81 WeakPolarHBondContact O-CA 3.06Å; T34-S82 PolarHBondContact N-O 2.77Å; T34-S82 PolarHBondContact O-N 3.22Å; T34-S82 PolarHBondContact OG1-O 3.24Å; T34-S82 PolarHBondContact OG1-OG 2.96Å
35	S	73.5	Confident	60	Low	75 Å²	75	95.8 Å²	95.8	52%	0.524	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	125.8	-174.8	58.6	0	0	0	0	110.7	C42	S35-C42 WeakPolarHBondContact CB-SG 3.46Å
36	E	72.4	Confident	61.7	Low	116 Å²	116	91.3 Å²	91.3	54%	0.542	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	117.4	-179.2	-177.5	177.1	-141.6	0	0	108.3	C40 K80	E36-C40 PolarHBondContact O-SG 3.22Å; E36-K80 HydrophobicContact CB-CB 4.35Å; E36-K80 PolarHBondContact N-O 3.35Å; E36-K80 PolarHBondContact O-N 3.48Å; E36-K80 WeakPolarHBondContact OE2-CD 3.36Å; E36-K80 WeakPolarHBondContact OE2-CE 3.27Å; E36-K80 IonicContact OE2-NZ 2.74Å; E36-K80 PolarHBondContact OE2-NZ 2.88Å
37	G	70.4	Confident	63.2	Low	43 Å²	43	94.7 Å²	94.7	44%	0.443	50%	0.496	S	S	.	.	S	Bend	trans	145.3	154.9	-174.2	0	0	0	0	0	113.1	D78	G37-D78 WeakPolarHBondContact CA-O 3.46Å
38	S	62.6	Low	64.3	Low	123 Å²	123	91.6 Å²	91.6	86%	0.86	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-23.7	-171.6	51.3	0	0	0	0	115.7
39	D	64.8	Low	65.3	Low	107 Å²	107	87.8 Å²	87.8	57%	0.572	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.6	60.7	174.5	-168.4	10	0	0	0	109.5	G76	D39-G76 WeakPolarHBondContact O-CA 3.26Å
40	C	71.4	Confident	66.3	Low	36 Å²	36	87.3 Å²	87.3	24%	0.243	47%	0.472	C	S	.	.			trans	-89.7	127.3	-173.5	-109.8	0	0	0	0	112.7	E36 C79	E36-C40 PolarHBondContact O-SG 3.22Å; C40-C79 WeakPolarHBondContact CA-SG 3.48Å; C40-C79 HydrophobicContact CB-CB 4.1Å; C40-C79 WeakPolarHBondContact CB-SG 3.36Å; C40-C79 WeakPolarHBondContact SG-CA 3.32Å; C40-C79 WeakPolarHBondContact SG-CB 3.49Å; C40-C79 CovalentContact SG-SG 2.04Å; C40-C79 PolarHBondContact SG-SG 3.35Å
41	R	73.6	Confident	66.7	Low	181 Å²	181	88.3 Å²	88.3	68%	0.683	47%	0.465	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.8	98	166.4	-59.4	-174.7	-172.2	-147.4	-0.4	110	S74 S75	R41-S74 CarbonylContact O-C 3.58Å; R41-S74 WeakPolarHBondContact O-CA 3.46Å; R41-S75 PolarHBondContact N-O 3.25Å; R41-S75 PolarHBondContact O-N 3.14Å
42	C	74	Confident	67	Low	26 Å²	26	90.9 Å²	90.9	18%	0.176	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	143.2	179.2	-57.5	0	0	0	0	111.5	M33 S35 V73 C81	M33-C42 HydrophobicContact CE-CB 4.04Å; M33-C42 HydrophobicContact CG-CB 4.28Å; M33-C42 HydrophobicContact SD-CB 3.49Å; M33-C42 WeakPolarHBondContact SD-CB 3.32Å; S35-C42 WeakPolarHBondContact CB-SG 3.46Å; C42-V73 CarbonylContact C-O 3.47Å; C42-V73 WeakPolarHBondContact CA-O 3.5Å; C42-C81 WeakPolarHBondContact CA-SG 3.11Å; C42-C81 HydrophobicContact CB-CB 3.75Å; C42-C81 WeakPolarHBondContact CB-SG 3.38Å; C42-C81 WeakPolarHBondContact SG-CB 3.31Å; C42-C81 CovalentContact SG-SG 2.03Å; C42-C81 PolarHBondContact SG-SG 3.19Å
43	K	69.9	Low	67.3	Low	132 Å²	132	83.5 Å²	83.5	57%	0.574	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.4	121.3	169.8	-177.2	177.5	-179.6	179.3	0	110.6	I45 V73	K43-I45 HydrophobicContact CD-CD1 4.46Å; K43-I45 HydrophobicContact CD-CG1 4.4Å; K43-I45 HydrophobicContact CG-CG1 4.24Å; K43-V73 HydrophobicContact CB-CB 4.48Å; K43-V73 PolarHBondContact N-O 3.2Å; K43-V73 PolarHBondContact O-N 3.18Å
44	C	67.9	Low	67.2	Low	35 Å²	35	80 Å²	80	24%	0.236	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	138.1	168.9	-49.8	0	0	0	0	110.3	V31 M33 V70 E71 C83	V31-C44 HydrophobicContact CG1-CB 4.39Å; M33-C44 VanDerWaalsContact CG-SG 3.6Å; C44-V70 HydrophobicContact CB-CG1 4.38Å; C44-E71 CarbonylContact C-O 3.59Å; C44-E71 WeakPolarHBondContact CA-O 3.23Å; C44-C83 WeakPolarHBondContact CA-SG 3.38Å; C44-C83 HydrophobicContact CB-CB 3.83Å; C44-C83 WeakPolarHBondContact CB-SG 3.48Å; C44-C83 WeakPolarHBondContact SG-CB 3.44Å; C44-C83 CovalentContact SG-SG 2.03Å; C44-C83 PolarHBondContact SG-SG 3.16Å
45	I	64.2	Low	67	Low	63 Å²	63	80 Å²	80	32%	0.323	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	116.2	173.1	-56.8	177.4	0	0	0	108	K43 V70 E71 V73	K43-I45 HydrophobicContact CD-CD1 4.46Å; K43-I45 HydrophobicContact CD-CG1 4.4Å; K43-I45 HydrophobicContact CG-CG1 4.24Å; I45-V70 CarbonylContact O-C 3.59Å; I45-V70 WeakPolarHBondContact O-CA 3.22Å; I45-E71 HydrophobicContact CB-CB 4.41Å; I45-E71 PolarHBondContact N-O 2.96Å; I45-E71 PolarHBondContact O-N 3.29Å; I45-V73 HydrophobicContact CD1-CG2 4.21Å
46	M	65.3	Low	66.8	Low	68 Å²	68	79.3 Å²	79.3	34%	0.335	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	133.6	170.8	-58.4	-144.3	-61	0	0	110	V31 T69 V70 A85 L90	V31-M46 HydrophobicContact CG2-CE 3.72Å; V31-M46 HydrophobicContact CG2-CG 4.04Å; V31-M46 HydrophobicContact CG2-SD 3.52Å; V31-M46 VanDerWaalsContact CG2-SD 3.52Å; M46-T69 WeakPolarHBondContact CA-O 3.47Å; M46-V70 HydrophobicContact CG-CG1 4.27Å; M46-V70 HydrophobicContact CG-CG2 4Å; M46-V70 HydrophobicContact SD-CG2 3.84Å; M46-A85 HydrophobicContact SD-CB 3.85Å; M46-L90 HydrophobicContact CE-CD1 4.47Å; M46-L90 HydrophobicContact CE-CD2 3.65Å; M46-L90 HydrophobicContact CE-CG 3.99Å; M46-L90 HydrophobicContact SD-CD1 4.12Å; M46-L90 HydrophobicContact SD-CD2 3.83Å; M46-L90 HydrophobicContact SD-CG 4.23Å
47	R	63.2	Low	66.4	Low	128 Å²	128	76.6 Å²	76.6	48%	0.483	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	130.9	167.1	-68.6	-163.5	-179.3	101.2	9.6	110.6	T69 E71	R47-T69 PolarHBondContact N-O 3.1Å; R47-T69 VanDerWaalsContact N-O 3.07Å; R47-E71 VanDerWaalsContact CZ-CD 3.44Å; R47-E71 IonicContact CZ-OE1 2.73Å; R47-E71 IonicContact CZ-OE2 2.77Å; R47-E71 IonicContact NH1-OE1 2.68Å; R47-E71 PolarHBondContact NH1-OE1 3.24Å; R47-E71 IonicContact NH1-OE2 3.89Å; R47-E71 IonicContact NH2-OE1 2.68Å; R47-E71 PolarHBondContact NH2-OE1 2.8Å; R47-E71 IonicContact NH2-OE2 2.69Å; R47-E71 PolarHBondContact NH2-OE2 2.96Å
48	P	57.7	Low	66.1	Low	114 Å²	114	84 Å²	84	74%	0.74	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-69.7	151.2	171.9	30.6	-34.5	0	0	0	111
49	L	65	Low	66.1	Low	36 Å²	36	81.4 Å²	81.4	19%	0.188	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-72.3	150.2	177	-75.8	165.1	0	0	0	112.1	A53 L57 D66	L49-A53 HydrophobicContact CD2-CB 4.14Å; L49-L57 HydrophobicContact CD1-CD1 4.43Å; L49-D66 VanDerWaalsContact CD2-O 3.31Å; L49-D66 WeakPolarHBondContact CD2-O 3.49Å
50	S	64	Low	65.8	Low	66 Å²	66	79.6 Å²	79.6	46%	0.462	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-79.6	157.9	173.4	71.9	0	0	0	0	111.8	D52 A53 C54	S50-D52 PolarHBondContact O-N 2.84Å; S50-A53 WeakPolarHBondContact O-CB 3.45Å; S50-A53 PolarHBondContact O-N 3.07Å; S50-A53 WeakPolarHBondContact OG-CB 3.39Å; S50-A53 PolarHBondContact OG-N 3.05Å; S50-C54 PolarHBondContact O-N 2.94Å
51	K	64.3	Low	65.4	Low	124 Å²	124	85.4 Å²	85.4	54%	0.539	43%	0.431	S	S	.	.	H	α-helix	trans	-64.1	-27.5	178.9	-168.2	154	-174.9	153	0	112.9	Q55 E96	K51-Q55 PolarHBondContact O-N 3.18Å; K51-E96 WeakPolarHBondContact CE-OE2 3.48Å; K51-E96 IonicContact NZ-OE1 2.67Å; K51-E96 PolarHBondContact NZ-OE1 2.79Å; K51-E96 IonicContact NZ-OE2 3.82Å; K51-E96 PolarHBondContact NZ-OE2 3.14Å
52	D	65.3	Low	64.6	Low	98 Å²	98	79.2 Å²	79.2	52%	0.524	42%	0.418	S	S	.	.	H	α-helix	trans	-77.6	-36.4	176.5	-54.6	-47.2	0	0	0	111.9	S50 C54 Q55 H56	S50-D52 PolarHBondContact O-N 2.84Å; D52-C54 VanDerWaalsContact C-N 3.33Å; D52-C54 PolarHBondContact O-N 2.72Å; D52-Q55 CarbonylContact O-C 3.53Å; D52-Q55 WeakPolarHBondContact O-CA 3.27Å; D52-Q55 WeakPolarHBondContact O-CB 3.22Å; D52-Q55 PolarHBondContact O-N 3.38Å; D52-H56 PolarHBondContact O-N 2.9Å
53	A	65.7	Low	64	Low	3 Å²	3	84.6 Å²	84.6	3%	0.025	44%	0.435	C	S	.	.	H	α-helix	trans	-59.7	-42.7	171.9	0	0	0	0	0	111.6	L49 S50 Q55 H56 L57 D66	L49-A53 HydrophobicContact CD2-CB 4.14Å; S50-A53 WeakPolarHBondContact O-CB 3.45Å; S50-A53 PolarHBondContact O-N 3.07Å; S50-A53 WeakPolarHBondContact OG-CB 3.39Å; S50-A53 PolarHBondContact OG-N 3.05Å; A53-Q55 PolarHBondContact O-N 3.38Å; A53-H56 PolarHBondContact O-N 2.87Å; A53-L57 WeakPolarHBondContact O-CB 3.16Å; A53-L57 WeakPolarHBondContact O-CG 3.41Å; A53-L57 PolarHBondContact O-N 3.4Å; A53-D66 VanDerWaalsContact CA-OD1 3.31Å; A53-D66 WeakPolarHBondContact CA-OD1 3.29Å; A53-D66 HydrophobicContact CB-CB 4Å; A53-D66 VanDerWaalsContact CB-OD1 3.32Å; A53-D66 WeakPolarHBondContact CB-OD1 3.47Å
54	C	66.8	Low	63.4	Low	21 Å²	21	82.5 Å²	82.5	14%	0.142	43%	0.433	C	S	.	.	H	α-helix	trans	-56.1	-33.6	171.1	-69.8	0	0	0	0	112.8	S50 D52 R58 C93	S50-C54 PolarHBondContact O-N 2.94Å; D52-C54 VanDerWaalsContact C-N 3.33Å; D52-C54 PolarHBondContact O-N 2.72Å; C54-R58 WeakPolarHBondContact O-CB 3.33Å; C54-R58 PolarHBondContact O-N 3.22Å; C54-R58 VanDerWaalsContact O-N 3.08Å; C54-C93 VanDerWaalsContact CA-SG 3.52Å; C54-C93 HydrophobicContact CB-CB 3.79Å; C54-C93 WeakPolarHBondContact CB-SG 3.42Å; C54-C93 WeakPolarHBondContact SG-CB 3.5Å; C54-C93 CovalentContact SG-SG 2.04Å; C54-C93 PolarHBondContact SG-SG 2.92Å
55	Q	66	Low	62.9	Low	84 Å²	84	87.3 Å²	87.3	39%	0.393	45%	0.452	S	S	.	.	H	α-helix	trans	-79.4	-33.1	177.6	-66.7	-174.3	71	0	0	113.3	K51 D52 A53 R58 S59	K51-Q55 PolarHBondContact O-N 3.18Å; D52-Q55 CarbonylContact O-C 3.53Å; D52-Q55 WeakPolarHBondContact O-CA 3.27Å; D52-Q55 WeakPolarHBondContact O-CB 3.22Å; D52-Q55 PolarHBondContact O-N 3.38Å; A53-Q55 PolarHBondContact O-N 3.38Å; Q55-R58 PolarHBondContact O-N 3.03Å; Q55-S59 WeakPolarHBondContact O-CB 3.5Å; Q55-S59 PolarHBondContact O-N 3.42Å; Q55-S59 PolarHBondContact O-OG 3.38Å
56	H	67.3	Low	62.5	Low	61 Å²	61	84.8 Å²	84.8	28%	0.282	44%	0.439	S	S	.	.	H	α-helix	trans	-67.4	-43.1	171.9	-62.9	149.1	0	0	0	111.8	D52 A53 S59 G60 K61 D66	D52-H56 PolarHBondContact O-N 2.9Å; A53-H56 PolarHBondContact O-N 2.87Å; H56-S59 WeakPolarHBondContact CA-OG 3.48Å; H56-S59 PolarHBondContact O-N 3.4Å; H56-S59 PolarHBondContact O-OG 3.37Å; H56-G60 PolarHBondContact O-N 2.87Å; H56-K61 PolarHBondContact O-N 2.87Å; H56-D66 WeakPolarHBondContact CB-OD2 3.19Å; H56-D66 IonicContact CG-OD2 2.81Å; H56-D66 IonicContact ND1-OD1 3.39Å; H56-D66 PolarHBondContact ND1-OD1 3.45Å; H56-D66 IonicContact ND1-OD2 3.64Å
57	L	64.7	Low	62.2	Low	60 Å²	60	84.6 Å²	84.6	31%	0.314	44%	0.436	S	S	.	.	H	α-helix	trans	-56.6	-50.2	170.5	-70.1	167.7	0	0	0	111	L49 A53 S59 G60 A62 D66 F67	L49-L57 HydrophobicContact CD1-CD1 4.43Å; A53-L57 WeakPolarHBondContact O-CB 3.16Å; A53-L57 WeakPolarHBondContact O-CG 3.41Å; A53-L57 PolarHBondContact O-N 3.4Å; L57-S59 PolarHBondContact O-N 3.22Å; L57-G60 PolarHBondContact O-N 3.28Å; L57-G60 VanDerWaalsContact O-N 3.13Å; L57-A62 HydrophobicContact CD2-CB 3.88Å; L57-D66 HydrophobicContact CG-CB 4.37Å; L57-F67 HydrophobicContact CD2-CE1 4.36Å; L57-F67 HydrophobicContact CD2-CZ 4.49Å
58	R	64.8	Low	61.9	Low	198 Å²	198	80.4 Å²	80.4	75%	0.747	42%	0.421	S	S	*	.	H	α-helix	trans	-58.5	-31.3	177.3	-173.5	-175.7	69.1	177.8	-3.4	113.7	C54 Q55	C54-R58 WeakPolarHBondContact O-CB 3.33Å; C54-R58 PolarHBondContact O-N 3.22Å; C54-R58 VanDerWaalsContact O-N 3.08Å; Q55-R58 PolarHBondContact O-N 3.03Å
59	S	61.4	Low	62.1	Low	69 Å²	69	76.5 Å²	76.5	48%	0.483	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	6.9	-178.9	54.9	0	0	0	0	114.1	Q55 H56 L57 K61	Q55-S59 WeakPolarHBondContact O-CB 3.5Å; Q55-S59 PolarHBondContact O-N 3.42Å; Q55-S59 PolarHBondContact O-OG 3.38Å; H56-S59 WeakPolarHBondContact CA-OG 3.48Å; H56-S59 PolarHBondContact O-N 3.4Å; H56-S59 PolarHBondContact O-OG 3.37Å; L57-S59 PolarHBondContact O-N 3.22Å; S59-K61 PolarHBondContact O-N 2.87Å
60	G	59.4	Low	61.9	Low	69 Å²	69	75.3 Å²	75.3	71%	0.711	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	71	10.9	179.6	0	0	0	0	0	114.6	H56 L57	H56-G60 PolarHBondContact O-N 2.87Å; L57-G60 PolarHBondContact O-N 3.28Å; L57-G60 VanDerWaalsContact O-N 3.13Å
61	K	62.1	Low	61.9	Low	158 Å²	158	74.4 Å²	74.4	69%	0.687	38%	0.377	S	S	*	.			trans	-103.6	38.2	-176.1	-65.6	-175	179.3	-178.6	0	112.3	H56 S59 R63	H56-K61 PolarHBondContact O-N 2.87Å; S59-K61 PolarHBondContact O-N 2.87Å; K61-R63 PolarHBondContact O-N 3.38Å
62	A	57.3	Low	62.1	Low	50 Å²	50	70.4 Å²	70.4	41%	0.413	36%	0.364	S	S	.	.			trans	-63.4	127.4	-174.7	0	0	0	0	0	112.6	L57 F67	L57-A62 HydrophobicContact CD2-CB 3.88Å; A62-F67 HydrophobicContact CB-CE2 4.27Å; A62-F67 HydrophobicContact CB-CZ 4.11Å
63	R	61.7	Low	62.3	Low	140 Å²	140	68.9 Å²	68.9	53%	0.528	36%	0.358	S	S	.	.			trans	-97.4	170.3	172.9	-54.6	-179.3	-174.8	-164.1	2.4	110.9	K61 E65 D66 F67	K61-R63 PolarHBondContact O-N 3.38Å; R63-E65 WeakPolarHBondContact CD-OE2 3.44Å; R63-E65 PolarHBondContact O-N 3.31Å; R63-D66 WeakPolarHBondContact CB-OD2 3.36Å; R63-D66 WeakPolarHBondContact CG-OD2 3.39Å; R63-D66 PolarHBondContact N-OD2 2.79Å; R63-D66 PolarHBondContact O-N 2.82Å; R63-D66 VanDerWaalsContact O-N 3.11Å; R63-F67 WeakPolarHBondContact O-CD2 3.25Å; R63-F67 WeakPolarHBondContact O-CE2 3.34Å
64	V	56.5	Low	62.4	Low	88 Å²	88	70.4 Å²	70.4	53%	0.533	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-66.1	-29.7	174.8	-175	0	0	0	0	110.9	D66 Y275	V64-D66 VanDerWaalsContact C-N 3.32Å; V64-D66 PolarHBondContact O-N 3.3Å; V64-Y275 HydrophobicContact CG1-CD1 3.63Å; V64-Y275 HydrophobicContact CG1-CE1 3.83Å; V64-Y275 HydrophobicContact CG1-CG 4.26Å
65	E	58	Low	62.3	Low	135 Å²	135	73.1 Å²	73.1	63%	0.631	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-69	-20.6	172	-48.6	92.8	-95	0	0	114.7	R63 F67	R63-E65 WeakPolarHBondContact CD-OE2 3.44Å; R63-E65 PolarHBondContact O-N 3.31Å; E65-F67 PolarHBondContact O-N 3.09Å
66	D	56.3	Low	62.4	Low	10 Å²	10	70.9 Å²	70.9	5%	0.053	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-85	13.8	-174.6	-60.6	-45.2	0	0	0	113.1	L49 A53 H56 L57 R63 V64	L49-D66 VanDerWaalsContact CD2-O 3.31Å; L49-D66 WeakPolarHBondContact CD2-O 3.49Å; A53-D66 VanDerWaalsContact CA-OD1 3.31Å; A53-D66 WeakPolarHBondContact CA-OD1 3.29Å; A53-D66 HydrophobicContact CB-CB 4Å; A53-D66 VanDerWaalsContact CB-OD1 3.32Å; A53-D66 WeakPolarHBondContact CB-OD1 3.47Å; H56-D66 WeakPolarHBondContact CB-OD2 3.19Å; H56-D66 IonicContact CG-OD2 2.81Å; H56-D66 IonicContact ND1-OD1 3.39Å; H56-D66 PolarHBondContact ND1-OD1 3.45Å; H56-D66 IonicContact ND1-OD2 3.64Å; L57-D66 HydrophobicContact CG-CB 4.37Å; R63-D66 WeakPolarHBondContact CB-OD2 3.36Å; R63-D66 WeakPolarHBondContact CG-OD2 3.39Å; R63-D66 PolarHBondContact N-OD2 2.79Å; R63-D66 PolarHBondContact O-N 2.82Å; R63-D66 VanDerWaalsContact O-N 3.11Å; V64-D66 VanDerWaalsContact C-N 3.32Å; V64-D66 PolarHBondContact O-N 3.3Å
67	F	57.8	Low	62.3	Low	64 Å²	64	72.5 Å²	72.5	28%	0.281	41%	0.405	S	S	.	.	S	Bend	trans	-114	150.9	178.1	-65.2	-82.4	0	0	0	111.9	L57 A62 R63 E65	L57-F67 HydrophobicContact CD2-CE1 4.36Å; L57-F67 HydrophobicContact CD2-CZ 4.49Å; A62-F67 HydrophobicContact CB-CE2 4.27Å; A62-F67 HydrophobicContact CB-CZ 4.11Å; R63-F67 WeakPolarHBondContact O-CD2 3.25Å; R63-F67 WeakPolarHBondContact O-CE2 3.34Å; E65-F67 PolarHBondContact O-N 3.09Å
68	Y	57.6	Low	62.4	Low	40 Å²	40	75.5 Å²	75.5	16%	0.157	42%	0.421	C	S	.	.			trans	-61.1	141.1	177.2	66.1	-95	0	0	0	110.7	V70 L90 Y276	Y68-V70 HydrophobicContact CD2-CG2 4.03Å; Y68-V70 HydrophobicContact CE2-CG2 4.21Å; Y68-L90 HydrophobicContact CD1-CB 4.25Å; Y68-L90 HydrophobicContact CD1-CD1 4.05Å; Y68-L90 HydrophobicContact CD1-CD2 3.98Å; Y68-L90 HydrophobicContact CD1-CG 4.33Å; Y68-L90 HydrophobicContact CD2-CD1 3.64Å; Y68-L90 HydrophobicContact CD2-CD2 3.84Å; Y68-L90 HydrophobicContact CD2-CG 4.37Å; Y68-L90 HydrophobicContact CE1-CB 4.35Å; Y68-L90 HydrophobicContact CE1-CD1 3.88Å; Y68-L90 HydrophobicContact CE2-CD1 3.47Å; Y68-L90 VanDerWaalsContact CE2-CD1 3.47Å; Y68-L90 HydrophobicContact CG-CD1 3.96Å; Y68-L90 HydrophobicContact CG-CD2 3.56Å; Y68-L90 HydrophobicContact CG-CG 4.27Å; Y68-Y276 HydrophobicContact CE2-CD2 4.42Å
69	T	61.3	Low	62.6	Low	33 Å²	33	66.9 Å²	66.9	20%	0.202	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	132.1	176.9	43.7	0	0	0	0	110.2	M46 R47	M46-T69 WeakPolarHBondContact CA-O 3.47Å; R47-T69 PolarHBondContact N-O 3.1Å; R47-T69 VanDerWaalsContact N-O 3.07Å
70	V	62.4	Low	63.2	Low	10 Å²	10	70.2 Å²	70.2	6%	0.061	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	98.6	175.7	-170.7	0	0	0	0	108	C44 I45 M46 Y68 C83 A85	C44-V70 HydrophobicContact CB-CG1 4.38Å; I45-V70 CarbonylContact O-C 3.59Å; I45-V70 WeakPolarHBondContact O-CA 3.22Å; M46-V70 HydrophobicContact CG-CG1 4.27Å; M46-V70 HydrophobicContact CG-CG2 4Å; M46-V70 HydrophobicContact SD-CG2 3.84Å; Y68-V70 HydrophobicContact CD2-CG2 4.03Å; Y68-V70 HydrophobicContact CE2-CG2 4.21Å; V70-C83 HydrophobicContact CG1-CB 3.59Å; V70-A85 HydrophobicContact CG2-CB 4.41Å
71	E	64.2	Low	63.9	Low	47 Å²	47	68 Å²	68	22%	0.22	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	129.2	174.7	-69	-175.9	153.4	0	0	109.8	C44 I45 R47	C44-E71 CarbonylContact C-O 3.59Å; C44-E71 WeakPolarHBondContact CA-O 3.23Å; I45-E71 HydrophobicContact CB-CB 4.41Å; I45-E71 PolarHBondContact N-O 2.96Å; I45-E71 PolarHBondContact O-N 3.29Å; R47-E71 VanDerWaalsContact CZ-CD 3.44Å; R47-E71 IonicContact CZ-OE1 2.73Å; R47-E71 IonicContact CZ-OE2 2.77Å; R47-E71 IonicContact NH1-OE1 2.68Å; R47-E71 PolarHBondContact NH1-OE1 3.24Å; R47-E71 IonicContact NH1-OE2 3.89Å; R47-E71 IonicContact NH2-OE1 2.68Å; R47-E71 PolarHBondContact NH2-OE1 2.8Å; R47-E71 IonicContact NH2-OE2 2.69Å; R47-E71 PolarHBondContact NH2-OE2 2.96Å
72	T	67.6	Low	64.3	Low	41 Å²	41	63 Å²	63	25%	0.252	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	111	175.1	-56.3	0	0	0	0	108.7	C81 C83	T72-C81 HydrophobicContact CG2-CB 3.43Å; T72-C81 VanDerWaalsContact CG2-CB 3.43Å; T72-C83 PolarHBondContact OG1-SG 2.85Å
73	V	68.6	Low	65	Low	66 Å²	66	60.7 Å²	60.7	40%	0.4	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	120.1	175.4	-175.4	0	0	0	0	108.7	C42 K43 I45	C42-V73 CarbonylContact C-O 3.47Å; C42-V73 WeakPolarHBondContact CA-O 3.5Å; K43-V73 HydrophobicContact CB-CB 4.48Å; K43-V73 PolarHBondContact N-O 3.2Å; K43-V73 PolarHBondContact O-N 3.18Å; I45-V73 HydrophobicContact CD1-CG2 4.21Å
74	S	69.6	Low	65.2	Low	35 Å²	35	57.7 Å²	57.7	25%	0.245	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	136	-178.5	58.5	0	0	0	0	111.4	R41 C81	R41-S74 CarbonylContact O-C 3.58Å; R41-S74 WeakPolarHBondContact O-CA 3.46Å; S74-C81 WeakPolarHBondContact CB-SG 3.34Å
75	S	64.7	Low	65.3	Low	78 Å²	78	54.1 Å²	54.1	55%	0.545	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	138.9	168.3	-170.2	0	0	0	0	110.7	R41	R41-S75 PolarHBondContact N-O 3.25Å; R41-S75 PolarHBondContact O-N 3.14Å
76	G	66.6	Low	65.3	Low	37 Å²	37	48.6 Å²	48.6	38%	0.381	29%	0.289	S	S	.	.	S	Bend	trans	138.9	155.1	-167.9	0	0	0	0	0	110.2	D39	D39-G76 WeakPolarHBondContact O-CA 3.26Å
77	S	66.4	Low	65.1	Low	94 Å²	94	53.5 Å²	53.5	66%	0.657	32%	0.321	S	S	*	.	S	Bend	trans	-69.3	-51.1	179	54.5	0	0	0	0	111.6
78	D	65.2	Low	64.8	Low	124 Å²	124	54.5 Å²	54.5	66%	0.663	34%	0.337	S	S	*	.	S	Bend	trans	-118.6	45.2	-173	-55	-78.9	0	0	0	109.7	G37	G37-D78 WeakPolarHBondContact CA-O 3.46Å
79	C	70.4	Confident	64.4	Low	17 Å²	17	54.2 Å²	54.2	12%	0.115	34%	0.34	C	S	.	.			trans	-103.7	125.4	-177.7	-176.4	0	0	0	0	112.1	C40 C81	C40-C79 WeakPolarHBondContact CA-SG 3.48Å; C40-C79 HydrophobicContact CB-CB 4.1Å; C40-C79 WeakPolarHBondContact CB-SG 3.36Å; C40-C79 WeakPolarHBondContact SG-CA 3.32Å; C40-C79 WeakPolarHBondContact SG-CB 3.49Å; C40-C79 CovalentContact SG-SG 2.04Å; C40-C79 PolarHBondContact SG-SG 3.35Å; C79-C81 PolarHBondContact SG-SG 3.13Å
80	K	73.2	Confident	64	Low	139 Å²	139	53.6 Å²	53.6	60%	0.604	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.4	103.6	178.4	178.3	176.1	157.9	-145.3	0	109	E36	E36-K80 HydrophobicContact CB-CB 4.35Å; E36-K80 PolarHBondContact N-O 3.35Å; E36-K80 PolarHBondContact O-N 3.48Å; E36-K80 WeakPolarHBondContact OE2-CD 3.36Å; E36-K80 WeakPolarHBondContact OE2-CE 3.27Å; E36-K80 IonicContact OE2-NZ 2.74Å; E36-K80 PolarHBondContact OE2-NZ 2.88Å
81	C	73.4	Confident	63.6	Low	22 Å²	22	56.5 Å²	56.5	15%	0.149	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	145	178.6	-54.9	0	0	0	0	110.4	T34 C42 T72 S74 C79	T34-C81 CarbonylContact O-C 3.51Å; T34-C81 WeakPolarHBondContact O-CA 3.06Å; C42-C81 WeakPolarHBondContact CA-SG 3.11Å; C42-C81 HydrophobicContact CB-CB 3.75Å; C42-C81 WeakPolarHBondContact CB-SG 3.38Å; C42-C81 WeakPolarHBondContact SG-CB 3.31Å; C42-C81 CovalentContact SG-SG 2.03Å; C42-C81 PolarHBondContact SG-SG 3.19Å; T72-C81 HydrophobicContact CG2-CB 3.43Å; T72-C81 VanDerWaalsContact CG2-CB 3.43Å; S74-C81 WeakPolarHBondContact CB-SG 3.34Å; C79-C81 PolarHBondContact SG-SG 3.13Å
82	S	72.1	Confident	63.1	Low	53 Å²	53	57.5 Å²	57.5	37%	0.371	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	144.9	162.3	87.5	0	0	0	0	112.1	T34	T34-S82 PolarHBondContact N-O 2.77Å; T34-S82 PolarHBondContact O-N 3.22Å; T34-S82 PolarHBondContact OG1-O 3.24Å; T34-S82 PolarHBondContact OG1-OG 2.96Å
83	C	71.3	Confident	62.6	Low	2 Å²	2	56.7 Å²	56.7	1%	0.014	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	123.2	-177.5	-63.2	0	0	0	0	109.6	C44 V70 T72 Y276	C44-C83 WeakPolarHBondContact CA-SG 3.38Å; C44-C83 HydrophobicContact CB-CB 3.83Å; C44-C83 WeakPolarHBondContact CB-SG 3.48Å; C44-C83 WeakPolarHBondContact SG-CB 3.44Å; C44-C83 CovalentContact SG-SG 2.03Å; C44-C83 PolarHBondContact SG-SG 3.16Å; V70-C83 HydrophobicContact CG1-CB 3.59Å; T72-C83 PolarHBondContact OG1-SG 2.85Å; C83-Y276 PolarHBondContact O-OH 3.25Å
84	T	65.3	Low	62.1	Low	77 Å²	77	58.2 Å²	58.2	47%	0.472	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	119.7	-179.7	-56.3	0	0	0	0	109.2	R32	R32-T84 PolarHBondContact N-O 3.35Å; R32-T84 PolarHBondContact O-N 3.33Å
85	A	59.6	Low	61.4	Low	13 Å²	13	60.5 Å²	60.5	11%	0.107	37%	0.37	C	S	.	.			trans	-103.7	133.6	177.9	0	0	0	0	0	110.4	V31 M46 V70 L90	V31-A85 HydrophobicContact CB-CB 4.5Å; V31-A85 HydrophobicContact CG1-CB 4.1Å; V31-A85 HydrophobicContact CG2-CB 3.97Å; M46-A85 HydrophobicContact SD-CB 3.85Å; V70-A85 HydrophobicContact CG2-CB 4.41Å; A85-L90 HydrophobicContact CB-CD1 3.39Å
86	P	57.2	Low	61	Low	19 Å²	19	61.4 Å²	61.4	12%	0.123	37%	0.365	C	S	.	.			trans	-71.4	148.1	175.1	28.2	-31	0	0	0	111.1	E29 S88 S89	E29-P86 HydrophobicContact CB-CG 3.57Å; P86-S88 PolarHBondContact O-N 2.82Å; P86-S89 PolarHBondContact O-N 3.06Å
87	P	52.9	Low	60.7	Low	112 Å²	112	65.9 Å²	65.9	73%	0.727	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-67.8	-20.9	-172.1	27.2	-35.4	0	0	0	114	S89	P87-S89 VanDerWaalsContact C-N 3.31Å; P87-S89 PolarHBondContact O-N 3.19Å
88	S	51.1	Low	60.2	Low	86 Å²	86	64.9 Å²	64.9	60%	0.601	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-66.7	-26.1	179	40.7	0	0	0	0	113.9	P86 L90	P86-S88 PolarHBondContact O-N 2.82Å; S88-L90 PolarHBondContact O-N 3.22Å
89	S	50.2	Low	59.8	Low	34 Å²	34	65.6 Å²	65.6	24%	0.238	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-95	14.5	-171.6	-47.5	0	0	0	0	114.1	E29 P86 P87	E29-S89 PolarHBondContact N-OG 3.48Å; E29-S89 PolarHBondContact O-OG 3.08Å; P86-S89 PolarHBondContact O-N 3.06Å; P87-S89 VanDerWaalsContact C-N 3.31Å; P87-S89 PolarHBondContact O-N 3.19Å
90	L	52	Low	59.2	Low	19 Å²	19	69.8 Å²	69.8	10%	0.099	37%	0.373	C	S	.	.			trans	-140.4	17.1	-150.7	-99.1	172.6	0	0	0	118.1	M46 Y68 A85 S88 P92	M46-L90 HydrophobicContact CE-CD1 4.47Å; M46-L90 HydrophobicContact CE-CD2 3.65Å; M46-L90 HydrophobicContact CE-CG 3.99Å; M46-L90 HydrophobicContact SD-CD1 4.12Å; M46-L90 HydrophobicContact SD-CD2 3.83Å; M46-L90 HydrophobicContact SD-CG 4.23Å; Y68-L90 HydrophobicContact CD1-CB 4.25Å; Y68-L90 HydrophobicContact CD1-CD1 4.05Å; Y68-L90 HydrophobicContact CD1-CD2 3.98Å; Y68-L90 HydrophobicContact CD1-CG 4.33Å; Y68-L90 HydrophobicContact CD2-CD1 3.64Å; Y68-L90 HydrophobicContact CD2-CD2 3.84Å; Y68-L90 HydrophobicContact CD2-CG 4.37Å; Y68-L90 HydrophobicContact CE1-CB 4.35Å; Y68-L90 HydrophobicContact CE1-CD1 3.88Å; Y68-L90 HydrophobicContact CE2-CD1 3.47Å; Y68-L90 VanDerWaalsContact CE2-CD1 3.47Å; Y68-L90 HydrophobicContact CG-CD1 3.96Å; Y68-L90 HydrophobicContact CG-CD2 3.56Å; Y68-L90 HydrophobicContact CG-CG 4.27Å; A85-L90 HydrophobicContact CB-CD1 3.39Å; S88-L90 PolarHBondContact O-N 3.22Å; L90-P92 WeakPolarHBondContact O-CD 3.43Å
91	N	54.3	Low	58.5	Low	71 Å²	71	68.8 Å²	68.8	38%	0.38	37%	0.369	S	S	.	.			trans	-122.2	82.6	174.6	-167	6.2	0	0	0	113.3	C93 E94	N91-C93 PolarHBondContact O-N 2.79Å; N91-C93 VanDerWaalsContact OD1-CB 3.31Å; N91-C93 WeakPolarHBondContact OD1-CB 3.43Å; N91-C93 PolarHBondContact OD1-N 2.6Å; N91-E94 HydrophobicContact CB-CB 4.1Å; N91-E94 PolarHBondContact ND2-OE2 3.4Å; N91-E94 WeakPolarHBondContact O-CB 3.39Å; N91-E94 PolarHBondContact O-N 3.11Å
92	P	52.4	Low	57.6	Low	69 Å²	69	73 Å²	73	45%	0.448	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-30.6	175.8	-24.6	34.7	0	0	0	113.5	L90 E94 N95	L90-P92 WeakPolarHBondContact O-CD 3.43Å; P92-E94 PolarHBondContact O-N 3.16Å; P92-E94 VanDerWaalsContact O-N 3.16Å; P92-N95 PolarHBondContact O-N 3.03Å
93	C	58.3	Low	56.8	Low	24 Å²	24	75.8 Å²	75.8	16%	0.162	40%	0.395	C	S	.	.	H	α-helix	trans	-61.4	-22	176.1	-39.9	0	0	0	0	112.1	C54 N91 N95	C54-C93 VanDerWaalsContact CA-SG 3.52Å; C54-C93 HydrophobicContact CB-CB 3.79Å; C54-C93 WeakPolarHBondContact CB-SG 3.42Å; C54-C93 WeakPolarHBondContact SG-CB 3.5Å; C54-C93 CovalentContact SG-SG 2.04Å; C54-C93 PolarHBondContact SG-SG 2.92Å; N91-C93 PolarHBondContact O-N 2.79Å; N91-C93 VanDerWaalsContact OD1-CB 3.31Å; N91-C93 WeakPolarHBondContact OD1-CB 3.43Å; N91-C93 PolarHBondContact OD1-N 2.6Å; C93-N95 VanDerWaalsContact C-N 3.27Å; C93-N95 PolarHBondContact O-N 2.77Å
94	E	57.3	Low	56.2	Low	97 Å²	97	84 Å²	84	45%	0.453	43%	0.43	S	S	.	.	H	α-helix	trans	-79.3	-2.2	-176.8	-145.7	171.8	152.9	0	0	114.7	N91 P92 W97	N91-E94 HydrophobicContact CB-CB 4.1Å; N91-E94 PolarHBondContact ND2-OE2 3.4Å; N91-E94 WeakPolarHBondContact O-CB 3.39Å; N91-E94 PolarHBondContact O-N 3.11Å; P92-E94 PolarHBondContact O-N 3.16Å; P92-E94 VanDerWaalsContact O-N 3.16Å; E94-W97 VanDerWaalsContact C-NE1 3.31Å; E94-W97 VanDerWaalsContact CA-CD1 3.4Å; E94-W97 HydrophobicContact CG-CZ2 4.35Å; E94-W97 PolarHBondContact O-NE1 3.34Å
95	N	56.1	Low	55.9	Low	84 Å²	84	87 Å²	87	45%	0.449	44%	0.439	S	S	.	.	H	α-helix	trans	-103	-33.1	171.9	-69.5	-40	0	0	0	112.8	P92 C93 K98 M99	P92-N95 PolarHBondContact O-N 3.03Å; C93-N95 VanDerWaalsContact C-N 3.27Å; C93-N95 PolarHBondContact O-N 2.77Å; N95-K98 WeakPolarHBondContact O-CB 3.42Å; N95-K98 PolarHBondContact O-N 2.92Å; N95-M99 WeakPolarHBondContact O-CG 3.38Å; N95-M99 PolarHBondContact O-N 2.93Å
96	E	55.8	Low	55.6	Low	97 Å²	97	88.2 Å²	88.2	45%	0.453	45%	0.449	S	S	.	.	H	α-helix	trans	-63.4	-45.1	176.1	-74.2	-157.4	132.7	0	0	112.6	K51 K98 M99 E100	K51-E96 WeakPolarHBondContact CE-OE2 3.48Å; K51-E96 IonicContact NZ-OE1 2.67Å; K51-E96 PolarHBondContact NZ-OE1 2.79Å; K51-E96 IonicContact NZ-OE2 3.82Å; K51-E96 PolarHBondContact NZ-OE2 3.14Å; E96-K98 VanDerWaalsContact C-N 3.32Å; E96-K98 PolarHBondContact O-N 3.46Å; E96-M99 WeakPolarHBondContact O-CB 3.41Å; E96-M99 PolarHBondContact O-N 2.95Å; E96-E100 WeakPolarHBondContact O-CB 3.31Å; E96-E100 PolarHBondContact O-N 3.1Å
97	W	60.9	Low	55.5	Low	131 Å²	131	91.6 Å²	91.6	50%	0.496	47%	0.471	S	S	.	.	H	α-helix	trans	-66.6	-31.2	179.3	78.8	-66.1	0	0	0	113.3	E94 E100 K101	E94-W97 VanDerWaalsContact C-NE1 3.31Å; E94-W97 VanDerWaalsContact CA-CD1 3.4Å; E94-W97 HydrophobicContact CG-CZ2 4.35Å; E94-W97 PolarHBondContact O-NE1 3.34Å; W97-E100 PolarHBondContact O-N 3.39Å; W97-K101 HydrophobicContact CZ3-CD 4.48Å; W97-K101 VanDerWaalsContact O-CB 3.27Å; W97-K101 WeakPolarHBondContact O-CB 3.27Å; W97-K101 PolarHBondContact O-N 2.93Å
98	K	55.8	Low	55.8	Low	72 Å²	72	92.4 Å²	92.4	31%	0.313	47%	0.465	S	S	.	.	H	α-helix	trans	-60.2	-47.9	173.1	-110.6	172.9	177.2	168.7	0	109.6	I24 N95 E96 K101 L102	I24-K98 PolarHBondContact O-NZ 2.59Å; N95-K98 WeakPolarHBondContact O-CB 3.42Å; N95-K98 PolarHBondContact O-N 2.92Å; E96-K98 VanDerWaalsContact C-N 3.32Å; E96-K98 PolarHBondContact O-N 3.46Å; K98-K101 PolarHBondContact O-N 2.81Å; K98-L102 WeakPolarHBondContact O-CG 3.37Å; K98-L102 PolarHBondContact O-N 3.04Å
99	M	55.4	Low	55.7	Low	139 Å²	139	93.9 Å²	93.9	69%	0.685	47%	0.465	S	S	*	.	H	α-helix	trans	-63	-46	174.9	-65.7	-93.7	-83.4	0	0	111.9	N95 E96 K101 L102 K103	N95-M99 WeakPolarHBondContact O-CG 3.38Å; N95-M99 PolarHBondContact O-N 2.93Å; E96-M99 WeakPolarHBondContact O-CB 3.41Å; E96-M99 PolarHBondContact O-N 2.95Å; M99-K101 VanDerWaalsContact C-N 3.3Å; M99-K101 PolarHBondContact O-N 3.41Å; M99-L102 PolarHBondContact O-N 3.43Å; M99-K103 WeakPolarHBondContact O-CB 3.44Å; M99-K103 PolarHBondContact O-N 3.35Å
100	E	59.2	Low	55.9	Low	106 Å²	106	95.9 Å²	95.9	50%	0.495	47%	0.473	S	S	.	.	H	α-helix	trans	-64.2	-32.6	178.8	-160.9	73	-113.2	0	0	112.5	E96 W97 K104	E96-E100 WeakPolarHBondContact O-CB 3.31Å; E96-E100 PolarHBondContact O-N 3.1Å; W97-E100 PolarHBondContact O-N 3.39Å; E100-K104 PolarHBondContact O-N 2.96Å
101	K	57.1	Low	56	Low	117 Å²	117	100.4 Å²	100.4	51%	0.509	49%	0.492	S	S	.	.	H	α-helix	trans	-72.7	-43.5	174.8	-170.7	175.1	179.1	-178.6	0	111.6	W97 K98 M99 K103 K104 Q105	W97-K101 HydrophobicContact CZ3-CD 4.48Å; W97-K101 VanDerWaalsContact O-CB 3.27Å; W97-K101 WeakPolarHBondContact O-CB 3.27Å; W97-K101 PolarHBondContact O-N 2.93Å; K98-K101 PolarHBondContact O-N 2.81Å; M99-K101 VanDerWaalsContact C-N 3.3Å; M99-K101 PolarHBondContact O-N 3.41Å; K101-K103 VanDerWaalsContact C-N 3.33Å; K101-K103 PolarHBondContact O-N 3.21Å; K101-K104 PolarHBondContact O-N 3.35Å; K101-K104 VanDerWaalsContact O-N 3.17Å; K101-Q105 PolarHBondContact O-N 3.48Å
102	L	55	Low	56	Low	112 Å²	112	102.8 Å²	102.8	59%	0.586	50%	0.504	S	S	*	.	H	α-helix	trans	-59.2	-43.3	172.2	-73.8	164.7	0	0	0	111.5	K98 M99 K104 Q105 A106	K98-L102 WeakPolarHBondContact O-CG 3.37Å; K98-L102 PolarHBondContact O-N 3.04Å; M99-L102 PolarHBondContact O-N 3.43Å; L102-K104 PolarHBondContact O-N 2.9Å; L102-K104 VanDerWaalsContact O-N 3.14Å; L102-Q105 PolarHBondContact O-N 3.05Å; L102-A106 PolarHBondContact O-N 3.07Å; L102-A106 VanDerWaalsContact O-N 3.1Å
103	K	55.2	Low	56	Low	110 Å²	110	104 Å²	104	48%	0.478	50%	0.503	S	S	.	.	H	α-helix	trans	-58.3	-24.1	176.3	-167.3	173.4	-176.5	175.9	0	113.7	M99 K101	M99-K103 WeakPolarHBondContact O-CB 3.44Å; M99-K103 PolarHBondContact O-N 3.35Å; K101-K103 VanDerWaalsContact C-N 3.33Å; K101-K103 PolarHBondContact O-N 3.21Å
104	K	59.9	Low	56	Low	175 Å²	175	105.9 Å²	105.9	76%	0.761	52%	0.517	S	S	*	.	H	α-helix	trans	-91.7	-16.4	173.2	-70.1	-176.3	-179.7	-175.2	0	114.7	E100 K101 L102	E100-K104 PolarHBondContact O-N 2.96Å; K101-K104 PolarHBondContact O-N 3.35Å; K101-K104 VanDerWaalsContact O-N 3.17Å; L102-K104 PolarHBondContact O-N 2.9Å; L102-K104 VanDerWaalsContact O-N 3.14Å
105	Q	57.7	Low	55.9	Low	140 Å²	140	107 Å²	107	65%	0.654	52%	0.524	S	S	*	.	H	α-helix	trans	-98.1	-17.1	-179.4	-70.4	-171.6	-113.7	0	0	113.8	K101 L102	K101-Q105 PolarHBondContact O-N 3.48Å; L102-Q105 PolarHBondContact O-N 3.05Å
106	A	53.7	Low	56.4	Low	38 Å²	38	106.4 Å²	106.4	31%	0.314	52%	0.523	S	S	.	.			trans	-133.4	74.3	-176	0	0	0	0	0	113.3	L102 E108 L109	L102-A106 PolarHBondContact O-N 3.07Å; L102-A106 VanDerWaalsContact O-N 3.1Å; A106-E108 PolarHBondContact O-N 2.55Å; A106-L109 HydrophobicContact CB-CD1 3.99Å; A106-L109 PolarHBondContact O-N 3.49Å
107	P	56.1	Low	56.5	Low	90 Å²	90	105.5 Å²	105.5	58%	0.584	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-23.6	-177.6	26.1	-34.8	0	0	0	114.2	L109 L110	P107-L109 VanDerWaalsContact C-N 3.3Å; P107-L109 PolarHBondContact O-N 3.05Å; P107-L110 WeakPolarHBondContact O-CB 3.43Å; P107-L110 PolarHBondContact O-N 3.05Å
108	E	57.9	Low	56.7	Low	129 Å²	129	105 Å²	105	60%	0.603	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-29.5	177.8	-76	-66.1	134.9	0	0	113.4	A106 L110 K111	A106-E108 PolarHBondContact O-N 2.55Å; E108-L110 PolarHBondContact O-N 3.36Å; E108-K111 PolarHBondContact O-N 2.74Å; E108-K111 IonicContact OE1-NZ 3.17Å; E108-K111 PolarHBondContact OE1-NZ 3.5Å; E108-K111 WeakPolarHBondContact OE2-CE 3.14Å; E108-K111 IonicContact OE2-NZ 3.15Å; E108-K111 PolarHBondContact OE2-NZ 3.22Å
109	L	50.1	Low	56.8	Low	117 Å²	117	107 Å²	107	61%	0.613	54%	0.541	S	S	*	.	H	α-helix	trans	-66.8	-19.4	176	-80.9	167.7	0	0	0	113.2	A106 P107 K111 L112 H113	A106-L109 HydrophobicContact CB-CD1 3.99Å; A106-L109 PolarHBondContact O-N 3.49Å; P107-L109 VanDerWaalsContact C-N 3.3Å; P107-L109 PolarHBondContact O-N 3.05Å; L109-K111 PolarHBondContact O-N 3.38Å; L109-L112 PolarHBondContact O-N 3.32Å; L109-H113 PolarHBondContact O-N 2.69Å; L109-H113 VanDerWaalsContact O-N 3.09Å
110	L	53.1	Low	57.2	Low	76 Å²	76	104.5 Å²	104.5	40%	0.398	53%	0.528	S	S	.	.	H	α-helix	trans	-68.3	-21.4	176.1	-68.5	167.2	0	0	0	112.7	P107 E108 S114	P107-L110 WeakPolarHBondContact O-CB 3.43Å; P107-L110 PolarHBondContact O-N 3.05Å; E108-L110 PolarHBondContact O-N 3.36Å; L110-S114 WeakPolarHBondContact O-CB 3.43Å; L110-S114 PolarHBondContact O-N 3.44Å; L110-S114 PolarHBondContact O-OG 3.41Å; L110-S114 VanDerWaalsContact O-OG 3.1Å
111	K	54.3	Low	57.4	Low	115 Å²	115	101.1 Å²	101.1	50%	0.5	52%	0.522	S	S	.	.	H	α-helix	trans	-62.5	-49.8	171.9	-67.7	173.3	-172.9	162.3	0	110.2	E108 L109 S114 M115	E108-K111 PolarHBondContact O-N 2.74Å; E108-K111 IonicContact OE1-NZ 3.17Å; E108-K111 PolarHBondContact OE1-NZ 3.5Å; E108-K111 WeakPolarHBondContact OE2-CE 3.14Å; E108-K111 IonicContact OE2-NZ 3.15Å; E108-K111 PolarHBondContact OE2-NZ 3.22Å; L109-K111 PolarHBondContact O-N 3.38Å; K111-S114 PolarHBondContact O-N 3.3Å; K111-S114 PolarHBondContact O-OG 2.04Å; K111-M115 WeakPolarHBondContact O-CG 3.15Å; K111-M115 PolarHBondContact O-N 3.43Å
112	L	55.3	Low	57.4	Low	120 Å²	120	98.9 Å²	98.9	63%	0.628	52%	0.518	S	S	*	.	H	α-helix	trans	-62.5	-45.5	176.2	-109.3	158.9	0	0	0	112.3	L109 S114 M115 V116	L109-L112 PolarHBondContact O-N 3.32Å; L112-S114 PolarHBondContact O-N 2.98Å; L112-M115 PolarHBondContact O-N 3.29Å; L112-V116 WeakPolarHBondContact O-CG2 3.39Å; L112-V116 PolarHBondContact O-N 3.22Å
113	H	52.2	Low	57.4	Low	94 Å²	94	99.2 Å²	99.2	44%	0.435	52%	0.52	S	S	.	.	H	α-helix	trans	-61.2	-42.6	175.2	-165	-15.1	0	0	0	111.5	L109 M115 V116 D117	L109-H113 PolarHBondContact O-N 2.69Å; L109-H113 VanDerWaalsContact O-N 3.09Å; H113-M115 VanDerWaalsContact C-N 3.31Å; H113-M115 PolarHBondContact O-N 2.9Å; H113-V116 CarbonylContact O-C 3.59Å; H113-V116 PolarHBondContact O-N 3.12Å; H113-V116 VanDerWaalsContact O-N 3.14Å; H113-D117 IonicContact CE1-OD1 2.61Å; H113-D117 PolarHBondContact CE1-OD1 2.83Å; H113-D117 IonicContact CE1-OD2 2.7Å; H113-D117 IonicContact ND1-OD1 3.54Å; H113-D117 PolarHBondContact ND1-OD1 2.95Å; H113-D117 IonicContact ND1-OD2 3.18Å; H113-D117 PolarHBondContact ND1-OD2 3.48Å; H113-D117 PolarHBondContact O-N 3.05Å; H113-D117 VanDerWaalsContact O-OD1 3.12Å
114	S	57.7	Low	57.4	Low	65 Å²	65	100.8 Å²	100.8	46%	0.455	52%	0.524	S	S	.	.	H	α-helix	trans	-67.9	-28.4	177.7	71.9	0	0	0	0	113.6	L110 K111 L112 L118	L110-S114 WeakPolarHBondContact O-CB 3.43Å; L110-S114 PolarHBondContact O-N 3.44Å; L110-S114 PolarHBondContact O-OG 3.41Å; L110-S114 VanDerWaalsContact O-OG 3.1Å; K111-S114 PolarHBondContact O-N 3.3Å; K111-S114 PolarHBondContact O-OG 2.04Å; L112-S114 PolarHBondContact O-N 2.98Å; S114-L118 WeakPolarHBondContact O-CB 3.49Å; S114-L118 PolarHBondContact O-N 2.88Å
115	M	55.9	Low	57.2	Low	119 Å²	119	96.9 Å²	96.9	59%	0.586	52%	0.518	S	S	*	.	H	α-helix	trans	-73.8	-34.7	171	-71.5	178.3	70.5	0	0	111.9	K111 L112 H113 L119	K111-M115 WeakPolarHBondContact O-CG 3.15Å; K111-M115 PolarHBondContact O-N 3.43Å; L112-M115 PolarHBondContact O-N 3.29Å; H113-M115 VanDerWaalsContact C-N 3.31Å; H113-M115 PolarHBondContact O-N 2.9Å; M115-L119 WeakPolarHBondContact O-CB 3.32Å; M115-L119 WeakPolarHBondContact O-CD1 3.35Å; M115-L119 VanDerWaalsContact O-CG 3.25Å; M115-L119 WeakPolarHBondContact O-CG 3.45Å; M115-L119 PolarHBondContact O-N 3.2Å
116	V	66.8	Low	57.2	Low	72 Å²	72	96.4 Å²	96.4	44%	0.436	52%	0.519	S	S	.	.	H	α-helix	trans	-67.1	-46.3	170.6	172.5	0	0	0	0	110.6	L112 H113 L118 L119 E120	L112-V116 WeakPolarHBondContact O-CG2 3.39Å; L112-V116 PolarHBondContact O-N 3.22Å; H113-V116 CarbonylContact O-C 3.59Å; H113-V116 PolarHBondContact O-N 3.12Å; H113-V116 VanDerWaalsContact O-N 3.14Å; V116-L118 VanDerWaalsContact C-N 3.27Å; V116-L118 PolarHBondContact O-N 2.91Å; V116-L119 CarbonylContact O-C 3.43Å; V116-L119 PolarHBondContact O-N 3.16Å; V116-L119 VanDerWaalsContact O-N 3.09Å; V116-E120 PolarHBondContact O-N 2.93Å
117	D	57.9	Low	57.5	Low	79 Å²	79	97.4 Å²	97.4	42%	0.422	52%	0.52	S	S	.	.	H	α-helix	trans	-63.1	-33.1	176.8	-63.1	-3.2	0	0	0	111.8	H113 G121	H113-D117 IonicContact CE1-OD1 2.61Å; H113-D117 PolarHBondContact CE1-OD1 2.83Å; H113-D117 IonicContact CE1-OD2 2.7Å; H113-D117 IonicContact ND1-OD1 3.54Å; H113-D117 PolarHBondContact ND1-OD1 2.95Å; H113-D117 IonicContact ND1-OD2 3.18Å; H113-D117 PolarHBondContact ND1-OD2 3.48Å; H113-D117 PolarHBondContact O-N 3.05Å; H113-D117 VanDerWaalsContact O-OD1 3.12Å; D117-G121 WeakPolarHBondContact O-CA 3.44Å; D117-G121 PolarHBondContact O-N 3.43Å
118	L	64.4	Low	57.6	Low	119 Å²	119	97.4 Å²	97.4	62%	0.623	51%	0.514	S	S	*	.	H	α-helix	trans	-73.1	-38.2	173.2	-176	63.4	0	0	0	111.6	S114 V116 G121 T122	S114-L118 WeakPolarHBondContact O-CB 3.49Å; S114-L118 PolarHBondContact O-N 2.88Å; V116-L118 VanDerWaalsContact C-N 3.27Å; V116-L118 PolarHBondContact O-N 2.91Å; L118-G121 CarbonylContact O-C 3.54Å; L118-G121 PolarHBondContact O-N 3.2Å; L118-T122 WeakPolarHBondContact O-CG2 3.18Å; L118-T122 PolarHBondContact O-N 3.13Å; L118-T122 PolarHBondContact O-OG1 2.72Å
119	L	57.1	Low	57.5	Low	114 Å²	114	98.1 Å²	98.1	60%	0.597	52%	0.519	S	S	*	.	H	α-helix	trans	-68.3	-50.4	175.6	-78.7	165.1	0	0	0	111.5	M115 V116 G121 T122 L123	M115-L119 WeakPolarHBondContact O-CB 3.32Å; M115-L119 WeakPolarHBondContact O-CD1 3.35Å; M115-L119 VanDerWaalsContact O-CG 3.25Å; M115-L119 WeakPolarHBondContact O-CG 3.45Å; M115-L119 PolarHBondContact O-N 3.2Å; V116-L119 CarbonylContact O-C 3.43Å; V116-L119 PolarHBondContact O-N 3.16Å; V116-L119 VanDerWaalsContact O-N 3.09Å; L119-G121 VanDerWaalsContact C-N 3.26Å; L119-G121 PolarHBondContact O-N 3.12Å; L119-T122 PolarHBondContact O-N 2.97Å; L119-T122 VanDerWaalsContact O-N 3.15Å; L119-T122 PolarHBondContact O-OG1 2.92Å; L119-L123 WeakPolarHBondContact O-CB 3.47Å; L119-L123 PolarHBondContact O-N 3.18Å
120	E	63.8	Low	58.1	Low	88 Å²	88	98.1 Å²	98.1	41%	0.411	51%	0.514	S	S	.	.	H	α-helix	trans	-54.9	-44.2	167.6	-78.5	-163	108.6	0	0	110.5	V116 T122 L123 Y124	V116-E120 PolarHBondContact O-N 2.93Å; E120-T122 VanDerWaalsContact C-N 3.34Å; E120-T122 PolarHBondContact O-N 3.22Å; E120-L123 PolarHBondContact O-N 2.95Å; E120-L123 VanDerWaalsContact O-N 3.09Å; E120-Y124 HydrophobicContact CB-CD2 4.06Å; E120-Y124 HydrophobicContact CB-CE2 4.13Å; E120-Y124 HydrophobicContact CG-CE2 4.3Å; E120-Y124 WeakPolarHBondContact O-CB 3.49Å; E120-Y124 WeakPolarHBondContact O-CD2 3.41Å; E120-Y124 PolarHBondContact O-N 3.45Å
121	G	63.2	Low	58.6	Low	35 Å²	35	98 Å²	98	36%	0.361	52%	0.516	S	S	.	.	H	α-helix	trans	-53.7	-46.5	174.3	0	0	0	0	0	112.7	D117 L118 L119 S125	D117-G121 WeakPolarHBondContact O-CA 3.44Å; D117-G121 PolarHBondContact O-N 3.43Å; L118-G121 CarbonylContact O-C 3.54Å; L118-G121 PolarHBondContact O-N 3.2Å; L119-G121 VanDerWaalsContact C-N 3.26Å; L119-G121 PolarHBondContact O-N 3.12Å; G121-S125 WeakPolarHBondContact O-CB 3.23Å; G121-S125 PolarHBondContact O-N 3.33Å; G121-S125 PolarHBondContact O-OG 2.77Å
122	T	57.5	Low	58.7	Low	69 Å²	69	97.5 Å²	97.5	42%	0.423	52%	0.516	S	S	.	.	H	α-helix	trans	-71.1	-33.5	174.8	55.4	0	0	0	0	113.5	L118 L119 E120 S125 L126	L118-T122 WeakPolarHBondContact O-CG2 3.18Å; L118-T122 PolarHBondContact O-N 3.13Å; L118-T122 PolarHBondContact O-OG1 2.72Å; L119-T122 PolarHBondContact O-N 2.97Å; L119-T122 VanDerWaalsContact O-N 3.15Å; L119-T122 PolarHBondContact O-OG1 2.92Å; E120-T122 VanDerWaalsContact C-N 3.34Å; E120-T122 PolarHBondContact O-N 3.22Å; T122-S125 WeakPolarHBondContact CA-OG 3.17Å; T122-L126 PolarHBondContact O-N 3.4Å; T122-L126 VanDerWaalsContact O-N 3.11Å
123	L	55.1	Low	59.5	Low	120 Å²	120	95.3 Å²	95.3	63%	0.628	51%	0.51	S	S	*	.	H	α-helix	trans	-72.1	-37.1	179.8	-164.2	70.3	0	0	0	111.8	L119 E120	L119-L123 WeakPolarHBondContact O-CB 3.47Å; L119-L123 PolarHBondContact O-N 3.18Å; E120-L123 PolarHBondContact O-N 2.95Å; E120-L123 VanDerWaalsContact O-N 3.09Å
124	Y	55.5	Low	60.4	Low	143 Å²	143	97.9 Å²	97.9	56%	0.561	52%	0.517	S	S	*	.	H	α-helix	trans	-83.7	-30.7	175.8	-72.7	-61	0	0	0	113.3	E120 L126 L128	E120-Y124 HydrophobicContact CB-CD2 4.06Å; E120-Y124 HydrophobicContact CB-CE2 4.13Å; E120-Y124 HydrophobicContact CG-CE2 4.3Å; E120-Y124 WeakPolarHBondContact O-CB 3.49Å; E120-Y124 WeakPolarHBondContact O-CD2 3.41Å; E120-Y124 PolarHBondContact O-N 3.45Å; Y124-L126 VanDerWaalsContact C-N 3.3Å; Y124-L128 HydrophobicContact CD1-CD1 4.21Å; Y124-L128 HydrophobicContact CD1-CD2 4.25Å; Y124-L128 HydrophobicContact CE1-CD2 4.5Å
125	S	56.2	Low	61.1	Low	92 Å²	92	98.9 Å²	98.9	64%	0.643	52%	0.516	S	S	*	.	H	α-helix	trans	-80.4	-6.6	174	63.6	0	0	0	0	114.1	G121 T122 D127	G121-S125 WeakPolarHBondContact O-CB 3.23Å; G121-S125 PolarHBondContact O-N 3.33Å; G121-S125 PolarHBondContact O-OG 2.77Å; T122-S125 WeakPolarHBondContact CA-OG 3.17Å; S125-D127 PolarHBondContact O-N 3.38Å
126	L	57.8	Low	61.8	Low	131 Å²	131	97.2 Å²	97.2	69%	0.686	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	49.2	159.4	-94.4	167.5	0	0	0	112.6	T122 Y124 L128	T122-L126 PolarHBondContact O-N 3.4Å; T122-L126 VanDerWaalsContact O-N 3.11Å; Y124-L126 VanDerWaalsContact C-N 3.3Å; L126-L128 PolarHBondContact O-N 2.64Å
127	D	59.2	Low	62.5	Low	59 Å²	59	100.3 Å²	100.3	32%	0.316	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.4	60.5	159.2	-152.9	-28.3	0	0	0	114.7	S125 M129 K130 V131	S125-D127 PolarHBondContact O-N 3.38Å; D127-M129 PolarHBondContact O-N 2.98Å; D127-K130 HydrophobicContact CB-CB 4.06Å; D127-K130 HydrophobicContact CB-CD 4.49Å; D127-K130 HydrophobicContact CB-CG 4.38Å; D127-K130 VanDerWaalsContact CG-CG 3.48Å; D127-K130 WeakPolarHBondContact O-CA 3.22Å; D127-K130 PolarHBondContact O-N 2.64Å; D127-K130 WeakPolarHBondContact OD1-CB 3.4Å; D127-K130 PolarHBondContact OD1-N 3.41Å; D127-K130 VanDerWaalsContact OD2-CD 3.31Å; D127-K130 WeakPolarHBondContact OD2-CD 3.38Å; D127-K130 WeakPolarHBondContact OD2-CE 3.42Å; D127-K130 VanDerWaalsContact OD2-CG 3.3Å; D127-K130 WeakPolarHBondContact OD2-CG 3.32Å; D127-K130 IonicContact OD2-NZ 3.13Å; D127-K130 PolarHBondContact OD2-NZ 3.42Å; D127-V131 PolarHBondContact O-N 3.22Å
128	L	58.1	Low	63.4	Low	90 Å²	90	100.8 Å²	100.8	47%	0.471	52%	0.523	S	S	.	.	H	α-helix	trans	-51.2	-27.5	173.6	-107.3	75.8	0	0	0	112.6	Y124 L126 V131 H132	Y124-L128 HydrophobicContact CD1-CD1 4.21Å; Y124-L128 HydrophobicContact CD1-CD2 4.25Å; Y124-L128 HydrophobicContact CE1-CD2 4.5Å; L126-L128 PolarHBondContact O-N 2.64Å; L128-V131 PolarHBondContact O-N 3.5Å; L128-H132 VanDerWaalsContact O-CB 3.23Å; L128-H132 WeakPolarHBondContact O-CB 3.46Å; L128-H132 PolarHBondContact O-N 2.99Å
129	M	55.6	Low	64	Low	144 Å²	144	98 Å²	98	71%	0.709	51%	0.511	S	S	*	.	H	α-helix	trans	-69.5	-45.2	174.7	-72.7	-79.4	94.9	0	0	112.5	D127 S133	D127-M129 PolarHBondContact O-N 2.98Å; M129-S133 VanDerWaalsContact O-CB 3.25Å; M129-S133 WeakPolarHBondContact O-CB 3.37Å; M129-S133 PolarHBondContact O-N 3.42Å
130	K	62.8	Low	64.8	Low	116 Å²	116	96 Å²	96	50%	0.504	51%	0.506	S	S	.	.	H	α-helix	trans	-61.2	-44.8	167.9	-81.1	-170.1	-170.3	92.9	0	111.4	D127 H132 S133 Y134	D127-K130 HydrophobicContact CB-CB 4.06Å; D127-K130 HydrophobicContact CB-CD 4.49Å; D127-K130 HydrophobicContact CB-CG 4.38Å; D127-K130 VanDerWaalsContact CG-CG 3.48Å; D127-K130 WeakPolarHBondContact O-CA 3.22Å; D127-K130 PolarHBondContact O-N 2.64Å; D127-K130 WeakPolarHBondContact OD1-CB 3.4Å; D127-K130 PolarHBondContact OD1-N 3.41Å; D127-K130 VanDerWaalsContact OD2-CD 3.31Å; D127-K130 WeakPolarHBondContact OD2-CD 3.38Å; D127-K130 WeakPolarHBondContact OD2-CE 3.42Å; D127-K130 VanDerWaalsContact OD2-CG 3.3Å; D127-K130 WeakPolarHBondContact OD2-CG 3.32Å; D127-K130 IonicContact OD2-NZ 3.13Å; D127-K130 PolarHBondContact OD2-NZ 3.42Å; K130-H132 PolarHBondContact O-N 2.79Å; K130-S133 CarbonylContact O-C 3.49Å; K130-S133 WeakPolarHBondContact O-CB 3.36Å; K130-S133 PolarHBondContact O-N 3.4Å; K130-S133 VanDerWaalsContact O-N 3.16Å; K130-Y134 HydrophobicContact CB-CD2 4.25Å; K130-Y134 HydrophobicContact CB-CE2 4.06Å; K130-Y134 HydrophobicContact CD-CE2 4.44Å; K130-Y134 WeakPolarHBondContact O-CD2 3.46Å; K130-Y134 PolarHBondContact O-N 3.45Å
131	V	63.9	Low	65.5	Low	73 Å²	73	98 Å²	98	44%	0.442	52%	0.516	S	S	.	.	H	α-helix	trans	-59.6	-46.4	179.3	176.6	0	0	0	0	110.9	D127 L128 S133 Y134 I135	D127-V131 PolarHBondContact O-N 3.22Å; L128-V131 PolarHBondContact O-N 3.5Å; V131-S133 VanDerWaalsContact C-N 3.33Å; V131-S133 PolarHBondContact O-N 2.77Å; V131-Y134 PolarHBondContact O-N 2.91Å; V131-I135 HydrophobicContact CG1-CD1 3.82Å; V131-I135 HydrophobicContact CG1-CG1 4.47Å; V131-I135 WeakPolarHBondContact O-CB 3.32Å; V131-I135 VanDerWaalsContact O-CG1 3.28Å; V131-I135 WeakPolarHBondContact O-CG1 3.31Å; V131-I135 PolarHBondContact O-N 3.15Å
132	H	56.5	Low	66	Low	106 Å²	106	102 Å²	102	49%	0.491	53%	0.527	S	S	.	.	H	α-helix	trans	-66.7	-34	177	-151.5	77.4	0	0	0	112.2	L128 K130 N136	L128-H132 VanDerWaalsContact O-CB 3.23Å; L128-H132 WeakPolarHBondContact O-CB 3.46Å; L128-H132 PolarHBondContact O-N 2.99Å; K130-H132 PolarHBondContact O-N 2.79Å; H132-N136 PolarHBondContact CD2-ND2 3.36Å; H132-N136 WeakPolarHBondContact O-CB 3.39Å; H132-N136 VanDerWaalsContact O-CG 3.31Å; H132-N136 PolarHBondContact O-N 2.91Å; H132-N136 PolarHBondContact O-ND2 3.15Å
133	S	72	Confident	66.4	Low	73 Å²	73	102.5 Å²	102.5	51%	0.51	53%	0.526	S	S	.	.	H	α-helix	trans	-64	-46.9	171.4	-179.9	0	0	0	0	112.3	M129 K130 V131 N136 K137	M129-S133 VanDerWaalsContact O-CB 3.25Å; M129-S133 WeakPolarHBondContact O-CB 3.37Å; M129-S133 PolarHBondContact O-N 3.42Å; K130-S133 CarbonylContact O-C 3.49Å; K130-S133 WeakPolarHBondContact O-CB 3.36Å; K130-S133 PolarHBondContact O-N 3.4Å; K130-S133 VanDerWaalsContact O-N 3.16Å; V131-S133 VanDerWaalsContact C-N 3.33Å; V131-S133 PolarHBondContact O-N 2.77Å; S133-N136 PolarHBondContact O-N 3.3Å; S133-K137 VanDerWaalsContact O-CB 3.3Å; S133-K137 WeakPolarHBondContact O-CB 3.44Å; S133-K137 PolarHBondContact O-N 2.68Å
134	Y	72.3	Confident	67.5	Low	148 Å²	148	100.3 Å²	100.3	58%	0.58	52%	0.518	S	S	*	.	H	α-helix	trans	-65.1	-41.9	175.9	-73.1	-62.5	0	0	0	111.9	K130 V131 K137 V138	K130-Y134 HydrophobicContact CB-CD2 4.25Å; K130-Y134 HydrophobicContact CB-CE2 4.06Å; K130-Y134 HydrophobicContact CD-CE2 4.44Å; K130-Y134 WeakPolarHBondContact O-CD2 3.46Å; K130-Y134 PolarHBondContact O-N 3.45Å; V131-Y134 PolarHBondContact O-N 2.91Å; Y134-K137 PolarHBondContact O-N 2.84Å; Y134-V138 WeakPolarHBondContact O-CB 3.41Å; Y134-V138 WeakPolarHBondContact O-CG2 3.1Å; Y134-V138 PolarHBondContact O-N 2.79Å
135	I	71.2	Confident	68.2	Low	86 Å²	86	98.1 Å²	98.1	44%	0.441	52%	0.516	S	S	.	.	H	α-helix	trans	-58.4	-50.7	173.6	-71.9	167.7	0	0	0	110.4	V131 K137 V138 V139	V131-I135 HydrophobicContact CG1-CD1 3.82Å; V131-I135 HydrophobicContact CG1-CG1 4.47Å; V131-I135 WeakPolarHBondContact O-CB 3.32Å; V131-I135 VanDerWaalsContact O-CG1 3.28Å; V131-I135 WeakPolarHBondContact O-CG1 3.31Å; V131-I135 PolarHBondContact O-N 3.15Å; I135-K137 VanDerWaalsContact C-N 3.28Å; I135-K137 PolarHBondContact O-N 2.96Å; I135-V138 PolarHBondContact O-N 3.09Å; I135-V139 HydrophobicContact CG2-CG2 4.39Å; I135-V139 WeakPolarHBondContact O-CB 3.5Å; I135-V139 WeakPolarHBondContact O-CG2 3.26Å; I135-V139 PolarHBondContact O-N 2.62Å
136	N	71.2	Confident	68.9	Low	85 Å²	85	98.2 Å²	98.2	46%	0.455	51%	0.506	S	S	.	.	H	α-helix	trans	-64.8	-31.8	179.1	-74.3	-39.6	0	0	0	112.7	H132 S133 S140	H132-N136 PolarHBondContact CD2-ND2 3.36Å; H132-N136 WeakPolarHBondContact O-CB 3.39Å; H132-N136 VanDerWaalsContact O-CG 3.31Å; H132-N136 PolarHBondContact O-N 2.91Å; H132-N136 PolarHBondContact O-ND2 3.15Å; S133-N136 PolarHBondContact O-N 3.3Å; N136-S140 VanDerWaalsContact O-CB 3.31Å; N136-S140 WeakPolarHBondContact O-CB 3.31Å; N136-S140 PolarHBondContact O-N 2.83Å
137	K	80.9	Confident	69.6	Low	136 Å²	136	98 Å²	98	59%	0.591	50%	0.502	S	S	*	.	H	α-helix	trans	-71.1	-39.2	174.4	-163.7	171.5	-173.7	177	0	112.3	S133 Y134 I135 S140 Q141	S133-K137 VanDerWaalsContact O-CB 3.3Å; S133-K137 WeakPolarHBondContact O-CB 3.44Å; S133-K137 PolarHBondContact O-N 2.68Å; Y134-K137 PolarHBondContact O-N 2.84Å; I135-K137 VanDerWaalsContact C-N 3.28Å; I135-K137 PolarHBondContact O-N 2.96Å; K137-S140 PolarHBondContact O-N 2.71Å; K137-Q141 PolarHBondContact O-N 3.33Å
138	V	77.2	Confident	70.2	Confident	90 Å²	90	98.6 Å²	98.6	55%	0.545	51%	0.508	S	S	.	.	H	α-helix	trans	-67.4	-43	173	168.8	0	0	0	0	110.9	Y134 I135 S140 Q141 M142	Y134-V138 WeakPolarHBondContact O-CB 3.41Å; Y134-V138 WeakPolarHBondContact O-CG2 3.1Å; Y134-V138 PolarHBondContact O-N 2.79Å; I135-V138 PolarHBondContact O-N 3.09Å; V138-S140 VanDerWaalsContact C-N 3.34Å; V138-S140 PolarHBondContact O-N 3.38Å; V138-Q141 CarbonylContact O-C 3.56Å; V138-Q141 PolarHBondContact O-N 2.8Å; V138-M142 WeakPolarHBondContact O-CB 3.44Å; V138-M142 PolarHBondContact O-N 3.12Å
139	V	76.8	Confident	70.5	Confident	60 Å²	60	98.3 Å²	98.3	36%	0.364	51%	0.506	S	S	.	.	H	α-helix	trans	-61.3	-41.9	174.1	169.5	0	0	0	0	111	I135 Q141 M142 N143	I135-V139 HydrophobicContact CG2-CG2 4.39Å; I135-V139 WeakPolarHBondContact O-CB 3.5Å; I135-V139 WeakPolarHBondContact O-CG2 3.26Å; I135-V139 PolarHBondContact O-N 2.62Å; V139-Q141 PolarHBondContact O-N 2.91Å; V139-M142 PolarHBondContact O-N 2.83Å; V139-N143 WeakPolarHBondContact O-CB 3.43Å; V139-N143 PolarHBondContact O-N 2.77Å; V139-N143 PolarHBondContact O-OD1 3.11Å
140	S	74.2	Confident	70.9	Confident	71 Å²	71	96.5 Å²	96.5	50%	0.497	49%	0.494	S	S	.	.	H	α-helix	trans	-60	-44.2	173.9	-179.8	0	0	0	0	112.7	N136 K137 V138 N143 T144	N136-S140 VanDerWaalsContact O-CB 3.31Å; N136-S140 WeakPolarHBondContact O-CB 3.31Å; N136-S140 PolarHBondContact O-N 2.83Å; K137-S140 PolarHBondContact O-N 2.71Å; V138-S140 VanDerWaalsContact C-N 3.34Å; V138-S140 PolarHBondContact O-N 3.38Å; S140-N143 PolarHBondContact O-N 3.27Å; S140-T144 PolarHBondContact O-N 2.75Å; S140-T144 VanDerWaalsContact O-N 3.09Å; S140-T144 PolarHBondContact O-OG1 3.47Å
141	Q	79.2	Confident	71.2	Confident	131 Å²	131	95.1 Å²	95.1	61%	0.612	50%	0.495	S	S	*	.	H	α-helix	trans	-68.5	-34.5	174.2	-72.3	-169.8	-55.2	0	0	112.9	K137 V138 V139 T144 L145	K137-Q141 PolarHBondContact O-N 3.33Å; V138-Q141 CarbonylContact O-C 3.56Å; V138-Q141 PolarHBondContact O-N 2.8Å; V139-Q141 PolarHBondContact O-N 2.91Å; Q141-T144 WeakPolarHBondContact CA-OG1 3.22Å; Q141-T144 PolarHBondContact O-OG1 2.64Å; Q141-L145 WeakPolarHBondContact O-CB 3.48Å; Q141-L145 PolarHBondContact O-N 2.85Å
142	M	72.3	Confident	71	Confident	119 Å²	119	95 Å²	95	59%	0.586	49%	0.492	S	S	*	.	H	α-helix	trans	-70	-35.9	176.8	-160.1	173.4	81.4	0	0	111.5	V138 V139 L145 E146	V138-M142 WeakPolarHBondContact O-CB 3.44Å; V138-M142 PolarHBondContact O-N 3.12Å; V139-M142 PolarHBondContact O-N 2.83Å; M142-L145 PolarHBondContact O-N 3.38Å; M142-E146 WeakPolarHBondContact O-CB 3.34Å; M142-E146 PolarHBondContact O-N 3.11Å
143	N	66.1	Low	70.9	Confident	79 Å²	79	94.6 Å²	94.6	42%	0.422	49%	0.493	S	S	.	.	H	α-helix	trans	-69.8	-43	175.6	-67.7	-8.3	0	0	0	111.9	V139 S140 L145 E146 E147	V139-N143 WeakPolarHBondContact O-CB 3.43Å; V139-N143 PolarHBondContact O-N 2.77Å; V139-N143 PolarHBondContact O-OD1 3.11Å; S140-N143 PolarHBondContact O-N 3.27Å; N143-L145 VanDerWaalsContact C-N 3.34Å; N143-E146 WeakPolarHBondContact O-CB 3.37Å; N143-E146 PolarHBondContact O-N 3.27Å; N143-E146 VanDerWaalsContact O-N 3.14Å; N143-E147 PolarHBondContact O-N 3.22Å
144	T	78.1	Confident	70.2	Confident	75 Å²	75	95.8 Å²	95.8	46%	0.46	50%	0.497	S	S	.	.	H	α-helix	trans	-68.3	-33.7	174.4	37.1	0	0	0	0	112.2	S140 Q141 T148	S140-T144 PolarHBondContact O-N 2.75Å; S140-T144 VanDerWaalsContact O-N 3.09Å; S140-T144 PolarHBondContact O-OG1 3.47Å; Q141-T144 WeakPolarHBondContact CA-OG1 3.22Å; Q141-T144 PolarHBondContact O-OG1 2.64Å; T144-T148 WeakPolarHBondContact O-CB 3.36Å; T144-T148 PolarHBondContact O-N 2.89Å; T144-T148 PolarHBondContact O-OG1 2.92Å
145	L	71.3	Confident	69.5	Low	97 Å²	97	97.2 Å²	97.2	51%	0.508	50%	0.502	S	S	.	.	H	α-helix	trans	-64.9	-40.3	167.4	-178	61.8	0	0	0	111.2	Q141 M142 N143 T148 I149	Q141-L145 WeakPolarHBondContact O-CB 3.48Å; Q141-L145 PolarHBondContact O-N 2.85Å; M142-L145 PolarHBondContact O-N 3.38Å; N143-L145 VanDerWaalsContact C-N 3.34Å; L145-T148 CarbonylContact O-C 3.53Å; L145-T148 PolarHBondContact O-N 2.91Å; L145-I149 HydrophobicContact CD1-CD1 3.97Å; L145-I149 HydrophobicContact CD1-CG1 4.14Å; L145-I149 HydrophobicContact CD2-CD1 4.36Å; L145-I149 HydrophobicContact CG-CD1 3.76Å; L145-I149 HydrophobicContact CG-CG1 4.31Å; L145-I149 VanDerWaalsContact O-CB 3.28Å; L145-I149 WeakPolarHBondContact O-CB 3.49Å; L145-I149 VanDerWaalsContact O-CG1 3.23Å; L145-I149 WeakPolarHBondContact O-CG1 3.05Å; L145-I149 PolarHBondContact O-N 3.42Å
146	E	70	Confident	68.8	Low	93 Å²	93	97.1 Å²	97.1	44%	0.435	50%	0.502	S	S	.	.	H	α-helix	trans	-65	-38.8	177	-157.5	-159	170.6	0	0	112	M142 N143 I149 K150	M142-E146 WeakPolarHBondContact O-CB 3.34Å; M142-E146 PolarHBondContact O-N 3.11Å; N143-E146 WeakPolarHBondContact O-CB 3.37Å; N143-E146 PolarHBondContact O-N 3.27Å; N143-E146 VanDerWaalsContact O-N 3.14Å; E146-I149 PolarHBondContact O-N 3.18Å; E146-K150 VanDerWaalsContact CD-CE 3.42Å; E146-K150 HydrophobicContact CG-CD 4.35Å; E146-K150 VanDerWaalsContact O-CB 3.3Å; E146-K150 WeakPolarHBondContact O-CB 3.4Å; E146-K150 WeakPolarHBondContact O-CD 3.25Å; E146-K150 WeakPolarHBondContact O-CG 3.4Å; E146-K150 PolarHBondContact O-N 3.34Å; E146-K150 WeakPolarHBondContact OE1-CE 3.32Å; E146-K150 IonicContact OE1-NZ 3.51Å; E146-K150 PolarHBondContact OE1-NZ 2.95Å; E146-K150 IonicContact OE2-NZ 3.36Å; E146-K150 PolarHBondContact OE2-NZ 2.93Å
147	E	72.3	Confident	68.2	Low	127 Å²	127	97.6 Å²	97.6	59%	0.593	51%	0.505	S	S	*	.	H	α-helix	trans	-67.3	-38.9	172.1	-71.2	-172.6	136	0	0	112.2	N143 I149 K150 T151	N143-E147 PolarHBondContact O-N 3.22Å; E147-I149 VanDerWaalsContact C-N 3.34Å; E147-K150 PolarHBondContact O-N 2.94Å; E147-T151 WeakPolarHBondContact O-CB 2.89Å; E147-T151 WeakPolarHBondContact O-CG2 3.2Å; E147-T151 PolarHBondContact O-N 3.33Å; E147-T151 PolarHBondContact O-OG1 2.66Å
148	T	71.5	Confident	67.3	Low	72 Å²	72	97.7 Å²	97.7	44%	0.442	51%	0.507	S	S	.	.	H	α-helix	trans	-66.4	-36.6	174.2	-54.9	0	0	0	0	111.4	T144 L145 T151 N152	T144-T148 WeakPolarHBondContact O-CB 3.36Å; T144-T148 PolarHBondContact O-N 2.89Å; T144-T148 PolarHBondContact O-OG1 2.92Å; L145-T148 CarbonylContact O-C 3.53Å; L145-T148 PolarHBondContact O-N 2.91Å; T148-T151 WeakPolarHBondContact CA-OG1 3.01Å; T148-T151 PolarHBondContact O-OG1 3.34Å; T148-N152 WeakPolarHBondContact O-CB 3.4Å; T148-N152 PolarHBondContact O-N 3.22Å; T148-N152 VanDerWaalsContact O-N 3.11Å; T148-N152 PolarHBondContact O-ND2 3.28Å
149	I	65.2	Low	66.6	Low	84 Å²	84	100 Å²	100	43%	0.431	51%	0.51	S	S	.	.	H	α-helix	trans	-73	-42.4	175.4	-75	175	0	0	0	110.4	L145 E146 E147 N152 L153	L145-I149 HydrophobicContact CD1-CD1 3.97Å; L145-I149 HydrophobicContact CD1-CG1 4.14Å; L145-I149 HydrophobicContact CD2-CD1 4.36Å; L145-I149 HydrophobicContact CG-CD1 3.76Å; L145-I149 HydrophobicContact CG-CG1 4.31Å; L145-I149 VanDerWaalsContact O-CB 3.28Å; L145-I149 WeakPolarHBondContact O-CB 3.49Å; L145-I149 VanDerWaalsContact O-CG1 3.23Å; L145-I149 WeakPolarHBondContact O-CG1 3.05Å; L145-I149 PolarHBondContact O-N 3.42Å; E146-I149 PolarHBondContact O-N 3.18Å; E147-I149 VanDerWaalsContact C-N 3.34Å; I149-N152 PolarHBondContact O-N 2.85Å; I149-L153 HydrophobicContact CG2-CD1 3.76Å; I149-L153 WeakPolarHBondContact O-CB 3.18Å; I149-L153 WeakPolarHBondContact O-CD1 3.34Å; I149-L153 PolarHBondContact O-N 3.48Å
150	K	63.4	Low	65.9	Low	105 Å²	105	101.2 Å²	101.2	46%	0.457	52%	0.517	S	S	.	.	H	α-helix	trans	-60.1	-47.8	175.3	-78.3	163	-178.9	160	0	111.6	E146 E147 L153 T154	E146-K150 VanDerWaalsContact CD-CE 3.42Å; E146-K150 HydrophobicContact CG-CD 4.35Å; E146-K150 VanDerWaalsContact O-CB 3.3Å; E146-K150 WeakPolarHBondContact O-CB 3.4Å; E146-K150 WeakPolarHBondContact O-CD 3.25Å; E146-K150 WeakPolarHBondContact O-CG 3.4Å; E146-K150 PolarHBondContact O-N 3.34Å; E146-K150 WeakPolarHBondContact OE1-CE 3.32Å; E146-K150 IonicContact OE1-NZ 3.51Å; E146-K150 PolarHBondContact OE1-NZ 2.95Å; E146-K150 IonicContact OE2-NZ 3.36Å; E146-K150 PolarHBondContact OE2-NZ 2.93Å; E147-K150 PolarHBondContact O-N 2.94Å; K150-L153 PolarHBondContact O-N 2.79Å; K150-T154 PolarHBondContact O-N 2.87Å; K150-T154 PolarHBondContact O-OG1 3.44Å; K150-T154 VanDerWaalsContact O-OG1 3.09Å
151	T	69	Low	65.2	Low	88 Å²	88	106.6 Å²	106.6	54%	0.54	53%	0.527	S	S	.	.	H	α-helix	trans	-66	-42.3	-179.9	48.4	0	0	0	0	112.2	E147 T148 T154 R155	E147-T151 WeakPolarHBondContact O-CB 2.89Å; E147-T151 WeakPolarHBondContact O-CG2 3.2Å; E147-T151 PolarHBondContact O-N 3.33Å; E147-T151 PolarHBondContact O-OG1 2.66Å; T148-T151 WeakPolarHBondContact CA-OG1 3.01Å; T148-T151 PolarHBondContact O-OG1 3.34Å; T151-T154 WeakPolarHBondContact CA-OG1 3.12Å; T151-T154 PolarHBondContact O-N 3.09Å; T151-T154 PolarHBondContact O-OG1 2.74Å; T151-R155 PolarHBondContact O-N 3.39Å; T151-R155 VanDerWaalsContact O-N 3.14Å
152	N	60.9	Low	64.7	Low	71 Å²	71	105.3 Å²	105.3	38%	0.38	52%	0.524	S	S	.	.	H	α-helix	trans	-66.3	-42.8	171.5	-75.8	-62.9	0	0	0	112.2	T148 I149 T154 R155 D156	T148-N152 WeakPolarHBondContact O-CB 3.4Å; T148-N152 PolarHBondContact O-N 3.22Å; T148-N152 VanDerWaalsContact O-N 3.11Å; T148-N152 PolarHBondContact O-ND2 3.28Å; I149-N152 PolarHBondContact O-N 2.85Å; N152-T154 VanDerWaalsContact C-N 3.28Å; N152-T154 PolarHBondContact O-N 2.97Å; N152-R155 CarbonylContact O-C 3.57Å; N152-R155 PolarHBondContact O-N 3.09Å; N152-D156 WeakPolarHBondContact O-CB 3.49Å; N152-D156 PolarHBondContact O-N 3.36Å
153	L	53.1	Low	64.5	Low	97 Å²	97	101.9 Å²	101.9	51%	0.508	51%	0.512	S	S	.	.	H	α-helix	trans	-60.2	-35.9	175.4	-103.8	79.7	0	0	0	112.4	I149 K150 N157	I149-L153 HydrophobicContact CG2-CD1 3.76Å; I149-L153 WeakPolarHBondContact O-CB 3.18Å; I149-L153 WeakPolarHBondContact O-CD1 3.34Å; I149-L153 PolarHBondContact O-N 3.48Å; K150-L153 PolarHBondContact O-N 2.79Å; L153-N157 VanDerWaalsContact O-CB 3.23Å; L153-N157 WeakPolarHBondContact O-CB 3.34Å; L153-N157 PolarHBondContact O-N 2.88Å; L153-N157 PolarHBondContact O-ND2 3.43Å
154	T	58.3	Low	64.2	Low	98 Å²	98	104.2 Å²	104.2	60%	0.601	52%	0.522	S	S	*	.	H	α-helix	trans	-64.8	-41.8	172	37.4	0	0	0	0	112	K150 T151 N152 E158	K150-T154 PolarHBondContact O-N 2.87Å; K150-T154 PolarHBondContact O-OG1 3.44Å; K150-T154 VanDerWaalsContact O-OG1 3.09Å; T151-T154 WeakPolarHBondContact CA-OG1 3.12Å; T151-T154 PolarHBondContact O-N 3.09Å; T151-T154 PolarHBondContact O-OG1 2.74Å; N152-T154 VanDerWaalsContact C-N 3.28Å; N152-T154 PolarHBondContact O-N 2.97Å; T154-E158 WeakPolarHBondContact O-CB 3.43Å; T154-E158 PolarHBondContact O-N 3.45Å; T154-E158 VanDerWaalsContact O-N 3.08Å
155	R	58.2	Low	63.8	Low	177 Å²	177	105.1 Å²	105.1	67%	0.668	52%	0.523	S	S	*	.	H	α-helix	trans	-70.3	-39.6	-179.4	-151.9	175	88.5	151.6	6.9	112.5	T151 N152 E158 F159	T151-R155 PolarHBondContact O-N 3.39Å; T151-R155 VanDerWaalsContact O-N 3.14Å; N152-R155 CarbonylContact O-C 3.57Å; N152-R155 PolarHBondContact O-N 3.09Å; R155-E158 PolarHBondContact O-N 3.41Å; R155-F159 WeakPolarHBondContact O-CB 2.95Å; R155-F159 PolarHBondContact O-N 2.89Å
156	D	55.8	Low	63.9	Low	84 Å²	84	103.7 Å²	103.7	45%	0.449	52%	0.519	S	S	.	.	H	α-helix	trans	-75.1	-33.9	178.3	-68.1	-16.2	0	0	0	111.6	N152 E158 F159 V160	N152-D156 WeakPolarHBondContact O-CB 3.49Å; N152-D156 PolarHBondContact O-N 3.36Å; D156-E158 VanDerWaalsContact C-N 3.31Å; D156-E158 PolarHBondContact O-N 2.79Å; D156-F159 PolarHBondContact O-N 3.11Å; D156-V160 VanDerWaalsContact O-CB 3.22Å; D156-V160 WeakPolarHBondContact O-CB 3.44Å; D156-V160 WeakPolarHBondContact O-CG2 3.33Å; D156-V160 PolarHBondContact O-N 3Å
157	N	58.1	Low	63.7	Low	95 Å²	95	103.8 Å²	103.8	51%	0.508	52%	0.522	S	S	.	.	H	α-helix	trans	-67	-32.4	169.9	-86.7	-84.6	0	0	0	112.3	L153 R161	L153-N157 VanDerWaalsContact O-CB 3.23Å; L153-N157 WeakPolarHBondContact O-CB 3.34Å; L153-N157 PolarHBondContact O-N 2.88Å; L153-N157 PolarHBondContact O-ND2 3.43Å; N157-R161 WeakPolarHBondContact O-CB 3.5Å; N157-R161 WeakPolarHBondContact O-CG 3.5Å; N157-R161 PolarHBondContact O-N 3.24Å
158	E	62.6	Low	63.5	Low	139 Å²	139	100.8 Å²	100.8	65%	0.65	51%	0.512	S	S	*	.	H	α-helix	trans	-71.3	-44.9	174.1	-166.6	156.6	-122.1	0	0	111.1	T154 R155 D156 R161 D162	T154-E158 WeakPolarHBondContact O-CB 3.43Å; T154-E158 PolarHBondContact O-N 3.45Å; T154-E158 VanDerWaalsContact O-N 3.08Å; R155-E158 PolarHBondContact O-N 3.41Å; D156-E158 VanDerWaalsContact C-N 3.31Å; D156-E158 PolarHBondContact O-N 2.79Å; E158-R161 WeakPolarHBondContact O-CB 3.29Å; E158-R161 PolarHBondContact O-N 2.81Å; E158-D162 PolarHBondContact O-N 2.85Å
159	F	63.3	Low	63.4	Low	138 Å²	138	101.4 Å²	101.4	61%	0.605	51%	0.513	S	S	*	.	H	α-helix	trans	-62.1	-40.9	172.8	178.1	-103.7	0	0	0	113.2	R155 D156 D162 S163	R155-F159 WeakPolarHBondContact O-CB 2.95Å; R155-F159 PolarHBondContact O-N 2.89Å; D156-F159 PolarHBondContact O-N 3.11Å; F159-D162 PolarHBondContact O-N 3.41Å; F159-S163 WeakPolarHBondContact O-CB 3.44Å; F159-S163 PolarHBondContact O-N 2.67Å; F159-S163 PolarHBondContact O-OG 2.85Å
160	V	60.5	Low	63.4	Low	85 Å²	85	102.4 Å²	102.4	52%	0.515	52%	0.515	S	S	.	.	H	α-helix	trans	-69.1	-37.2	176.1	167.6	0	0	0	0	111	D156 M164	D156-V160 VanDerWaalsContact O-CB 3.22Å; D156-V160 WeakPolarHBondContact O-CB 3.44Å; D156-V160 WeakPolarHBondContact O-CG2 3.33Å; D156-V160 PolarHBondContact O-N 3Å; V160-M164 WeakPolarHBondContact O-CB 3.33Å; V160-M164 PolarHBondContact O-N 2.77Å
161	R	60.7	Low	63	Low	185 Å²	185	103.8 Å²	103.8	70%	0.698	52%	0.522	S	S	*	.	H	α-helix	trans	-61	-50.3	170.5	-85.5	-179	-179.9	163.6	3	111.8	N157 E158 S163 M164 I165	N157-R161 WeakPolarHBondContact O-CB 3.5Å; N157-R161 WeakPolarHBondContact O-CG 3.5Å; N157-R161 PolarHBondContact O-N 3.24Å; E158-R161 WeakPolarHBondContact O-CB 3.29Å; E158-R161 PolarHBondContact O-N 2.81Å; R161-S163 VanDerWaalsContact C-N 3.34Å; R161-M164 PolarHBondContact O-N 2.98Å; R161-I165 WeakPolarHBondContact O-CB 3.37Å; R161-I165 VanDerWaalsContact O-CG1 3.26Å; R161-I165 WeakPolarHBondContact O-CG1 3.4Å; R161-I165 PolarHBondContact O-N 2.76Å
162	D	68.4	Low	62.5	Low	103 Å²	103	105.5 Å²	105.5	55%	0.551	52%	0.521	S	S	*	.	H	α-helix	trans	-68.2	-37.1	-176.8	-161.7	50.7	0	0	0	111.7	E158 F159 I165 T166	E158-D162 PolarHBondContact O-N 2.85Å; F159-D162 PolarHBondContact O-N 3.41Å; D162-I165 PolarHBondContact O-N 2.8Å; D162-T166 VanDerWaalsContact O-CB 3.23Å; D162-T166 WeakPolarHBondContact O-CB 3.35Å; D162-T166 PolarHBondContact O-N 2.68Å; D162-T166 PolarHBondContact O-OG1 3.4Å
163	S	67.1	Low	62.3	Low	48 Å²	48	110.2 Å²	110.2	34%	0.336	53%	0.534	S	S	.	.	H	α-helix	trans	-61.4	-42.3	169.3	-63.1	0	0	0	0	112.1	F159 R161 T166 L167	F159-S163 WeakPolarHBondContact O-CB 3.44Å; F159-S163 PolarHBondContact O-N 2.67Å; F159-S163 PolarHBondContact O-OG 2.85Å; R161-S163 VanDerWaalsContact C-N 3.34Å; S163-T166 PolarHBondContact O-N 2.96Å; S163-L167 VanDerWaalsContact O-CB 3.22Å; S163-L167 WeakPolarHBondContact O-CB 3.47Å; S163-L167 PolarHBondContact O-N 2.99Å
164	M	60.6	Low	62.3	Low	128 Å²	128	113.3 Å²	113.3	63%	0.631	54%	0.54	S	S	*	.	H	α-helix	trans	-74.1	-32.4	179.7	-165.1	172.9	-164.6	0	0	112.6	V160 R161 T168	V160-M164 WeakPolarHBondContact O-CB 3.33Å; V160-M164 PolarHBondContact O-N 2.77Å; R161-M164 PolarHBondContact O-N 2.98Å; M164-T168 VanDerWaalsContact O-CB 3.28Å; M164-T168 WeakPolarHBondContact O-CB 3.23Å; M164-T168 PolarHBondContact O-N 3.42Å; M164-T168 PolarHBondContact O-OG1 2.03Å
165	I	69.3	Low	62	Low	93 Å²	93	114.6 Å²	114.6	48%	0.477	54%	0.539	S	S	.	.	H	α-helix	trans	-66.5	-45	170	-70.9	164.1	0	0	0	109.8	R161 D162 T168 N169	R161-I165 WeakPolarHBondContact O-CB 3.37Å; R161-I165 VanDerWaalsContact O-CG1 3.26Å; R161-I165 WeakPolarHBondContact O-CG1 3.4Å; R161-I165 PolarHBondContact O-N 2.76Å; D162-I165 PolarHBondContact O-N 2.8Å; I165-T168 PolarHBondContact O-N 2.88Å; I165-N169 WeakPolarHBondContact O-CB 3.31Å; I165-N169 PolarHBondContact O-N 2.89Å; I165-N169 PolarHBondContact O-ND2 2.79Å
166	T	72.8	Confident	62	Low	68 Å²	68	110.9 Å²	110.9	42%	0.417	53%	0.533	S	S	.	.	H	α-helix	trans	-62.4	-44.4	175.9	-64.2	0	0	0	0	111.4	D162 S163 N169 Q170	D162-T166 VanDerWaalsContact O-CB 3.23Å; D162-T166 WeakPolarHBondContact O-CB 3.35Å; D162-T166 PolarHBondContact O-N 2.68Å; D162-T166 PolarHBondContact O-OG1 3.4Å; S163-T166 PolarHBondContact O-N 2.96Å; T166-N169 CarbonylContact O-C 3.57Å; T166-N169 PolarHBondContact O-N 3.31Å; T166-Q170 WeakPolarHBondContact O-CG 3.37Å; T166-Q170 PolarHBondContact O-N 3.41Å
167	L	65.9	Low	62	Low	95 Å²	95	113.9 Å²	113.9	50%	0.497	54%	0.539	S	S	.	.	H	α-helix	trans	-65.1	-40.5	175.4	-174.5	61.1	0	0	0	111.7	S163 N169 Q170 F171	S163-L167 VanDerWaalsContact O-CB 3.22Å; S163-L167 WeakPolarHBondContact O-CB 3.47Å; S163-L167 PolarHBondContact O-N 2.99Å; L167-N169 VanDerWaalsContact C-N 3.3Å; L167-N169 PolarHBondContact O-N 2.91Å; L167-Q170 WeakPolarHBondContact O-CB 3.31Å; L167-Q170 PolarHBondContact O-N 3.23Å; L167-F171 HydrophobicContact CD1-CD2 4.02Å; L167-F171 HydrophobicContact CD1-CE2 3.93Å; L167-F171 HydrophobicContact CG-CD2 4.01Å; L167-F171 HydrophobicContact CG-CE2 4.08Å; L167-F171 WeakPolarHBondContact O-CD2 3.43Å; L167-F171 PolarHBondContact O-N 3.33Å
168	T	68	Low	62	Low	64 Å²	64	112.5 Å²	112.5	39%	0.393	54%	0.537	S	S	.	.	H	α-helix	trans	-62.4	-38.4	173.7	-60.3	0	0	0	0	111.5	M164 I165 F171 K172	M164-T168 VanDerWaalsContact O-CB 3.28Å; M164-T168 WeakPolarHBondContact O-CB 3.23Å; M164-T168 PolarHBondContact O-N 3.42Å; M164-T168 PolarHBondContact O-OG1 2.03Å; I165-T168 PolarHBondContact O-N 2.88Å; T168-F171 PolarHBondContact O-N 2.75Å; T168-K172 WeakPolarHBondContact O-CG 3.29Å; T168-K172 PolarHBondContact O-N 3.07Å
169	N	69.3	Low	62	Low	85 Å²	85	111.1 Å²	111.1	46%	0.455	53%	0.534	S	S	.	.	H	α-helix	trans	-72.7	-29.7	174.8	-73.5	-30.9	0	0	0	112.9	I165 T166 L167 R173	I165-N169 WeakPolarHBondContact O-CB 3.31Å; I165-N169 PolarHBondContact O-N 2.89Å; I165-N169 PolarHBondContact O-ND2 2.79Å; T166-N169 CarbonylContact O-C 3.57Å; T166-N169 PolarHBondContact O-N 3.31Å; L167-N169 VanDerWaalsContact C-N 3.3Å; L167-N169 PolarHBondContact O-N 2.91Å; N169-R173 PolarHBondContact O-N 2.86Å
170	Q	65.8	Low	62	Low	105 Å²	105	108.6 Å²	108.6	49%	0.491	53%	0.526	S	S	.	.	H	α-helix	trans	-66.6	-48.1	168.8	-68.1	-106.8	5.1	0	0	110.7	T166 L167 K172 R173 Y174	T166-Q170 WeakPolarHBondContact O-CG 3.37Å; T166-Q170 PolarHBondContact O-N 3.41Å; L167-Q170 WeakPolarHBondContact O-CB 3.31Å; L167-Q170 PolarHBondContact O-N 3.23Å; Q170-K172 PolarHBondContact O-N 2.89Å; Q170-R173 CarbonylContact O-C 3.54Å; Q170-R173 WeakPolarHBondContact O-CA 3.47Å; Q170-R173 WeakPolarHBondContact O-CB 3.33Å; Q170-R173 PolarHBondContact O-N 2.98Å; Q170-Y174 PolarHBondContact O-N 3.5Å
171	F	54.7	Low	61.8	Low	133 Å²	133	110.7 Å²	110.7	58%	0.583	53%	0.531	S	S	*	.	H	α-helix	trans	-57.9	-46.9	176.7	-95.6	-82	0	0	0	112.2	L167 T168 R173 Y174 E175	L167-F171 HydrophobicContact CD1-CD2 4.02Å; L167-F171 HydrophobicContact CD1-CE2 3.93Å; L167-F171 HydrophobicContact CG-CD2 4.01Å; L167-F171 HydrophobicContact CG-CE2 4.08Å; L167-F171 WeakPolarHBondContact O-CD2 3.43Å; L167-F171 PolarHBondContact O-N 3.33Å; T168-F171 PolarHBondContact O-N 2.75Å; F171-R173 PolarHBondContact O-N 3.2Å; F171-Y174 CarbonylContact O-C 3.59Å; F171-Y174 WeakPolarHBondContact O-CA 3.36Å; F171-Y174 WeakPolarHBondContact O-CB 3.39Å; F171-Y174 PolarHBondContact O-N 3.47Å; F171-E175 PolarHBondContact O-N 3.07Å
172	K	58.3	Low	61.8	Low	124 Å²	124	107.4 Å²	107.4	54%	0.539	53%	0.525	S	S	.	.	H	α-helix	trans	-59.4	-30.5	173.5	-73.8	174.5	179.7	176.4	0	113.4	T168 Q170 N176	T168-K172 WeakPolarHBondContact O-CG 3.29Å; T168-K172 PolarHBondContact O-N 3.07Å; Q170-K172 PolarHBondContact O-N 2.89Å; K172-N176 PolarHBondContact O-N 2.86Å
173	R	58.1	Low	61.8	Low	170 Å²	170	105.5 Å²	105.5	64%	0.642	52%	0.52	S	S	*	.	H	α-helix	trans	-73.9	-40	174.4	-154.7	178.5	-69.3	-169.6	-1.7	110.8	N169 Q170 F171 N176 Y177	N169-R173 PolarHBondContact O-N 2.86Å; Q170-R173 CarbonylContact O-C 3.54Å; Q170-R173 WeakPolarHBondContact O-CA 3.47Å; Q170-R173 WeakPolarHBondContact O-CB 3.33Å; Q170-R173 PolarHBondContact O-N 2.98Å; F171-R173 PolarHBondContact O-N 3.2Å; R173-N176 WeakPolarHBondContact O-CB 2.85Å; R173-N176 PolarHBondContact O-N 2.86Å; R173-Y177 HydrophobicContact CG-CD2 4.44Å; R173-Y177 HydrophobicContact CG-CE2 4.07Å; R173-Y177 WeakPolarHBondContact O-CD2 3.49Å; R173-Y177 PolarHBondContact O-N 2.97Å
174	Y	53.3	Low	61.9	Low	162 Å²	162	107 Å²	107	64%	0.635	52%	0.524	S	S	*	.	H	α-helix	trans	-66.5	-37.4	173.4	-93.6	-82.3	0	0	0	113.7	Q170 F171 N176 Y177 S178	Q170-Y174 PolarHBondContact O-N 3.5Å; F171-Y174 CarbonylContact O-C 3.59Å; F171-Y174 WeakPolarHBondContact O-CA 3.36Å; F171-Y174 WeakPolarHBondContact O-CB 3.39Å; F171-Y174 PolarHBondContact O-N 3.47Å; Y174-N176 VanDerWaalsContact C-N 3.27Å; Y174-N176 PolarHBondContact O-N 3.22Å; Y174-Y177 CarbonylContact O-C 3.6Å; Y174-Y177 PolarHBondContact O-N 2.82Å; Y174-S178 WeakPolarHBondContact O-CB 3.47Å; Y174-S178 PolarHBondContact O-N 3.46Å
175	E	51.9	Low	62.1	Low	125 Å²	125	107.5 Å²	107.5	58%	0.584	52%	0.522	S	S	*	.	H	α-helix	trans	-59.7	-39.7	170.4	-73.1	-176.2	139.8	0	0	111.3	F171 S178 N179	F171-E175 PolarHBondContact O-N 3.07Å; E175-S178 WeakPolarHBondContact O-CB 3.36Å; E175-S178 PolarHBondContact O-N 2.81Å; E175-N179 PolarHBondContact O-N 2.94Å; E175-N179 PolarHBondContact O-ND2 2.75Å
176	N	58.5	Low	62.2	Low	100 Å²	100	111 Å²	111	54%	0.535	53%	0.534	S	S	.	.	H	α-helix	trans	-68.2	-40.6	177.2	-151.6	17.4	0	0	0	111.9	K172 R173 Y174 S178 N179 I180	K172-N176 PolarHBondContact O-N 2.86Å; R173-N176 WeakPolarHBondContact O-CB 2.85Å; R173-N176 PolarHBondContact O-N 2.86Å; Y174-N176 VanDerWaalsContact C-N 3.27Å; Y174-N176 PolarHBondContact O-N 3.22Å; N176-S178 VanDerWaalsContact C-N 3.32Å; N176-S178 PolarHBondContact O-N 2.89Å; N176-N179 PolarHBondContact O-N 3.24Å; N176-I180 WeakPolarHBondContact O-CG1 3.47Å; N176-I180 PolarHBondContact O-N 3.21Å
177	Y	55.7	Low	62.2	Low	146 Å²	146	113.2 Å²	113.2	57%	0.573	54%	0.54	S	S	*	.	H	α-helix	trans	-63.5	-34.8	169.4	-77.7	-66.5	0	0	0	112.8	R173 Y174 I180 M181	R173-Y177 HydrophobicContact CG-CD2 4.44Å; R173-Y177 HydrophobicContact CG-CE2 4.07Å; R173-Y177 WeakPolarHBondContact O-CD2 3.49Å; R173-Y177 PolarHBondContact O-N 2.97Å; Y174-Y177 CarbonylContact O-C 3.6Å; Y174-Y177 PolarHBondContact O-N 2.82Å; Y177-I180 PolarHBondContact O-N 2.83Å; Y177-M181 VanDerWaalsContact O-CB 3.24Å; Y177-M181 WeakPolarHBondContact O-CB 3.5Å; Y177-M181 PolarHBondContact O-N 2.83Å
178	S	56.3	Low	62.4	Low	66 Å²	66	114.1 Å²	114.1	46%	0.462	54%	0.544	S	S	.	.	H	α-helix	trans	-65.7	-43.2	175.3	-170.4	0	0	0	0	111.5	Y174 E175 N176 I180 M181 M182	Y174-S178 WeakPolarHBondContact O-CB 3.47Å; Y174-S178 PolarHBondContact O-N 3.46Å; E175-S178 WeakPolarHBondContact O-CB 3.36Å; E175-S178 PolarHBondContact O-N 2.81Å; N176-S178 VanDerWaalsContact C-N 3.32Å; N176-S178 PolarHBondContact O-N 2.89Å; S178-I180 PolarHBondContact O-N 2.89Å; S178-M181 PolarHBondContact O-N 3.02Å; S178-M182 WeakPolarHBondContact O-CB 3.44Å; S178-M182 VanDerWaalsContact O-CG 3.27Å; S178-M182 WeakPolarHBondContact O-CG 3.49Å; S178-M182 PolarHBondContact O-N 2.96Å
179	N	62.5	Low	62.4	Low	110 Å²	110	114.3 Å²	114.3	59%	0.588	55%	0.547	S	S	*	.	H	α-helix	trans	-61.7	-42.5	173.6	-74.2	-44.1	0	0	0	112.1	E175 N176 M182 S183	E175-N179 PolarHBondContact O-N 2.94Å; E175-N179 PolarHBondContact O-ND2 2.75Å; N176-N179 PolarHBondContact O-N 3.24Å; N179-M182 PolarHBondContact O-N 2.96Å; N179-S183 PolarHBondContact O-N 2.82Å
180	I	64.7	Low	62.4	Low	86 Å²	86	113.1 Å²	113.1	44%	0.441	55%	0.546	S	S	.	.	H	α-helix	trans	-63.7	-46.4	174.6	-68.1	165.1	0	0	0	110.7	N176 Y177 S178 M182 S183 I184	N176-I180 WeakPolarHBondContact O-CG1 3.47Å; N176-I180 PolarHBondContact O-N 3.21Å; Y177-I180 PolarHBondContact O-N 2.83Å; S178-I180 PolarHBondContact O-N 2.89Å; I180-M182 VanDerWaalsContact C-N 3.33Å; I180-M182 PolarHBondContact O-N 3.17Å; I180-S183 WeakPolarHBondContact O-CB 3.37Å; I180-S183 PolarHBondContact O-N 3.12Å; I180-I184 HydrophobicContact CG2-CD1 3.75Å; I180-I184 HydrophobicContact CG2-CG1 4.47Å; I180-I184 WeakPolarHBondContact O-CG1 3.42Å; I180-I184 PolarHBondContact O-N 2.66Å
181	M	56	Low	62.6	Low	128 Å²	128	113 Å²	113	63%	0.631	55%	0.548	S	S	*	.	H	α-helix	trans	-62.2	-38.4	177.9	-169.9	66.9	71.7	0	0	112	Y177 S178 K185	Y177-M181 VanDerWaalsContact O-CB 3.24Å; Y177-M181 WeakPolarHBondContact O-CB 3.5Å; Y177-M181 PolarHBondContact O-N 2.83Å; S178-M181 PolarHBondContact O-N 3.02Å; M181-K185 WeakPolarHBondContact O-CB 3.3Å; M181-K185 PolarHBondContact O-N 2.7Å
182	M	61.5	Low	63	Low	116 Å²	116	108.2 Å²	108.2	57%	0.571	54%	0.536	S	S	*	.	H	α-helix	trans	-70.5	-35.1	174.8	-74	-69.6	-70.9	0	0	112.2	S178 N179 I180 K186	S178-M182 WeakPolarHBondContact O-CB 3.44Å; S178-M182 VanDerWaalsContact O-CG 3.27Å; S178-M182 WeakPolarHBondContact O-CG 3.49Å; S178-M182 PolarHBondContact O-N 2.96Å; N179-M182 PolarHBondContact O-N 2.96Å; I180-M182 VanDerWaalsContact C-N 3.33Å; I180-M182 PolarHBondContact O-N 3.17Å; M182-K186 VanDerWaalsContact O-CB 3.24Å; M182-K186 WeakPolarHBondContact O-CB 3.31Å; M182-K186 PolarHBondContact O-N 2.97Å
183	S	66.9	Low	63.1	Low	63 Å²	63	107.2 Å²	107.2	44%	0.441	54%	0.536	S	S	.	.	H	α-helix	trans	-64	-49.9	171.5	-158.8	0	0	0	0	111	N179 I180 K185 K186 E187	N179-S183 PolarHBondContact O-N 2.82Å; I180-S183 WeakPolarHBondContact O-CB 3.37Å; I180-S183 PolarHBondContact O-N 3.12Å; S183-K185 PolarHBondContact O-N 3.18Å; S183-K186 WeakPolarHBondContact O-CB 3.38Å; S183-K186 PolarHBondContact O-N 3.29Å; S183-K186 VanDerWaalsContact O-N 3.11Å; S183-E187 PolarHBondContact O-N 2.95Å
184	I	70.6	Confident	63.4	Low	81 Å²	81	105.7 Å²	105.7	42%	0.415	54%	0.537	S	S	.	.	H	α-helix	trans	-59.8	-45.6	177.1	-68.7	167.7	0	0	0	110.7	I180 K186 E187 I188	I180-I184 HydrophobicContact CG2-CD1 3.75Å; I180-I184 HydrophobicContact CG2-CG1 4.47Å; I180-I184 WeakPolarHBondContact O-CG1 3.42Å; I180-I184 PolarHBondContact O-N 2.66Å; I184-K186 VanDerWaalsContact C-N 3.28Å; I184-K186 PolarHBondContact O-N 2.84Å; I184-E187 PolarHBondContact O-N 2.61Å; I184-I188 HydrophobicContact CG2-CD1 3.67Å; I184-I188 HydrophobicContact CG2-CG1 4.37Å; I184-I188 WeakPolarHBondContact O-CB 3.37Å; I184-I188 VanDerWaalsContact O-CG1 3.27Å; I184-I188 WeakPolarHBondContact O-CG1 3.25Å; I184-I188 PolarHBondContact O-N 2.7Å
185	K	63.8	Low	63.5	Low	138 Å²	138	103.2 Å²	103.2	60%	0.6	53%	0.533	S	S	*	.	H	α-helix	trans	-61.2	-36	176.1	-173.5	176	-178.8	179.7	0	112.1	M181 S183 S189	M181-K185 WeakPolarHBondContact O-CB 3.3Å; M181-K185 PolarHBondContact O-N 2.7Å; S183-K185 PolarHBondContact O-N 3.18Å; K185-S189 WeakPolarHBondContact O-CB 3.42Å; K185-S189 PolarHBondContact O-N 2.83Å; K185-S189 PolarHBondContact O-OG 2.82Å
186	K	71.9	Confident	63.6	Low	165 Å²	165	103.1 Å²	103.1	72%	0.717	54%	0.536	S	S	*	.	H	α-helix	trans	-70.9	-40.8	177.4	-168.8	175.9	-176.8	-179.2	0	112	M182 S183 I184 S189 S190	M182-K186 VanDerWaalsContact O-CB 3.24Å; M182-K186 WeakPolarHBondContact O-CB 3.31Å; M182-K186 PolarHBondContact O-N 2.97Å; S183-K186 WeakPolarHBondContact O-CB 3.38Å; S183-K186 PolarHBondContact O-N 3.29Å; S183-K186 VanDerWaalsContact O-N 3.11Å; I184-K186 VanDerWaalsContact C-N 3.28Å; I184-K186 PolarHBondContact O-N 2.84Å; K186-S189 PolarHBondContact O-N 2.92Å; K186-S190 PolarHBondContact O-N 3Å
187	E	73.3	Confident	63.5	Low	116 Å²	116	105 Å²	105	54%	0.542	54%	0.542	S	S	.	.	H	α-helix	trans	-66.3	-45	173.7	-73.4	176.7	-167.1	0	0	112	S183 I184 S189 S190 L191	S183-E187 PolarHBondContact O-N 2.95Å; I184-E187 PolarHBondContact O-N 2.61Å; E187-S189 VanDerWaalsContact C-N 3.27Å; E187-S189 PolarHBondContact O-N 3.37Å; E187-S190 WeakPolarHBondContact CA-OG 3.28Å; E187-S190 PolarHBondContact O-N 3.12Å; E187-S190 VanDerWaalsContact O-N 3.08Å; E187-S190 PolarHBondContact O-OG 3.04Å; E187-L191 VanDerWaalsContact O-CD1 3.23Å; E187-L191 WeakPolarHBondContact O-CD1 3.45Å; E187-L191 PolarHBondContact O-N 3.03Å
188	I	69.9	Low	63.4	Low	114 Å²	114	105.2 Å²	105.2	59%	0.585	55%	0.546	S	S	*	.	H	α-helix	trans	-58	-42.1	173.5	-69.6	168.9	0	0	0	110.6	I184 S190 L191 G192	I184-I188 HydrophobicContact CG2-CD1 3.67Å; I184-I188 HydrophobicContact CG2-CG1 4.37Å; I184-I188 WeakPolarHBondContact O-CB 3.37Å; I184-I188 VanDerWaalsContact O-CG1 3.27Å; I184-I188 WeakPolarHBondContact O-CG1 3.25Å; I184-I188 PolarHBondContact O-N 2.7Å; I188-S190 VanDerWaalsContact C-N 3.34Å; I188-S190 PolarHBondContact O-N 2.87Å; I188-L191 PolarHBondContact O-N 2.84Å; I188-G192 PolarHBondContact O-N 2.75Å
189	S	67.4	Low	63	Low	67 Å²	67	108 Å²	108	47%	0.469	56%	0.555	S	S	.	*	H	α-helix	trans	-64.1	-36.9	176.3	-58.6	0	0	0	0	112.3	K185 K186 E187 L193	K185-S189 WeakPolarHBondContact O-CB 3.42Å; K185-S189 PolarHBondContact O-N 2.83Å; K185-S189 PolarHBondContact O-OG 2.82Å; K186-S189 PolarHBondContact O-N 2.92Å; E187-S189 VanDerWaalsContact C-N 3.27Å; E187-S189 PolarHBondContact O-N 3.37Å; S189-L193 PolarHBondContact O-N 3.36Å
190	S	70.3	Confident	62.2	Low	61 Å²	61	111.2 Å²	111.2	43%	0.427	57%	0.567	S	S	.	*	H	α-helix	trans	-72.1	-39.2	176.1	63	0	0	0	0	112.9	K186 E187 I188 L193 Q194	K186-S190 PolarHBondContact O-N 3Å; E187-S190 WeakPolarHBondContact CA-OG 3.28Å; E187-S190 PolarHBondContact O-N 3.12Å; E187-S190 VanDerWaalsContact O-N 3.08Å; E187-S190 PolarHBondContact O-OG 3.04Å; I188-S190 VanDerWaalsContact C-N 3.34Å; I188-S190 PolarHBondContact O-N 2.87Å; S190-L193 PolarHBondContact O-N 2.03Å; S190-Q194 WeakPolarHBondContact O-CB 3.48Å; S190-Q194 PolarHBondContact O-N 2.7Å
191	L	68.7	Low	61.2	Low	102 Å²	102	112.5 Å²	112.5	53%	0.534	58%	0.579	S	S	.	*	H	α-helix	trans	-64.9	-40.5	174.6	-90.3	75.3	0	0	0	111.4	E187 I188 L193 Q194 L195	E187-L191 VanDerWaalsContact O-CD1 3.23Å; E187-L191 WeakPolarHBondContact O-CD1 3.45Å; E187-L191 PolarHBondContact O-N 3.03Å; I188-L191 PolarHBondContact O-N 2.84Å; L191-L193 VanDerWaalsContact C-N 3.34Å; L191-L193 PolarHBondContact O-N 2.86Å; L191-Q194 PolarHBondContact O-N 3.49Å; L191-Q194 VanDerWaalsContact O-N 3.16Å; L191-L195 WeakPolarHBondContact O-CG 3.37Å; L191-L195 PolarHBondContact O-N 2.92Å
192	G	63.1	Low	60.6	Low	32 Å²	32	114.5 Å²	114.5	33%	0.33	59%	0.587	S	S	.	*	H	α-helix	trans	-60.1	-42.2	175	0	0	0	0	0	112.8	I188 Q194 L195 L196	I188-G192 PolarHBondContact O-N 2.75Å; G192-Q194 VanDerWaalsContact C-N 3.35Å; G192-L195 PolarHBondContact O-N 2.68Å; G192-L196 WeakPolarHBondContact O-CB 3.04Å; G192-L196 WeakPolarHBondContact O-CG 3.49Å; G192-L196 PolarHBondContact O-N 3.31Å
193	L	61.8	Low	59.3	Low	104 Å²	104	115.2 Å²	115.2	55%	0.545	60%	0.598	S	S	.	*	H	α-helix	trans	-63.4	-38.9	173.3	-115.9	152.1	0	0	0	112.4	S189 S190 L191 L196 Q197	S189-L193 PolarHBondContact O-N 3.36Å; S190-L193 PolarHBondContact O-N 2.03Å; L191-L193 VanDerWaalsContact C-N 3.34Å; L191-L193 PolarHBondContact O-N 2.86Å; L193-L196 PolarHBondContact O-N 2.74Å; L193-Q197 WeakPolarHBondContact O-CB 3.03Å; L193-Q197 WeakPolarHBondContact O-CG 3.33Å; L193-Q197 PolarHBondContact O-N 3.09Å
194	Q	63.5	Low	57.5	Low	138 Å²	138	122 Å²	122	65%	0.645	62%	0.62	S	S	*	*	H	α-helix	trans	-74.2	-24.1	-178.9	-158	170	22.1	0	0	113.3	S190 L191 G192	S190-Q194 WeakPolarHBondContact O-CB 3.48Å; S190-Q194 PolarHBondContact O-N 2.7Å; L191-Q194 PolarHBondContact O-N 3.49Å; L191-Q194 VanDerWaalsContact O-N 3.16Å; G192-Q194 VanDerWaalsContact C-N 3.35Å
195	L	55.3	Low	55.5	Low	109 Å²	109	123.1 Å²	123.1	57%	0.571	64%	0.641	S	S	*	*	H	α-helix	trans	-77.8	-48.1	169	-69.9	167.2	0	0	0	111.3	L191 G192 Q197 K198 D199	L191-L195 WeakPolarHBondContact O-CG 3.37Å; L191-L195 PolarHBondContact O-N 2.92Å; G192-L195 PolarHBondContact O-N 2.68Å; L195-Q197 PolarHBondContact O-N 3.22Å; L195-K198 WeakPolarHBondContact O-CA 3.5Å; L195-K198 WeakPolarHBondContact O-CB 3.42Å; L195-K198 PolarHBondContact O-N 2.61Å; L195-D199 PolarHBondContact O-N 2.83Å
196	L	53.8	Low	53.9	Low	123 Å²	123	124.5 Å²	124.5	64%	0.644	65%	0.65	S	S	*	*	H	α-helix	trans	-58.9	-31.5	177.4	-79	165.6	0	0	0	113.6	G192 L193 K198	G192-L196 WeakPolarHBondContact O-CB 3.04Å; G192-L196 WeakPolarHBondContact O-CG 3.49Å; G192-L196 PolarHBondContact O-N 3.31Å; L193-L196 PolarHBondContact O-N 2.74Å; L196-K198 VanDerWaalsContact C-N 3.29Å
197	Q	55.9	Low	51.7	Low	140 Å²	140	122.4 Å²	122.4	65%	0.654	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	-13	173.6	-76.1	-177.5	-17.4	0	0	114.2	L193 L195	L193-Q197 WeakPolarHBondContact O-CB 3.03Å; L193-Q197 WeakPolarHBondContact O-CG 3.33Å; L193-Q197 PolarHBondContact O-N 3.09Å; L195-Q197 PolarHBondContact O-N 3.22Å
198	K	54.3	Low	49.6	Very low	150 Å²	150	122.6 Å²	122.6	65%	0.652	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	-35.1	178.9	-160.3	176	-178.3	-173.9	0	112.2	L195 L196 Q200 T201	L195-K198 WeakPolarHBondContact O-CA 3.5Å; L195-K198 WeakPolarHBondContact O-CB 3.42Å; L195-K198 PolarHBondContact O-N 2.61Å; L196-K198 VanDerWaalsContact C-N 3.29Å; K198-Q200 PolarHBondContact O-N 2.97Å; K198-T201 PolarHBondContact O-N 3.08Å; K198-T201 PolarHBondContact O-OG1 2.93Å; K198-T201 VanDerWaalsContact O-OG1 3.14Å
199	D	48.2	Very low	47.6	Very low	124 Å²	124	123.5 Å²	123.5	66%	0.663	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	-6.2	-178.1	-63.2	-15.1	0	0	0	113.7	L195	L195-D199 PolarHBondContact O-N 2.83Å
200	Q	45.4	Very low	45.6	Very low	178 Å²	178	126.4 Å²	126.4	83%	0.832	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95	3.6	175.8	-70.5	-159	-20.2	0	0	115	K198	K198-Q200 PolarHBondContact O-N 2.97Å
201	T	44.5	Very low	43.6	Very low	114 Å²	114	129.9 Å²	129.9	70%	0.699	68%	0.681	S	S	*	*	S	Bend	trans	-111.4	11.1	180	45.1	0	0	0	0	115.4	K198	K198-T201 PolarHBondContact O-N 3.08Å; K198-T201 PolarHBondContact O-OG1 2.93Å; K198-T201 VanDerWaalsContact O-OG1 3.14Å
202	E	43.5	Very low	41.7	Very low	170 Å²	170	132.4 Å²	132.4	79%	0.794	69%	0.688	S	S	*	*	S	Bend	trans	-132.5	61	178	-68.8	-167.7	176.9	0	0	114.1
203	T	33.1	Very low	40	Very low	130 Å²	130	136.1 Å²	136.1	80%	0.798	70%	0.704	S	S	*	*			trans	-161.4	132.8	148.1	-4.3	0	0	0	0	114.2
204	K	29.2	Very low	38.5	Very low	206 Å²	206	139 Å²	139	90%	0.896	71%	0.712	S	S	*	*			trans	68	133.3	176.3	-58.9	179.6	179.7	177.9	0	114.9
205	A	29.5	Very low	36.8	Very low	104 Å²	104	139.1 Å²	139.1	86%	0.86	71%	0.713	S	S	*	*			cis	-142.6	173.7	-1.7	0	0	0	0	0	111.5
206	Q	29.6	Very low	35.7	Very low	168 Å²	168	139 Å²	139	79%	0.785	72%	0.717	S	S	*	*			trans	-92.6	161.1	-172.1	-153.1	178.3	-82.1	0	0	112.4
207	D	26.4	Very low	34.8	Very low	121 Å²	121	138.4 Å²	138.4	65%	0.647	72%	0.718	S	S	*	*			trans	85.4	136	155.4	-69.3	-47.8	0	0	0	123.2
208	T	28.8	Very low	33.6	Very low	120 Å²	120	139.4 Å²	139.4	74%	0.736	72%	0.721	S	S	*	*			trans	76.7	96.3	153.7	49	0	0	0	0	122.5
209	N	27.1	Very low	32.6	Very low	133 Å²	133	141.1 Å²	141.1	71%	0.711	73%	0.728	S	S	*	*				97.8	134.2	109.9	-82.7	41.3	0	0	0	124.8
210	D	26.6	Very low	32.3	Very low	128 Å²	128	139.8 Å²	139.8	68%	0.684	73%	0.726	S	S	*	*			trans	83.8	98.3	136.5	-59.9	-22.5	0	0	0	124.3
211	E	27.9	Very low	31.5	Very low	133 Å²	133	138 Å²	138	62%	0.621	72%	0.722	S	S	*	*				81	117.5	119	-65.5	-125.4	115.4	0	0	123.2
212	K	28.9	Very low	31	Very low	155 Å²	155	140.9 Å²	140.9	67%	0.674	73%	0.725	S	S	*	*			trans	69	154.1	133.3	-68.8	177	179.8	141.1	0	118.3
213	T	27.6	Very low	30.3	Very low	111 Å²	111	141.4 Å²	141.4	68%	0.681	73%	0.725	S	S	*	*			cis	-149.1	152.5	5.6	-14.7	0	0	0	0	113.1
214	K	28.8	Very low	30.3	Very low	163 Å²	163	140.1 Å²	140.1	71%	0.709	72%	0.721	S	S	*	*			trans	44.3	124.5	139.1	-89.2	174.7	169.4	-89.9	0	122.4
215	E	29.4	Very low	31.3	Very low	141 Å²	141	136.1 Å²	136.1	66%	0.659	72%	0.716	S	S	*	*				60.6	148.1	120.4	-70.9	-174.4	123.5	0	0	120.8
216	T	30.5	Very low	31.3	Very low	106 Å²	106	135.5 Å²	135.5	65%	0.65	71%	0.711	S	S	*	*			cis	-161.3	168.7	19.7	-9.4	0	0	0	0	112.1
217	V	35.3	Very low	31.5	Very low	112 Å²	112	132.9 Å²	132.9	68%	0.679	71%	0.711	S	S	*	*			trans	71	134	144.3	160.3	0	0	0	0	118.9
218	K	31.3	Very low	32.1	Very low	161 Å²	161	136.6 Å²	136.6	70%	0.7	72%	0.722	S	S	*	*			cis	-169.3	131.1	-17.4	-116.7	172.9	-162.9	160.4	0	110.8
219	K	32.3	Very low	32.5	Very low	185 Å²	185	137 Å²	137	80%	0.804	73%	0.726	S	S	*	*			trans	67.4	167.8	132	-82.9	-174.6	-179.3	-172.5	0	121.2
220	P	41.9	Very low	33.9	Very low	97 Å²	97	136.2 Å²	136.2	63%	0.63	73%	0.728	S	S	*	*			cis	-143.4	162.2	-22	33.9	-14	0	0	0	118.7
221	N	30.6	Very low	34.5	Very low	140 Å²	140	136.4 Å²	136.4	75%	0.749	74%	0.736	S	S	*	*			trans	68.3	156.3	136.7	-76.6	-7.7	0	0	0	122.5
222	K	32.8	Very low	34.9	Very low	174 Å²	174	139.6 Å²	139.6	76%	0.757	75%	0.748	S	S	*	*			cis	-168.3	140.4	-31.3	-127.7	-177.3	-175.1	-177.4	0	112.1
223	K	29.5	Very low	36.1	Very low	182 Å²	182	137.6 Å²	137.6	79%	0.791	75%	0.751	S	S	*	*			trans	20.7	114.8	146.2	-69.8	-168.6	174.6	-168.6	0	122.4
224	S	33.5	Very low	37.3	Very low	102 Å²	102	137.7 Å²	137.7	71%	0.713	75%	0.754	S	S	*	*				34.1	159	110	69.1	0	0	0	0	122.7
225	P	48.8	Very low	37.3	Very low	122 Å²	122	137.5 Å²	137.5	79%	0.792	75%	0.753	S	S	*	*			cis	-142.6	-175	-3.2	39.5	-17.9	0	0	0	118.2
226	A	29.2	Very low	37.6	Very low	91 Å²	91	136.6 Å²	136.6	75%	0.752	75%	0.749	S	S	*	*			trans	84.6	122.9	144.7	0	0	0	0	0	126.2
227	S	34.8	Very low	37.5	Very low	113 Å²	113	139.7 Å²	139.7	79%	0.79	75%	0.753	S	S	*	*			trans	51.1	113.6	141.9	59	0	0	0	0	127.2
228	K	39.5	Very low	37.4	Very low	200 Å²	200	140.1 Å²	140.1	87%	0.87	76%	0.756	S	S	*	*			trans	33.8	138.1	139.4	-71.3	-174.9	177	178	0	122.9
229	P	36.4	Very low	37.2	Very low	127 Å²	127	139 Å²	139	83%	0.825	76%	0.762	S	S	*	*				-149.3	170.4	104.1	38.5	-21.9	0	0	0	117.4
230	P	56.4	Low	36.9	Very low	117 Å²	117	139.3 Å²	139.3	76%	0.76	76%	0.763	S	S	*	*			trans	-134.6	149.3	-176.5	40.6	-24.5	0	0	0	118.9
231	P	40.3	Very low	36.8	Very low	132 Å²	132	140.5 Å²	140.5	86%	0.857	77%	0.771	S	S	*	*			trans	-124.5	-167.2	169.9	39.6	-25.8	0	0	0	116.1
232	K	35.8	Very low	36.4	Very low	200 Å²	200	141.2 Å²	141.2	87%	0.87	77%	0.768	S	S	*	*			trans	-162.2	178.3	-179.1	-108.9	-174.4	-178.7	177.9	0	110.1
233	P	54.2	Low	36	Very low	113 Å²	113	141.2 Å²	141.2	73%	0.734	77%	0.768	S	S	*	*			cis	-115.7	-141.5	-7.9	43.5	-28	0	0	0	109.6
234	P	51.4	Low	35.6	Very low	114 Å²	114	139.6 Å²	139.6	74%	0.74	76%	0.763	S	S	*	*			cis	-119.7	-143	-21.7	32.8	-8.8	0	0	0	110.7
235	K	30.1	Very low	35.2	Very low	159 Å²	159	139.4 Å²	139.4	69%	0.691	76%	0.761	S	S	*	*			cis	-155.5	-177.1	-3.2	-145	-175.1	-170.2	-79	0	110.5
236	E	35.3	Very low	34	Very low	122 Å²	122	139.2 Å²	139.2	57%	0.57	76%	0.758	S	S	*	*			trans	-24	162.4	150.5	-87.5	154.7	60.9	0	0	119.8
237	K	28.1	Very low	33.9	Very low	171 Å²	171	144.4 Å²	144.4	74%	0.743	76%	0.764	S	S	*	*			cis	-129.3	148.2	6	-72.4	-158.7	176.1	-178.8	0	112.3
238	V	33.7	Very low	33.9	Very low	121 Å²	121	145.1 Å²	145.1	73%	0.733	77%	0.766	S	S	*	*				63.8	125.1	80.1	-152.9	0	0	0	0	113.9
239	V	27.6	Very low	33.1	Very low	136 Å²	136	139.1 Å²	139.1	82%	0.824	76%	0.761	S	S	*	*			cis	-125.7	177.4	22.7	-141.6	0	0	0	0	114.8
240	K	25.8	Very low	32.5	Very low	193 Å²	193	142.1 Å²	142.1	84%	0.839	76%	0.761	S	S	*	*			trans	-147.2	-172.4	-174.9	-95.9	-175.7	179.9	179.2	0	109.3
241	P	38.3	Very low	31.1	Very low	122 Å²	122	142.9 Å²	142.9	79%	0.792	77%	0.765	S	S	*	*			cis	-130.2	-150.2	10.6	39.9	-16.5	0	0	0	112.5
242	K	23.5	Very low	30.5	Very low	155 Å²	155	144 Å²	144	67%	0.674	76%	0.762	S	S	*	*			cis	-148	-118.7	-0.3	-164.6	-152.3	153.8	-148.2	0	112.8	E244	K242-E244 IonicContact NZ-OE2 2.7Å; K242-E244 PolarHBondContact NZ-OE2 3.14Å
243	K	24.4	Very low	30.1	Very low	174 Å²	174	142.7 Å²	142.7	76%	0.757	76%	0.757	S	S	*	*			trans	-178.8	155.5	-170.9	-98	-169.1	177.4	-173.5	0	108.8
244	E	21	Very low	28.8	Very low	148 Å²	148	143.4 Å²	143.4	69%	0.692	76%	0.761	S	S	*	*				-179.2	-161.7	119.5	-141.7	82.1	-94.5	0	0	111.3	K242	K242-E244 IonicContact NZ-OE2 2.7Å; K242-E244 PolarHBondContact NZ-OE2 3.14Å
245	S	23.8	Very low	27.6	Very low	97 Å²	97	144 Å²	144	68%	0.678	76%	0.759	S	S	*	*			trans	-149.9	149.1	-152.5	60.8	0	0	0	0	118.1
246	T	24.4	Very low	27.6	Very low	119 Å²	119	141.7 Å²	141.7	73%	0.73	76%	0.76	S	S	*	*			trans	65.7	101.4	142.3	-50.1	0	0	0	0	122.4
247	K	26.7	Very low	27.2	Very low	199 Å²	199	142.7 Å²	142.7	87%	0.865	77%	0.774	S	S	*	*			trans	59.8	168.4	146.9	-71.3	-176	177.5	-178.3	0	118.9
248	P	35.7	Very low	27.2	Very low	129 Å²	129	138.8 Å²	138.8	84%	0.838	77%	0.774	S	S	*	*			cis	-126.2	176.6	-23.5	37.6	-22.7	0	0	0	113.8
249	G	22.6	Very low	26.9	Very low	74 Å²	74	143 Å²	143	76%	0.763	78%	0.783	S	S	*	*			trans	136	138.4	148.4	0	0	0	0	0	119.1
250	K	24	Very low	26.9	Very low	190 Å²	190	141 Å²	141	83%	0.826	78%	0.78	S	S	*	*			trans	29.2	121.1	162	-73.8	-177.8	174.8	178	0	120.5
251	P	26.6	Very low	27	Very low	132 Å²	132	141.5 Å²	141.5	86%	0.857	78%	0.782	S	S	*	*			trans	-76	141	150.8	33.2	-31.4	0	0	0	110.9
252	I	27.9	Very low	26.4	Very low	155 Å²	155	142.2 Å²	142.2	80%	0.795	78%	0.784	S	S	*	*			trans	-116.5	148.3	164.6	-69.4	179.4	0	0	0	108
253	K	27.2	Very low	26.6	Very low	174 Å²	174	139.3 Å²	139.3	76%	0.757	79%	0.789	S	S	*	*			trans	-58	139.8	-173.1	-55.6	177.6	-179.7	-178.4	0	113.3
254	P	26.7	Very low	26.7	Very low	127 Å²	127	133.8 Å²	133.8	83%	0.825	78%	0.782	S	S	*	*			trans	-80.9	145.2	133.3	33.8	-28.6	0	0	0	110.1
255	D	25.9	Very low	27.3	Very low	128 Å²	128	136.1 Å²	136.1	68%	0.684	79%	0.792	S	S	*	*			trans	-129.8	165.2	174.9	-143.1	9.5	0	0	0	108
256	P	29.5	Very low	27.7	Very low	109 Å²	109	139 Å²	139	71%	0.708	80%	0.795	S	S	*	*				-118.5	127.2	-84.4	34.2	-23.8	0	0	0	113.3	A258	P256-A258 PolarHBondContact O-N 2.96Å
257	T	27.8	Very low	28.2	Very low	143 Å²	143	138.3 Å²	138.3	88%	0.877	79%	0.792	S	S	*	*			trans	-78.3	117.7	178.4	-38.3	0	0	0	0	112
258	A	27.9	Very low	28.7	Very low	90 Å²	90	131.8 Å²	131.8	74%	0.744	78%	0.782	S	S	*	*			trans	35.7	98.1	159.6	0	0	0	0	0	118.1	P256 A260	P256-A258 PolarHBondContact O-N 2.96Å; A258-A260 PolarHBondContact O-N 2.91Å
259	K	27.6	Very low	28.9	Very low	209 Å²	209	130.5 Å²	130.5	91%	0.909	77%	0.771	S	S	*	*			trans	-59.9	125.5	168.7	-62.6	175.9	-178.6	176.4	0	111.3
260	A	28.7	Very low	29.7	Very low	93 Å²	93	131.7 Å²	131.7	77%	0.769	76%	0.763	S	S	*	*			trans	-61	135.6	157.6	0	0	0	0	0	109.1	A258 V262	A258-A260 PolarHBondContact O-N 2.91Å; A260-V262 PolarHBondContact O-N 2.83Å; A260-V262 VanDerWaalsContact O-N 3.13Å
261	K	25.8	Very low	30.5	Very low	205 Å²	205	132.3 Å²	132.3	89%	0.891	76%	0.761	S	S	*	*			trans	-69.7	110.9	-178.6	-76.3	-175.9	177.9	177.9	0	110.3	A263	K261-A263 PolarHBondContact O-N 2.95Å
262	V	27.6	Very low	31.2	Very low	136 Å²	136	128.3 Å²	128.3	82%	0.824	74%	0.743	S	S	*	*			trans	-58.7	124.5	155.7	175.8	0	0	0	0	107.2	A260 G264	A260-V262 PolarHBondContact O-N 2.83Å; A260-V262 VanDerWaalsContact O-N 3.13Å; V262-G264 PolarHBondContact O-N 2.84Å; V262-G264 VanDerWaalsContact O-N 3.13Å
263	A	27.5	Very low	31.9	Very low	94 Å²	94	125.2 Å²	125.2	78%	0.777	73%	0.727	S	S	*	*			trans	-63.7	113.9	170	0	0	0	0	0	108.1	K261 H265	K261-A263 PolarHBondContact O-N 2.95Å; A263-H265 PolarHBondContact O-N 3.42Å
264	G	27	Very low	32.5	Very low	59 Å²	59	120.8 Å²	120.8	61%	0.608	72%	0.715	S	S	*	*			trans	-60	135.8	-178.6	0	0	0	0	0	110.7	V262 Q266	V262-G264 PolarHBondContact O-N 2.84Å; V262-G264 VanDerWaalsContact O-N 3.13Å; G264-Q266 VanDerWaalsContact C-N 3.29Å; G264-Q266 PolarHBondContact O-N 2.91Å
265	H	32.7	Very low	33	Very low	197 Å²	197	121.6 Å²	121.6	91%	0.912	70%	0.703	S	S	*	*			trans	-68.9	91.9	172.1	-149.5	87.1	0	0	0	107.7	A263	A263-H265 PolarHBondContact O-N 3.42Å
266	Q	32.3	Very low	33.7	Very low	158 Å²	158	119.3 Å²	119.3	74%	0.738	69%	0.685	S	S	*	*			trans	-58.6	134.1	176.4	-68.5	-70.2	-6.5	0	0	108.6	G264 G268	G264-Q266 VanDerWaalsContact C-N 3.29Å; G264-Q266 PolarHBondContact O-N 2.91Å; Q266-G268 PolarHBondContact O-N 2.84Å
267	P	35.2	Very low	34	Very low	103 Å²	103	123 Å²	123	67%	0.669	69%	0.69	S	S	*	*			trans	-60	128.2	168.8	26.9	-32.7	0	0	0	108.1	V269	P267-V269 PolarHBondContact O-N 2.92Å
268	G	36.4	Very low	34.3	Very low	63 Å²	63	119.6 Å²	119.6	65%	0.649	68%	0.676	S	S	*	*			trans	-59.6	110	-177.3	0	0	0	0	0	110.8	Q266 V270	Q266-G268 PolarHBondContact O-N 2.84Å; G268-V270 PolarHBondContact O-N 2.95Å; G268-V270 VanDerWaalsContact O-N 3.1Å
269	V	39.4	Very low	34.5	Very low	102 Å²	102	119.7 Å²	119.7	62%	0.618	68%	0.677	S	S	*	*			trans	-73.6	105.2	-176.1	-176.7	0	0	0	0	109.1	P267 R271	P267-V269 PolarHBondContact O-N 2.92Å; V269-R271 HydrophobicContact CG1-CG 4.01Å; V269-R271 PolarHBondContact O-N 3.13Å
270	V	40.9	Very low	34.6	Very low	98 Å²	98	117.5 Å²	117.5	59%	0.594	67%	0.667	S	S	*	*			trans	-66	101.6	171.9	179.8	0	0	0	0	108.4	G268 I273	G268-V270 PolarHBondContact O-N 2.95Å; G268-V270 VanDerWaalsContact O-N 3.1Å; V270-I273 HydrophobicContact CG1-CG1 4.34Å
271	R	40.3	Very low	34.6	Very low	204 Å²	204	119.9 Å²	119.9	77%	0.77	67%	0.672	S	S	*	*			trans	-87.3	1.5	-176.8	-78.5	-174.1	168.7	175.5	-3.1	114.7	V269	V269-R271 HydrophobicContact CG1-CG 4.01Å; V269-R271 PolarHBondContact O-N 3.13Å
272	G	41	Very low	34.9	Very low	47 Å²	47	115.9 Å²	115.9	49%	0.485	66%	0.661	S	S	.	*			trans	176.1	156.5	172.1	0	0	0	0	0	113.8
273	I	42.3	Very low	34.9	Very low	90 Å²	90	112.9 Å²	112.9	46%	0.462	66%	0.657	S	S	.	*			trans	-127.1	122.8	168.2	-59.3	175.9	0	0	0	106.5	V270 Y275	V270-I273 HydrophobicContact CG1-CG1 4.34Å; I273-Y275 HydrophobicContact CB-CE2 4.37Å; I273-Y275 HydrophobicContact CG2-CD2 4.42Å; I273-Y275 HydrophobicContact CG2-CE1 4.29Å; I273-Y275 HydrophobicContact CG2-CE2 3.85Å
274	T	40.4	Very low	34.9	Very low	82 Å²	82	116.7 Å²	116.7	50%	0.503	66%	0.664	S	S	.	*			trans	-106.8	121.7	179.9	-53.7	0	0	0	0	109.6	Y276	T274-Y276 HydrophobicContact CG2-CE1 4.01Å; T274-Y276 HydrophobicContact CG2-CE2 3.91Å
275	Y	37.6	Very low	35	Very low	144 Å²	144	117.6 Å²	117.6	57%	0.565	67%	0.673	S	S	*	*			trans	-94.6	121.8	178.6	-61.2	-90.6	0	0	0	109.9	V64 I273	V64-Y275 HydrophobicContact CG1-CD1 3.63Å; V64-Y275 HydrophobicContact CG1-CE1 3.83Å; V64-Y275 HydrophobicContact CG1-CG 4.26Å; I273-Y275 HydrophobicContact CB-CE2 4.37Å; I273-Y275 HydrophobicContact CG2-CD2 4.42Å; I273-Y275 HydrophobicContact CG2-CE1 4.29Å; I273-Y275 HydrophobicContact CG2-CE2 3.85Å
276	Y	39.8	Very low	34.7	Very low	79 Å²	79	117.1 Å²	117.1	31%	0.31	67%	0.671	S	S	.	*			trans	-101.9	113.5	179.2	-63.9	-80.8	0	0	0	110.5	Y68 C83 T274	Y68-Y276 HydrophobicContact CE2-CD2 4.42Å; C83-Y276 PolarHBondContact O-OH 3.25Å; T274-Y276 HydrophobicContact CG2-CE1 4.01Å; T274-Y276 HydrophobicContact CG2-CE2 3.91Å
277	K	36.9	Very low	34.5	Very low	186 Å²	186	114.6 Å²	114.6	81%	0.809	67%	0.666	S	S	*	*			trans	-94.2	115.5	173.9	-176.7	179.3	179.7	-179.6	0	109.5	A279	K277-A279 PolarHBondContact O-N 3.44Å
278	A	33.5	Very low	34	Very low	72 Å²	72	116.5 Å²	116.5	60%	0.595	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-62.4	130.5	172.7	0	0	0	0	0	110.7
279	A	31.4	Very low	33.5	Very low	92 Å²	92	117.6 Å²	117.6	76%	0.76	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-77.3	141.6	168.8	0	0	0	0	0	109.6	K277	K277-A279 PolarHBondContact O-N 3.44Å
280	K	29.9	Very low	32.8	Very low	163 Å²	163	116.6 Å²	116.6	71%	0.709	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-68.3	139.2	172.1	-84.7	173.8	130.9	-104.1	0	110.2	D282	K280-D282 IonicContact NZ-OD1 2.66Å; K280-D282 PolarHBondContact NZ-OD1 2.99Å; K280-D282 IonicContact NZ-OD2 3.58Å; K280-D282 PolarHBondContact NZ-OD2 2.97Å
281	V	29.8	Very low	32.1	Very low	144 Å²	144	120.9 Å²	120.9	87%	0.873	71%	0.709	S	S	*	*			trans	-112	102.9	158.2	-179.2	0	0	0	0	105.7
282	D	30.3	Very low	31.5	Very low	121 Å²	121	117.3 Å²	117.3	65%	0.647	71%	0.705	S	S	*	*			trans	-97.7	145.1	173.5	-69.2	-47.2	0	0	0	108.6	K280	K280-D282 IonicContact NZ-OD1 2.66Å; K280-D282 PolarHBondContact NZ-OD1 2.99Å; K280-D282 IonicContact NZ-OD2 3.58Å; K280-D282 PolarHBondContact NZ-OD2 2.97Å
283	G	27.6	Very low	30.8	Very low	72 Å²	72	121.7 Å²	121.7	74%	0.742	72%	0.717	S	S	*	*			trans	-140.5	116	-177.7	0	0	0	0	0	113.3
284	D	29	Very low	30	Very low	175 Å²	175	122.7 Å²	122.7	94%	0.936	73%	0.732	S	S	*	*			trans	47.9	135.8	168.3	-65.8	-24.6	0	0	0	121
285	G	27.6	Very low	29.3	Very low	77 Å²	77	122.5 Å²	122.5	79%	0.794	74%	0.739	S	S	*	*			trans	-176.3	-19.1	-179.9	0	0	0	0	0	121.3
286	H	26.4	Very low	28.7	Very low	188 Å²	188	124 Å²	124	87%	0.87	75%	0.748	S	S	*	*			trans	74.7	132	167.1	-141.7	46.8	0	0	0	120.2
287	V	28.5	Very low	27.9	Very low	104 Å²	104	125.9 Å²	125.9	63%	0.63	77%	0.768	S	S	*	*			trans	48.7	108.6	160.9	-146.2	0	0	0	0	122.3
288	T	25.7	Very low	27.3	Very low	143 Å²	143	124.1 Å²	124.1	88%	0.877	76%	0.763	S	S	*	*				-168.8	157	100.4	23	0	0	0	0	110.4
289	G	25.5	Very low	26.9	Very low	86 Å²	86	125.5 Å²	125.5	89%	0.887	76%	0.764	S	S	*	*			trans	-94.9	147.8	-165	0	0	0	0	0	115.8
290	G	25.3	Very low	26.6	Very low	82 Å²	82	126.5 Å²	126.5	85%	0.845	76%	0.76	S	S	*	*			trans	-154.1	152.9	170.1	0	0	0	0	0	109.8
291	K	26.3	Very low	26.4	Very low	188 Å²	188	126.5 Å²	126.5	82%	0.817	76%	0.763	S	S	*	*			trans	-96.2	174.3	-176.1	-69.9	-176.8	174.8	179.6	0	112.6
292	D	26.7	Very low	26.1	Very low	129 Å²	129	127.5 Å²	127.5	69%	0.69	76%	0.758	S	S	*	*			trans	76.1	155.6	150.5	-65.2	-50.2	0	0	0	117.8
293	N	25.8	Very low	25.8	Very low	138 Å²	138	127.5 Å²	127.5	74%	0.738	76%	0.762	S	S	*	*			cis	-173.1	146.7	-41.9	-128.9	-46.7	0	0	0	108
294	S	26.2	Very low	25.4	Very low	112 Å²	112	132.1 Å²	132.1	78%	0.783	76%	0.762	S	S	*	*			trans	62.1	167.7	175.1	-129.8	0	0	0	0	114.7
295	A	25.8	Very low	25.1	Very low	78 Å²	78	132.6 Å²	132.6	65%	0.645	76%	0.758	S	S	*	*			cis	-132.4	149.4	-2.5	0	0	0	0	0	108.2
296	K	24.8	Very low	24.8	Very low	175 Å²	175	133.6 Å²	133.6	76%	0.761	75%	0.749	S	S	*	*				37.7	129.7	83.9	-61	-176.4	179.9	179.8	0	112.9
297	T	23.5	Very low	24.6	Very low	118 Å²	118	131.9 Å²	131.9	72%	0.724	74%	0.741	S	S	*	*				-158.4	125.7	60.4	-70.2	0	0	0	0	107.4
298	Q	24.6	Very low	24.4	Very low	149 Å²	149	131.3 Å²	131.3	70%	0.696	74%	0.742	S	S	*	*				58.2	144	88.3	-75.3	-176.1	-71.1	0	0	113.4
299	T	24.4	Very low	24.3	Very low	101 Å²	101	133.4 Å²	133.4	62%	0.62	74%	0.741	S	S	*	*			cis	-158.9	147.7	7.8	8.5	0	0	0	0	107.3
300	V	25.4	Very low	24.3	Very low	113 Å²	113	137.1 Å²	137.1	69%	0.685	74%	0.741	S	S	*	*				58.7	144.9	81.6	-175.9	0	0	0	0	112.3
301	Q	25.5	Very low	24.3	Very low	164 Å²	164	136.3 Å²	136.3	77%	0.766	73%	0.733	S	S	*	*			cis	-117.9	157.9	14.3	-110.7	105.2	1.4	0	0	111.5
302	H	22.8	Very low	24.2	Very low	165 Å²	165	131 Å²	131	76%	0.764	73%	0.731	S	S	*	*				67.4	128.3	60.7	-132.2	-23.1	0	0	0	112.3
303	V	23.5	Very low	24.2	Very low	121 Å²	121	129 Å²	129	73%	0.733	73%	0.733	S	S	*	*				-172.4	122.5	87.3	155.4	0	0	0	0	106.8
304	K	21	Very low	24.1	Very low	168 Å²	168	130.7 Å²	130.7	73%	0.73	74%	0.736	S	S	*	*				67.5	127	105.4	-139.1	-172.5	177	-171.5	0	113.8
305	E	21.2	Very low	24	Very low	186 Å²	186	132.1 Å²	132.1	87%	0.869	73%	0.734	S	S	*	*				-153.3	176.3	88.2	-90.8	178.5	164.4	0	0	114.8
306	T	21.1	Very low	24	Very low	97 Å²	97	135.4 Å²	135.4	60%	0.595	74%	0.739	S	S	*	*			trans	-131	155.3	-178.5	43.1	0	0	0	0	109.2
307	H	23	Very low	23.8	Very low	153 Å²	153	133.3 Å²	133.3	71%	0.708	74%	0.735	S	S	*	*				-149.4	179.3	61.1	-88.9	-76.1	0	0	0	111.8
308	S	23.9	Very low	23.9	Very low	92 Å²	92	135 Å²	135	64%	0.643	74%	0.735	S	S	*	*			cis	61.2	143.9	48.6	-20	0	0	0	0	112.9
309	E	24.7	Very low	23.8	Very low	186 Å²	186	132.9 Å²	132.9	87%	0.869	73%	0.732	S	S	*	*			cis	-140	158.2	10	-58.8	172.6	150.1	0	0	107.5
310	D	25.5	Very low	23.9	Very low	164 Å²	164	135.4 Å²	135.4	88%	0.877	74%	0.74	S	S	*	*			cis	-153.6	176.5	-5.3	-164	41.4	0	0	0	106.5
311	G	24.7	Very low	23.7	Very low	65 Å²	65	139.1 Å²	139.1	67%	0.67	75%	0.747	S	S	*	*			cis	-165.4	179.8	-0.4	0	0	0	0	0	108.2
312	G	24.5	Very low	23.7	Very low	77 Å²	77	134.7 Å²	134.7	79%	0.794	75%	0.745	S	S	*	*			cis	152	142.3	13.9	0	0	0	0	0	106.1
313	A	26.3	Very low	23.7	Very low	87 Å²	87	133.7 Å²	133.7	72%	0.719	75%	0.751	S	S	*	*			cis	-152.1	167.7	4.4	0	0	0	0	0	111.6
314	E	23.8	Very low	23.7	Very low	173 Å²	173	134.1 Å²	134.1	81%	0.808	75%	0.754	S	S	*	*			trans	42.8	125.5	145.9	-69.4	178.3	143.5	0	0	120.4
315	I	24.7	Very low	23.9	Very low	142 Å²	142	130.6 Å²	130.6	73%	0.728	76%	0.756	S	S	*	*			cis	59.6	115	18.5	-18	171.3	0	0	0	112.6
316	I	24.3	Very low	24	Very low	148 Å²	148	129.4 Å²	129.4	76%	0.759	76%	0.756	S	S	*	*				-170.6	156.4	78.3	-87.7	178.1	0	0	0	113
317	L	22.1	Very low	24.2	Very low	130 Å²	130	129.2 Å²	129.2	68%	0.681	76%	0.758	S	S	*	*			trans	-24.1	170.1	158.3	-71.2	62.1	0	0	0	119
318	E	24.6	Very low	24.2	Very low	155 Å²	155	128.3 Å²	128.3	72%	0.724	76%	0.764	S	S	*	*			cis	-166.3	170.2	2.6	-127	-172.4	-138.3	0	0	115
319	T	22.1	Very low	24.3	Very low	104 Å²	104	130 Å²	130	64%	0.638	77%	0.771	S	S	*	*			trans	50.3	133.7	136.5	-60.1	0	0	0	0	123.5
320	I	26.2	Very low	24.2	Very low	153 Å²	153	126.9 Å²	126.9	79%	0.785	76%	0.764	S	S	*	*				-175.4	146.7	121.6	-94.4	164.3	0	0	0	112.8
321	K	22.4	Very low	24.1	Very low	192 Å²	192	125.2 Å²	125.2	84%	0.835	76%	0.761	S	S	*	*			trans	-14	152.5	164.4	-52.2	162.6	-175.2	172.8	0	118.2
322	G	24.3	Very low	24.2	Very low	70 Å²	70	130.6 Å²	130.6	72%	0.722	77%	0.768	S	S	*	*			cis	102.6	120.5	10.9	0	0	0	0	0	113.9
323	T	23.2	Very low	24.2	Very low	145 Å²	145	133.2 Å²	133.2	89%	0.89	77%	0.769	S	S	*	*			trans	-166.8	173.2	169.1	-73.5	0	0	0	0	110.6
324	T	23.6	Very low	24.4	Very low	130 Å²	130	135 Å²	135	80%	0.798	77%	0.771	S	S	*	*			trans	-117	-178.3	-157.6	51.1	0	0	0	0	116.5
325	A	25.5	Very low	24.5	Very low	93 Å²	93	133.3 Å²	133.3	77%	0.769	77%	0.772	S	S	*	*			trans	86	155.1	165	0	0	0	0	0	116.5
326	D	23.9	Very low	24.5	Very low	161 Å²	161	132 Å²	132	86%	0.861	77%	0.77	S	S	*	*			cis	-146.6	-177.6	-1.6	-149.5	-17	0	0	0	112
327	S	24.3	Very low	24.5	Very low	93 Å²	93	130.8 Å²	130.8	65%	0.65	77%	0.77	S	S	*	*			trans	-114.8	135	-177.8	-177.5	0	0	0	0	113.6
328	T	23.6	Very low	24.7	Very low	135 Å²	135	129.9 Å²	129.9	83%	0.828	77%	0.77	S	S	*	*			trans	-154.6	146.1	161.6	-39.9	0	0	0	0	112
329	T	25	Very low	24.8	Very low	127 Å²	127	128.4 Å²	128.4	78%	0.779	77%	0.772	S	S	*	*			trans	-124.2	138.4	-179.2	-55.6	0	0	0	0	110.1
330	T	23.5	Very low	25	Very low	120 Å²	120	130.6 Å²	130.6	74%	0.736	79%	0.785	S	S	*	*			trans	-150.7	117.6	167.3	3.1	0	0	0	0	115.3
331	T	23.1	Very low	25.2	Very low	130 Å²	130	132.3 Å²	132.3	80%	0.798	79%	0.792	S	S	*	*			trans	60.4	145.3	139.8	47	0	0	0	0	124.5
332	E	28.1	Very low	25.4	Very low	178 Å²	178	128.1 Å²	128.1	83%	0.832	79%	0.794	S	S	*	*			trans	-79.3	174.1	170.6	-49.8	154.7	123.3	0	0	112.3
333	T	23.3	Very low	25.6	Very low	132 Å²	132	129.4 Å²	129.4	81%	0.81	80%	0.798	S	S	*	*				-176.8	151.6	117.1	-68.1	0	0	0	0	110.3
334	V	31.1	Very low	25.8	Very low	124 Å²	124	129.6 Å²	129.6	75%	0.752	80%	0.798	S	S	*	*			trans	-116.6	144.2	179.1	174.5	0	0	0	0	110.9
335	V	24.8	Very low	25.9	Very low	137 Å²	137	129.1 Å²	129.1	83%	0.83	80%	0.795	S	S	*	*			trans	-138.5	153.5	163.9	-176	0	0	0	0	110.4
336	T	25.6	Very low	26.1	Very low	115 Å²	115	131 Å²	131	71%	0.706	80%	0.798	S	S	*	*			trans	-147.8	142.2	-171.3	-58.4	0	0	0	0	112.2
337	T	25.1	Very low	26.3	Very low	123 Å²	123	129.3 Å²	129.3	76%	0.755	79%	0.794	S	S	*	*			trans	-156.3	120.3	162.7	37.6	0	0	0	0	108.2
338	T	25.6	Very low	26.4	Very low	111 Å²	111	129.5 Å²	129.5	68%	0.681	80%	0.8	S	S	*	*				63.6	138.1	71.9	65.2	0	0	0	0	113.8
339	T	27.2	Very low	26.6	Very low	124 Å²	124	128.6 Å²	128.6	76%	0.761	80%	0.8	S	S	*	*			cis	-174.9	153.8	0.2	17.1	0	0	0	0	109.3
340	T	24.6	Very low	26.9	Very low	149 Å²	149	129 Å²	129	91%	0.914	80%	0.803	S	S	*	*			trans	-170.2	163	138.2	19.5	0	0	0	0	112.5
341	M	30.6	Very low	27	Very low	189 Å²	189	130.1 Å²	130.1	93%	0.931	81%	0.809	S	S	*	*			trans	-125.6	152.3	-178.4	-58.9	166.7	67.6	0	0	111.8
342	A	28.2	Very low	27.4	Very low	105 Å²	105	132.2 Å²	132.2	87%	0.868	81%	0.812	S	S	*	*			trans	-157.7	151.9	153.1	0	0	0	0	0	109.7
343	A	28	Very low	27.7	Very low	97 Å²	97	130 Å²	130	80%	0.802	81%	0.813	S	S	*	*			trans	-153.5	152.4	-179.8	0	0	0	0	0	111.9
344	T	26.8	Very low	27.9	Very low	148 Å²	148	128.2 Å²	128.2	91%	0.908	81%	0.806	S	S	*	*			trans	-143.2	147.4	169.7	-38	0	0	0	0	110.3
345	T	26.6	Very low	27.8	Very low	120 Å²	120	128.2 Å²	128.2	74%	0.736	81%	0.806	S	S	*	*			trans	-127.7	141.8	-168.5	51.4	0	0	0	0	113.2
346	T	29.7	Very low	27.8	Very low	133 Å²	133	128.1 Å²	128.1	82%	0.816	81%	0.806	S	S	*	*			trans	-171.1	111.9	147.7	36.5	0	0	0	0	108
347	T	26.6	Very low	27.8	Very low	126 Å²	126	128.4 Å²	128.4	77%	0.773	81%	0.808	S	S	*	*				77.8	103.8	64.8	61.7	0	0	0	0	117.1
348	A	28.1	Very low	27.7	Very low	96 Å²	96	128.8 Å²	128.8	79%	0.793	81%	0.81	S	S	*	*			trans	61.5	160.7	147.4	0	0	0	0	0	118.8
349	S	27.7	Very low	27.7	Very low	117 Å²	117	129.5 Å²	129.5	82%	0.818	82%	0.815	S	S	*	*			cis	-147.2	165.3	16.2	-58.4	0	0	0	0	113.1
350	T	29.8	Very low	27.7	Very low	136 Å²	136	130.5 Å²	130.5	83%	0.834	82%	0.821	S	S	*	*			trans	-88.3	148.5	170.9	48.3	0	0	0	0	113.9
351	T	25.7	Very low	27.7	Very low	143 Å²	143	129.3 Å²	129.3	88%	0.877	81%	0.814	S	S	*	*			trans	-152	132.2	153.7	11.5	0	0	0	0	112.3
352	M	32.7	Very low	27.5	Very low	173 Å²	173	127.1 Å²	127.1	85%	0.852	81%	0.811	S	S	*	*			trans	-82	168.2	151.5	-83.7	-171.3	168.2	0	0	109.4
353	P	35.1	Very low	27.5	Very low	133 Å²	133	127.6 Å²	127.6	86%	0.864	81%	0.808	S	S	*	*				-136.7	167.6	111	38.6	-29.8	0	0	0	113.9
354	S	26.2	Very low	27.5	Very low	93 Å²	93	128 Å²	128	65%	0.65	81%	0.811	S	S	*	*			trans	-131.3	135.6	-178.1	58.3	0	0	0	0	112.4
355	T	28.8	Very low	27.5	Very low	125 Å²	125	125.5 Å²	125.5	77%	0.767	81%	0.806	S	S	*	*			trans	64.4	127.9	154	-37.1	0	0	0	0	119
356	T	24.2	Very low	27.7	Very low	134 Å²	134	124.9 Å²	124.9	82%	0.822	81%	0.812	S	S	*	*			trans	-163.9	145.8	133.5	-75.1	0	0	0	0	109.3
357	T	26.1	Very low	27.6	Very low	121 Å²	121	124.7 Å²	124.7	74%	0.742	81%	0.811	S	S	*	*			trans	-99.4	141.8	-177.2	-31.9	0	0	0	0	111.6
358	T	24.3	Very low	27.7	Very low	132 Å²	132	128 Å²	128	81%	0.81	82%	0.817	S	S	*	*			trans	-145	139	162.3	-29	0	0	0	0	111.5
359	T	25.3	Very low	27.5	Very low	125 Å²	125	134.5 Å²	134.5	77%	0.767	82%	0.822	S	S	*	*			trans	-115.9	132.4	178.5	49.2	0	0	0	0	111.7
360	T	25.7	Very low	27.5	Very low	145 Å²	145	137.1 Å²	137.1	89%	0.89	83%	0.825	S	S	*	*			trans	-150.3	160.8	160.7	13	0	0	0	0	110.5
361	T	25.7	Very low	27.4	Very low	125 Å²	125	138.2 Å²	138.2	77%	0.767	83%	0.826	S	S	*	*			trans	-117.5	164.1	-161.2	49.4	0	0	0	0	114
362	T	26.6	Very low	27.5	Very low	142 Å²	142	142.5 Å²	142.5	87%	0.871	83%	0.826	S	S	*	*			trans	65.2	153.6	167.3	50.7	0	0	0	0	116.5
363	S	28.1	Very low	27.5	Very low	116 Å²	116	140 Å²	140	81%	0.811	82%	0.823	S	S	*	*			cis	-134	177.1	7.1	58.5	0	0	0	0	112.2
364	A	27.7	Very low	27.2	Very low	105 Å²	105	137.4 Å²	137.4	87%	0.868	81%	0.813	S	S	*	*			trans	-92.1	140	179.8	0	0	0	0	0	112.8
365	A	26.4	Very low	27.4	Very low	96 Å²	96	138.9 Å²	138.9	79%	0.793	82%	0.821	S	S	*	*			trans	-145.6	133.9	161	0	0	0	0	0	108.5
366	A	30.5	Very low	27.7	Very low	106 Å²	106	137.6 Å²	137.6	88%	0.876	81%	0.812	S	S	*	*			trans	-82.5	136.7	179.5	0	0	0	0	0	110.8
367	V	28.7	Very low	28.2	Very low	129 Å²	129	137.2 Å²	137.2	78%	0.782	80%	0.804	S	S	*	*			trans	-137.9	124.2	168	-178.3	0	0	0	0	107	R369	V367-R369 PolarHBondContact O-N 3.15Å
368	E	27.8	Very low	28.6	Very low	195 Å²	195	135.7 Å²	135.7	91%	0.911	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-61.3	131.7	175.9	-63.3	177.5	137.6	0	0	109.8
369	R	25	Very low	29.2	Very low	233 Å²	233	130.3 Å²	130.3	88%	0.879	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-98	120.5	168.7	-76.8	-171.9	172.6	-173.9	-1.6	108.6	V367 D371	V367-R369 PolarHBondContact O-N 3.15Å; R369-D371 PolarHBondContact O-N 2.98Å
370	L	26.6	Very low	29.7	Very low	172 Å²	172	131.8 Å²	131.8	90%	0.901	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-64.4	119.9	165.3	-150.1	77.3	0	0	0	107.7	R372	L370-R372 PolarHBondContact O-N 2.88Å
371	D	27.9	Very low	30.3	Very low	159 Å²	159	127 Å²	127	85%	0.85	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-63.9	120	179.4	-84.4	-48.1	0	0	0	110.3	R369	R369-D371 PolarHBondContact O-N 2.98Å
372	R	28.6	Very low	30.7	Very low	233 Å²	233	126.9 Å²	126.9	88%	0.879	72%	0.715	S	S	*	*			trans	-108.8	117.2	172.9	-168.3	179.2	-169.8	-171.5	2.7	106.6	L370	L370-R372 PolarHBondContact O-N 2.88Å
373	P	32.7	Very low	31.4	Very low	120 Å²	120	125.9 Å²	125.9	78%	0.779	70%	0.704	S	S	*	*			trans	-58.9	149.5	-176.3	23	-32.8	0	0	0	111.3
374	A	29.2	Very low	31.8	Very low	80 Å²	80	124.3 Å²	124.3	66%	0.661	69%	0.694	S	S	*	*			trans	-59.4	153.4	175.1	0	0	0	0	0	110.7	T376	A374-T376 PolarHBondContact O-N 3.03Å
375	P	29.9	Very low	32.2	Very low	124 Å²	124	125.8 Å²	125.8	81%	0.805	69%	0.687	S	S	*	*			trans	-68.7	102.2	178.6	28.3	-34.1	0	0	0	110.5	I377	P375-I377 PolarHBondContact O-N 3Å; P375-I377 VanDerWaalsContact O-N 3.16Å
376	T	35.4	Very low	32.9	Very low	97 Å²	97	127.4 Å²	127.4	60%	0.595	68%	0.682	S	S	*	*			trans	-56.4	117	165.3	-50.8	0	0	0	0	108.5	A374 M378	A374-T376 PolarHBondContact O-N 3.03Å; T376-M378 PolarHBondContact O-N 3.43Å
377	I	34.6	Very low	33.2	Very low	126 Å²	126	129.5 Å²	129.5	65%	0.646	68%	0.679	S	S	*	*			trans	-74.5	100.3	171.7	-62.7	177.2	0	0	0	106.6	P375 L379	P375-I377 PolarHBondContact O-N 3Å; P375-I377 VanDerWaalsContact O-N 3.16Å; I377-L379 PolarHBondContact O-N 3.37Å; I377-L379 VanDerWaalsContact O-N 3.12Å
378	M	34.3	Very low	33.7	Very low	89 Å²	89	127.7 Å²	127.7	44%	0.438	67%	0.672	S	S	.	*			trans	-62.1	110.7	175.6	-65.2	-91.6	-75.1	0	0	108.9	T376 F380 V656	T376-M378 PolarHBondContact O-N 3.43Å; M378-F380 HydrophobicContact CB-CD2 4.22Å; M378-F380 HydrophobicContact CB-CE1 4.49Å; M378-F380 HydrophobicContact CB-CE2 3.78Å; M378-F380 HydrophobicContact CB-CZ 3.93Å; M378-F380 HydrophobicContact CE-CE1 4.43Å; M378-F380 VanDerWaalsContact O-CD2 3.26Å; M378-F380 WeakPolarHBondContact O-CD2 3.24Å; M378-F380 PolarHBondContact O-N 2.73Å; M378-V656 HydrophobicContact CE-CG1 3.72Å; M378-V656 HydrophobicContact SD-CG1 4.01Å; M378-V656 HydrophobicContact SD-CG2 4.43Å
379	L	35.8	Very low	34.1	Very low	19 Å²	19	129.5 Å²	129.5	10%	0.099	67%	0.671	C	S	.	*			trans	-67	111.5	158.8	-74.7	174.3	0	0	0	106.9	I377 L381 T404 V589 A606 A615	I377-L379 PolarHBondContact O-N 3.37Å; I377-L379 VanDerWaalsContact O-N 3.12Å; L379-L381 PolarHBondContact O-N 2.91Å; L379-T404 HydrophobicContact CB-CG2 3.95Å; L379-T404 PolarHBondContact O-OG1 2.93Å; L379-V589 HydrophobicContact CD1-CG1 4.01Å; L379-A606 HydrophobicContact CD1-CB 4.01Å; L379-A615 HydrophobicContact CD1-CB 4.12Å; L379-A615 HydrophobicContact CD2-CB 3.78Å; L379-A615 HydrophobicContact CG-CB 3.91Å
380	F	36.6	Very low	34.7	Very low	157 Å²	157	123.3 Å²	123.3	69%	0.689	66%	0.661	S	S	*	*			trans	-87	103.9	173.8	-68.6	-85.7	0	0	0	108.8	M378 D382	M378-F380 HydrophobicContact CB-CD2 4.22Å; M378-F380 HydrophobicContact CB-CE1 4.49Å; M378-F380 HydrophobicContact CB-CE2 3.78Å; M378-F380 HydrophobicContact CB-CZ 3.93Å; M378-F380 HydrophobicContact CE-CE1 4.43Å; M378-F380 VanDerWaalsContact O-CD2 3.26Å; M378-F380 WeakPolarHBondContact O-CD2 3.24Å; M378-F380 PolarHBondContact O-N 2.73Å; F380-D382 PolarHBondContact O-N 2.84Å; F380-D382 VanDerWaalsContact O-N 3.1Å
381	L	39	Very low	35.4	Very low	43 Å²	43	120.9 Å²	120.9	23%	0.225	65%	0.647	C	S	.	*			trans	-70.2	102	164.3	-82.1	80.4	0	0	0	108	L379 N383 T404 C587 V589	L379-L381 PolarHBondContact O-N 2.91Å; L381-N383 VanDerWaalsContact C-N 3.34Å; L381-N383 PolarHBondContact O-N 3.48Å; L381-T404 VanDerWaalsContact CD1-OG1 3.23Å; L381-T404 WeakPolarHBondContact CD1-OG1 3.44Å; L381-C587 HydrophobicContact CD2-CB 3.93Å; L381-V589 HydrophobicContact CD1-CG2 4.08Å
382	D	33.6	Very low	35.6	Very low	124 Å²	124	121 Å²	121	66%	0.663	65%	0.647	S	S	*	*			trans	-74.2	87.6	175.3	-164.8	-21.8	0	0	0	109.9	F380 S384	F380-D382 PolarHBondContact O-N 2.84Å; F380-D382 VanDerWaalsContact O-N 3.1Å; D382-S384 PolarHBondContact O-N 3.44Å; D382-S384 VanDerWaalsContact OD1-CB 3.22Å; D382-S384 WeakPolarHBondContact OD1-CB 3.46Å; D382-S384 PolarHBondContact OD1-OG 2.81Å
383	N	41.5	Very low	36.6	Very low	120 Å²	120	112 Å²	112	64%	0.642	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	28.1	-173.5	-162.6	17.4	0	0	0	113.5	L381	L381-N383 VanDerWaalsContact C-N 3.34Å; L381-N383 PolarHBondContact O-N 3.48Å
384	S	36.5	Very low	37	Very low	84 Å²	84	118 Å²	118	59%	0.587	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	-28.4	-172.1	57.2	0	0	0	0	114.3	D382 N386	D382-S384 PolarHBondContact O-N 3.44Å; D382-S384 VanDerWaalsContact OD1-CB 3.22Å; D382-S384 WeakPolarHBondContact OD1-CB 3.46Å; D382-S384 PolarHBondContact OD1-OG 2.81Å; S384-N386 VanDerWaalsContact C-N 3.28Å; S384-N386 PolarHBondContact O-N 2.67Å
385	D	36.4	Very low	37.6	Very low	136 Å²	136	116.2 Å²	116.2	73%	0.727	61%	0.607	S	S	*	*			trans	-88.7	51.2	-172.9	-117.9	-25.4	0	0	0	113.9	N387	D385-N387 PolarHBondContact O-N 2.9Å
386	N	39.8	Very low	38	Very low	129 Å²	129	113.6 Å²	113.6	69%	0.69	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	39.9	-176	-148.4	-20.7	0	0	0	113.6	S384	S384-N386 VanDerWaalsContact C-N 3.28Å; S384-N386 PolarHBondContact O-N 2.67Å
387	N	36.5	Very low	38.5	Very low	150 Å²	150	117.1 Å²	117.1	80%	0.802	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.3	-0.9	-178.9	-101.8	-42.5	0	0	0	113.7	D385 R389	D385-N387 PolarHBondContact O-N 2.9Å; N387-R389 PolarHBondContact O-N 3.1Å
388	S	40.4	Very low	39.5	Very low	92 Å²	92	117 Å²	117	64%	0.643	61%	0.609	S	S	*	*	S	Bend	trans	-68.3	128.6	166.7	64.9	0	0	0	0	109.6	P390	S388-P390 WeakPolarHBondContact O-CD 3.27Å
389	R	35.7	Very low	41.4	Very low	233 Å²	233	114.8 Å²	114.8	88%	0.879	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-58	126.8	179.4	-78.6	-179.3	172	177.3	-2.2	109.6	N387 I391	N387-R389 PolarHBondContact O-N 3.1Å; R389-I391 PolarHBondContact O-N 2.79Å; R389-I391 VanDerWaalsContact O-N 3.15Å
390	P	38.3	Very low	43.6	Very low	103 Å²	103	119.4 Å²	119.4	67%	0.669	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-55.5	122.6	177.1	-27.3	35	0	0	0	111.2	S388 L392	S388-P390 WeakPolarHBondContact O-CD 3.27Å; P390-L392 PolarHBondContact O-N 3.5Å
391	I	39.8	Very low	46.1	Very low	121 Å²	121	114.1 Å²	114.1	62%	0.621	61%	0.605	S	S	*	*			trans	-68.2	105.3	172.5	-62.9	179.5	0	0	0	106.5	R389 H393	R389-I391 PolarHBondContact O-N 2.79Å; R389-I391 VanDerWaalsContact O-N 3.15Å; I391-H393 VanDerWaalsContact C-N 3.3Å; I391-H393 PolarHBondContact O-CD2 2.91Å; I391-H393 PolarHBondContact O-N 2.88Å
392	L	33.4	Very low	48.2	Very low	160 Å²	160	116.6 Å²	116.6	84%	0.838	62%	0.616	S	S	*	*			trans	-78.1	80.8	-166.9	-155.3	164.4	0	0	0	110.5	P390 R394	P390-L392 PolarHBondContact O-N 3.5Å; L392-R394 PolarHBondContact O-N 2.03Å
393	H	48.8	Very low	50.7	Low	45 Å²	45	111 Å²	111	21%	0.208	59%	0.588	C	S	.	*			trans	-56	130.7	177	-73.9	-88.4	0	0	0	110.8	I391 A395 G396 Y478	I391-H393 VanDerWaalsContact C-N 3.3Å; I391-H393 PolarHBondContact O-CD2 2.91Å; I391-H393 PolarHBondContact O-N 2.88Å; H393-A395 PolarHBondContact O-N 3.14Å; H393-G396 PolarHBondContact O-N 3.3Å; H393-G396 VanDerWaalsContact O-N 3.1Å; H393-Y478 PolarHBondContact CE1-OH 2.85Å
394	R	42	Very low	53	Low	245 Å²	245	106.4 Å²	106.4	93%	0.925	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	3.5	-174.2	-151.5	176.5	-171.5	166.5	4.9	115.1	L392	L392-R394 PolarHBondContact O-N 2.03Å
395	A	40.9	Very low	55.8	Low	43 Å²	43	102.8 Å²	102.8	36%	0.355	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-7.6	-179	0	0	0	0	0	114.5	H393	H393-A395 PolarHBondContact O-N 3.14Å
396	G	39.3	Very low	58.5	Low	69 Å²	69	98.2 Å²	98.2	71%	0.711	52%	0.519	S	S	*	.			trans	72.1	33.5	163.8	0	0	0	0	0	116.9	H393	H393-G396 PolarHBondContact O-N 3.3Å; H393-G396 VanDerWaalsContact O-N 3.1Å
397	K	45.6	Very low	61.1	Low	172 Å²	172	94.1 Å²	94.1	75%	0.748	50%	0.501	S	S	*	.			trans	-135.1	138.6	159.5	-76.7	-162.7	170.6	-160.8	0	109.1
398	I	54.3	Low	64	Low	124 Å²	124	87.8 Å²	87.8	64%	0.636	47%	0.467	S	S	*	.			trans	-77.9	144.6	157.5	-58.6	171.9	0	0	0	106	D400	I398-D400 WeakPolarHBondContact CG2-OD1 3.36Å
399	L	75	Confident	66.6	Low	42 Å²	42	87.3 Å²	87.3	22%	0.22	45%	0.454	C	S	.	.			trans	-100.5	111.5	167.2	-69	172.5	0	0	0	105.8	E533 P635	L399-E533 HydrophobicContact CB-CB 4.34Å; L399-E533 HydrophobicContact CB-CG 4.22Å; L399-E533 WeakPolarHBondContact O-CB 3.48Å; L399-P635 HydrophobicContact CD1-CB 3.96Å; L399-P635 HydrophobicContact CD1-CG 3.87Å
400	D	82.7	Confident	69.5	Low	116 Å²	116	82.3 Å²	82.3	62%	0.62	45%	0.445	S	S	*	.			trans	-83.9	129.6	-174.7	-55.6	-50.1	0	0	0	110.1	I398 K638	I398-D400 WeakPolarHBondContact CG2-OD1 3.36Å; D400-K638 PolarHBondContact O-NZ 3.11Å
401	C	87.7	Confident	72.2	Confident	45 Å²	45	78.6 Å²	78.6	30%	0.304	42%	0.42	S	S	.	.			trans	-67.1	131.6	176.3	177.2	0	0	0	0	110.9	G403 E533 C587	C401-G403 PolarHBondContact SG-N 2.98Å; C401-E533 HydrophobicContact CB-CG 4.36Å; C401-C587 VanDerWaalsContact CA-SG 3.6Å; C401-C587 HydrophobicContact CB-CB 3.95Å; C401-C587 WeakPolarHBondContact CB-SG 3.49Å; C401-C587 WeakPolarHBondContact SG-CB 3.43Å; C401-C587 CovalentContact SG-SG 2.03Å; C401-C587 PolarHBondContact SG-SG 2.81Å
402	E	83.3	Confident	74.9	Confident	95 Å²	95	77.5 Å²	77.5	44%	0.444	41%	0.413	S	S	.	.			trans	-87	-20.6	174.2	-87.7	164.6	-158.5	0	0	113.1	K638 F655 Q658	E402-K638 VanDerWaalsContact CG-NZ 3.33Å; E402-K638 WeakPolarHBondContact OE1-CD 3.48Å; E402-K638 IonicContact OE1-NZ 3.9Å; E402-K638 PolarHBondContact OE1-NZ 3.38Å; E402-K638 VanDerWaalsContact OE2-CD 3.25Å; E402-K638 WeakPolarHBondContact OE2-CD 3.22Å; E402-K638 IonicContact OE2-NZ 3.71Å; E402-F655 HydrophobicContact CB-CB 4.08Å; E402-F655 HydrophobicContact CB-CD1 4.14Å; E402-F655 HydrophobicContact CB-CD2 3.47Å; E402-F655 VanDerWaalsContact CB-CD2 3.47Å; E402-F655 HydrophobicContact CB-CE1 4.47Å; E402-F655 HydrophobicContact CB-CE2 3.88Å; E402-F655 HydrophobicContact CB-CG 3.61Å; E402-F655 HydrophobicContact CB-CZ 4.36Å; E402-F655 HydrophobicContact CG-CD2 4.42Å; E402-F655 VanDerWaalsContact OE2-CD2 3.28Å; E402-F655 WeakPolarHBondContact OE2-CD2 3.36Å; E402-F655 WeakPolarHBondContact OE2-CE2 3.17Å; E402-Q658 PolarHBondContact O-NE2 2.63Å
403	G	86.8	Confident	77.9	Confident	8 Å²	8	74.3 Å²	74.3	8%	0.082	39%	0.392	C	S	.	.			trans	135.2	-147.9	168.2	0	0	0	0	0	113.2	C401 F655	C401-G403 PolarHBondContact SG-N 2.98Å; G403-F655 VanDerWaalsContact O-CD1 3.29Å; G403-F655 WeakPolarHBondContact O-CD1 3.48Å; G403-F655 WeakPolarHBondContact O-CE1 3.22Å
404	T	90.1	Very high	80.1	Confident	22 Å²	22	73.1 Å²	73.1	14%	0.135	39%	0.387	C	S	.	.	S	Bend	trans	-74.4	140.2	175.8	-50.4	0	0	0	0	110.6	L379 L381 A406 F655 V656	L379-T404 HydrophobicContact CB-CG2 3.95Å; L379-T404 PolarHBondContact O-OG1 2.93Å; L381-T404 VanDerWaalsContact CD1-OG1 3.23Å; L381-T404 WeakPolarHBondContact CD1-OG1 3.44Å; T404-A406 PolarHBondContact O-N 3.24Å; T404-F655 CarbonylContact O-C 3.3Å; T404-F655 WeakPolarHBondContact O-CA 3.39Å; T404-V656 PolarHBondContact O-N 2.96Å
405	L	94.3	Very high	82.5	Confident	8 Å²	8	63.3 Å²	63.3	4%	0.042	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	121.4	174.4	-179.7	65.9	0	0	0	110.1	S407 I408 F584 I586 Y591 L619 I653	L405-S407 WeakPolarHBondContact CD1-O 3.3Å; L405-I408 HydrophobicContact CD1-CG1 4.38Å; L405-I408 HydrophobicContact CD2-CD1 4.19Å; L405-I408 HydrophobicContact CD2-CG1 4.15Å; L405-F584 HydrophobicContact CD2-CE2 4.05Å; L405-F584 HydrophobicContact CD2-CZ 4.09Å; L405-I586 HydrophobicContact CD1-CD1 4.39Å; L405-I586 HydrophobicContact CD2-CD1 4.35Å; L405-Y591 HydrophobicContact CB-CE1 3.92Å; L405-Y591 HydrophobicContact CB-CE2 4.21Å; L405-Y591 HydrophobicContact CD2-CD1 4.22Å; L405-Y591 HydrophobicContact CD2-CE1 4.23Å; L405-Y591 HydrophobicContact CD2-CG 4.4Å; L405-Y591 PolarHBondContact N-OH 3.02Å; L405-L619 HydrophobicContact CB-CD1 4.32Å; L405-L619 HydrophobicContact CD2-CD1 3.75Å; L405-L619 HydrophobicContact CG-CD1 3.65Å; L405-I653 HydrophobicContact CD1-CB 3.63Å; L405-I653 HydrophobicContact CD1-CD1 4.2Å; L405-I653 HydrophobicContact CD1-CG1 4.47Å; L405-I653 HydrophobicContact CD1-CG2 3.84Å
406	A	93.6	Very high	85	Confident	40 Å²	40	63.9 Å²	63.9	33%	0.331	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-40	179.1	0	0	0	0	0	112.8	T404 L619 H654 V656	T404-A406 PolarHBondContact O-N 3.24Å; A406-L619 WeakPolarHBondContact O-CD2 2.91Å; A406-H654 WeakPolarHBondContact CB-O 3.38Å; A406-H654 PolarHBondContact N-O 3.49Å; A406-V656 HydrophobicContact CB-CG2 3.72Å
407	S	94.8	Very high	87.4	Confident	44 Å²	44	63.4 Å²	63.4	31%	0.308	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	163.5	178.3	68.9	0	0	0	0	112.5	L405 I653 H654	L405-S407 WeakPolarHBondContact CD1-O 3.3Å; S407-I653 WeakPolarHBondContact O-CA 3.23Å; S407-H654 PolarHBondContact N-O 3.14Å; S407-H654 PolarHBondContact O-N 3.28Å
408	I	96.6	Very high	89.5	Confident	16 Å²	16	57.5 Å²	57.5	8%	0.082	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	132.5	174.2	-53.5	176.9	0	0	0	106.7	L405 F584 V603 F621 L640 Y651 I653	L405-I408 HydrophobicContact CD1-CG1 4.38Å; L405-I408 HydrophobicContact CD2-CD1 4.19Å; L405-I408 HydrophobicContact CD2-CG1 4.15Å; I408-F584 HydrophobicContact CD1-CZ 4.31Å; I408-V603 HydrophobicContact CD1-CG2 3.68Å; I408-F621 HydrophobicContact CD1-CD2 3.7Å; I408-F621 HydrophobicContact CD1-CE2 4.14Å; I408-F621 HydrophobicContact CG2-CD2 4.1Å; I408-F621 HydrophobicContact CG2-CE2 4.15Å; I408-L640 HydrophobicContact CD1-CD1 4.08Å; I408-L640 HydrophobicContact CG2-CD1 4.36Å; I408-Y651 HydrophobicContact CG2-CD1 3.84Å; I408-Y651 HydrophobicContact CG2-CG 3.98Å; I408-I653 HydrophobicContact CG1-CG2 4.18Å; I408-I653 HydrophobicContact CG2-CG2 4.36Å
409	E	96.4	Very high	91.4	Very high	82 Å²	82	57.7 Å²	57.7	38%	0.383	31%	0.31	S	S	.	.			trans	-76.7	175.7	176.8	-64.7	-161.2	153.6	0	0	112.5	Y651 N652 H654	E409-Y651 WeakPolarHBondContact O-CD1 3.45Å; E409-N652 HydrophobicContact CB-CB 4.12Å; E409-N652 HydrophobicContact CG-CB 3.95Å; E409-N652 PolarHBondContact N-O 3.46Å; E409-N652 WeakPolarHBondContact OE2-CB 3.49Å; E409-N652 PolarHBondContact OE2-ND2 3.21Å; E409-H654 IonicContact OE1-CD2 3.34Å; E409-H654 IonicContact OE1-CE1 3.68Å; E409-H654 IonicContact OE1-NE2 3.6Å; E409-H654 PolarHBondContact OE1-NE2 3.19Å
410	L	95.2	Very high	92.3	Very high	129 Å²	129	59.7 Å²	59.7	68%	0.675	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-67.7	147.9	170.6	-66.7	174.2	0	0	0	111.1	E412 T622	L410-E412 PolarHBondContact O-N 3.09Å; L410-T622 HydrophobicContact CD2-CG2 4.24Å
411	P	95.8	Very high	92.8	Very high	25 Å²	25	55.6 Å²	55.6	16%	0.162	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-69.1	127.2	-175	24.8	-33.3	0	0	0	113.7	E624 I649 Y651	P411-E624 HydrophobicContact CG-CB 3.81Å; P411-I649 HydrophobicContact CB-CB 4.23Å; P411-I649 HydrophobicContact CB-CD1 3.9Å; P411-I649 HydrophobicContact CB-CG1 4.4Å; P411-Y651 HydrophobicContact CB-CD1 3.94Å; P411-Y651 HydrophobicContact CB-CE1 3.56Å; P411-Y651 HydrophobicContact CG-CE1 3.9Å
412	E	96.3	Very high	93.1	Very high	97 Å²	97	53.4 Å²	53.4	45%	0.453	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	120.2	167.1	-165.8	-162.2	134.3	0	0	110.5	L410 Q414 I649 T650	L410-E412 PolarHBondContact O-N 3.09Å; E412-Q414 PolarHBondContact O-N 2.82Å; E412-Q414 PolarHBondContact OE1-NE2 2.81Å; E412-I649 CarbonylContact O-C 3.59Å; E412-I649 VanDerWaalsContact O-CA 3.3Å; E412-I649 WeakPolarHBondContact O-CA 3.23Å; E412-T650 PolarHBondContact N-O 3.16Å; E412-T650 PolarHBondContact O-N 2.99Å; E412-T650 PolarHBondContact O-OG1 3.04Å
413	K	95.9	Very high	93.7	Very high	93 Å²	93	48.9 Å²	48.9	40%	0.404	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	112.5	173	178.9	-179	179.9	158.7	0	111.4	S416 H647	K413-S416 WeakPolarHBondContact CE-OG 3.19Å; K413-S416 PolarHBondContact NZ-OG 2.79Å; K413-H647 VanDerWaalsContact CE-CD2 3.42Å; K413-H647 WeakPolarHBondContact CE-CD2 3.36Å; K413-H647 PolarHBondContact NZ-CD2 2.87Å; K413-H647 PolarHBondContact NZ-NE2 2.96Å
414	Q	94.8	Very high	94.2	Very high	21 Å²	21	48.7 Å²	48.7	10%	0.098	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	-48.7	172.3	-60.4	-58	-23.5	0	0	112.2	E412 W424 L452 K456 Q648 T650	E412-Q414 PolarHBondContact O-N 2.82Å; E412-Q414 PolarHBondContact OE1-NE2 2.81Å; Q414-W424 HydrophobicContact CB-CH2 4.02Å; Q414-W424 HydrophobicContact CG-CH2 3.81Å; Q414-W424 HydrophobicContact CG-CZ2 4.32Å; Q414-L452 HydrophobicContact CB-CD1 4.48Å; Q414-K456 WeakPolarHBondContact O-CD 3.04Å; Q414-K456 WeakPolarHBondContact O-CE 3.41Å; Q414-K456 WeakPolarHBondContact O-CG 3.43Å; Q414-Q648 WeakPolarHBondContact CA-O 3.44Å; Q414-Q648 WeakPolarHBondContact CB-O 3.49Å; Q414-Q648 PolarHBondContact N-O 3.47Å; Q414-T650 HydrophobicContact CG-CG2 3.91Å; Q414-T650 PolarHBondContact NE2-OG1 3.48Å
415	H	93.5	Very high	94.5	Very high	39 Å²	39	48 Å²	48	18%	0.181	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	179.5	-179.3	-159.5	33.9	0	0	0	113.6	F455 K456 Q648	H415-F455 HydrophobicContact CB-CD1 4.05Å; H415-F455 HydrophobicContact CB-CE1 3.43Å; H415-F455 VanDerWaalsContact CB-CE1 3.43Å; H415-F455 HydrophobicContact CB-CZ 3.75Å; H415-F455 AromaticContact CD2-CE2 3.92Å; H415-F455 AromaticContact CD2-CZ 3.86Å; H415-F455 PolarHBondContact CD2-O 3.19Å; H415-F455 PolarHBondContact NE2-O 3.32Å; H415-F455 VanDerWaalsContact NE2-O 3.15Å; H415-K456 PolarHBondContact CE1-O 3.39Å; H415-Q648 PolarHBondContact N-O 2.82Å; H415-Q648 VanDerWaalsContact N-O 3.14Å; H415-Q648 PolarHBondContact O-N 3.29Å
416	S	93.1	Very high	94.6	Very high	55 Å²	55	49.1 Å²	49.1	39%	0.385	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	99.6	167.6	-70.4	0	0	0	0	108.4	K413 G646 H647	K413-S416 WeakPolarHBondContact CE-OG 3.19Å; K413-S416 PolarHBondContact NZ-OG 2.79Å; S416-G646 WeakPolarHBondContact CA-O 3.34Å; S416-H647 PolarHBondContact OG-CD2 3.35Å; S416-H647 PolarHBondContact OG-NE2 2.91Å
417	Y	90	Very high	94.7	Very high	58 Å²	58	47.6 Å²	47.6	23%	0.227	25%	0.245	C	C	.	.			trans	-137.9	141.3	-176	178.9	-88.9	0	0	0	111.2	V437 F449 F455 W643 G646 Q648	Y417-V437 HydrophobicContact CD1-CG1 3.99Å; Y417-V437 HydrophobicContact CE1-CG1 3.93Å; Y417-F449 HydrophobicContact CD2-CZ 4.5Å; Y417-F449 HydrophobicContact CE1-CZ 4.23Å; Y417-F449 HydrophobicContact CE2-CZ 4Å; Y417-F449 AromaticContact CZ-CZ 3.86Å; Y417-F455 HydrophobicContact CG-CE2 4.35Å; Y417-W643 VanDerWaalsContact O-CH2 3.25Å; Y417-W643 WeakPolarHBondContact O-CH2 3.2Å; Y417-W643 WeakPolarHBondContact O-CZ2 3.24Å; Y417-G646 PolarHBondContact N-O 2.84Å; Y417-Q648 PolarHBondContact O-NE2 3.08Å
418	G	90.4	Very high	94.7	Very high	48 Å²	48	46 Å²	46	50%	0.495	23%	0.234	S	C	.	.	S	Bend	trans	87.1	-145.1	175.1	0	0	0	0	0	114.1	N439	G418-N439 WeakPolarHBondContact CA-OD1 3.43Å
419	R	93.5	Very high	94.5	Very high	128 Å²	128	46.7 Å²	46.7	48%	0.483	24%	0.238	S	C	.	.			trans	-100.9	175	177.7	-68.6	-177.6	173.6	-162.5	-4.2	111.2	E421 N439 Y440 W643 G646	R419-E421 PolarHBondContact O-N 2.69Å; R419-N439 PolarHBondContact N-OD1 2.96Å; R419-Y440 HydrophobicContact CB-CD2 4.25Å; R419-Y440 HydrophobicContact CG-CD2 4.44Å; R419-Y440 VanDerWaalsContact NH1-CE2 3.26Å; R419-W643 WeakPolarHBondContact O-CZ2 3.34Å; R419-W643 PolarHBondContact O-NE1 3.02Å; R419-W643 VanDerWaalsContact O-NE1 3.14Å; R419-G646 WeakPolarHBondContact O-CA 3.46Å
420	N	93.5	Very high	94.3	Very high	84 Å²	84	43.7 Å²	43.7	45%	0.449	23%	0.227	S	C	.	.	S	Bend	trans	-52.4	-36.9	175.8	-59.4	53.3	0	0	0	111.9	Y627 W643 N645 G646	N420-Y627 HydrophobicContact CB-CD1 4.48Å; N420-W643 PolarHBondContact O-NE1 3.02Å; N420-N645 PolarHBondContact ND2-OD1 3.42Å; N420-N645 CarbonylContact O-C 3.55Å; N420-G646 PolarHBondContact O-N 3.4Å
421	E	93.4	Very high	93.9	Very high	30 Å²	30	47.1 Å²	47.1	14%	0.14	24%	0.237	C	C	.	.	S	Bend	trans	-105.8	144.1	178.7	-35.4	83	160.9	0	0	112	R419 Y440 Y441 W521 Y627 T629 W643	R419-E421 PolarHBondContact O-N 2.69Å; E421-Y440 HydrophobicContact CB-CD2 4.4Å; E421-Y440 VanDerWaalsContact O-CA 3.23Å; E421-Y440 WeakPolarHBondContact O-CA 3.41Å; E421-Y440 PolarHBondContact O-N 3.28Å; E421-Y440 WeakPolarHBondContact OE2-CD2 3.38Å; E421-Y440 VanDerWaalsContact OE2-CE2 3.23Å; E421-Y440 WeakPolarHBondContact OE2-CE2 3.44Å; E421-Y441 HydrophobicContact CB-CD1 4.1Å; E421-Y441 HydrophobicContact CG-CD1 3.97Å; E421-W521 HydrophobicContact CB-CH2 4.35Å; E421-W521 HydrophobicContact CB-CZ3 4.17Å; E421-W521 HydrophobicContact CG-CE3 4.27Å; E421-W521 HydrophobicContact CG-CH2 4.22Å; E421-W521 HydrophobicContact CG-CZ3 3.62Å; E421-Y627 HydrophobicContact CG-CE1 4.14Å; E421-T629 HydrophobicContact CB-CG2 4.35Å; E421-W643 VanDerWaalsContact C-NE1 3.33Å
422	G	94.9	Very high	93.7	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.3	-170	175	0	0	0	0	0	111.4	T438 T473 T629 W643	G422-T438 CarbonylContact C-O 3.57Å; G422-T438 WeakPolarHBondContact CA-O 3.44Å; G422-T473 VanDerWaalsContact O-CG2 3.29Å; G422-T473 WeakPolarHBondContact O-CG2 3.07Å; G422-T629 PolarHBondContact O-OG1 2.86Å; G422-W643 WeakPolarHBondContact O-CB 3.44Å
423	A	95.9	Very high	93.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	152.9	169.1	0	0	0	0	0	111.2	M425 V437 T438 T473 Q630	A423-M425 HydrophobicContact CB-CE 3.86Å; A423-V437 WeakPolarHBondContact O-CA 3.38Å; A423-T438 PolarHBondContact N-O 2.8Å; A423-T438 PolarHBondContact O-N 2.86Å; A423-T438 PolarHBondContact O-OG1 2.76Å; A423-T473 WeakPolarHBondContact CB-O 3.15Å; A423-Q630 VanDerWaalsContact CA-OE1 3.3Å; A423-Q630 HydrophobicContact CB-CB 4.17Å; A423-Q630 HydrophobicContact CB-CG 3.77Å
424	W	97.2	Very high	93.5	Very high	3 Å²	3	46 Å²	46	1%	0.011	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	139.5	177.8	77.4	-59.8	0	0	0	111.6	Q414 I435 Y436 V437 F455 Q630 Y641 A642 W643 Q648 I649 T650	Q414-W424 HydrophobicContact CB-CH2 4.02Å; Q414-W424 HydrophobicContact CG-CH2 3.81Å; Q414-W424 HydrophobicContact CG-CZ2 4.32Å; W424-I435 HydrophobicContact CE3-CG2 3.79Å; W424-I435 HydrophobicContact CZ3-CD1 4.41Å; W424-I435 HydrophobicContact CZ3-CG2 4.33Å; W424-Y436 VanDerWaalsContact CA-O 3.32Å; W424-Y436 WeakPolarHBondContact CA-O 3.45Å; W424-V437 HydrophobicContact CB-CG2 3.98Å; W424-F455 AromaticContact CE3-CE1 3.92Å; W424-F455 HydrophobicContact CE3-CE1 3.92Å; W424-F455 HydrophobicContact CE3-CZ 4.35Å; W424-F455 HydrophobicContact CZ3-CD1 4.45Å; W424-F455 HydrophobicContact CZ3-CE1 4.09Å; W424-Q630 VanDerWaalsContact CD1-OE1 3.31Å; W424-Q630 PolarHBondContact O-NE2 2.9Å; W424-Y641 AromaticContact CD2-CD1 3.82Å; W424-Y641 HydrophobicContact CD2-CD1 3.82Å; W424-Y641 HydrophobicContact CD2-CE1 4.29Å; W424-Y641 AromaticContact CE2-CD1 3.59Å; W424-Y641 AromaticContact CE3-CD1 3.98Å; W424-Y641 HydrophobicContact CE3-CD1 3.98Å; W424-Y641 AromaticContact CE3-CE1 3.98Å; W424-Y641 HydrophobicContact CE3-CE1 3.98Å; W424-Y641 AromaticContact CH2-CD1 3.66Å; W424-Y641 HydrophobicContact CH2-CD1 3.66Å; W424-Y641 AromaticContact CH2-CE1 3.44Å; W424-Y641 HydrophobicContact CH2-CE1 3.44Å; W424-Y641 VanDerWaalsContact CH2-CE1 3.44Å; W424-Y641 AromaticContact CZ2-CD1 3.52Å; W424-Y641 HydrophobicContact CZ2-CD1 3.52Å; W424-Y641 AromaticContact CZ2-CE1 3.84Å; W424-Y641 HydrophobicContact CZ2-CE1 3.84Å; W424-Y641 HydrophobicContact CZ2-CG 4.36Å; W424-Y641 AromaticContact CZ3-CD1 3.91Å; W424-Y641 HydrophobicContact CZ3-CD1 3.91Å; W424-Y641 AromaticContact CZ3-CE1 3.55Å; W424-Y641 HydrophobicContact CZ3-CE1 3.55Å; W424-A642 PolarHBondContact NE1-O 2.87Å; W424-W643 HydrophobicContact CB-CE3 4.1Å; W424-W643 HydrophobicContact CB-CZ3 4.14Å; W424-W643 HydrophobicContact CG-CE3 4.32Å; W424-Q648 HydrophobicContact CB-CG 4.22Å; W424-Q648 HydrophobicContact CD2-CB 3.75Å; W424-Q648 HydrophobicContact CD2-CG 3.93Å; W424-Q648 HydrophobicContact CE3-CB 4.3Å; W424-Q648 HydrophobicContact CG-CB 4Å; W424-Q648 HydrophobicContact CG-CG 3.67Å; W424-Q648 HydrophobicContact CZ2-CB 4.16Å; W424-I649 WeakPolarHBondContact CZ2-O 3.46Å; W424-T650 HydrophobicContact CH2-CG2 3.66Å; W424-T650 HydrophobicContact CZ2-CG2 3.63Å
425	M	96.1	Very high	93.5	Very high	8 Å²	8	45 Å²	45	4%	0.039	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	162.6	-163.4	62.2	-148.4	60.2	0	0	111.7	A423 I435 Y436 H475 V477 F482	A423-M425 HydrophobicContact CB-CE 3.86Å; M425-I435 WeakPolarHBondContact O-CA 3.25Å; M425-Y436 PolarHBondContact N-O 3.15Å; M425-Y436 PolarHBondContact O-N 2.91Å; M425-H475 HydrophobicContact CE-CB 4.24Å; M425-H475 WeakPolarHBondContact CE-O 3.25Å; M425-V477 HydrophobicContact CG-CB 4.46Å; M425-V477 HydrophobicContact CG-CG2 4.1Å; M425-V477 HydrophobicContact SD-CG2 3.89Å; M425-F482 HydrophobicContact SD-CD2 4.37Å; M425-F482 HydrophobicContact SD-CE2 4.09Å
426	K	96.4	Very high	93.7	Very high	32 Å²	32	43.7 Å²	43.7	14%	0.139	23%	0.228	C	C	.	.			trans	-123.7	157.6	164.5	-58.2	-175.8	-176	152	0	108.9	P428 K434 I435 E637 Y641	K426-P428 WeakPolarHBondContact O-CD 3.34Å; K426-K434 WeakPolarHBondContact CG-O 3.41Å; K426-I435 HydrophobicContact CD-CG1 4.38Å; K426-I435 HydrophobicContact CG-CG1 4.01Å; K426-E637 WeakPolarHBondContact CD-OE1 3.49Å; K426-E637 IonicContact NZ-OE1 2.68Å; K426-E637 PolarHBondContact NZ-OE1 3.17Å; K426-E637 IonicContact NZ-OE2 2.77Å; K426-E637 PolarHBondContact NZ-OE2 2.97Å; K426-Y641 WeakPolarHBondContact CD-OH 3.24Å; K426-Y641 WeakPolarHBondContact CE-OH 3.32Å; K426-Y641 HydrophobicContact CG-CE1 4.11Å; K426-Y641 PolarHBondContact NZ-OH 3.36Å
427	D	96.2	Very high	94	Very high	7 Å²	7	41 Å²	41	4%	0.037	21%	0.21	C	C	.	.			trans	-81.8	115.6	171	-178.5	-7.7	0	0	0	109.9	L429 A430 Y436 V477 N479 G480	D427-L429 PolarHBondContact O-N 2.91Å; D427-L429 PolarHBondContact OD1-N 2.77Å; D427-A430 HydrophobicContact CB-CB 3.67Å; D427-A430 PolarHBondContact O-N 2.78Å; D427-A430 VanDerWaalsContact O-N 3.15Å; D427-A430 PolarHBondContact OD1-N 2.88Å; D427-Y436 HydrophobicContact CB-CE2 4.44Å; D427-V477 WeakPolarHBondContact CA-O 3.23Å; D427-V477 HydrophobicContact CB-CB 4.44Å; D427-V477 HydrophobicContact CB-CG1 3.9Å; D427-N479 VanDerWaalsContact CG-N 3.34Å; D427-N479 PolarHBondContact OD1-N 2.77Å; D427-N479 PolarHBondContact OD2-N 3.36Å; D427-N479 VanDerWaalsContact OD2-N 3.11Å; D427-G480 PolarHBondContact OD2-N 2.68Å
428	P	94.2	Very high	94.3	Very high	10 Å²	10	38.3 Å²	38.3	7%	0.065	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-19.5	-179.2	25	-31.5	0	0	0	113	K426 Y478 V531 P635 K636	K426-P428 WeakPolarHBondContact O-CD 3.34Å; P428-Y478 HydrophobicContact CG-CD2 3.95Å; P428-Y478 HydrophobicContact CG-CE2 4.23Å; P428-V531 HydrophobicContact CG-CG1 3.71Å; P428-P635 HydrophobicContact CB-CG 3.97Å; P428-P635 HydrophobicContact CG-CG 4.24Å; P428-K636 HydrophobicContact CB-CB 3.68Å; P428-K636 WeakPolarHBondContact O-CB 3.05Å; P428-K636 WeakPolarHBondContact O-CD 3.35Å; P428-K636 WeakPolarHBondContact O-CG 3.37Å
429	L	92.3	Very high	94.4	Very high	32 Å²	32	38.7 Å²	38.7	17%	0.168	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-8.4	176.6	-62.5	178.9	0	0	0	113.3	D427 Y478 N479	D427-L429 PolarHBondContact O-N 2.91Å; D427-L429 PolarHBondContact OD1-N 2.77Å; L429-Y478 HydrophobicContact CD1-CD2 4.11Å; L429-Y478 HydrophobicContact CD1-CE1 4.21Å; L429-Y478 HydrophobicContact CD1-CE2 3.53Å; L429-Y478 HydrophobicContact CG-CD2 4.35Å; L429-Y478 HydrophobicContact CG-CE2 3.88Å; L429-N479 HydrophobicContact CD1-CB 3.97Å
430	A	91.8	Very high	94.5	Very high	19 Å²	19	35.3 Å²	35.3	16%	0.157	18%	0.178	C	C	.	.			trans	-74.3	139.9	175.9	0	0	0	0	0	112	D427 K636	D427-A430 HydrophobicContact CB-CB 3.67Å; D427-A430 PolarHBondContact O-N 2.78Å; D427-A430 VanDerWaalsContact O-N 3.15Å; D427-A430 PolarHBondContact OD1-N 2.88Å; A430-K636 WeakPolarHBondContact O-CE 3.39Å; A430-K636 PolarHBondContact O-NZ 3.12Å
431	K	87.8	Confident	94.4	Very high	201 Å²	201	33.7 Å²	33.7	87%	0.874	17%	0.166	S	C	*	.	S	Bend	trans	-83.5	-13.9	174.7	-65.5	-174	179.5	-177.5	0	113.7
432	D	89.8	Confident	94.4	Very high	66 Å²	66	36.4 Å²	36.4	35%	0.353	18%	0.175	S	C	.	.	S	Bend	trans	-90.9	174.4	173.1	57.5	40.5	0	0	0	111.8	K434 K636	D432-K434 WeakPolarHBondContact OD1-CB 3.04Å; D432-K434 WeakPolarHBondContact OD1-CG 3.41Å; D432-K434 PolarHBondContact OD1-N 3.23Å; D432-K434 IonicContact OD1-NZ 2.63Å; D432-K434 WeakPolarHBondContact OD2-CE 3.43Å; D432-K434 IonicContact OD2-NZ 2.71Å; D432-K434 PolarHBondContact OD2-NZ 2.85Å; D432-K636 PolarHBondContact O-NZ 2.81Å
433	S	92.1	Very high	94.4	Very high	71 Å²	71	37.1 Å²	37.1	50%	0.497	18%	0.182	S	C	.	.			trans	-101.9	28.4	-178.5	-50.1	0	0	0	0	111.9	N451	S433-N451 WeakPolarHBondContact O-CA 3.02Å
434	K	95.7	Very high	94.5	Very high	54 Å²	54	38.7 Å²	38.7	24%	0.235	19%	0.191	C	C	.	.			trans	-62.7	139.9	-179.2	-77.2	177.8	-173.9	127.1	0	111.4	K426 D432 Y436 E448 F449	K426-K434 WeakPolarHBondContact CG-O 3.41Å; D432-K434 WeakPolarHBondContact OD1-CB 3.04Å; D432-K434 WeakPolarHBondContact OD1-CG 3.41Å; D432-K434 PolarHBondContact OD1-N 3.23Å; D432-K434 IonicContact OD1-NZ 2.63Å; D432-K434 WeakPolarHBondContact OD2-CE 3.43Å; D432-K434 IonicContact OD2-NZ 2.71Å; D432-K434 PolarHBondContact OD2-NZ 2.85Å; K434-Y436 HydrophobicContact CB-CE2 3.95Å; K434-Y436 HydrophobicContact CD-CE1 4.48Å; K434-Y436 VanDerWaalsContact CD-OH 3.3Å; K434-Y436 WeakPolarHBondContact CD-OH 3.49Å; K434-E448 HydrophobicContact CD-CG 4.06Å; K434-E448 WeakPolarHBondContact CE-OE1 3.46Å; K434-E448 HydrophobicContact CG-CG 4.37Å; K434-F449 VanDerWaalsContact CA-O 3.31Å; K434-F449 WeakPolarHBondContact CA-O 3.49Å
435	I	96.8	Very high	94.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	133.7	171.7	-62.2	167.5	0	0	0	107.2	W424 M425 K426 V437 F449 L452 F455	W424-I435 HydrophobicContact CE3-CG2 3.79Å; W424-I435 HydrophobicContact CZ3-CD1 4.41Å; W424-I435 HydrophobicContact CZ3-CG2 4.33Å; M425-I435 WeakPolarHBondContact O-CA 3.25Å; K426-I435 HydrophobicContact CD-CG1 4.38Å; K426-I435 HydrophobicContact CG-CG1 4.01Å; I435-V437 HydrophobicContact CG2-CG2 4.2Å; I435-F449 HydrophobicContact CB-CB 4.39Å; I435-F449 PolarHBondContact N-O 2.69Å; I435-F449 PolarHBondContact O-N 2.83Å; I435-L452 HydrophobicContact CD1-CB 4.14Å; I435-L452 HydrophobicContact CD1-CD1 3.77Å; I435-F455 HydrophobicContact CD1-CB 3.95Å; I435-F455 HydrophobicContact CD1-CD1 4.15Å; I435-F455 HydrophobicContact CD1-CG 4.23Å; I435-F455 HydrophobicContact CG2-CG 4.5Å
436	Y	97.6	Very high	94.5	Very high	11 Å²	11	41.5 Å²	41.5	4%	0.043	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	140.8	176.8	-56.4	-86.5	0	0	0	109.4	W424 M425 D427 K434 L446 V447 E448 F464 V477 L497	W424-Y436 VanDerWaalsContact CA-O 3.32Å; W424-Y436 WeakPolarHBondContact CA-O 3.45Å; M425-Y436 PolarHBondContact N-O 3.15Å; M425-Y436 PolarHBondContact O-N 2.91Å; D427-Y436 HydrophobicContact CB-CE2 4.44Å; K434-Y436 HydrophobicContact CB-CE2 3.95Å; K434-Y436 HydrophobicContact CD-CE1 4.48Å; K434-Y436 VanDerWaalsContact CD-OH 3.3Å; K434-Y436 WeakPolarHBondContact CD-OH 3.49Å; Y436-L446 HydrophobicContact CD1-CD2 4.33Å; Y436-V447 CarbonylContact C-O 3.53Å; Y436-V447 WeakPolarHBondContact CA-O 3.37Å; Y436-E448 HydrophobicContact CD1-CB 4.18Å; Y436-E448 HydrophobicContact CD1-CG 4.19Å; Y436-E448 HydrophobicContact CE1-CB 4.23Å; Y436-E448 HydrophobicContact CE1-CG 3.83Å; Y436-F464 HydrophobicContact CE1-CE2 4.18Å; Y436-V477 HydrophobicContact CD1-CG2 4.32Å; Y436-V477 HydrophobicContact CD2-CB 3.95Å; Y436-V477 HydrophobicContact CD2-CG1 4.07Å; Y436-V477 HydrophobicContact CD2-CG2 3.74Å; Y436-V477 HydrophobicContact CE2-CB 4.23Å; Y436-V477 HydrophobicContact CE2-CG1 3.83Å; Y436-V477 HydrophobicContact CE2-CG2 4.31Å; Y436-V477 HydrophobicContact CG-CB 4.45Å; Y436-V477 HydrophobicContact CG-CG2 3.73Å; Y436-L497 HydrophobicContact CD1-CD1 4.4Å; Y436-L497 HydrophobicContact CE1-CD1 3.86Å
437	V	97.6	Very high	94.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	126.6	-173.6	173.8	0	0	0	0	110.9	Y417 A423 W424 I435 V447 F449 F455 W643	Y417-V437 HydrophobicContact CD1-CG1 3.99Å; Y417-V437 HydrophobicContact CE1-CG1 3.93Å; A423-V437 WeakPolarHBondContact O-CA 3.38Å; W424-V437 HydrophobicContact CB-CG2 3.98Å; I435-V437 HydrophobicContact CG2-CG2 4.2Å; V437-V447 HydrophobicContact CB-CB 4.41Å; V437-V447 PolarHBondContact N-O 2.99Å; V437-V447 PolarHBondContact O-N 2.94Å; V437-F449 HydrophobicContact CB-CE2 4.06Å; V437-F449 HydrophobicContact CG2-CD2 4Å; V437-F449 HydrophobicContact CG2-CE2 3.7Å; V437-F455 HydrophobicContact CG2-CD2 4.35Å; V437-F455 HydrophobicContact CG2-CE2 3.86Å; V437-W643 HydrophobicContact CG1-CH2 4.02Å; V437-W643 HydrophobicContact CG1-CZ3 3.84Å
438	T	96.6	Very high	94.6	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	104.1	165.9	45.1	0	0	0	0	109.4	G422 A423 L446 W470 F482	G422-T438 CarbonylContact C-O 3.57Å; G422-T438 WeakPolarHBondContact CA-O 3.44Å; A423-T438 PolarHBondContact N-O 2.8Å; A423-T438 PolarHBondContact O-N 2.86Å; A423-T438 PolarHBondContact O-OG1 2.76Å; T438-L446 HydrophobicContact CG2-CD1 3.46Å; T438-L446 VanDerWaalsContact CG2-CD1 3.46Å; T438-W470 HydrophobicContact CG2-CD2 4.49Å; T438-W470 HydrophobicContact CG2-CE3 4.33Å; T438-W470 HydrophobicContact CG2-CH2 3.42Å; T438-W470 VanDerWaalsContact CG2-CH2 3.42Å; T438-W470 HydrophobicContact CG2-CZ2 3.63Å; T438-W470 HydrophobicContact CG2-CZ3 3.81Å; T438-F482 HydrophobicContact CG2-CE2 4.07Å; T438-F482 HydrophobicContact CG2-CZ 3.68Å
439	N	94.2	Very high	94.7	Very high	56 Å²	56	40.9 Å²	40.9	30%	0.299	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	126.8	174.8	-179	11.9	0	0	0	109.7	G418 R419	G418-N439 WeakPolarHBondContact CA-OD1 3.43Å; R419-N439 PolarHBondContact N-OD1 2.96Å
440	Y	94.1	Very high	94.8	Very high	57 Å²	57	48.1 Å²	48.1	22%	0.224	23%	0.229	C	C	.	.	S	Bend	trans	73.1	145.9	-175.6	-150.6	-131.3	0	0	0	116.3	R419 E421 Y442 W470	R419-Y440 HydrophobicContact CB-CD2 4.25Å; R419-Y440 HydrophobicContact CG-CD2 4.44Å; R419-Y440 VanDerWaalsContact NH1-CE2 3.26Å; E421-Y440 HydrophobicContact CB-CD2 4.4Å; E421-Y440 VanDerWaalsContact O-CA 3.23Å; E421-Y440 WeakPolarHBondContact O-CA 3.41Å; E421-Y440 PolarHBondContact O-N 3.28Å; E421-Y440 WeakPolarHBondContact OE2-CD2 3.38Å; E421-Y440 VanDerWaalsContact OE2-CE2 3.23Å; E421-Y440 WeakPolarHBondContact OE2-CE2 3.44Å; Y440-Y442 WeakPolarHBondContact CD1-O 3.25Å; Y440-Y442 PolarHBondContact O-N 3.46Å; Y440-W470 PolarHBondContact O-NE1 3.01Å
441	Y	91.9	Very high	94.9	Very high	49 Å²	49	49.3 Å²	49.3	19%	0.192	23%	0.233	C	C	.	.	S	Bend	trans	-66.9	-2.3	177.9	70	-100.4	0	0	0	114.4	E421 I471 G472 W521	E421-Y441 HydrophobicContact CB-CD1 4.1Å; E421-Y441 HydrophobicContact CG-CD1 3.97Å; Y441-I471 CarbonylContact O-C 3.56Å; Y441-I471 VanDerWaalsContact O-CA 3.3Å; Y441-I471 WeakPolarHBondContact O-CA 3.41Å; Y441-G472 CarbonylContact C-O 3.6Å; Y441-G472 VanDerWaalsContact CA-O 3.25Å; Y441-G472 WeakPolarHBondContact CA-O 3.3Å; Y441-G472 PolarHBondContact O-N 3.32Å; Y441-G472 VanDerWaalsContact O-O 3.12Å; Y441-W521 HydrophobicContact CD1-CB 4.37Å; Y441-W521 HydrophobicContact CD1-CD2 4.03Å; Y441-W521 AromaticContact CD1-CE3 3.77Å; Y441-W521 HydrophobicContact CD1-CE3 3.77Å; Y441-W521 HydrophobicContact CD1-CG 4.3Å; Y441-W521 HydrophobicContact CD1-CZ3 4.46Å; Y441-W521 HydrophobicContact CD2-CB 3.64Å; Y441-W521 HydrophobicContact CD2-CD2 4.43Å; Y441-W521 AromaticContact CD2-CG 3.9Å; Y441-W521 HydrophobicContact CD2-CG 3.9Å; Y441-W521 HydrophobicContact CE1-CB 4.47Å; Y441-W521 HydrophobicContact CE1-CE3 4.29Å; Y441-W521 HydrophobicContact CE2-CB 3.8Å; Y441-W521 HydrophobicContact CG-CB 3.98Å; Y441-W521 AromaticContact CG-CD2 3.87Å; Y441-W521 HydrophobicContact CG-CD2 3.87Å; Y441-W521 HydrophobicContact CG-CE3 4.11Å; Y441-W521 AromaticContact CG-CG 3.81Å; Y441-W521 HydrophobicContact CG-CG 3.81Å
442	Y	94.1	Very high	95.2	Very high	88 Å²	88	42.4 Å²	42.4	35%	0.345	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	115.2	177.6	177.9	-102.1	0	0	0	110.4	Y440 N469 W470 A487 F488	Y440-Y442 WeakPolarHBondContact CD1-O 3.25Å; Y440-Y442 PolarHBondContact O-N 3.46Å; Y442-N469 HydrophobicContact CD2-CB 4.5Å; Y442-N469 HydrophobicContact CE2-CB 3.8Å; Y442-N469 PolarHBondContact OH-ND2 3.48Å; Y442-W470 WeakPolarHBondContact CD2-O 3.47Å; Y442-A487 HydrophobicContact CD2-CB 4.15Å; Y442-A487 HydrophobicContact CE2-CB 3.74Å; Y442-F488 HydrophobicContact CD2-CE2 4.47Å; Y442-F488 HydrophobicContact CD2-CZ 4Å; Y442-F488 AromaticContact CE2-CE2 3.56Å; Y442-F488 HydrophobicContact CE2-CE2 3.56Å; Y442-F488 AromaticContact CE2-CZ 3.48Å; Y442-F488 HydrophobicContact CE2-CZ 3.48Å; Y442-F488 VanDerWaalsContact CE2-CZ 3.48Å
443	G	94.7	Very high	95.3	Very high	14 Å²	14	43.9 Å²	43.9	14%	0.144	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174	-173.8	-174.6	0	0	0	0	0	113.6	N469 W470	G443-N469 CarbonylContact O-C 3.54Å; G443-N469 WeakPolarHBondContact O-CA 3.44Å; G443-N469 WeakPolarHBondContact O-CB 3.4Å; G443-W470 VanDerWaalsContact C-CD2 3.49Å; G443-W470 VanDerWaalsContact O-CE3 3.3Å; G443-W470 PolarHBondContact O-N 2.74Å
444	N	96.6	Very high	95.4	Very high	34 Å²	34	42.4 Å²	42.4	18%	0.182	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	23.4	175.5	60.6	11.3	0	0	0	112.8	K465 L466 N469 W470	N444-K465 CarbonylContact O-C 3.59Å; N444-K465 WeakPolarHBondContact O-CA 3.16Å; N444-L466 HydrophobicContact CB-CB 4.29Å; N444-L466 PolarHBondContact O-N 2.04Å; N444-N469 WeakPolarHBondContact CB-OD1 3.4Å; N444-N469 PolarHBondContact ND2-OD1 3.15Å; N444-W470 VanDerWaalsContact CA-CZ3 3.49Å
445	N	97.1	Very high	95.4	Very high	69 Å²	69	39.9 Å²	39.9	37%	0.369	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	85	-169.5	-70.3	-57.3	0	0	0	110.7	L463 W470	N445-L463 HydrophobicContact CB-CD1 3.71Å; N445-W470 VanDerWaalsContact N-CZ3 3.29Å
446	L	97.8	Very high	95.1	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	118.4	177.8	-179.8	75.2	0	0	0	109.6	Y436 T438 F464 F482 L497	Y436-L446 HydrophobicContact CD1-CD2 4.33Å; T438-L446 HydrophobicContact CG2-CD1 3.46Å; T438-L446 VanDerWaalsContact CG2-CD1 3.46Å; L446-F464 HydrophobicContact CB-CB 4.29Å; L446-F464 HydrophobicContact CD2-CD2 4.09Å; L446-F464 HydrophobicContact CG-CD2 4.44Å; L446-F464 PolarHBondContact N-O 3.44Å; L446-F464 PolarHBondContact O-N 3.29Å; L446-F482 HydrophobicContact CD1-CD2 4.01Å; L446-F482 HydrophobicContact CD1-CE2 3.74Å; L446-F482 HydrophobicContact CD1-CZ 4.14Å; L446-F482 HydrophobicContact CD2-CB 3.97Å; L446-F482 HydrophobicContact CD2-CD1 4.25Å; L446-F482 HydrophobicContact CD2-CD2 3.84Å; L446-F482 HydrophobicContact CD2-CE2 4.37Å; L446-F482 HydrophobicContact CD2-CG 3.76Å; L446-L497 HydrophobicContact CD2-CD1 4.5Å; L446-L497 HydrophobicContact CD2-CD2 3.62Å
447	V	97.3	Very high	94.9	Very high	15 Å²	15	48.2 Å²	48.2	9%	0.091	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	131.8	-177.1	-173.7	0	0	0	0	109.9	Y436 V437 F449 W460 L463	Y436-V447 CarbonylContact C-O 3.53Å; Y436-V447 WeakPolarHBondContact CA-O 3.37Å; V437-V447 HydrophobicContact CB-CB 4.41Å; V437-V447 PolarHBondContact N-O 2.99Å; V437-V447 PolarHBondContact O-N 2.94Å; V447-F449 HydrophobicContact CB-CE2 4.15Å; V447-F449 HydrophobicContact CG1-CD2 4.18Å; V447-F449 HydrophobicContact CG1-CE2 3.52Å; V447-F449 HydrophobicContact CG1-CZ 3.82Å; V447-W460 HydrophobicContact CG1-CB 3.33Å; V447-W460 HydrophobicContact CG1-CD2 4.47Å; V447-W460 HydrophobicContact CG1-CG 4Å; V447-L463 HydrophobicContact CG2-CD1 4.35Å
448	E	97.3	Very high	94.6	Very high	22 Å²	22	49.5 Å²	49.5	10%	0.103	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	130.5	176.9	-178.6	-166.5	133.3	0	0	110.5	K434 Y436 S461 N462 F464	K434-E448 HydrophobicContact CD-CG 4.06Å; K434-E448 WeakPolarHBondContact CE-OE1 3.46Å; K434-E448 HydrophobicContact CG-CG 4.37Å; Y436-E448 HydrophobicContact CD1-CB 4.18Å; Y436-E448 HydrophobicContact CD1-CG 4.19Å; Y436-E448 HydrophobicContact CE1-CB 4.23Å; Y436-E448 HydrophobicContact CE1-CG 3.83Å; E448-S461 PolarHBondContact O-N 3.2Å; E448-N462 HydrophobicContact CB-CB 4.1Å; E448-N462 PolarHBondContact N-O 3.26Å; E448-N462 PolarHBondContact O-N 3Å; E448-N462 PolarHBondContact OE2-ND2 2.84Å; E448-F464 HydrophobicContact CB-CE2 4.04Å; E448-F464 VanDerWaalsContact OE2-CE2 3.24Å; E448-F464 WeakPolarHBondContact OE2-CE2 3.49Å; E448-F464 VanDerWaalsContact OE2-CZ 3.22Å; E448-F464 WeakPolarHBondContact OE2-CZ 3.08Å
449	F	96.4	Very high	94.4	Very high	0 Å²	0	57 Å²	57	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	132.1	170.6	-60.8	-98.2	0	0	0	109.6	Y417 K434 I435 V437 V447 N451 F455 W460	Y417-F449 HydrophobicContact CD2-CZ 4.5Å; Y417-F449 HydrophobicContact CE1-CZ 4.23Å; Y417-F449 HydrophobicContact CE2-CZ 4Å; Y417-F449 AromaticContact CZ-CZ 3.86Å; K434-F449 VanDerWaalsContact CA-O 3.31Å; K434-F449 WeakPolarHBondContact CA-O 3.49Å; I435-F449 HydrophobicContact CB-CB 4.39Å; I435-F449 PolarHBondContact N-O 2.69Å; I435-F449 PolarHBondContact O-N 2.83Å; V437-F449 HydrophobicContact CB-CE2 4.06Å; V437-F449 HydrophobicContact CG2-CD2 4Å; V437-F449 HydrophobicContact CG2-CE2 3.7Å; V447-F449 HydrophobicContact CB-CE2 4.15Å; V447-F449 HydrophobicContact CG1-CD2 4.18Å; V447-F449 HydrophobicContact CG1-CE2 3.52Å; V447-F449 HydrophobicContact CG1-CZ 3.82Å; F449-N451 VanDerWaalsContact C-N 3.31Å; F449-N451 PolarHBondContact O-N 2.87Å; F449-F455 HydrophobicContact CB-CB 4.08Å; F449-F455 HydrophobicContact CD1-CB 4.12Å; F449-F455 HydrophobicContact CD1-CD2 4.07Å; F449-F455 AromaticContact CD2-CD2 3.8Å; F449-F455 HydrophobicContact CD2-CD2 3.8Å; F449-F455 HydrophobicContact CE1-CD2 4.03Å; F449-F455 AromaticContact CE2-CD2 3.77Å; F449-F455 HydrophobicContact CE2-CD2 3.77Å; F449-F455 HydrophobicContact CE2-CE2 4.2Å; F449-F455 HydrophobicContact CG-CB 4.06Å; F449-F455 AromaticContact CG-CD2 3.95Å; F449-F455 HydrophobicContact CG-CD2 3.95Å; F449-F455 HydrophobicContact CG-CG 4.48Å; F449-F455 AromaticContact CZ-CD2 3.88Å; F449-F455 HydrophobicContact CZ-CD2 3.88Å; F449-F455 HydrophobicContact CZ-CE2 4.35Å; F449-W460 HydrophobicContact CD1-CB 4.14Å; F449-W460 HydrophobicContact CE1-CB 3.79Å; F449-W460 HydrophobicContact CZ-CB 4Å
450	R	94.4	Very high	94.3	Very high	183 Å²	183	61.2 Å²	61.2	69%	0.691	28%	0.28	S	S	*	.	S	Bend	trans	-62.7	-30.8	-175.6	-176.8	174.3	179.4	166.7	-0	115.1	S461	R450-S461 WeakPolarHBondContact CB-OG 3.32Å; R450-S461 PolarHBondContact N-OG 3.15Å
451	N	93.8	Very high	94.3	Very high	45 Å²	45	61.3 Å²	61.3	24%	0.241	29%	0.289	C	S	.	.	S	Bend	trans	-162.3	172	-178.7	64.2	-22.4	0	0	0	110.7	S433 F449 D453 N454 F455	S433-N451 WeakPolarHBondContact O-CA 3.02Å; F449-N451 VanDerWaalsContact C-N 3.31Å; F449-N451 PolarHBondContact O-N 2.87Å; N451-D453 VanDerWaalsContact C-N 3.31Å; N451-D453 PolarHBondContact ND2-OD2 2.64Å; N451-D453 PolarHBondContact O-N 2.85Å; N451-N454 PolarHBondContact O-N 2.6Å; N451-N454 WeakPolarHBondContact OD1-CB 3.32Å; N451-N454 PolarHBondContact OD1-N 3.42Å; N451-N454 VanDerWaalsContact OD1-N 3.13Å; N451-N454 PolarHBondContact OD1-ND2 2.85Å; N451-F455 PolarHBondContact O-N 2.79Å
452	L	92.9	Very high	94.5	Very high	56 Å²	56	60.6 Å²	60.6	29%	0.293	29%	0.289	S	S	.	.	H	α-helix	trans	-59.6	-37.2	178	-171.5	63.6	0	0	0	112.8	Q414 I435 F455 K456	Q414-L452 HydrophobicContact CB-CD1 4.48Å; I435-L452 HydrophobicContact CD1-CB 4.14Å; I435-L452 HydrophobicContact CD1-CD1 3.77Å; L452-F455 HydrophobicContact CD1-CD1 4.19Å; L452-F455 WeakPolarHBondContact O-CB 3.36Å; L452-F455 PolarHBondContact O-N 2.9Å; L452-K456 HydrophobicContact CD1-CG 4.48Å; L452-K456 HydrophobicContact CG-CD 4.44Å; L452-K456 HydrophobicContact CG-CG 4.49Å; L452-K456 WeakPolarHBondContact O-CG 3.34Å; L452-K456 PolarHBondContact O-N 2.89Å
453	D	93.4	Very high	94.6	Very high	97 Å²	97	59.4 Å²	59.4	52%	0.519	29%	0.288	S	S	.	.	H	α-helix	trans	-65.6	-42.4	179.6	-47.8	-69	0	0	0	112.4	N451 F455 K456 Q457	N451-D453 VanDerWaalsContact C-N 3.31Å; N451-D453 PolarHBondContact ND2-OD2 2.64Å; N451-D453 PolarHBondContact O-N 2.85Å; D453-F455 VanDerWaalsContact C-N 3.32Å; D453-K456 PolarHBondContact O-N 2.94Å; D453-Q457 WeakPolarHBondContact O-CB 3.43Å; D453-Q457 VanDerWaalsContact O-CG 3.23Å; D453-Q457 WeakPolarHBondContact O-CG 3.37Å; D453-Q457 PolarHBondContact O-N 2.86Å; D453-Q457 VanDerWaalsContact O-N 3.09Å; D453-Q457 PolarHBondContact O-NE2 3.45Å
454	N	93.5	Very high	94.7	Very high	40 Å²	40	59 Å²	59	21%	0.214	28%	0.282	C	S	.	.	H	α-helix	trans	-68	-34.7	174.5	-80	-7.7	0	0	0	111.4	N451 Q457 G458 R459	N451-N454 PolarHBondContact O-N 2.6Å; N451-N454 WeakPolarHBondContact OD1-CB 3.32Å; N451-N454 PolarHBondContact OD1-N 3.42Å; N451-N454 VanDerWaalsContact OD1-N 3.13Å; N451-N454 PolarHBondContact OD1-ND2 2.85Å; N454-Q457 CarbonylContact O-C 3.58Å; N454-Q457 PolarHBondContact O-N 3.06Å; N454-G458 PolarHBondContact O-N 2.99Å; N454-G458 VanDerWaalsContact O-N 3.16Å; N454-R459 HydrophobicContact CB-CB 4.25Å; N454-R459 PolarHBondContact O-N 3.16Å
455	F	94.5	Very high	94.7	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-62.4	-51.9	172.9	178.6	-121.6	0	0	0	111.4	H415 Y417 W424 I435 V437 F449 N451 L452 D453 Q457 G458 Q648	H415-F455 HydrophobicContact CB-CD1 4.05Å; H415-F455 HydrophobicContact CB-CE1 3.43Å; H415-F455 VanDerWaalsContact CB-CE1 3.43Å; H415-F455 HydrophobicContact CB-CZ 3.75Å; H415-F455 AromaticContact CD2-CE2 3.92Å; H415-F455 AromaticContact CD2-CZ 3.86Å; H415-F455 PolarHBondContact CD2-O 3.19Å; H415-F455 PolarHBondContact NE2-O 3.32Å; H415-F455 VanDerWaalsContact NE2-O 3.15Å; Y417-F455 HydrophobicContact CG-CE2 4.35Å; W424-F455 AromaticContact CE3-CE1 3.92Å; W424-F455 HydrophobicContact CE3-CE1 3.92Å; W424-F455 HydrophobicContact CE3-CZ 4.35Å; W424-F455 HydrophobicContact CZ3-CD1 4.45Å; W424-F455 HydrophobicContact CZ3-CE1 4.09Å; I435-F455 HydrophobicContact CD1-CB 3.95Å; I435-F455 HydrophobicContact CD1-CD1 4.15Å; I435-F455 HydrophobicContact CD1-CG 4.23Å; I435-F455 HydrophobicContact CG2-CG 4.5Å; V437-F455 HydrophobicContact CG2-CD2 4.35Å; V437-F455 HydrophobicContact CG2-CE2 3.86Å; F449-F455 HydrophobicContact CB-CB 4.08Å; F449-F455 HydrophobicContact CD1-CB 4.12Å; F449-F455 HydrophobicContact CD1-CD2 4.07Å; F449-F455 AromaticContact CD2-CD2 3.8Å; F449-F455 HydrophobicContact CD2-CD2 3.8Å; F449-F455 HydrophobicContact CE1-CD2 4.03Å; F449-F455 AromaticContact CE2-CD2 3.77Å; F449-F455 HydrophobicContact CE2-CD2 3.77Å; F449-F455 HydrophobicContact CE2-CE2 4.2Å; F449-F455 HydrophobicContact CG-CB 4.06Å; F449-F455 AromaticContact CG-CD2 3.95Å; F449-F455 HydrophobicContact CG-CD2 3.95Å; F449-F455 HydrophobicContact CG-CG 4.48Å; F449-F455 AromaticContact CZ-CD2 3.88Å; F449-F455 HydrophobicContact CZ-CD2 3.88Å; F449-F455 HydrophobicContact CZ-CE2 4.35Å; N451-F455 PolarHBondContact O-N 2.79Å; L452-F455 HydrophobicContact CD1-CD1 4.19Å; L452-F455 WeakPolarHBondContact O-CB 3.36Å; L452-F455 PolarHBondContact O-N 2.9Å; D453-F455 VanDerWaalsContact C-N 3.32Å; F455-Q457 PolarHBondContact O-N 3.22Å; F455-Q457 VanDerWaalsContact O-N 3.1Å; F455-G458 PolarHBondContact O-N 3.02Å; F455-Q648 HydrophobicContact CE1-CB 4.01Å; F455-Q648 HydrophobicContact CE1-CG 4.31Å; F455-Q648 HydrophobicContact CZ-CB 3.94Å; F455-Q648 HydrophobicContact CZ-CG 3.73Å
456	K	92.4	Very high	94.7	Very high	86 Å²	86	61.5 Å²	61.5	37%	0.374	29%	0.288	S	S	.	.	H	α-helix	trans	-62.1	-18.1	175.9	-64.3	-168.9	-174.9	-164.7	0	113.7	Q414 H415 L452 D453	Q414-K456 WeakPolarHBondContact O-CD 3.04Å; Q414-K456 WeakPolarHBondContact O-CE 3.41Å; Q414-K456 WeakPolarHBondContact O-CG 3.43Å; H415-K456 PolarHBondContact CE1-O 3.39Å; L452-K456 HydrophobicContact CD1-CG 4.48Å; L452-K456 HydrophobicContact CG-CD 4.44Å; L452-K456 HydrophobicContact CG-CG 4.49Å; L452-K456 WeakPolarHBondContact O-CG 3.34Å; L452-K456 PolarHBondContact O-N 2.89Å; D453-K456 PolarHBondContact O-N 2.94Å
457	Q	92.3	Very high	94.6	Very high	100 Å²	100	65.2 Å²	65.2	47%	0.467	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-1.5	172.2	-71.6	168.7	60.3	0	0	114.5	D453 N454 F455 R459	D453-Q457 WeakPolarHBondContact O-CB 3.43Å; D453-Q457 VanDerWaalsContact O-CG 3.23Å; D453-Q457 WeakPolarHBondContact O-CG 3.37Å; D453-Q457 PolarHBondContact O-N 2.86Å; D453-Q457 VanDerWaalsContact O-N 3.09Å; D453-Q457 PolarHBondContact O-NE2 3.45Å; N454-Q457 CarbonylContact O-C 3.58Å; N454-Q457 PolarHBondContact O-N 3.06Å; F455-Q457 PolarHBondContact O-N 3.22Å; F455-Q457 VanDerWaalsContact O-N 3.1Å; Q457-R459 HydrophobicContact CB-CB 4.38Å; Q457-R459 HydrophobicContact CB-CG 4.02Å; Q457-R459 PolarHBondContact O-N 3.3Å
458	G	90.4	Very high	94.6	Very high	28 Å²	28	69.3 Å²	69.3	29%	0.289	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.6	13.6	-173.4	0	0	0	0	0	115	N454 F455 W460	N454-G458 PolarHBondContact O-N 2.99Å; N454-G458 VanDerWaalsContact O-N 3.16Å; F455-G458 PolarHBondContact O-N 3.02Å; G458-W460 PolarHBondContact O-N 2.84Å
459	R	92.7	Very high	94.5	Very high	157 Å²	157	70.7 Å²	70.7	59%	0.592	34%	0.335	S	S	*	.			trans	-90.4	76.4	-173.6	-72.6	178	173.1	174.8	-8.9	111.9	N454 Q457	N454-R459 HydrophobicContact CB-CB 4.25Å; N454-R459 PolarHBondContact O-N 3.16Å; Q457-R459 HydrophobicContact CB-CB 4.38Å; Q457-R459 HydrophobicContact CB-CG 4.02Å; Q457-R459 PolarHBondContact O-N 3.3Å
460	W	92.9	Very high	94.5	Very high	145 Å²	145	70.8 Å²	70.8	55%	0.549	34%	0.335	S	S	.	.			trans	-59.4	147.2	172.8	63.1	-77.3	0	0	0	111.9	V447 F449 G458 L463	V447-W460 HydrophobicContact CG1-CB 3.33Å; V447-W460 HydrophobicContact CG1-CD2 4.47Å; V447-W460 HydrophobicContact CG1-CG 4Å; F449-W460 HydrophobicContact CD1-CB 4.14Å; F449-W460 HydrophobicContact CE1-CB 3.79Å; F449-W460 HydrophobicContact CZ-CB 4Å; G458-W460 PolarHBondContact O-N 2.84Å; W460-L463 HydrophobicContact CE3-CB 3.99Å; W460-L463 HydrophobicContact CH2-CB 4.18Å; W460-L463 HydrophobicContact CH2-CD2 4.44Å; W460-L463 HydrophobicContact CZ3-CB 3.42Å; W460-L463 VanDerWaalsContact CZ3-CB 3.42Å; W460-L463 HydrophobicContact CZ3-CD2 4.47Å
461	S	94.7	Very high	94.4	Very high	60 Å²	60	63.4 Å²	63.4	42%	0.42	31%	0.309	S	S	.	.			trans	-109.4	-28.1	-171.3	-56.3	0	0	0	0	112.6	E448 R450	E448-S461 PolarHBondContact O-N 3.2Å; R450-S461 WeakPolarHBondContact CB-OG 3.32Å; R450-S461 PolarHBondContact N-OG 3.15Å
462	N	95.5	Very high	94.3	Very high	34 Å²	34	61.4 Å²	61.4	18%	0.182	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	158.6	177.9	171.7	41.6	0	0	0	110	E448 F464 R500	E448-N462 HydrophobicContact CB-CB 4.1Å; E448-N462 PolarHBondContact N-O 3.26Å; E448-N462 PolarHBondContact O-N 3Å; E448-N462 PolarHBondContact OE2-ND2 2.84Å; N462-F464 WeakPolarHBondContact ND2-CE1 3.43Å; N462-F464 VanDerWaalsContact ND2-CE2 3.31Å; N462-F464 WeakPolarHBondContact ND2-CE2 3.28Å; N462-F464 WeakPolarHBondContact ND2-CZ 3.19Å; N462-R500 PolarHBondContact ND2-NH2 3.14Å; N462-R500 PolarHBondContact OD1-NH2 3.03Å
463	L	96.5	Very high	94.4	Very high	62 Å²	62	58.8 Å²	58.8	33%	0.325	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	121.9	177.6	165.8	61.2	0	0	0	108.9	N445 V447 W460	N445-L463 HydrophobicContact CB-CD1 3.71Å; V447-L463 HydrophobicContact CG2-CD1 4.35Å; W460-L463 HydrophobicContact CE3-CB 3.99Å; W460-L463 HydrophobicContact CH2-CB 4.18Å; W460-L463 HydrophobicContact CH2-CD2 4.44Å; W460-L463 HydrophobicContact CZ3-CB 3.42Å; W460-L463 VanDerWaalsContact CZ3-CB 3.42Å; W460-L463 HydrophobicContact CZ3-CD2 4.47Å
464	F	97.1	Very high	94.4	Very high	6 Å²	6	54.2 Å²	54.2	3%	0.026	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	111.4	171.7	-53.9	-81.9	0	0	0	109.4	Y436 L446 E448 N462 L466 Y495 L497 R500	Y436-F464 HydrophobicContact CE1-CE2 4.18Å; L446-F464 HydrophobicContact CB-CB 4.29Å; L446-F464 HydrophobicContact CD2-CD2 4.09Å; L446-F464 HydrophobicContact CG-CD2 4.44Å; L446-F464 PolarHBondContact N-O 3.44Å; L446-F464 PolarHBondContact O-N 3.29Å; E448-F464 HydrophobicContact CB-CE2 4.04Å; E448-F464 VanDerWaalsContact OE2-CE2 3.24Å; E448-F464 WeakPolarHBondContact OE2-CE2 3.49Å; E448-F464 VanDerWaalsContact OE2-CZ 3.22Å; E448-F464 WeakPolarHBondContact OE2-CZ 3.08Å; N462-F464 WeakPolarHBondContact ND2-CE1 3.43Å; N462-F464 VanDerWaalsContact ND2-CE2 3.31Å; N462-F464 WeakPolarHBondContact ND2-CE2 3.28Å; N462-F464 WeakPolarHBondContact ND2-CZ 3.19Å; F464-L466 HydrophobicContact CB-CD2 4.4Å; F464-Y495 HydrophobicContact CB-CE1 4.35Å; F464-L497 HydrophobicContact CB-CD2 4.43Å; F464-L497 HydrophobicContact CD1-CD2 4.13Å; F464-L497 HydrophobicContact CD2-CD2 3.79Å; F464-L497 HydrophobicContact CE1-CB 4.03Å; F464-L497 HydrophobicContact CE1-CD2 4.27Å; F464-L497 WeakPolarHBondContact CE1-O 3.3Å; F464-L497 HydrophobicContact CE2-CB 4.42Å; F464-L497 HydrophobicContact CE2-CD2 3.91Å; F464-L497 HydrophobicContact CG-CD2 3.86Å; F464-L497 HydrophobicContact CZ-CB 3.89Å; F464-L497 HydrophobicContact CZ-CD2 4.13Å; F464-L497 HydrophobicContact CZ-CG 4.49Å; F464-R500 HydrophobicContact CD1-CG 4.36Å
465	K	96.4	Very high	94.5	Very high	150 Å²	150	52.4 Å²	52.4	65%	0.652	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.5	113.5	169.7	-173	176.3	-178.8	179	0	109.3	N444	N444-K465 CarbonylContact O-C 3.59Å; N444-K465 WeakPolarHBondContact O-CA 3.16Å
466	L	97.1	Very high	94.6	Very high	5 Å²	5	52.8 Å²	52.8	3%	0.026	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	151	-177.3	-52.3	-175.6	0	0	0	111.1	N444 F464 Y468 W470 F482 Y484 Y495	N444-L466 HydrophobicContact CB-CB 4.29Å; N444-L466 PolarHBondContact O-N 2.04Å; F464-L466 HydrophobicContact CB-CD2 4.4Å; L466-Y468 VanDerWaalsContact C-N 3.3Å; L466-Y468 PolarHBondContact O-N 2.86Å; L466-W470 HydrophobicContact CD1-CE3 3.74Å; L466-W470 HydrophobicContact CD1-CZ3 3.72Å; L466-W470 HydrophobicContact CG-CZ3 4.48Å; L466-F482 HydrophobicContact CD1-CD1 3.73Å; L466-F482 HydrophobicContact CD1-CE1 3.5Å; L466-F482 VanDerWaalsContact CD1-CE1 3.5Å; L466-Y484 HydrophobicContact CD1-CD1 4.28Å; L466-Y484 HydrophobicContact CD1-CE1 3.86Å; L466-Y484 HydrophobicContact CD1-CE2 4.35Å; L466-Y495 HydrophobicContact CD2-CD1 3.49Å; L466-Y495 VanDerWaalsContact CD2-CD1 3.49Å; L466-Y495 HydrophobicContact CD2-CD2 4.13Å; L466-Y495 HydrophobicContact CD2-CE1 3.49Å; L466-Y495 VanDerWaalsContact CD2-CE1 3.49Å; L466-Y495 HydrophobicContact CD2-CE2 4.14Å; L466-Y495 HydrophobicContact CD2-CG 3.82Å
467	P	95.4	Very high	94.9	Very high	79 Å²	79	48.8 Å²	48.8	51%	0.513	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	-19.2	-179.9	29.5	-34.3	0	0	0	113.5	Y495 V502	P467-Y495 HydrophobicContact CG-CE2 4.5Å; P467-V502 HydrophobicContact CG-CG2 3.73Å
468	Y	96.4	Very high	95.1	Very high	100 Å²	100	44.4 Å²	44.4	39%	0.392	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	152.8	176.6	-55.3	-65.3	0	0	0	109.8	L466 I493 V502	L466-Y468 VanDerWaalsContact C-N 3.3Å; L466-Y468 PolarHBondContact O-N 2.86Å; Y468-I493 HydrophobicContact CD2-CD1 3.52Å; Y468-I493 HydrophobicContact CE2-CD1 4.18Å; Y468-I493 HydrophobicContact CG-CD1 4.24Å; Y468-V502 HydrophobicContact CD2-CG2 4.36Å; Y468-V502 HydrophobicContact CE2-CG2 4.26Å
469	N	96.1	Very high	95.3	Very high	51 Å²	51	47 Å²	47	27%	0.273	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	147.3	174.2	-55.1	-18.9	0	0	0	110.1	Y442 G443 N444 A487	Y442-N469 HydrophobicContact CD2-CB 4.5Å; Y442-N469 HydrophobicContact CE2-CB 3.8Å; Y442-N469 PolarHBondContact OH-ND2 3.48Å; G443-N469 CarbonylContact O-C 3.54Å; G443-N469 WeakPolarHBondContact O-CA 3.44Å; G443-N469 WeakPolarHBondContact O-CB 3.4Å; N444-N469 WeakPolarHBondContact CB-OD1 3.4Å; N444-N469 PolarHBondContact ND2-OD1 3.15Å; N469-A487 HydrophobicContact CB-CB 4.19Å; N469-A487 WeakPolarHBondContact O-CB 3.28Å; N469-A487 PolarHBondContact O-N 2.95Å
470	W	95.3	Very high	95.4	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.008	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	162.2	167.9	62.1	79	0	0	0	111.9	T438 Y440 Y442 G443 N444 N445 L466 H475 F482 Y484 N485	T438-W470 HydrophobicContact CG2-CD2 4.49Å; T438-W470 HydrophobicContact CG2-CE3 4.33Å; T438-W470 HydrophobicContact CG2-CH2 3.42Å; T438-W470 VanDerWaalsContact CG2-CH2 3.42Å; T438-W470 HydrophobicContact CG2-CZ2 3.63Å; T438-W470 HydrophobicContact CG2-CZ3 3.81Å; Y440-W470 PolarHBondContact O-NE1 3.01Å; Y442-W470 WeakPolarHBondContact CD2-O 3.47Å; G443-W470 VanDerWaalsContact C-CD2 3.49Å; G443-W470 VanDerWaalsContact O-CE3 3.3Å; G443-W470 PolarHBondContact O-N 2.74Å; N444-W470 VanDerWaalsContact CA-CZ3 3.49Å; N445-W470 VanDerWaalsContact N-CZ3 3.29Å; L466-W470 HydrophobicContact CD1-CE3 3.74Å; L466-W470 HydrophobicContact CD1-CZ3 3.72Å; L466-W470 HydrophobicContact CG-CZ3 4.48Å; W470-H475 AromaticContact CD1-CE1 3.97Å; W470-H475 AromaticContact CD1-NE2 3.14Å; W470-H475 AromaticContact CD2-NE2 3.86Å; W470-H475 AromaticContact CG-CE1 3.99Å; W470-H475 AromaticContact CG-NE2 3.26Å; W470-H475 VanDerWaalsContact CG-NE2 3.26Å; W470-H475 AromaticContact NE1-NE2 3.7Å; W470-F482 HydrophobicContact CE3-CE1 4.35Å; W470-Y484 HydrophobicContact CB-CD2 3.72Å; W470-Y484 HydrophobicContact CB-CG 4.39Å; W470-N485 VanDerWaalsContact CA-O 3.28Å; W470-N485 WeakPolarHBondContact CA-O 3.38Å
471	I	92.3	Very high	95.6	Very high	28 Å²	28	34 Å²	34	14%	0.144	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	148.5	160.2	-167.1	168.3	0	0	0	109.2	Y441 N485 A487 F488	Y441-I471 CarbonylContact O-C 3.56Å; Y441-I471 VanDerWaalsContact O-CA 3.3Å; Y441-I471 WeakPolarHBondContact O-CA 3.41Å; I471-N485 WeakPolarHBondContact CG2-OD1 3.43Å; I471-N485 PolarHBondContact N-O 2.78Å; I471-A487 HydrophobicContact CB-CB 4.06Å; I471-A487 HydrophobicContact CG2-CB 4.47Å; I471-F488 HydrophobicContact CD1-CD1 4.19Å; I471-F488 HydrophobicContact CD1-CE1 3.81Å
472	G	92.3	Very high	95.8	Very high	4 Å²	4	31.1 Å²	31.1	4%	0.041	16%	0.164	C	C	.	.	S	Bend	trans	85.4	-172.3	-174	0	0	0	0	0	112.5	Y441 H475	Y441-G472 CarbonylContact C-O 3.6Å; Y441-G472 VanDerWaalsContact CA-O 3.25Å; Y441-G472 WeakPolarHBondContact CA-O 3.3Å; Y441-G472 PolarHBondContact O-N 3.32Å; Y441-G472 VanDerWaalsContact O-O 3.12Å; G472-H475 PolarHBondContact O-NE2 2.78Å
473	T	94.4	Very high	95.9	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.006	16%	0.155	C	C	.	.	S	Bend	trans	-120.8	-18.2	-178.1	40.4	0	0	0	0	111.7	G422 A423 H475 W521 S525 T629	G422-T473 VanDerWaalsContact O-CG2 3.29Å; G422-T473 WeakPolarHBondContact O-CG2 3.07Å; A423-T473 WeakPolarHBondContact CB-O 3.15Å; T473-H475 PolarHBondContact O-N 2.92Å; T473-W521 HydrophobicContact CG2-CZ2 3.97Å; T473-S525 PolarHBondContact N-OG 3.26Å; T473-S525 PolarHBondContact OG1-OG 3.18Å; T473-T629 VanDerWaalsContact CB-O 3.29Å; T473-T629 WeakPolarHBondContact CB-O 3.28Å; T473-T629 PolarHBondContact OG1-O 3.45Å
474	G	93.5	Very high	96	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.01	14%	0.14	C	C	.	.			trans	-69.2	87.5	179.2	0	0	0	0	0	113	S525 D528	G474-S525 PolarHBondContact N-OG 3.1Å; G474-D528 WeakPolarHBondContact CA-OD1 3.47Å; G474-D528 WeakPolarHBondContact CA-OD2 3.17Å
475	H	95.6	Very high	95.9	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	14%	0.139	C	C	.	.			trans	-142.5	140.1	-173.9	-53.4	-21.8	0	0	0	109.8	M425 W470 G472 T473 F482 Y483	M425-H475 HydrophobicContact CE-CB 4.24Å; M425-H475 WeakPolarHBondContact CE-O 3.25Å; W470-H475 AromaticContact CD1-CE1 3.97Å; W470-H475 AromaticContact CD1-NE2 3.14Å; W470-H475 AromaticContact CD2-NE2 3.86Å; W470-H475 AromaticContact CG-CE1 3.99Å; W470-H475 AromaticContact CG-NE2 3.26Å; W470-H475 VanDerWaalsContact CG-NE2 3.26Å; W470-H475 AromaticContact NE1-NE2 3.7Å; G472-H475 PolarHBondContact O-NE2 2.78Å; T473-H475 PolarHBondContact O-N 2.92Å; H475-F482 HydrophobicContact CB-CE2 3.6Å; H475-F482 HydrophobicContact CB-CZ 3.71Å; H475-F482 AromaticContact CD2-CZ 3.85Å; H475-F482 AromaticContact CG-CZ 3.89Å; H475-Y483 WeakPolarHBondContact CA-O 3.46Å
476	V	97.5	Very high	95.8	Very high	9 Å²	9	23.6 Å²	23.6	6%	0.055	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	152	-179.7	-62.3	0	0	0	0	112.3	F482 Y483 F529 V531 L536	V476-F482 WeakPolarHBondContact O-CA 3.32Å; V476-Y483 HydrophobicContact CG2-CD2 4.15Å; V476-Y483 HydrophobicContact CG2-CG 4.31Å; V476-Y483 PolarHBondContact N-O 3.31Å; V476-Y483 PolarHBondContact O-N 2.95Å; V476-F529 HydrophobicContact CB-CB 4.44Å; V476-F529 HydrophobicContact CG1-CB 4.02Å; V476-F529 WeakPolarHBondContact CG1-O 3.29Å; V476-F529 HydrophobicContact CG2-CB 3.68Å; V476-F529 HydrophobicContact CG2-CG 4.36Å; V476-V531 HydrophobicContact CB-CG2 4.03Å; V476-V531 HydrophobicContact CG1-CG2 4.17Å; V476-V531 HydrophobicContact CG2-CG2 3.91Å; V476-L536 HydrophobicContact CG2-CD1 3.8Å
477	V	97.8	Very high	95.5	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.012	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	125.7	161.8	-177.9	0	0	0	0	108.5	M425 D427 Y436 A481 F482 L497	M425-V477 HydrophobicContact CG-CB 4.46Å; M425-V477 HydrophobicContact CG-CG2 4.1Å; M425-V477 HydrophobicContact SD-CG2 3.89Å; D427-V477 WeakPolarHBondContact CA-O 3.23Å; D427-V477 HydrophobicContact CB-CB 4.44Å; D427-V477 HydrophobicContact CB-CG1 3.9Å; Y436-V477 HydrophobicContact CD1-CG2 4.32Å; Y436-V477 HydrophobicContact CD2-CB 3.95Å; Y436-V477 HydrophobicContact CD2-CG1 4.07Å; Y436-V477 HydrophobicContact CD2-CG2 3.74Å; Y436-V477 HydrophobicContact CE2-CB 4.23Å; Y436-V477 HydrophobicContact CE2-CG1 3.83Å; Y436-V477 HydrophobicContact CE2-CG2 4.31Å; Y436-V477 HydrophobicContact CG-CB 4.45Å; Y436-V477 HydrophobicContact CG-CG2 3.73Å; V477-A481 CarbonylContact C-O 3.59Å; V477-A481 VanDerWaalsContact CA-O 3.32Å; V477-A481 WeakPolarHBondContact CA-O 3.36Å; V477-A481 WeakPolarHBondContact CG1-O 3.37Å; V477-F482 HydrophobicContact CG2-CB 4.27Å; V477-F482 HydrophobicContact CG2-CD2 3.75Å; V477-F482 HydrophobicContact CG2-CG 4.49Å; V477-L497 HydrophobicContact CG1-CD1 3.68Å; V477-L497 HydrophobicContact CG2-CD1 4.24Å
478	Y	96.9	Very high	95.1	Very high	7 Å²	7	23.5 Å²	23.5	3%	0.027	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	126.2	-178.3	-175.4	-114.2	0	0	0	110.8	H393 P428 L429 G480 A481 Y483 V531 L536 P560	H393-Y478 PolarHBondContact CE1-OH 2.85Å; P428-Y478 HydrophobicContact CG-CD2 3.95Å; P428-Y478 HydrophobicContact CG-CE2 4.23Å; L429-Y478 HydrophobicContact CD1-CD2 4.11Å; L429-Y478 HydrophobicContact CD1-CE1 4.21Å; L429-Y478 HydrophobicContact CD1-CE2 3.53Å; L429-Y478 HydrophobicContact CG-CD2 4.35Å; L429-Y478 HydrophobicContact CG-CE2 3.88Å; Y478-G480 VanDerWaalsContact C-N 3.29Å; Y478-G480 PolarHBondContact O-N 3.4Å; Y478-A481 PolarHBondContact N-O 2.87Å; Y478-A481 PolarHBondContact O-N 3.05Å; Y478-A481 VanDerWaalsContact O-N 3.14Å; Y478-Y483 WeakPolarHBondContact O-CE2 3.29Å; Y478-V531 HydrophobicContact CD2-CB 4.47Å; Y478-V531 HydrophobicContact CD2-CG1 3.5Å; Y478-V531 VanDerWaalsContact CD2-CG1 3.5Å; Y478-V531 HydrophobicContact CD2-CG2 4.08Å; Y478-V531 HydrophobicContact CE2-CG1 3.48Å; Y478-V531 VanDerWaalsContact CE2-CG1 3.48Å; Y478-V531 HydrophobicContact CG-CG1 4.43Å; Y478-V531 HydrophobicContact CG-CG2 4.28Å; Y478-L536 HydrophobicContact CD1-CB 4.27Å; Y478-L536 HydrophobicContact CE1-CB 4.25Å; Y478-P560 HydrophobicContact CD1-CB 4.1Å; Y478-P560 HydrophobicContact CE1-CB 3.96Å; Y478-P560 HydrophobicContact CE1-CG 4.2Å
479	N	94.8	Very high	94.7	Very high	82 Å²	82	20.3 Å²	20.3	44%	0.439	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	39.6	178	-162.6	17.8	0	0	0	113.6	D427 L429 A481	D427-N479 VanDerWaalsContact CG-N 3.34Å; D427-N479 PolarHBondContact OD1-N 2.77Å; D427-N479 PolarHBondContact OD2-N 3.36Å; D427-N479 VanDerWaalsContact OD2-N 3.11Å; L429-N479 HydrophobicContact CD1-CB 3.97Å; N479-A481 VanDerWaalsContact C-N 3.31Å; N479-A481 PolarHBondContact O-N 2.73Å
480	G	95.2	Very high	94.5	Very high	26 Å²	26	21.4 Å²	21.4	27%	0.268	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	74	10.9	-179.4	0	0	0	0	0	115.9	D427 Y478 L497	D427-G480 PolarHBondContact OD2-N 2.68Å; Y478-G480 VanDerWaalsContact C-N 3.29Å; Y478-G480 PolarHBondContact O-N 3.4Å; G480-L497 WeakPolarHBondContact O-CB 3.23Å; G480-L497 PolarHBondContact O-N 2.59Å
481	A	97.6	Very high	94.4	Very high	4 Å²	4	22.2 Å²	22.2	3%	0.033	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	148	172.7	0	0	0	0	0	111.4	V477 Y478 N479 Y483 K494 Y495	V477-A481 CarbonylContact C-O 3.59Å; V477-A481 VanDerWaalsContact CA-O 3.32Å; V477-A481 WeakPolarHBondContact CA-O 3.36Å; V477-A481 WeakPolarHBondContact CG1-O 3.37Å; Y478-A481 PolarHBondContact N-O 2.87Å; Y478-A481 PolarHBondContact O-N 3.05Å; Y478-A481 VanDerWaalsContact O-N 3.14Å; N479-A481 VanDerWaalsContact C-N 3.31Å; N479-A481 PolarHBondContact O-N 2.73Å; A481-Y483 HydrophobicContact CB-CE2 3.77Å; A481-Y483 WeakPolarHBondContact O-CD2 3.36Å; A481-Y483 VanDerWaalsContact O-CE2 3.25Å; A481-Y483 WeakPolarHBondContact O-CE2 3.49Å; A481-K494 HydrophobicContact CB-CG 3.95Å; A481-Y495 CarbonylContact C-O 3.56Å; A481-Y495 VanDerWaalsContact CA-O 3.25Å; A481-Y495 WeakPolarHBondContact CA-O 3.35Å
482	F	98.1	Very high	94.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	133.4	175.3	175.7	-111.7	0	0	0	110.2	M425 T438 L446 L466 W470 H475 V476 V477 Y484 Y495 L497	M425-F482 HydrophobicContact SD-CD2 4.37Å; M425-F482 HydrophobicContact SD-CE2 4.09Å; T438-F482 HydrophobicContact CG2-CE2 4.07Å; T438-F482 HydrophobicContact CG2-CZ 3.68Å; L446-F482 HydrophobicContact CD1-CD2 4.01Å; L446-F482 HydrophobicContact CD1-CE2 3.74Å; L446-F482 HydrophobicContact CD1-CZ 4.14Å; L446-F482 HydrophobicContact CD2-CB 3.97Å; L446-F482 HydrophobicContact CD2-CD1 4.25Å; L446-F482 HydrophobicContact CD2-CD2 3.84Å; L446-F482 HydrophobicContact CD2-CE2 4.37Å; L446-F482 HydrophobicContact CD2-CG 3.76Å; L466-F482 HydrophobicContact CD1-CD1 3.73Å; L466-F482 HydrophobicContact CD1-CE1 3.5Å; L466-F482 VanDerWaalsContact CD1-CE1 3.5Å; W470-F482 HydrophobicContact CE3-CE1 4.35Å; H475-F482 HydrophobicContact CB-CE2 3.6Å; H475-F482 HydrophobicContact CB-CZ 3.71Å; H475-F482 AromaticContact CD2-CZ 3.85Å; H475-F482 AromaticContact CG-CZ 3.89Å; V476-F482 WeakPolarHBondContact O-CA 3.32Å; V477-F482 HydrophobicContact CG2-CB 4.27Å; V477-F482 HydrophobicContact CG2-CD2 3.75Å; V477-F482 HydrophobicContact CG2-CG 4.49Å; F482-Y484 AromaticContact CD1-CD1 3.42Å; F482-Y484 HydrophobicContact CD1-CD1 3.42Å; F482-Y484 VanDerWaalsContact CD1-CD1 3.42Å; F482-Y484 AromaticContact CD1-CE1 3.95Å; F482-Y484 HydrophobicContact CD1-CE1 3.95Å; F482-Y484 HydrophobicContact CD1-CG 4.19Å; F482-Y484 AromaticContact CE1-CD1 3.39Å; F482-Y484 HydrophobicContact CE1-CD1 3.39Å; F482-Y484 HydrophobicContact CE1-CE1 4.13Å; F482-Y484 AromaticContact CE1-CG 3.68Å; F482-Y484 HydrophobicContact CE1-CG 3.68Å; F482-Y484 HydrophobicContact CG-CD1 4.49Å; F482-Y484 HydrophobicContact CZ-CD1 4.45Å; F482-Y484 HydrophobicContact CZ-CG 4.46Å; F482-Y495 PolarHBondContact N-O 2.97Å; F482-Y495 PolarHBondContact O-N 3.3Å; F482-L497 HydrophobicContact CB-CD1 4.42Å; F482-L497 HydrophobicContact CB-CD2 3.93Å; F482-L497 HydrophobicContact CB-CG 4.27Å
483	Y	98.3	Very high	94.9	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.008	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	126.6	-174.4	-59.1	-101.7	0	0	0	109.5	H475 V476 Y478 A481 I493 K494 F529 L536 P560 L563	H475-Y483 WeakPolarHBondContact CA-O 3.46Å; V476-Y483 HydrophobicContact CG2-CD2 4.15Å; V476-Y483 HydrophobicContact CG2-CG 4.31Å; V476-Y483 PolarHBondContact N-O 3.31Å; V476-Y483 PolarHBondContact O-N 2.95Å; Y478-Y483 WeakPolarHBondContact O-CE2 3.29Å; A481-Y483 HydrophobicContact CB-CE2 3.77Å; A481-Y483 WeakPolarHBondContact O-CD2 3.36Å; A481-Y483 VanDerWaalsContact O-CE2 3.25Å; A481-Y483 WeakPolarHBondContact O-CE2 3.49Å; Y483-I493 WeakPolarHBondContact CA-O 3.46Å; Y483-K494 HydrophobicContact CD1-CB 3.99Å; Y483-K494 HydrophobicContact CD1-CG 4.25Å; Y483-K494 HydrophobicContact CE1-CB 3.79Å; Y483-K494 HydrophobicContact CE1-CD 3.85Å; Y483-K494 HydrophobicContact CE1-CG 3.63Å; Y483-F529 HydrophobicContact CD1-CE1 4.46Å; Y483-L536 HydrophobicContact CD1-CD2 3.66Å; Y483-L536 HydrophobicContact CE1-CD2 3.44Å; Y483-L536 VanDerWaalsContact CE1-CD2 3.44Å; Y483-L536 HydrophobicContact CG-CD2 4.3Å; Y483-P560 PolarHBondContact OH-O 3.05Å; Y483-L563 HydrophobicContact CD1-CD2 3.74Å; Y483-L563 HydrophobicContact CE1-CD2 3.71Å
484	Y	97.1	Very high	95	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	154.3	-175.1	65.3	-77.3	0	0	0	112.4	L466 W470 F482 I493 F529	L466-Y484 HydrophobicContact CD1-CD1 4.28Å; L466-Y484 HydrophobicContact CD1-CE1 3.86Å; L466-Y484 HydrophobicContact CD1-CE2 4.35Å; W470-Y484 HydrophobicContact CB-CD2 3.72Å; W470-Y484 HydrophobicContact CB-CG 4.39Å; F482-Y484 AromaticContact CD1-CD1 3.42Å; F482-Y484 HydrophobicContact CD1-CD1 3.42Å; F482-Y484 VanDerWaalsContact CD1-CD1 3.42Å; F482-Y484 AromaticContact CD1-CE1 3.95Å; F482-Y484 HydrophobicContact CD1-CE1 3.95Å; F482-Y484 HydrophobicContact CD1-CG 4.19Å; F482-Y484 AromaticContact CE1-CD1 3.39Å; F482-Y484 HydrophobicContact CE1-CD1 3.39Å; F482-Y484 HydrophobicContact CE1-CE1 4.13Å; F482-Y484 AromaticContact CE1-CG 3.68Å; F482-Y484 HydrophobicContact CE1-CG 3.68Å; F482-Y484 HydrophobicContact CG-CD1 4.49Å; F482-Y484 HydrophobicContact CZ-CD1 4.45Å; F482-Y484 HydrophobicContact CZ-CG 4.46Å; Y484-I493 HydrophobicContact CD1-CB 4.28Å; Y484-I493 HydrophobicContact CD1-CG2 4.34Å; Y484-I493 HydrophobicContact CE1-CB 3.9Å; Y484-I493 HydrophobicContact CE1-CG2 3.55Å; Y484-I493 HydrophobicContact CE2-CB 4.35Å; Y484-I493 HydrophobicContact CE2-CD1 4.42Å; Y484-I493 PolarHBondContact N-O 2.91Å; Y484-I493 VanDerWaalsContact N-O 3.12Å; Y484-I493 PolarHBondContact O-N 2.91Å; Y484-F529 VanDerWaalsContact C-CE2 3.49Å
485	N	95.6	Very high	95.3	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.011	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	129.4	168.5	173.9	-126.5	0	0	0	110.1	W470 I471 A487 T489 N491 Y513 I527	W470-N485 VanDerWaalsContact CA-O 3.28Å; W470-N485 WeakPolarHBondContact CA-O 3.38Å; I471-N485 WeakPolarHBondContact CG2-OD1 3.43Å; I471-N485 PolarHBondContact N-O 2.78Å; N485-A487 PolarHBondContact O-N 2.86Å; N485-T489 PolarHBondContact ND2-O 2.83Å; N485-N491 PolarHBondContact ND2-O 3.45Å; N485-Y513 PolarHBondContact ND2-OH 2.89Å; N485-Y513 PolarHBondContact OD1-OH 3.04Å; N485-I527 HydrophobicContact CB-CB 4.04Å; N485-I527 HydrophobicContact CB-CD1 4.36Å; N485-I527 HydrophobicContact CB-CG2 4.1Å; N485-I527 WeakPolarHBondContact ND2-CD1 3.32Å
486	R	94.6	Very high	95.3	Very high	89 Å²	89	23.7 Å²	23.7	34%	0.336	12%	0.12	S	C	.	.	B	Isolated β-bridge	trans	-74.3	123.3	175.5	172.9	-179.4	168.5	-167.3	-1.9	110.3	F488 T489 N491 I493	R486-F488 PolarHBondContact O-N 2.96Å; R486-T489 WeakPolarHBondContact CG-OG1 3.44Å; R486-T489 PolarHBondContact O-N 2.83Å; R486-T489 VanDerWaalsContact O-N 3.13Å; R486-T489 PolarHBondContact O-OG1 2.85Å; R486-N491 HydrophobicContact CB-CB 4.31Å; R486-N491 PolarHBondContact N-O 3.49Å; R486-I493 HydrophobicContact CB-CD1 3.76Å; R486-I493 HydrophobicContact CB-CG1 4.19Å; R486-I493 HydrophobicContact CG-CD1 4.26Å
487	A	91.3	Very high	95.3	Very high	10 Å²	10	23.7 Å²	23.7	8%	0.083	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.3	133.6	-176.8	0	0	0	0	0	113.8	Y442 N469 I471 N485 T489	Y442-A487 HydrophobicContact CD2-CB 4.15Å; Y442-A487 HydrophobicContact CE2-CB 3.74Å; N469-A487 HydrophobicContact CB-CB 4.19Å; N469-A487 WeakPolarHBondContact O-CB 3.28Å; N469-A487 PolarHBondContact O-N 2.95Å; I471-A487 HydrophobicContact CB-CB 4.06Å; I471-A487 HydrophobicContact CG2-CB 4.47Å; N485-A487 PolarHBondContact O-N 2.86Å; A487-T489 PolarHBondContact O-N 3Å
488	F	86.2	Confident	95.1	Very high	72 Å²	72	33 Å²	33	32%	0.316	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	21.5	177.5	-35.3	-62.2	0	0	0	114.5	Y442 I471 R486 P518 W519	Y442-F488 HydrophobicContact CD2-CE2 4.47Å; Y442-F488 HydrophobicContact CD2-CZ 4Å; Y442-F488 AromaticContact CE2-CE2 3.56Å; Y442-F488 HydrophobicContact CE2-CE2 3.56Å; Y442-F488 AromaticContact CE2-CZ 3.48Å; Y442-F488 HydrophobicContact CE2-CZ 3.48Å; Y442-F488 VanDerWaalsContact CE2-CZ 3.48Å; I471-F488 HydrophobicContact CD1-CD1 4.19Å; I471-F488 HydrophobicContact CD1-CE1 3.81Å; R486-F488 PolarHBondContact O-N 2.96Å; F488-P518 WeakPolarHBondContact CD1-O 3.49Å; F488-W519 HydrophobicContact CD1-CD2 4.41Å; F488-W519 HydrophobicContact CD1-CE3 4.14Å; F488-W519 HydrophobicContact CD1-CH2 4.28Å; F488-W519 HydrophobicContact CD1-CZ3 4.09Å; F488-W519 HydrophobicContact CD2-CH2 4.21Å; F488-W519 HydrophobicContact CD2-CZ3 4.21Å; F488-W519 AromaticContact CE1-CD2 3.92Å; F488-W519 HydrophobicContact CE1-CD2 3.92Å; F488-W519 AromaticContact CE1-CE3 3.33Å; F488-W519 HydrophobicContact CE1-CE3 3.33Å; F488-W519 HydrophobicContact CE1-CH2 4.08Å; F488-W519 AromaticContact CE1-CZ3 3.44Å; F488-W519 HydrophobicContact CE1-CZ3 3.44Å; F488-W519 VanDerWaalsContact CE1-CZ3 3.44Å; F488-W519 HydrophobicContact CE2-CE3 4.3Å; F488-W519 AromaticContact CE2-CH2 3.99Å; F488-W519 HydrophobicContact CE2-CH2 3.99Å; F488-W519 AromaticContact CE2-CZ3 3.56Å; F488-W519 HydrophobicContact CE2-CZ3 3.56Å; F488-W519 HydrophobicContact CG-CH2 4.36Å; F488-W519 HydrophobicContact CG-CZ3 4.45Å; F488-W519 HydrophobicContact CZ-CD2 4.43Å; F488-W519 AromaticContact CZ-CE3 3.44Å; F488-W519 HydrophobicContact CZ-CE3 3.44Å; F488-W519 VanDerWaalsContact CZ-CE3 3.44Å; F488-W519 AromaticContact CZ-CH2 3.94Å; F488-W519 HydrophobicContact CZ-CH2 3.94Å; F488-W519 AromaticContact CZ-CZ3 3.14Å; F488-W519 HydrophobicContact CZ-CZ3 3.14Å
489	T	89.3	Confident	95	Very high	34 Å²	34	38.2 Å²	38.2	21%	0.209	18%	0.181	C	C	.	.	S	Bend	trans	-145.4	145.3	177.1	71.5	0	0	0	0	111.6	N485 R486 A487 N491 Y513	N485-T489 PolarHBondContact ND2-O 2.83Å; R486-T489 WeakPolarHBondContact CG-OG1 3.44Å; R486-T489 PolarHBondContact O-N 2.83Å; R486-T489 VanDerWaalsContact O-N 3.13Å; R486-T489 PolarHBondContact O-OG1 2.85Å; A487-T489 PolarHBondContact O-N 3Å; T489-N491 WeakPolarHBondContact CB-ND2 3.27Å; T489-N491 PolarHBondContact O-N 2.92Å; T489-N491 PolarHBondContact OG1-ND2 3.37Å; T489-Y513 PolarHBondContact O-OH 3.45Å
490	K	91	Very high	95	Very high	73 Å²	73	40.5 Å²	40.5	32%	0.317	18%	0.183	S	C	.	.	S	Bend	trans	-69.8	20.3	174.1	-48.1	175.7	-177.6	-167	0	113.5	L507 L508 H509 V511 Y513	K490-L507 HydrophobicContact CB-CD1 3.85Å; K490-L508 VanDerWaalsContact CB-O 3.22Å; K490-L508 WeakPolarHBondContact CB-O 3.4Å; K490-L508 VanDerWaalsContact CD-O 3.26Å; K490-L508 WeakPolarHBondContact CD-O 3.36Å; K490-L508 PolarHBondContact O-N 2.84Å; K490-H509 PolarHBondContact NZ-O 3.13Å; K490-V511 HydrophobicContact CB-CB 4.33Å; K490-V511 HydrophobicContact CB-CG1 4.37Å; K490-V511 HydrophobicContact CD-CB 4Å; K490-V511 HydrophobicContact CD-CG1 4.23Å; K490-V511 WeakPolarHBondContact CE-O 3.33Å; K490-V511 HydrophobicContact CG-CB 4.15Å; K490-V511 HydrophobicContact CG-CG1 3.96Å; K490-V511 PolarHBondContact NZ-O 2.77Å; K490-Y513 HydrophobicContact CB-CE2 4.31Å; K490-Y513 HydrophobicContact CG-CD2 3.99Å; K490-Y513 HydrophobicContact CG-CE2 3.58Å
491	N	93.8	Very high	95.1	Very high	19 Å²	19	44.7 Å²	44.7	10%	0.102	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	131.5	-178.4	-60.5	-68.7	0	0	0	110.8	N485 R486 T489 T506	N485-N491 PolarHBondContact ND2-O 3.45Å; R486-N491 HydrophobicContact CB-CB 4.31Å; R486-N491 PolarHBondContact N-O 3.49Å; T489-N491 WeakPolarHBondContact CB-ND2 3.27Å; T489-N491 PolarHBondContact O-N 2.92Å; T489-N491 PolarHBondContact OG1-ND2 3.37Å; N491-T506 CarbonylContact C-O 3.59Å; N491-T506 VanDerWaalsContact CA-O 3.23Å; N491-T506 WeakPolarHBondContact CA-O 3.39Å
492	I	96.5	Very high	95	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	141.1	166.4	49.5	167.3	0	0	0	109.8	W505 T506 L508 I527 F529 V538 L558 L563	I492-W505 VanDerWaalsContact O-CA 3.22Å; I492-W505 WeakPolarHBondContact O-CA 3.49Å; I492-T506 HydrophobicContact CD1-CG2 3.62Å; I492-T506 HydrophobicContact CG1-CG2 3.49Å; I492-T506 VanDerWaalsContact CG1-CG2 3.49Å; I492-T506 PolarHBondContact N-O 3.3Å; I492-T506 PolarHBondContact O-N 3.16Å; I492-T506 VanDerWaalsContact O-N 3.08Å; I492-L508 HydrophobicContact CD1-CD2 4.01Å; I492-L508 HydrophobicContact CD1-CG 4.43Å; I492-L508 HydrophobicContact CG1-CD2 4.36Å; I492-L508 HydrophobicContact CG1-CG 4.31Å; I492-L508 HydrophobicContact CG2-CD1 3.88Å; I492-L508 HydrophobicContact CG2-CG 4.33Å; I492-I527 HydrophobicContact CG2-CG2 3.95Å; I492-F529 HydrophobicContact CB-CE1 4.27Å; I492-F529 HydrophobicContact CB-CZ 3.67Å; I492-F529 HydrophobicContact CG2-CE1 4.18Å; I492-F529 HydrophobicContact CG2-CE2 4.02Å; I492-F529 HydrophobicContact CG2-CZ 3.44Å; I492-F529 VanDerWaalsContact CG2-CZ 3.44Å; I492-V538 HydrophobicContact CG2-CG2 4.49Å; I492-L558 HydrophobicContact CD1-CD1 3.7Å; I492-L558 HydrophobicContact CD1-CD2 4.08Å; I492-L563 HydrophobicContact CD1-CB 4.17Å; I492-L563 HydrophobicContact CD1-CD1 4.34Å; I492-L563 HydrophobicContact CG1-CD1 4.21Å
493	I	97.6	Very high	95	Very high	3 Å²	3	48 Å²	48	2%	0.015	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	136.3	-174.6	-64.7	-167.8	0	0	0	110.7	Y468 Y483 Y484 R486 V502 W505	Y468-I493 HydrophobicContact CD2-CD1 3.52Å; Y468-I493 HydrophobicContact CE2-CD1 4.18Å; Y468-I493 HydrophobicContact CG-CD1 4.24Å; Y483-I493 WeakPolarHBondContact CA-O 3.46Å; Y484-I493 HydrophobicContact CD1-CB 4.28Å; Y484-I493 HydrophobicContact CD1-CG2 4.34Å; Y484-I493 HydrophobicContact CE1-CB 3.9Å; Y484-I493 HydrophobicContact CE1-CG2 3.55Å; Y484-I493 HydrophobicContact CE2-CB 4.35Å; Y484-I493 HydrophobicContact CE2-CD1 4.42Å; Y484-I493 PolarHBondContact N-O 2.91Å; Y484-I493 VanDerWaalsContact N-O 3.12Å; Y484-I493 PolarHBondContact O-N 2.91Å; R486-I493 HydrophobicContact CB-CD1 3.76Å; R486-I493 HydrophobicContact CB-CG1 4.19Å; R486-I493 HydrophobicContact CG-CD1 4.26Å; I493-V502 HydrophobicContact CG2-CB 4.45Å; I493-V502 HydrophobicContact CG2-CG1 3.91Å; I493-V502 HydrophobicContact CG2-CG2 3.79Å; I493-W505 HydrophobicContact CG1-CB 4.05Å
494	K	97.9	Very high	94.9	Very high	31 Å²	31	48.5 Å²	48.5	14%	0.135	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	118.9	168.6	171.8	-174.6	165.7	-175.5	0	109.5	A481 Y483 V502 A503 A504 P560 G561 L563	A481-K494 HydrophobicContact CB-CG 3.95Å; Y483-K494 HydrophobicContact CD1-CB 3.99Å; Y483-K494 HydrophobicContact CD1-CG 4.25Å; Y483-K494 HydrophobicContact CE1-CB 3.79Å; Y483-K494 HydrophobicContact CE1-CD 3.85Å; Y483-K494 HydrophobicContact CE1-CG 3.63Å; K494-V502 CarbonylContact O-C 3.56Å; K494-A503 HydrophobicContact CD-CB 4.4Å; K494-A503 HydrophobicContact CG-CB 4.37Å; K494-A503 PolarHBondContact O-N 2.96Å; K494-A504 HydrophobicContact CB-CB 4.21Å; K494-A504 HydrophobicContact CD-CB 4.2Å; K494-A504 PolarHBondContact N-O 2.78Å; K494-A504 PolarHBondContact O-N 3.49Å; K494-P560 WeakPolarHBondContact CE-O 2.9Å; K494-P560 PolarHBondContact NZ-O 3.35Å; K494-G561 PolarHBondContact NZ-O 3.31Å; K494-L563 HydrophobicContact CB-CD1 3.95Å; K494-L563 HydrophobicContact CB-CD2 4.18Å; K494-L563 HydrophobicContact CB-CG 4.19Å
495	Y	98	Very high	94.8	Very high	9 Å²	9	56.4 Å²	56.4	4%	0.035	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	115.7	178.8	179.9	-93.7	0	0	0	110.6	F464 L466 P467 A481 F482 L497 R500 Y501 V502	F464-Y495 HydrophobicContact CB-CE1 4.35Å; L466-Y495 HydrophobicContact CD2-CD1 3.49Å; L466-Y495 VanDerWaalsContact CD2-CD1 3.49Å; L466-Y495 HydrophobicContact CD2-CD2 4.13Å; L466-Y495 HydrophobicContact CD2-CE1 3.49Å; L466-Y495 VanDerWaalsContact CD2-CE1 3.49Å; L466-Y495 HydrophobicContact CD2-CE2 4.14Å; L466-Y495 HydrophobicContact CD2-CG 3.82Å; P467-Y495 HydrophobicContact CG-CE2 4.5Å; A481-Y495 CarbonylContact C-O 3.56Å; A481-Y495 VanDerWaalsContact CA-O 3.25Å; A481-Y495 WeakPolarHBondContact CA-O 3.35Å; F482-Y495 PolarHBondContact N-O 2.97Å; F482-Y495 PolarHBondContact O-N 3.3Å; Y495-L497 HydrophobicContact CD1-CD2 3.91Å; Y495-L497 HydrophobicContact CE1-CD2 4.11Å; Y495-L497 PolarHBondContact O-N 2.89Å; Y495-R500 VanDerWaalsContact CE2-C 3.49Å; Y495-R500 WeakPolarHBondContact CE2-O 3.01Å; Y495-R500 VanDerWaalsContact CZ-C 3.48Å; Y495-R500 VanDerWaalsContact OH-CA 3.32Å; Y495-R500 WeakPolarHBondContact OH-CA 3.38Å; Y495-R500 WeakPolarHBondContact OH-CB 3.32Å; Y495-R500 PolarHBondContact OH-O 3.04Å; Y495-Y501 CarbonylContact C-O 3.57Å; Y495-Y501 WeakPolarHBondContact CA-O 3.34Å; Y495-Y501 VanDerWaalsContact CD2-C 3.46Å; Y495-Y501 WeakPolarHBondContact CD2-O 3.41Å; Y495-V502 HydrophobicContact CD2-CG2 4.21Å
496	D	97.1	Very high	94.8	Very high	23 Å²	23	58.3 Å²	58.3	12%	0.123	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	116.3	177.6	-178.6	-47.9	0	0	0	108.9	R498 M499 R500 Y501 A503	D496-R498 VanDerWaalsContact C-N 3.33Å; D496-R498 PolarHBondContact O-N 3.01Å; D496-R498 WeakPolarHBondContact OD1-CA 3.33Å; D496-R498 WeakPolarHBondContact OD1-CB 3.45Å; D496-R498 PolarHBondContact OD1-N 2.86Å; D496-R498 IonicContact OD2-NH2 3.68Å; D496-M499 HydrophobicContact CB-CB 4.3Å; D496-M499 PolarHBondContact OD1-N 2.89Å; D496-R500 WeakPolarHBondContact O-CA 3.28Å; D496-R500 PolarHBondContact O-N 3Å; D496-Y501 HydrophobicContact CB-CD1 4.17Å; D496-Y501 HydrophobicContact CB-CE1 3.88Å; D496-Y501 PolarHBondContact N-O 2.88Å; D496-A503 HydrophobicContact CB-CB 4.3Å
497	L	96.2	Very high	94.8	Very high	10 Å²	10	57.1 Å²	57.1	5%	0.052	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-28.6	-174.9	-64.2	171.4	0	0	0	112.4	Y436 L446 F464 V477 G480 F482 Y495 R500	Y436-L497 HydrophobicContact CD1-CD1 4.4Å; Y436-L497 HydrophobicContact CE1-CD1 3.86Å; L446-L497 HydrophobicContact CD2-CD1 4.5Å; L446-L497 HydrophobicContact CD2-CD2 3.62Å; F464-L497 HydrophobicContact CB-CD2 4.43Å; F464-L497 HydrophobicContact CD1-CD2 4.13Å; F464-L497 HydrophobicContact CD2-CD2 3.79Å; F464-L497 HydrophobicContact CE1-CB 4.03Å; F464-L497 HydrophobicContact CE1-CD2 4.27Å; F464-L497 WeakPolarHBondContact CE1-O 3.3Å; F464-L497 HydrophobicContact CE2-CB 4.42Å; F464-L497 HydrophobicContact CE2-CD2 3.91Å; F464-L497 HydrophobicContact CG-CD2 3.86Å; F464-L497 HydrophobicContact CZ-CB 3.89Å; F464-L497 HydrophobicContact CZ-CD2 4.13Å; F464-L497 HydrophobicContact CZ-CG 4.49Å; V477-L497 HydrophobicContact CG1-CD1 3.68Å; V477-L497 HydrophobicContact CG2-CD1 4.24Å; G480-L497 WeakPolarHBondContact O-CB 3.23Å; G480-L497 PolarHBondContact O-N 2.59Å; F482-L497 HydrophobicContact CB-CD1 4.42Å; F482-L497 HydrophobicContact CB-CD2 3.93Å; F482-L497 HydrophobicContact CB-CG 4.27Å; Y495-L497 HydrophobicContact CD1-CD2 3.91Å; Y495-L497 HydrophobicContact CE1-CD2 4.11Å; Y495-L497 PolarHBondContact O-N 2.89Å; L497-R500 WeakPolarHBondContact O-CG 3.09Å
498	R	94.1	Very high	94.8	Very high	197 Å²	197	56.6 Å²	56.6	74%	0.743	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-42.8	-178.7	172.3	-173.7	58	175.4	-6.3	111.4	D496	D496-R498 VanDerWaalsContact C-N 3.33Å; D496-R498 PolarHBondContact O-N 3.01Å; D496-R498 WeakPolarHBondContact OD1-CA 3.33Å; D496-R498 WeakPolarHBondContact OD1-CB 3.45Å; D496-R498 PolarHBondContact OD1-N 2.86Å; D496-R498 IonicContact OD2-NH2 3.68Å
499	M	94.9	Very high	94.8	Very high	116 Å²	116	59.9 Å²	59.9	57%	0.571	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-14.3	179.7	-63.5	-169.6	-177.8	0	0	113.3	D496 Y501	D496-M499 HydrophobicContact CB-CB 4.3Å; D496-M499 PolarHBondContact OD1-N 2.89Å; M499-Y501 HydrophobicContact CB-CD1 3.47Å; M499-Y501 VanDerWaalsContact CB-CD1 3.47Å; M499-Y501 HydrophobicContact CB-CE1 3.52Å; M499-Y501 HydrophobicContact CG-CE1 4.2Å; M499-Y501 HydrophobicContact SD-CE1 3.73Å
500	R	95.8	Very high	94.8	Very high	130 Å²	130	60.5 Å²	60.5	49%	0.491	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.7	38.9	173.7	-59.1	-176	176.3	-140.8	-6.9	115.2	N462 F464 Y495 D496 L497	N462-R500 PolarHBondContact ND2-NH2 3.14Å; N462-R500 PolarHBondContact OD1-NH2 3.03Å; F464-R500 HydrophobicContact CD1-CG 4.36Å; Y495-R500 VanDerWaalsContact CE2-C 3.49Å; Y495-R500 WeakPolarHBondContact CE2-O 3.01Å; Y495-R500 VanDerWaalsContact CZ-C 3.48Å; Y495-R500 VanDerWaalsContact OH-CA 3.32Å; Y495-R500 WeakPolarHBondContact OH-CA 3.38Å; Y495-R500 WeakPolarHBondContact OH-CB 3.32Å; Y495-R500 PolarHBondContact OH-O 3.04Å; D496-R500 WeakPolarHBondContact O-CA 3.28Å; D496-R500 PolarHBondContact O-N 3Å; L497-R500 WeakPolarHBondContact O-CG 3.09Å
501	Y	95.4	Very high	94.6	Very high	115 Å²	115	57 Å²	57	45%	0.451	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	162.4	178.3	80.8	-65.1	0	0	0	112.3	Y495 D496 M499 A503	Y495-Y501 CarbonylContact C-O 3.57Å; Y495-Y501 WeakPolarHBondContact CA-O 3.34Å; Y495-Y501 VanDerWaalsContact CD2-C 3.46Å; Y495-Y501 WeakPolarHBondContact CD2-O 3.41Å; D496-Y501 HydrophobicContact CB-CD1 4.17Å; D496-Y501 HydrophobicContact CB-CE1 3.88Å; D496-Y501 PolarHBondContact N-O 2.88Å; M499-Y501 HydrophobicContact CB-CD1 3.47Å; M499-Y501 VanDerWaalsContact CB-CD1 3.47Å; M499-Y501 HydrophobicContact CB-CE1 3.52Å; M499-Y501 HydrophobicContact CG-CE1 4.2Å; M499-Y501 HydrophobicContact SD-CE1 3.73Å; Y501-A503 HydrophobicContact CE1-CB 4.32Å; Y501-A503 HydrophobicContact CE2-CB 4.12Å; Y501-A503 PolarHBondContact O-N 2.92Å
502	V	97.2	Very high	94.2	Very high	36 Å²	36	57.1 Å²	57.1	22%	0.218	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	110.4	169.9	170.9	0	0	0	0	108.5	P467 Y468 I493 K494 Y495 W505	P467-V502 HydrophobicContact CG-CG2 3.73Å; Y468-V502 HydrophobicContact CD2-CG2 4.36Å; Y468-V502 HydrophobicContact CE2-CG2 4.26Å; I493-V502 HydrophobicContact CG2-CB 4.45Å; I493-V502 HydrophobicContact CG2-CG1 3.91Å; I493-V502 HydrophobicContact CG2-CG2 3.79Å; K494-V502 CarbonylContact O-C 3.56Å; Y495-V502 HydrophobicContact CD2-CG2 4.21Å; V502-W505 HydrophobicContact CG1-CB 4.44Å
503	A	96.4	Very high	93.2	Very high	36 Å²	36	59.6 Å²	59.6	30%	0.298	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-31.9	-177	0	0	0	0	0	112.5	K494 D496 Y501	K494-A503 HydrophobicContact CD-CB 4.4Å; K494-A503 HydrophobicContact CG-CB 4.37Å; K494-A503 PolarHBondContact O-N 2.96Å; D496-A503 HydrophobicContact CB-CB 4.3Å; Y501-A503 HydrophobicContact CE1-CB 4.32Å; Y501-A503 HydrophobicContact CE2-CB 4.12Å; Y501-A503 PolarHBondContact O-N 2.92Å
504	A	96.4	Very high	91.7	Very high	13 Å²	13	62 Å²	62	11%	0.107	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	156.4	171.4	0	0	0	0	0	110.7	K494 L563	K494-A504 HydrophobicContact CB-CB 4.21Å; K494-A504 HydrophobicContact CD-CB 4.2Å; K494-A504 PolarHBondContact N-O 2.78Å; K494-A504 PolarHBondContact O-N 3.49Å; A504-L563 HydrophobicContact CB-CD1 4.31Å; A504-L563 HydrophobicContact CB-CG 4.16Å
505	W	96.1	Very high	89.7	Confident	166 Å²	166	68.4 Å²	68.4	63%	0.629	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-150.2	148.7	167.7	67.4	-82.4	0	0	0	108.6	I492 I493 V502	I492-W505 VanDerWaalsContact O-CA 3.22Å; I492-W505 WeakPolarHBondContact O-CA 3.49Å; I493-W505 HydrophobicContact CG1-CB 4.05Å; V502-W505 HydrophobicContact CG1-CB 4.44Å
506	T	95.6	Very high	87.4	Confident	42 Å²	42	71.5 Å²	71.5	26%	0.258	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	163.9	170.9	-167.7	0	0	0	0	110.9	N491 I492 L563	N491-T506 CarbonylContact C-O 3.59Å; N491-T506 VanDerWaalsContact CA-O 3.23Å; N491-T506 WeakPolarHBondContact CA-O 3.39Å; I492-T506 HydrophobicContact CD1-CG2 3.62Å; I492-T506 HydrophobicContact CG1-CG2 3.49Å; I492-T506 VanDerWaalsContact CG1-CG2 3.49Å; I492-T506 PolarHBondContact N-O 3.3Å; I492-T506 PolarHBondContact O-N 3.16Å; I492-T506 VanDerWaalsContact O-N 3.08Å; T506-L563 HydrophobicContact CG2-CB 3.81Å; T506-L563 WeakPolarHBondContact CG2-O 3.31Å
507	L	93.6	Very high	85.1	Confident	64 Å²	64	73.7 Å²	73.7	34%	0.335	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	124.2	177.1	-179.5	68.4	0	0	0	109.6	K490 H509	K490-L507 HydrophobicContact CB-CD1 3.85Å; L507-H509 PolarHBondContact O-CE1 2.68Å; L507-H509 VanDerWaalsContact O-CE1 3.27Å; L507-H509 PolarHBondContact O-N 2.78Å; L507-H509 PolarHBondContact O-ND1 3.48Å
508	L	91.4	Very high	82.9	Confident	0 Å²	0	76.6 Å²	76.6	0%	0	37%	0.372	C	S	.	.			trans	-80.2	114.5	165.5	-57.2	178.1	0	0	0	107.8	K490 I492 V511 I527 V538 Y540 M565	K490-L508 VanDerWaalsContact CB-O 3.22Å; K490-L508 WeakPolarHBondContact CB-O 3.4Å; K490-L508 VanDerWaalsContact CD-O 3.26Å; K490-L508 WeakPolarHBondContact CD-O 3.36Å; K490-L508 PolarHBondContact O-N 2.84Å; I492-L508 HydrophobicContact CD1-CD2 4.01Å; I492-L508 HydrophobicContact CD1-CG 4.43Å; I492-L508 HydrophobicContact CG1-CD2 4.36Å; I492-L508 HydrophobicContact CG1-CG 4.31Å; I492-L508 HydrophobicContact CG2-CD1 3.88Å; I492-L508 HydrophobicContact CG2-CG 4.33Å; L508-V511 HydrophobicContact CB-CB 4.21Å; L508-V511 HydrophobicContact CB-CG2 3.42Å; L508-V511 VanDerWaalsContact CB-CG2 3.42Å; L508-V511 HydrophobicContact CD1-CG2 3.7Å; L508-V511 HydrophobicContact CG-CG2 4.21Å; L508-I527 HydrophobicContact CD1-CD1 4.03Å; L508-I527 HydrophobicContact CD1-CG1 4.27Å; L508-I527 HydrophobicContact CD1-CG2 4.23Å; L508-V538 HydrophobicContact CD1-CG2 4.08Å; L508-Y540 HydrophobicContact CD1-CD1 4.22Å; L508-Y540 HydrophobicContact CD1-CG 4.48Å; L508-M565 HydrophobicContact CD2-CE 3.92Å; L508-M565 HydrophobicContact CD2-SD 3.7Å
509	H	87	Confident	81.1	Confident	141 Å²	141	75 Å²	75	65%	0.653	37%	0.366	S	S	*	.	S	Bend	trans	-82.8	-37.8	-167	-69.8	68.2	0	0	0	112	K490 L507	K490-H509 PolarHBondContact NZ-O 3.13Å; L507-H509 PolarHBondContact O-CE1 2.68Å; L507-H509 VanDerWaalsContact O-CE1 3.27Å; L507-H509 PolarHBondContact O-N 2.78Å; L507-H509 PolarHBondContact O-ND1 3.48Å
510	D	87.9	Confident	79.4	Confident	46 Å²	46	76 Å²	76	25%	0.246	37%	0.367	C	S	.	.	S	Bend	trans	-90.9	-11	-173.9	61	-36.3	0	0	0	114.6	V512 Y540 A542 R572	D510-V512 PolarHBondContact O-N 3.31Å; D510-Y540 WeakPolarHBondContact OD1-CE2 3.17Å; D510-Y540 PolarHBondContact OD1-OH 2.88Å; D510-Y540 VanDerWaalsContact OD1-OH 3.11Å; D510-Y540 WeakPolarHBondContact OD2-CE2 3.43Å; D510-Y540 PolarHBondContact OD2-OH 3.18Å; D510-A542 HydrophobicContact CB-CB 4.32Å; D510-A542 WeakPolarHBondContact O-CA 3.23Å; D510-A542 WeakPolarHBondContact O-CB 3.2Å; D510-R572 IonicContact OD2-NH2 2.65Å
511	V	88.5	Confident	78.3	Confident	1 Å²	1	71.5 Å²	71.5	1%	0.006	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-50.2	137.1	172.6	161.5	0	0	0	0	111.6	K490 L508 Y513 I527 Y540 P541	K490-V511 HydrophobicContact CB-CB 4.33Å; K490-V511 HydrophobicContact CB-CG1 4.37Å; K490-V511 HydrophobicContact CD-CB 4Å; K490-V511 HydrophobicContact CD-CG1 4.23Å; K490-V511 WeakPolarHBondContact CE-O 3.33Å; K490-V511 HydrophobicContact CG-CB 4.15Å; K490-V511 HydrophobicContact CG-CG1 3.96Å; K490-V511 PolarHBondContact NZ-O 2.77Å; L508-V511 HydrophobicContact CB-CB 4.21Å; L508-V511 HydrophobicContact CB-CG2 3.42Å; L508-V511 VanDerWaalsContact CB-CG2 3.42Å; L508-V511 HydrophobicContact CD1-CG2 3.7Å; L508-V511 HydrophobicContact CG-CG2 4.21Å; V511-Y513 HydrophobicContact CG1-CE2 4.44Å; V511-I527 HydrophobicContact CG1-CD1 4.13Å; V511-I527 HydrophobicContact CG1-CG1 4.31Å; V511-I527 HydrophobicContact CG2-CD1 4.17Å; V511-I527 HydrophobicContact CG2-CG1 4.18Å; V511-Y540 HydrophobicContact CB-CD2 4.25Å; V511-Y540 HydrophobicContact CG2-CD1 4.46Å; V511-Y540 HydrophobicContact CG2-CD2 3.26Å; V511-Y540 HydrophobicContact CG2-CE2 3.84Å; V511-Y540 HydrophobicContact CG2-CG 3.61Å; V511-P541 CarbonylContact C-O 3.3Å; V511-P541 WeakPolarHBondContact CA-O 3.45Å
512	V	83.9	Confident	77.1	Confident	21 Å²	21	71 Å²	71	13%	0.127	35%	0.347	C	S	.	.			trans	-104.3	139.2	169.1	-177.7	0	0	0	0	109.7	D510 P541 T543 E551	D510-V512 PolarHBondContact O-N 3.31Å; V512-P541 PolarHBondContact N-O 3.46Å; V512-T543 WeakPolarHBondContact CG2-OG1 3.33Å; V512-E551 HydrophobicContact CG1-CG 4.19Å; V512-E551 VanDerWaalsContact CG1-OE1 3.32Å; V512-E551 WeakPolarHBondContact CG1-OE1 3.39Å
513	Y	76.4	Confident	75.8	Confident	51 Å²	51	69.3 Å²	69.3	20%	0.2	34%	0.337	C	S	.	.			trans	-111.2	161.7	165	-77.4	-59.5	0	0	0	108.6	N485 T489 K490 V511 D515 D526	N485-Y513 PolarHBondContact ND2-OH 2.89Å; N485-Y513 PolarHBondContact OD1-OH 3.04Å; T489-Y513 PolarHBondContact O-OH 3.45Å; K490-Y513 HydrophobicContact CB-CE2 4.31Å; K490-Y513 HydrophobicContact CG-CD2 3.99Å; K490-Y513 HydrophobicContact CG-CE2 3.58Å; V511-Y513 HydrophobicContact CG1-CE2 4.44Å; Y513-D515 PolarHBondContact O-N 2.83Å; Y513-D526 HydrophobicContact CD1-CB 3.97Å; Y513-D526 WeakPolarHBondContact CD1-OD2 3.42Å; Y513-D526 HydrophobicContact CE1-CB 3.87Å
514	E	66.3	Low	74.8	Confident	55 Å²	55	68.3 Å²	68.3	26%	0.257	33%	0.326	S	S	.	.			trans	-76.1	125.3	176	-162.4	-174.9	-178.5	0	0	110.3	T516 R522	E514-T516 PolarHBondContact O-N 2.89Å; E514-T516 VanDerWaalsContact O-N 3.12Å; E514-T516 PolarHBondContact OE1-OG1 3.34Å; E514-R522 IonicContact OE1-CZ 3.52Å; E514-R522 IonicContact OE1-NH2 3.54Å; E514-R522 PolarHBondContact OE1-NH2 3.46Å; E514-R522 IonicContact OE2-CZ 2.64Å; E514-R522 IonicContact OE2-NE 3.12Å; E514-R522 PolarHBondContact OE2-NE 3Å; E514-R522 IonicContact OE2-NH2 2.68Å; E514-R522 PolarHBondContact OE2-NH2 2.68Å
515	D	56	Low	74.1	Confident	165 Å²	165	67.9 Å²	67.9	88%	0.882	32%	0.323	S	S	*	.	S	Bend	trans	-59.2	-23.7	176.4	-71.1	-41.8	0	0	0	112.6	Y513 T517	Y513-D515 PolarHBondContact O-N 2.83Å; D515-T517 VanDerWaalsContact C-N 3.31Å; D515-T517 PolarHBondContact O-N 2.93Å
516	T	49.8	Very low	73.7	Confident	74 Å²	74	62 Å²	62	45%	0.454	30%	0.303	S	S	.	.	S	Bend	trans	-83.4	68.9	-178.3	82.7	0	0	0	0	113.2	E514	E514-T516 PolarHBondContact O-N 2.89Å; E514-T516 VanDerWaalsContact O-N 3.12Å; E514-T516 PolarHBondContact OE1-OG1 3.34Å
517	T	47.3	Very low	73.5	Confident	69 Å²	69	60.1 Å²	60.1	42%	0.423	29%	0.292	S	S	.	.			trans	70.8	105.3	174.7	63.1	0	0	0	0	115.5	D515 W519 K520	D515-T517 VanDerWaalsContact C-N 3.31Å; D515-T517 PolarHBondContact O-N 2.93Å; T517-W519 PolarHBondContact O-N 2.82Å; T517-K520 PolarHBondContact O-N 2.77Å; T517-K520 WeakPolarHBondContact OG1-CD 3.22Å; T517-K520 WeakPolarHBondContact OG1-CE 3.25Å
518	P	51.2	Low	73.6	Confident	71 Å²	71	57.7 Å²	57.7	46%	0.461	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	20.8	179.7	-26.3	36.1	0	0	0	118.1	F488	F488-P518 WeakPolarHBondContact CD1-O 3.49Å
519	W	55.1	Low	73.9	Confident	164 Å²	164	57.7 Å²	57.7	62%	0.621	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.4	-10.5	-173.5	-45.9	86.8	0	0	0	112.4	F488 T517 W521	F488-W519 HydrophobicContact CD1-CD2 4.41Å; F488-W519 HydrophobicContact CD1-CE3 4.14Å; F488-W519 HydrophobicContact CD1-CH2 4.28Å; F488-W519 HydrophobicContact CD1-CZ3 4.09Å; F488-W519 HydrophobicContact CD2-CH2 4.21Å; F488-W519 HydrophobicContact CD2-CZ3 4.21Å; F488-W519 AromaticContact CE1-CD2 3.92Å; F488-W519 HydrophobicContact CE1-CD2 3.92Å; F488-W519 AromaticContact CE1-CE3 3.33Å; F488-W519 HydrophobicContact CE1-CE3 3.33Å; F488-W519 HydrophobicContact CE1-CH2 4.08Å; F488-W519 AromaticContact CE1-CZ3 3.44Å; F488-W519 HydrophobicContact CE1-CZ3 3.44Å; F488-W519 VanDerWaalsContact CE1-CZ3 3.44Å; F488-W519 HydrophobicContact CE2-CE3 4.3Å; F488-W519 AromaticContact CE2-CH2 3.99Å; F488-W519 HydrophobicContact CE2-CH2 3.99Å; F488-W519 AromaticContact CE2-CZ3 3.56Å; F488-W519 HydrophobicContact CE2-CZ3 3.56Å; F488-W519 HydrophobicContact CG-CH2 4.36Å; F488-W519 HydrophobicContact CG-CZ3 4.45Å; F488-W519 HydrophobicContact CZ-CD2 4.43Å; F488-W519 AromaticContact CZ-CE3 3.44Å; F488-W519 HydrophobicContact CZ-CE3 3.44Å; F488-W519 VanDerWaalsContact CZ-CE3 3.44Å; F488-W519 AromaticContact CZ-CH2 3.94Å; F488-W519 HydrophobicContact CZ-CH2 3.94Å; F488-W519 AromaticContact CZ-CZ3 3.14Å; F488-W519 HydrophobicContact CZ-CZ3 3.14Å; T517-W519 PolarHBondContact O-N 2.82Å; W519-W521 PolarHBondContact O-N 3.21Å
520	K	60.8	Low	74.4	Confident	135 Å²	135	51.1 Å²	51.1	59%	0.587	25%	0.249	S	C	*	.			trans	-92.5	79.4	-178	-70.9	-177.6	-178.2	174.3	0	111.5	T517 R522	T517-K520 PolarHBondContact O-N 2.77Å; T517-K520 WeakPolarHBondContact OG1-CD 3.22Å; T517-K520 WeakPolarHBondContact OG1-CE 3.25Å; K520-R522 WeakPolarHBondContact O-CG 3.48Å; K520-R522 PolarHBondContact O-N 3.24Å
521	W	71.9	Confident	74.8	Confident	36 Å²	36	49.2 Å²	49.2	14%	0.136	24%	0.239	C	C	.	.			trans	-63	128.6	165	-173.2	81.5	0	0	0	109.6	E421 Y441 T473 W519 G523 H524 Y627 T629	E421-W521 HydrophobicContact CB-CH2 4.35Å; E421-W521 HydrophobicContact CB-CZ3 4.17Å; E421-W521 HydrophobicContact CG-CE3 4.27Å; E421-W521 HydrophobicContact CG-CH2 4.22Å; E421-W521 HydrophobicContact CG-CZ3 3.62Å; Y441-W521 HydrophobicContact CD1-CB 4.37Å; Y441-W521 HydrophobicContact CD1-CD2 4.03Å; Y441-W521 AromaticContact CD1-CE3 3.77Å; Y441-W521 HydrophobicContact CD1-CE3 3.77Å; Y441-W521 HydrophobicContact CD1-CG 4.3Å; Y441-W521 HydrophobicContact CD1-CZ3 4.46Å; Y441-W521 HydrophobicContact CD2-CB 3.64Å; Y441-W521 HydrophobicContact CD2-CD2 4.43Å; Y441-W521 AromaticContact CD2-CG 3.9Å; Y441-W521 HydrophobicContact CD2-CG 3.9Å; Y441-W521 HydrophobicContact CE1-CB 4.47Å; Y441-W521 HydrophobicContact CE1-CE3 4.29Å; Y441-W521 HydrophobicContact CE2-CB 3.8Å; Y441-W521 HydrophobicContact CG-CB 3.98Å; Y441-W521 AromaticContact CG-CD2 3.87Å; Y441-W521 HydrophobicContact CG-CD2 3.87Å; Y441-W521 HydrophobicContact CG-CE3 4.11Å; Y441-W521 AromaticContact CG-CG 3.81Å; Y441-W521 HydrophobicContact CG-CG 3.81Å; T473-W521 HydrophobicContact CG2-CZ2 3.97Å; W519-W521 PolarHBondContact O-N 3.21Å; W521-G523 VanDerWaalsContact CH2-C 3.45Å; W521-G523 WeakPolarHBondContact CH2-O 3.5Å; W521-G523 VanDerWaalsContact CZ2-O 3.23Å; W521-G523 WeakPolarHBondContact CZ2-O 2.98Å; W521-H524 PolarHBondContact NE1-O 3.49Å; W521-Y627 HydrophobicContact CZ3-CE1 4.47Å; W521-Y627 WeakPolarHBondContact CZ3-OH 3.44Å; W521-T629 HydrophobicContact CH2-CG2 3.6Å; W521-T629 HydrophobicContact CZ3-CG2 4.35Å
522	R	71.2	Confident	75.1	Confident	105 Å²	105	49.2 Å²	49.2	40%	0.396	24%	0.239	S	C	.	.			trans	-105.1	-8.6	-167	-64.6	-167.9	-179.5	-152.5	-2.5	115.6	E514 K520 Y596	E514-R522 IonicContact OE1-CZ 3.52Å; E514-R522 IonicContact OE1-NH2 3.54Å; E514-R522 PolarHBondContact OE1-NH2 3.46Å; E514-R522 IonicContact OE2-CZ 2.64Å; E514-R522 IonicContact OE2-NE 3.12Å; E514-R522 PolarHBondContact OE2-NE 3Å; E514-R522 IonicContact OE2-NH2 2.68Å; E514-R522 PolarHBondContact OE2-NH2 2.68Å; K520-R522 WeakPolarHBondContact O-CG 3.48Å; K520-R522 PolarHBondContact O-N 3.24Å; R522-Y596 WeakPolarHBondContact O-CE2 3.32Å; R522-Y596 VanDerWaalsContact O-CZ 3.28Å; R522-Y596 PolarHBondContact O-OH 3.46Å
523	G	69.8	Low	75.6	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.239	C	C	.	.	S	Bend	trans	133.5	-22.8	-170	0	0	0	0	0	113.5	W521	W521-G523 VanDerWaalsContact CH2-C 3.45Å; W521-G523 WeakPolarHBondContact CH2-O 3.5Å; W521-G523 VanDerWaalsContact CZ2-O 3.23Å; W521-G523 WeakPolarHBondContact CZ2-O 2.98Å
524	H	73.7	Confident	76.3	Confident	16 Å²	16	48.7 Å²	48.7	7%	0.074	24%	0.241	C	C	.	.	S	Bend	trans	-129.9	162.1	178.9	62.1	-107.5	0	0	0	111.6	W521 G581	W521-H524 PolarHBondContact NE1-O 3.49Å; H524-G581 WeakPolarHBondContact CB-O 3.22Å
525	S	83.3	Confident	77.5	Confident	4 Å²	4	46.4 Å²	46.4	3%	0.028	23%	0.232	C	C	.	.			trans	-88.8	141.5	174.4	-52.4	0	0	0	0	111.3	T473 G474 I527	T473-S525 PolarHBondContact N-OG 3.26Å; T473-S525 PolarHBondContact OG1-OG 3.18Å; G474-S525 PolarHBondContact N-OG 3.1Å; S525-I527 WeakPolarHBondContact CB-O 3.29Å
526	D	86.6	Confident	79.5	Confident	42 Å²	42	38.6 Å²	38.6	23%	0.225	19%	0.19	C	C	.	.	S	Bend	trans	-73.2	-36.2	168.8	-78.9	-51.6	0	0	0	111.6	Y513 Y540 P541 R577	Y513-D526 HydrophobicContact CD1-CB 3.97Å; Y513-D526 WeakPolarHBondContact CD1-OD2 3.42Å; Y513-D526 HydrophobicContact CE1-CB 3.87Å; D526-Y540 WeakPolarHBondContact O-CA 3.44Å; D526-P541 WeakPolarHBondContact O-CD 3.26Å; D526-R577 IonicContact OD1-CZ 3.78Å; D526-R577 IonicContact OD1-NE 3.42Å; D526-R577 PolarHBondContact OD1-NE 3.32Å; D526-R577 IonicContact OD1-NH2 3.93Å; D526-R577 PolarHBondContact OD1-NH2 3.2Å; D526-R577 IonicContact OD2-NH2 3.6Å
527	I	92.9	Very high	81.7	Confident	3 Å²	3	35.2 Å²	35.2	2%	0.015	17%	0.169	C	C	.	.	S	Bend	trans	-118.4	121.9	171.8	-66.6	163.6	0	0	0	107.2	N485 I492 L508 V511 S525 F529 V538	N485-I527 HydrophobicContact CB-CB 4.04Å; N485-I527 HydrophobicContact CB-CD1 4.36Å; N485-I527 HydrophobicContact CB-CG2 4.1Å; N485-I527 WeakPolarHBondContact ND2-CD1 3.32Å; I492-I527 HydrophobicContact CG2-CG2 3.95Å; L508-I527 HydrophobicContact CD1-CD1 4.03Å; L508-I527 HydrophobicContact CD1-CG1 4.27Å; L508-I527 HydrophobicContact CD1-CG2 4.23Å; V511-I527 HydrophobicContact CG1-CD1 4.13Å; V511-I527 HydrophobicContact CG1-CG1 4.31Å; V511-I527 HydrophobicContact CG2-CD1 4.17Å; V511-I527 HydrophobicContact CG2-CG1 4.18Å; S525-I527 WeakPolarHBondContact CB-O 3.29Å; I527-F529 HydrophobicContact CG2-CE2 4.45Å; I527-V538 HydrophobicContact CG2-CG2 3.72Å
528	D	94.3	Very high	84.1	Confident	13 Å²	13	32 Å²	32	7%	0.07	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	156.1	178.1	-137.5	-54.1	0	0	0	111	G474 V538 I539	G474-D528 WeakPolarHBondContact CA-OD1 3.47Å; G474-D528 WeakPolarHBondContact CA-OD2 3.17Å; D528-V538 CarbonylContact O-C 3.6Å; D528-V538 VanDerWaalsContact O-CA 3.31Å; D528-V538 WeakPolarHBondContact O-CA 3.45Å; D528-V538 VanDerWaalsContact O-CG2 3.29Å; D528-V538 WeakPolarHBondContact O-CG2 3.47Å; D528-I539 HydrophobicContact CB-CB 4.17Å; D528-I539 PolarHBondContact N-O 3.14Å; D528-I539 PolarHBondContact O-N 3Å
529	F	97.3	Very high	86.2	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	132.1	176.3	-70.4	-101.9	0	0	0	109.2	V476 Y483 Y484 I492 I527 L536 W537 L558	V476-F529 HydrophobicContact CB-CB 4.44Å; V476-F529 HydrophobicContact CG1-CB 4.02Å; V476-F529 WeakPolarHBondContact CG1-O 3.29Å; V476-F529 HydrophobicContact CG2-CB 3.68Å; V476-F529 HydrophobicContact CG2-CG 4.36Å; Y483-F529 HydrophobicContact CD1-CE1 4.46Å; Y484-F529 VanDerWaalsContact C-CE2 3.49Å; I492-F529 HydrophobicContact CB-CE1 4.27Å; I492-F529 HydrophobicContact CB-CZ 3.67Å; I492-F529 HydrophobicContact CG2-CE1 4.18Å; I492-F529 HydrophobicContact CG2-CE2 4.02Å; I492-F529 HydrophobicContact CG2-CZ 3.44Å; I492-F529 VanDerWaalsContact CG2-CZ 3.44Å; I527-F529 HydrophobicContact CG2-CE2 4.45Å; F529-L536 HydrophobicContact CD1-CD1 4.4Å; F529-W537 WeakPolarHBondContact CA-O 3.23Å; F529-L558 HydrophobicContact CD1-CD1 4.24Å; F529-L558 HydrophobicContact CE1-CD1 3.96Å
530	A	97.4	Very high	88.1	Confident	2 Å²	2	21 Å²	21	2%	0.017	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	155.9	174.1	0	0	0	0	0	111.1	W537 I539 I585	A530-W537 HydrophobicContact CB-CB 4.25Å; A530-W537 PolarHBondContact N-O 2.85Å; A530-W537 VanDerWaalsContact N-O 3.14Å; A530-W537 PolarHBondContact O-N 3.5Å; A530-I539 HydrophobicContact CB-CD1 4.15Å; A530-I585 HydrophobicContact CB-CB 3.96Å; A530-I585 HydrophobicContact CB-CD1 4.11Å; A530-I585 HydrophobicContact CB-CG1 4.05Å
531	V	97.1	Very high	89.6	Confident	6 Å²	6	14.6 Å²	14.6	4%	0.036	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	129.5	173.9	179.3	0	0	0	0	108.4	P428 V476 Y478 G535 L536 P635	P428-V531 HydrophobicContact CG-CG1 3.71Å; V476-V531 HydrophobicContact CB-CG2 4.03Å; V476-V531 HydrophobicContact CG1-CG2 4.17Å; V476-V531 HydrophobicContact CG2-CG2 3.91Å; Y478-V531 HydrophobicContact CD2-CB 4.47Å; Y478-V531 HydrophobicContact CD2-CG1 3.5Å; Y478-V531 VanDerWaalsContact CD2-CG1 3.5Å; Y478-V531 HydrophobicContact CD2-CG2 4.08Å; Y478-V531 HydrophobicContact CE2-CG1 3.48Å; Y478-V531 VanDerWaalsContact CE2-CG1 3.48Å; Y478-V531 HydrophobicContact CG-CG1 4.43Å; Y478-V531 HydrophobicContact CG-CG2 4.28Å; V531-G535 WeakPolarHBondContact CA-O 3.5Å; V531-L536 HydrophobicContact CG2-CD1 3.89Å; V531-P635 HydrophobicContact CG1-CG 4.24Å
532	D	95.5	Very high	90.5	Very high	2 Å²	2	12.9 Å²	12.9	1%	0.011	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	-173.5	179.4	77.4	-28.9	0	0	0	110.6	S534 G535 W537 I585 G588	D532-S534 VanDerWaalsContact CG-N 3.26Å; D532-S534 VanDerWaalsContact CG-OG 3.24Å; D532-S534 PolarHBondContact O-N 2.88Å; D532-S534 WeakPolarHBondContact OD1-CA 3.41Å; D532-S534 PolarHBondContact OD1-N 2.87Å; D532-S534 PolarHBondContact OD1-OG 2.79Å; D532-S534 WeakPolarHBondContact OD2-CB 3.49Å; D532-S534 PolarHBondContact OD2-N 2.92Å; D532-S534 PolarHBondContact OD2-OG 3.26Å; D532-G535 PolarHBondContact N-O 2.82Å; D532-G535 PolarHBondContact OD1-N 2.85Å; D532-W537 PolarHBondContact OD1-NE1 2.82Å; D532-W537 PolarHBondContact OD2-NE1 2.93Å; D532-I585 HydrophobicContact CB-CG2 4.16Å; D532-G588 PolarHBondContact OD2-N 2.96Å
533	E	93.3	Very high	91	Very high	25 Å²	25	10.3 Å²	10.3	12%	0.117	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-32.4	172.5	-69.7	72.5	-156.7	0	0	112.6	L399 C401 C587 Y633 P635	L399-E533 HydrophobicContact CB-CB 4.34Å; L399-E533 HydrophobicContact CB-CG 4.22Å; L399-E533 WeakPolarHBondContact O-CB 3.48Å; C401-E533 HydrophobicContact CB-CG 4.36Å; E533-C587 WeakPolarHBondContact OE2-CA 3.13Å; E533-C587 PolarHBondContact OE2-N 2.93Å; E533-Y633 VanDerWaalsContact OE1-CE1 3.24Å; E533-Y633 WeakPolarHBondContact OE1-CE1 3.46Å; E533-Y633 PolarHBondContact OE1-OH 3.29Å; E533-P635 HydrophobicContact CG-CB 4.26Å; E533-P635 WeakPolarHBondContact OE1-CB 3.41Å
534	S	90.6	Very high	91	Very high	36 Å²	36	12.4 Å²	12.4	25%	0.252	7%	0.071	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-17	-169.6	86.2	0	0	0	0	114.4	D532 W537 K557	D532-S534 VanDerWaalsContact CG-N 3.26Å; D532-S534 VanDerWaalsContact CG-OG 3.24Å; D532-S534 PolarHBondContact O-N 2.88Å; D532-S534 WeakPolarHBondContact OD1-CA 3.41Å; D532-S534 PolarHBondContact OD1-N 2.87Å; D532-S534 PolarHBondContact OD1-OG 2.79Å; D532-S534 WeakPolarHBondContact OD2-CB 3.49Å; D532-S534 PolarHBondContact OD2-N 2.92Å; D532-S534 PolarHBondContact OD2-OG 3.26Å; S534-W537 WeakPolarHBondContact OG-CZ2 3.14Å; S534-K557 VanDerWaalsContact C-NZ 3.3Å; S534-K557 WeakPolarHBondContact O-CE 3.41Å; S534-K557 PolarHBondContact O-NZ 3.49Å; S534-K557 PolarHBondContact OG-NZ 2.87Å
535	G	92.9	Very high	90.5	Very high	6 Å²	6	19.7 Å²	19.7	6%	0.062	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	152.7	-142.8	173.4	0	0	0	0	0	115.8	V531 D532	V531-G535 WeakPolarHBondContact CA-O 3.5Å; D532-G535 PolarHBondContact N-O 2.82Å; D532-G535 PolarHBondContact OD1-N 2.85Å
536	L	96.7	Very high	89.4	Confident	1 Å²	1	25.7 Å²	25.7	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	138.6	178.9	177.3	68.6	0	0	0	109.7	V476 Y478 Y483 F529 V531 L558 P560 L563	V476-L536 HydrophobicContact CG2-CD1 3.8Å; Y478-L536 HydrophobicContact CD1-CB 4.27Å; Y478-L536 HydrophobicContact CE1-CB 4.25Å; Y483-L536 HydrophobicContact CD1-CD2 3.66Å; Y483-L536 HydrophobicContact CE1-CD2 3.44Å; Y483-L536 VanDerWaalsContact CE1-CD2 3.44Å; Y483-L536 HydrophobicContact CG-CD2 4.3Å; F529-L536 HydrophobicContact CD1-CD1 4.4Å; V531-L536 HydrophobicContact CG2-CD1 3.89Å; L536-L558 HydrophobicContact CD2-CB 4.14Å; L536-L558 HydrophobicContact CD2-CD1 4.37Å; L536-L558 HydrophobicContact CG-CB 4.23Å; L536-L558 HydrophobicContact CG-CD1 4.49Å; L536-L558 PolarHBondContact O-N 3.45Å; L536-P560 HydrophobicContact CD2-CB 4.17Å; L536-L563 HydrophobicContact CD2-CD2 4.47Å
537	W	97.5	Very high	87.8	Confident	4 Å²	4	34.2 Å²	34.2	2%	0.015	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	160.3	-177	-61	83.1	0	0	0	111.8	F529 A530 D532 S534 S556 K557 W571 I585 T609	F529-W537 WeakPolarHBondContact CA-O 3.23Å; A530-W537 HydrophobicContact CB-CB 4.25Å; A530-W537 PolarHBondContact N-O 2.85Å; A530-W537 VanDerWaalsContact N-O 3.14Å; A530-W537 PolarHBondContact O-N 3.5Å; D532-W537 PolarHBondContact OD1-NE1 2.82Å; D532-W537 PolarHBondContact OD2-NE1 2.93Å; S534-W537 WeakPolarHBondContact OG-CZ2 3.14Å; W537-S556 CarbonylContact C-O 3.59Å; W537-S556 WeakPolarHBondContact CA-O 3.49Å; W537-K557 HydrophobicContact CD2-CB 4.22Å; W537-K557 HydrophobicContact CD2-CG 4.2Å; W537-K557 HydrophobicContact CE3-CB 3.92Å; W537-K557 HydrophobicContact CE3-CG 4.4Å; W537-K557 HydrophobicContact CH2-CB 4.3Å; W537-K557 HydrophobicContact CH2-CD 4.13Å; W537-K557 HydrophobicContact CZ2-CD 3.85Å; W537-K557 HydrophobicContact CZ2-CG 4.3Å; W537-K557 HydrophobicContact CZ3-CB 3.98Å; W537-W571 HydrophobicContact CE3-CZ3 4.46Å; W537-W571 HydrophobicContact CH2-CE3 4.4Å; W537-W571 HydrophobicContact CH2-CH2 4.02Å; W537-W571 AromaticContact CH2-CZ3 3.7Å; W537-W571 HydrophobicContact CH2-CZ3 3.7Å; W537-W571 AromaticContact CZ3-CE3 3.8Å; W537-W571 HydrophobicContact CZ3-CE3 3.8Å; W537-W571 HydrophobicContact CZ3-CH2 4.15Å; W537-W571 AromaticContact CZ3-CZ3 3.35Å; W537-W571 HydrophobicContact CZ3-CZ3 3.35Å; W537-I585 HydrophobicContact CB-CD1 3.78Å; W537-I585 HydrophobicContact CD2-CD1 3.88Å; W537-I585 HydrophobicContact CE3-CD1 4.01Å; W537-I585 HydrophobicContact CG-CD1 3.8Å; W537-T609 HydrophobicContact CH2-CG2 3.98Å; W537-T609 HydrophobicContact CZ3-CG2 4.02Å
538	V	97	Very high	86.3	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	138.6	166.5	65.7	0	0	0	0	109.7	I492 L508 I527 D528 Y540 I555 S556 L558	I492-V538 HydrophobicContact CG2-CG2 4.49Å; L508-V538 HydrophobicContact CD1-CG2 4.08Å; I527-V538 HydrophobicContact CG2-CG2 3.72Å; D528-V538 CarbonylContact O-C 3.6Å; D528-V538 VanDerWaalsContact O-CA 3.31Å; D528-V538 WeakPolarHBondContact O-CA 3.45Å; D528-V538 VanDerWaalsContact O-CG2 3.29Å; D528-V538 WeakPolarHBondContact O-CG2 3.47Å; V538-Y540 HydrophobicContact CG1-CD1 4.1Å; V538-Y540 HydrophobicContact CG1-CE1 4.11Å; V538-Y540 HydrophobicContact CG2-CD1 4.25Å; V538-I555 WeakPolarHBondContact O-CA 3.34Å; V538-S556 PolarHBondContact N-O 2.84Å; V538-S556 PolarHBondContact O-N 3.09Å; V538-L558 HydrophobicContact CB-CD1 3.89Å; V538-L558 HydrophobicContact CB-CG 4.24Å; V538-L558 HydrophobicContact CG1-CD1 4.02Å; V538-L558 HydrophobicContact CG1-CD2 3.88Å; V538-L558 HydrophobicContact CG1-CG 3.92Å
539	I	95.8	Very high	84.8	Confident	5 Å²	5	42.2 Å²	42.2	3%	0.026	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	126.7	-178.7	-51.7	173.6	0	0	0	106.9	D528 A530 I553 I555 C583 I585 L590	D528-I539 HydrophobicContact CB-CB 4.17Å; D528-I539 PolarHBondContact N-O 3.14Å; D528-I539 PolarHBondContact O-N 3Å; A530-I539 HydrophobicContact CB-CD1 4.15Å; I539-I553 HydrophobicContact CG2-CG2 3.57Å; I539-I555 HydrophobicContact CB-CG2 4.35Å; I539-I555 HydrophobicContact CG1-CG2 4.03Å; I539-I555 HydrophobicContact CG2-CG2 4.07Å; I539-C583 HydrophobicContact CD1-CB 4.03Å; I539-C583 HydrophobicContact CG2-CB 4.41Å; I539-I585 HydrophobicContact CD1-CD1 4.19Å; I539-I585 HydrophobicContact CD1-CG1 4.2Å; I539-I585 HydrophobicContact CG1-CD1 4.15Å; I539-L590 HydrophobicContact CD1-CD1 3.82Å; I539-L590 HydrophobicContact CG1-CD1 4.45Å
540	Y	93.9	Very high	83.6	Confident	1 Å²	1	46.3 Å²	46.3	0%	0.004	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	153.1	-177.1	64.3	-91.1	0	0	0	113.9	L508 D510 V511 D526 V538 A542 V554 M565	L508-Y540 HydrophobicContact CD1-CD1 4.22Å; L508-Y540 HydrophobicContact CD1-CG 4.48Å; D510-Y540 WeakPolarHBondContact OD1-CE2 3.17Å; D510-Y540 PolarHBondContact OD1-OH 2.88Å; D510-Y540 VanDerWaalsContact OD1-OH 3.11Å; D510-Y540 WeakPolarHBondContact OD2-CE2 3.43Å; D510-Y540 PolarHBondContact OD2-OH 3.18Å; V511-Y540 HydrophobicContact CB-CD2 4.25Å; V511-Y540 HydrophobicContact CG2-CD1 4.46Å; V511-Y540 HydrophobicContact CG2-CD2 3.26Å; V511-Y540 HydrophobicContact CG2-CE2 3.84Å; V511-Y540 HydrophobicContact CG2-CG 3.61Å; D526-Y540 WeakPolarHBondContact O-CA 3.44Å; V538-Y540 HydrophobicContact CG1-CD1 4.1Å; V538-Y540 HydrophobicContact CG1-CE1 4.11Å; V538-Y540 HydrophobicContact CG2-CD1 4.25Å; Y540-A542 HydrophobicContact CD2-CB 4.39Å; Y540-A542 HydrophobicContact CE2-CB 4.05Å; Y540-V554 HydrophobicContact CD2-CB 4.26Å; Y540-V554 HydrophobicContact CE1-CB 4.31Å; Y540-V554 HydrophobicContact CE1-CG1 4.15Å; Y540-V554 HydrophobicContact CE2-CB 3.89Å; Y540-V554 HydrophobicContact CE2-CG1 4.15Å; Y540-V554 HydrophobicContact CE2-CG2 4.38Å; Y540-V554 PolarHBondContact N-O 3.03Å; Y540-V554 PolarHBondContact O-N 3.49Å; Y540-M565 HydrophobicContact CE1-CE 4.1Å; Y540-M565 WeakPolarHBondContact OH-CE 3.19Å
541	P	92.2	Very high	83	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	136.1	172.1	31.8	-32.2	0	0	0	111.1	V511 V512 D526 V552 I553 R577	V511-P541 CarbonylContact C-O 3.3Å; V511-P541 WeakPolarHBondContact CA-O 3.45Å; V512-P541 PolarHBondContact N-O 3.46Å; D526-P541 WeakPolarHBondContact O-CD 3.26Å; P541-V552 CarbonylContact C-O 3.6Å; P541-V552 WeakPolarHBondContact CA-O 3.48Å; P541-I553 HydrophobicContact CB-CD1 3.75Å; P541-R577 HydrophobicContact CB-CB 4.13Å; P541-R577 HydrophobicContact CB-CG 3.82Å; P541-R577 HydrophobicContact CG-CG 4.21Å
542	A	90.6	Very high	82.7	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	156.7	170.9	0	0	0	0	0	110.8	D510 Y540 E551 V552 V554	D510-A542 HydrophobicContact CB-CB 4.32Å; D510-A542 WeakPolarHBondContact O-CA 3.23Å; D510-A542 WeakPolarHBondContact O-CB 3.2Å; Y540-A542 HydrophobicContact CD2-CB 4.39Å; Y540-A542 HydrophobicContact CE2-CB 4.05Å; A542-E551 WeakPolarHBondContact O-CA 3.38Å; A542-V552 PolarHBondContact N-O 3.23Å; A542-V552 PolarHBondContact O-N 2.85Å; A542-V554 HydrophobicContact CB-CB 4.49Å; A542-V554 HydrophobicContact CB-CG2 3.49Å; A542-V554 VanDerWaalsContact CB-CG2 3.49Å
543	T	83.1	Confident	82.6	Confident	50 Å²	50	49.7 Å²	49.7	31%	0.307	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	135.4	172.4	-35.1	0	0	0	0	110.1	V512 R572	V512-T543 WeakPolarHBondContact CG2-OG1 3.33Å; T543-R572 PolarHBondContact O-NH1 3.42Å; T543-R572 PolarHBondContact O-NH2 2.89Å; T543-R572 VanDerWaalsContact O-NH2 3.12Å
544	D	68.8	Low	82.7	Confident	44 Å²	44	48.5 Å²	48.5	24%	0.235	23%	0.234	C	C	.	.			trans	-62.7	147.8	164.8	-179.9	31.3	0	0	0	112.2	D546 S548 Q550	D544-D546 PolarHBondContact OD1-N 3.07Å; D544-S548 WeakPolarHBondContact CB-OG 3.49Å; D544-S548 WeakPolarHBondContact OD2-CB 3.36Å; D544-S548 PolarHBondContact OD2-OG 3.22Å; D544-Q550 VanDerWaalsContact CB-O 3.29Å; D544-Q550 WeakPolarHBondContact CB-O 3.31Å; D544-Q550 PolarHBondContact N-O 3.43Å
545	Y	63.2	Low	82.9	Confident	169 Å²	169	46.9 Å²	46.9	66%	0.663	22%	0.222	S	C	*	.	S	Bend	trans	-84.3	-25.7	179.5	-67.6	-69.4	0	0	0	112.8	Y547	Y545-Y547 PolarHBondContact O-N 3.17Å
546	D	59.8	Low	83.1	Confident	130 Å²	130	46.6 Å²	46.6	70%	0.695	22%	0.219	S	C	*	.	S	Bend	trans	-83.6	46.6	-165.4	-75.2	1.4	0	0	0	113.6	D544 S548	D544-D546 PolarHBondContact OD1-N 3.07Å; D546-S548 PolarHBondContact O-N 3.01Å
547	Y	53.5	Low	83	Confident	221 Å²	221	48.7 Å²	48.7	87%	0.867	23%	0.228	S	C	*	.	S	Bend	trans	58.6	-5.5	178.4	-58.6	-89.3	0	0	0	116.2	Y545 Q549	Y545-Y547 PolarHBondContact O-N 3.17Å; Y547-Q549 VanDerWaalsContact C-N 3.27Å; Y547-Q549 PolarHBondContact O-N 3.06Å
548	S	61.2	Low	83	Confident	46 Å²	46	48.8 Å²	48.8	32%	0.322	23%	0.229	S	C	.	.	S	Bend	trans	-68.4	-23	-174.5	75.3	0	0	0	0	114.1	D544 D546 Q550	D544-S548 WeakPolarHBondContact CB-OG 3.49Å; D544-S548 WeakPolarHBondContact OD2-CB 3.36Å; D544-S548 PolarHBondContact OD2-OG 3.22Å; D546-S548 PolarHBondContact O-N 3.01Å; S548-Q550 PolarHBondContact O-N 3.33Å; S548-Q550 VanDerWaalsContact O-N 3.16Å; S548-Q550 PolarHBondContact OG-N 3.46Å; S548-Q550 VanDerWaalsContact OG-N 3.11Å
549	Q	62.4	Low	82.8	Confident	139 Å²	139	52.1 Å²	52.1	65%	0.65	25%	0.247	S	C	*	.			trans	52.6	22.9	-168.2	-60.8	-63.5	-72.4	0	0	113.6	Y547	Y547-Q549 VanDerWaalsContact C-N 3.27Å; Y547-Q549 PolarHBondContact O-N 3.06Å
550	Q	73.1	Confident	82.7	Confident	85 Å²	85	53.4 Å²	53.4	40%	0.397	26%	0.255	S	S	.	.			trans	-79.7	132.5	178.2	-67.1	-177.6	39.4	0	0	110.4	D544 S548 V552	D544-Q550 VanDerWaalsContact CB-O 3.29Å; D544-Q550 WeakPolarHBondContact CB-O 3.31Å; D544-Q550 PolarHBondContact N-O 3.43Å; S548-Q550 PolarHBondContact O-N 3.33Å; S548-Q550 VanDerWaalsContact O-N 3.16Å; S548-Q550 PolarHBondContact OG-N 3.46Å; S548-Q550 VanDerWaalsContact OG-N 3.11Å; Q550-V552 PolarHBondContact O-N 3.22Å
551	E	85.4	Confident	82.6	Confident	64 Å²	64	55.3 Å²	55.3	30%	0.299	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	109.3	176	-64.1	174.4	-179.8	0	0	108.3	V512 A542 R577	V512-E551 HydrophobicContact CG1-CG 4.19Å; V512-E551 VanDerWaalsContact CG1-OE1 3.32Å; V512-E551 WeakPolarHBondContact CG1-OE1 3.39Å; A542-E551 WeakPolarHBondContact O-CA 3.38Å; E551-R577 HydrophobicContact CB-CB 3.85Å; E551-R577 PolarHBondContact O-N 3.47Å; E551-R577 IonicContact OE1-NH1 2.77Å; E551-R577 WeakPolarHBondContact OE2-CD 3.25Å; E551-R577 IonicContact OE2-CZ 3.66Å; E551-R577 IonicContact OE2-NE 2.79Å; E551-R577 IonicContact OE2-NH1 3.03Å; E551-R577 PolarHBondContact OE2-NH1 3.09Å
552	V	91.1	Very high	82.5	Confident	18 Å²	18	59.6 Å²	59.6	11%	0.109	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	150.6	-176.8	-66.2	0	0	0	0	110.7	P541 A542 Q550 L575	P541-V552 CarbonylContact C-O 3.6Å; P541-V552 WeakPolarHBondContact CA-O 3.48Å; A542-V552 PolarHBondContact N-O 3.23Å; A542-V552 PolarHBondContact O-N 2.85Å; Q550-V552 PolarHBondContact O-N 3.22Å; V552-L575 CarbonylContact C-O 3.42Å; V552-L575 WeakPolarHBondContact CA-O 3.3Å
553	I	93.1	Very high	82.7	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	132.4	177.8	-58.3	-48.4	0	0	0	110.3	I539 P541 T573 L575 R577 Y580	I539-I553 HydrophobicContact CG2-CG2 3.57Å; P541-I553 HydrophobicContact CB-CD1 3.75Å; I553-T573 WeakPolarHBondContact O-CB 3.45Å; I553-T573 PolarHBondContact O-N 2.99Å; I553-T573 PolarHBondContact O-OG1 3.14Å; I553-L575 HydrophobicContact CB-CB 4.28Å; I553-L575 HydrophobicContact CB-CD2 4.24Å; I553-L575 HydrophobicContact CB-CG 4.45Å; I553-L575 HydrophobicContact CG1-CB 4.37Å; I553-L575 HydrophobicContact CG1-CD2 3.98Å; I553-L575 HydrophobicContact CG1-CG 4.08Å; I553-L575 PolarHBondContact N-O 2.89Å; I553-R577 HydrophobicContact CD1-CB 4.48Å; I553-Y580 HydrophobicContact CD1-CE1 3.64Å; I553-Y580 WeakPolarHBondContact CD1-OH 3.37Å; I553-Y580 HydrophobicContact CG1-CD1 4.31Å; I553-Y580 HydrophobicContact CG1-CE1 3.57Å
554	V	94.5	Very high	83.2	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	133.8	178	-175.9	0	0	0	0	107.5	Y540 A542 T570 W571 R572	Y540-V554 HydrophobicContact CD2-CB 4.26Å; Y540-V554 HydrophobicContact CE1-CB 4.31Å; Y540-V554 HydrophobicContact CE1-CG1 4.15Å; Y540-V554 HydrophobicContact CE2-CB 3.89Å; Y540-V554 HydrophobicContact CE2-CG1 4.15Å; Y540-V554 HydrophobicContact CE2-CG2 4.38Å; Y540-V554 PolarHBondContact N-O 3.03Å; Y540-V554 PolarHBondContact O-N 3.49Å; A542-V554 HydrophobicContact CB-CB 4.49Å; A542-V554 HydrophobicContact CB-CG2 3.49Å; A542-V554 VanDerWaalsContact CB-CG2 3.49Å; V554-T570 HydrophobicContact CG1-CG2 3.55Å; V554-W571 WeakPolarHBondContact CA-O 3.35Å; V554-W571 WeakPolarHBondContact CG1-O 3.5Å; V554-R572 HydrophobicContact CG1-CG 4.41Å; V554-R572 HydrophobicContact CG2-CG 4Å
555	I	95.9	Very high	84.3	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.005	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	130.6	173.8	59.8	-174.1	0	0	0	108.7	V538 I539 T570 W571 T573 I585 L590 Y607 T609	V538-I555 WeakPolarHBondContact O-CA 3.34Å; I539-I555 HydrophobicContact CB-CG2 4.35Å; I539-I555 HydrophobicContact CG1-CG2 4.03Å; I539-I555 HydrophobicContact CG2-CG2 4.07Å; I555-T570 CarbonylContact O-C 3.57Å; I555-T570 WeakPolarHBondContact O-CA 3.31Å; I555-W571 HydrophobicContact CD1-CB 4.42Å; I555-W571 HydrophobicContact CG1-CB 3.85Å; I555-W571 PolarHBondContact N-O 2.77Å; I555-W571 PolarHBondContact O-N 2.71Å; I555-T573 HydrophobicContact CD1-CG2 4.32Å; I555-T573 HydrophobicContact CG1-CG2 4.41Å; I555-I585 HydrophobicContact CG2-CD1 4.45Å; I555-L590 HydrophobicContact CD1-CB 3.9Å; I555-L590 HydrophobicContact CD1-CD2 4.37Å; I555-L590 HydrophobicContact CG2-CD1 4.11Å; I555-L590 HydrophobicContact CG2-CD2 3.85Å; I555-L590 HydrophobicContact CG2-CG 4.4Å; I555-Y607 HydrophobicContact CD1-CD1 3.89Å; I555-Y607 HydrophobicContact CD1-CE1 4.41Å; I555-T609 HydrophobicContact CD1-CG2 3.5Å; I555-T609 VanDerWaalsContact CD1-CG2 3.5Å; I555-T609 HydrophobicContact CG1-CG2 4.2Å
556	S	95.9	Very high	85.6	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	134.3	-178.4	-168.3	0	0	0	0	110.6	W537 V538 M565 T569 T570	W537-S556 CarbonylContact C-O 3.59Å; W537-S556 WeakPolarHBondContact CA-O 3.49Å; V538-S556 PolarHBondContact N-O 2.84Å; V538-S556 PolarHBondContact O-N 3.09Å; S556-M565 WeakPolarHBondContact OG-CE 3.5Å; S556-T569 WeakPolarHBondContact CA-O 3.38Å; S556-T569 PolarHBondContact OG-O 2.78Å; S556-T570 PolarHBondContact OG-OG1 2.92Å
557	K	96.1	Very high	86.9	Confident	46 Å²	46	59.6 Å²	59.6	20%	0.2	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	127.3	174.8	-162.6	166.4	-177.1	161	0	109.3	S534 W537 T569 W571	S534-K557 VanDerWaalsContact C-NZ 3.3Å; S534-K557 WeakPolarHBondContact O-CE 3.41Å; S534-K557 PolarHBondContact O-NZ 3.49Å; S534-K557 PolarHBondContact OG-NZ 2.87Å; W537-K557 HydrophobicContact CD2-CB 4.22Å; W537-K557 HydrophobicContact CD2-CG 4.2Å; W537-K557 HydrophobicContact CE3-CB 3.92Å; W537-K557 HydrophobicContact CE3-CG 4.4Å; W537-K557 HydrophobicContact CH2-CB 4.3Å; W537-K557 HydrophobicContact CH2-CD 4.13Å; W537-K557 HydrophobicContact CZ2-CD 3.85Å; W537-K557 HydrophobicContact CZ2-CG 4.3Å; W537-K557 HydrophobicContact CZ3-CB 3.98Å; K557-T569 PolarHBondContact N-O 3.19Å; K557-T569 PolarHBondContact O-OG1 2.82Å; K557-W571 HydrophobicContact CB-CZ3 4.3Å
558	L	95.8	Very high	88.6	Confident	5 Å²	5	56.2 Å²	56.2	3%	0.026	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	140	-177.5	-64.1	-178.2	0	0	0	111	I492 F529 L536 V538 P560 L563 M565	I492-L558 HydrophobicContact CD1-CD1 3.7Å; I492-L558 HydrophobicContact CD1-CD2 4.08Å; F529-L558 HydrophobicContact CD1-CD1 4.24Å; F529-L558 HydrophobicContact CE1-CD1 3.96Å; L536-L558 HydrophobicContact CD2-CB 4.14Å; L536-L558 HydrophobicContact CD2-CD1 4.37Å; L536-L558 HydrophobicContact CG-CB 4.23Å; L536-L558 HydrophobicContact CG-CD1 4.49Å; L536-L558 PolarHBondContact O-N 3.45Å; V538-L558 HydrophobicContact CB-CD1 3.89Å; V538-L558 HydrophobicContact CB-CG 4.24Å; V538-L558 HydrophobicContact CG1-CD1 4.02Å; V538-L558 HydrophobicContact CG1-CD2 3.88Å; V538-L558 HydrophobicContact CG1-CG 3.92Å; L558-P560 WeakPolarHBondContact O-CD 3.32Å; L558-L563 HydrophobicContact CD1-CD2 4.3Å; L558-M565 HydrophobicContact CD2-CB 4.06Å
559	D	94.4	Very high	90.1	Very high	71 Å²	71	55.8 Å²	55.8	38%	0.38	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-71.5	118.2	162.7	-165.7	-54.2	0	0	0	109.1	G561 L563 S564	D559-G561 PolarHBondContact O-N 3.39Å; D559-G561 VanDerWaalsContact O-N 3.09Å; D559-G561 WeakPolarHBondContact OD1-CA 3.08Å; D559-G561 PolarHBondContact OD1-N 2.99Å; D559-L563 WeakPolarHBondContact O-CA 3.42Å; D559-L563 PolarHBondContact O-N 3.22Å; D559-S564 WeakPolarHBondContact CB-OG 3.24Å; D559-S564 PolarHBondContact N-O 2.86Å
560	P	92.6	Very high	91.6	Very high	31 Å²	31	51 Å²	51	20%	0.201	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-3.6	-179.5	31.8	-37.1	0	0	0	112.6	Y478 Y483 K494 L536 L558	Y478-P560 HydrophobicContact CD1-CB 4.1Å; Y478-P560 HydrophobicContact CE1-CB 3.96Å; Y478-P560 HydrophobicContact CE1-CG 4.2Å; Y483-P560 PolarHBondContact OH-O 3.05Å; K494-P560 WeakPolarHBondContact CE-O 2.9Å; K494-P560 PolarHBondContact NZ-O 3.35Å; L536-P560 HydrophobicContact CD2-CB 4.17Å; L558-P560 WeakPolarHBondContact O-CD 3.32Å
561	G	91.1	Very high	92.6	Very high	42 Å²	42	48.7 Å²	48.7	43%	0.433	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-62.6	170.8	0	0	0	0	0	112.4	K494 D559	K494-G561 PolarHBondContact NZ-O 3.31Å; D559-G561 PolarHBondContact O-N 3.39Å; D559-G561 VanDerWaalsContact O-N 3.09Å; D559-G561 WeakPolarHBondContact OD1-CA 3.08Å; D559-G561 PolarHBondContact OD1-N 2.99Å
562	D	91.9	Very high	92.9	Very high	90 Å²	90	49 Å²	49	48%	0.481	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.4	-2.5	-168.7	67.9	-8.9	0	0	0	115.1	S564	D562-S564 VanDerWaalsContact C-N 3.27Å; D562-S564 WeakPolarHBondContact OD1-CB 3.22Å; D562-S564 PolarHBondContact OD1-N 3.19Å; D562-S564 PolarHBondContact OD1-OG 3.22Å; D562-S564 PolarHBondContact OD2-OG 2.85Å
563	L	94.8	Very high	93	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	25%	0.246	C	C	.	.			trans	66	20.6	-170.7	-51	176	0	0	0	114.4	Y483 I492 K494 A504 T506 L536 L558 D559	Y483-L563 HydrophobicContact CD1-CD2 3.74Å; Y483-L563 HydrophobicContact CE1-CD2 3.71Å; I492-L563 HydrophobicContact CD1-CB 4.17Å; I492-L563 HydrophobicContact CD1-CD1 4.34Å; I492-L563 HydrophobicContact CG1-CD1 4.21Å; K494-L563 HydrophobicContact CB-CD1 3.95Å; K494-L563 HydrophobicContact CB-CD2 4.18Å; K494-L563 HydrophobicContact CB-CG 4.19Å; A504-L563 HydrophobicContact CB-CD1 4.31Å; A504-L563 HydrophobicContact CB-CG 4.16Å; T506-L563 HydrophobicContact CG2-CB 3.81Å; T506-L563 WeakPolarHBondContact CG2-O 3.31Å; L536-L563 HydrophobicContact CD2-CD2 4.47Å; L558-L563 HydrophobicContact CD1-CD2 4.3Å; D559-L563 WeakPolarHBondContact O-CA 3.42Å; D559-L563 PolarHBondContact O-N 3.22Å
564	S	92.5	Very high	92.9	Very high	40 Å²	40	50.3 Å²	50.3	28%	0.28	27%	0.266	S	S	.	.			trans	-64.9	143.3	171.6	60.1	0	0	0	0	111.4	D559 D562	D559-S564 WeakPolarHBondContact CB-OG 3.24Å; D559-S564 PolarHBondContact N-O 2.86Å; D562-S564 VanDerWaalsContact C-N 3.27Å; D562-S564 WeakPolarHBondContact OD1-CB 3.22Å; D562-S564 PolarHBondContact OD1-N 3.19Å; D562-S564 PolarHBondContact OD1-OG 3.22Å; D562-S564 PolarHBondContact OD2-OG 2.85Å
565	M	91.7	Very high	92.7	Very high	58 Å²	58	50.6 Å²	50.6	29%	0.286	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	142.6	175.3	68.6	-161.8	-53.6	0	0	108.9	L508 Y540 S556 L558	L508-M565 HydrophobicContact CD2-CE 3.92Å; L508-M565 HydrophobicContact CD2-SD 3.7Å; Y540-M565 HydrophobicContact CE1-CE 4.1Å; Y540-M565 WeakPolarHBondContact OH-CE 3.19Å; S556-M565 WeakPolarHBondContact OG-CE 3.5Å; L558-M565 HydrophobicContact CD2-CB 4.06Å
566	K	90.6	Very high	92.4	Very high	116 Å²	116	55.4 Å²	55.4	50%	0.504	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	147.6	-177.7	-65.5	168.9	-172.9	158.8	0	109.7	E568 T569 T570	K566-E568 PolarHBondContact O-N 2.89Å; K566-T569 CarbonylContact O-C 3.51Å; K566-T569 VanDerWaalsContact O-C 3.3Å; K566-T569 PolarHBondContact O-N 3.1Å; K566-T569 PolarHBondContact O-OG1 2.9Å; K566-T570 PolarHBondContact O-N 2.76Å; K566-T570 PolarHBondContact O-OG1 3.32Å
567	K	87.2	Confident	91.8	Very high	178 Å²	178	56.4 Å²	56.4	77%	0.774	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.4	-33.8	-178.7	-172.8	-178	177	-173.9	0	111	T569 T570	K567-T569 PolarHBondContact O-N 3.15Å; K567-T570 PolarHBondContact O-N 3.5Å
568	E	89.3	Confident	91.2	Very high	150 Å²	150	58.3 Å²	58.3	70%	0.701	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72	-10.8	177.1	-54.4	68.6	-147.8	0	0	112.4	K566	K566-E568 PolarHBondContact O-N 2.89Å
569	T	91.8	Very high	90.7	Very high	37 Å²	37	60.7 Å²	60.7	23%	0.227	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	36.2	176.1	70.8	0	0	0	0	111.5	S556 K557 K566 K567 W571	S556-T569 WeakPolarHBondContact CA-O 3.38Å; S556-T569 PolarHBondContact OG-O 2.78Å; K557-T569 PolarHBondContact N-O 3.19Å; K557-T569 PolarHBondContact O-OG1 2.82Å; K566-T569 CarbonylContact O-C 3.51Å; K566-T569 VanDerWaalsContact O-C 3.3Å; K566-T569 PolarHBondContact O-N 3.1Å; K566-T569 PolarHBondContact O-OG1 2.9Å; K567-T569 PolarHBondContact O-N 3.15Å; T569-W571 VanDerWaalsContact C-CE3 3.45Å; T569-W571 VanDerWaalsContact CA-CZ3 3.42Å; T569-W571 HydrophobicContact CG2-CH2 4.42Å; T569-W571 VanDerWaalsContact O-CZ3 3.22Å; T569-W571 WeakPolarHBondContact O-CZ3 3.44Å
570	T	94.3	Very high	90.4	Very high	37 Å²	37	57.9 Å²	57.9	23%	0.227	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	112	175.9	-58.5	0	0	0	0	109.1	V554 I555 S556 K566 K567	V554-T570 HydrophobicContact CG1-CG2 3.55Å; I555-T570 CarbonylContact O-C 3.57Å; I555-T570 WeakPolarHBondContact O-CA 3.31Å; S556-T570 PolarHBondContact OG-OG1 2.92Å; K566-T570 PolarHBondContact O-N 2.76Å; K566-T570 PolarHBondContact O-OG1 3.32Å; K567-T570 PolarHBondContact O-N 3.5Å
571	W	94.5	Very high	90.2	Very high	38 Å²	38	56.4 Å²	56.4	14%	0.144	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	137.3	-174.7	-63.4	-101.4	0	0	0	110.5	W537 V554 I555 K557 T569 Y607 T609 N612	W537-W571 HydrophobicContact CE3-CZ3 4.46Å; W537-W571 HydrophobicContact CH2-CE3 4.4Å; W537-W571 HydrophobicContact CH2-CH2 4.02Å; W537-W571 AromaticContact CH2-CZ3 3.7Å; W537-W571 HydrophobicContact CH2-CZ3 3.7Å; W537-W571 AromaticContact CZ3-CE3 3.8Å; W537-W571 HydrophobicContact CZ3-CE3 3.8Å; W537-W571 HydrophobicContact CZ3-CH2 4.15Å; W537-W571 AromaticContact CZ3-CZ3 3.35Å; W537-W571 HydrophobicContact CZ3-CZ3 3.35Å; V554-W571 WeakPolarHBondContact CA-O 3.35Å; V554-W571 WeakPolarHBondContact CG1-O 3.5Å; I555-W571 HydrophobicContact CD1-CB 4.42Å; I555-W571 HydrophobicContact CG1-CB 3.85Å; I555-W571 PolarHBondContact N-O 2.77Å; I555-W571 PolarHBondContact O-N 2.71Å; K557-W571 HydrophobicContact CB-CZ3 4.3Å; T569-W571 VanDerWaalsContact C-CE3 3.45Å; T569-W571 VanDerWaalsContact CA-CZ3 3.42Å; T569-W571 HydrophobicContact CG2-CH2 4.42Å; T569-W571 VanDerWaalsContact O-CZ3 3.22Å; T569-W571 WeakPolarHBondContact O-CZ3 3.44Å; W571-Y607 HydrophobicContact CB-CE1 3.71Å; W571-Y607 AromaticContact CD1-CE1 3.9Å; W571-Y607 HydrophobicContact CG-CE1 4.04Å; W571-T609 HydrophobicContact CB-CG2 4.41Å; W571-T609 HydrophobicContact CD2-CG2 3.58Å; W571-T609 HydrophobicContact CE3-CG2 3.81Å; W571-T609 HydrophobicContact CG-CG2 3.85Å; W571-T609 HydrophobicContact CZ2-CG2 4.34Å; W571-T609 HydrophobicContact CZ3-CG2 4.28Å; W571-T609 PolarHBondContact NE1-O 3.34Å; W571-N612 PolarHBondContact NE1-OD1 3.39Å; W571-N612 VanDerWaalsContact NE1-OD1 3.14Å
572	R	92.1	Very high	90.3	Very high	70 Å²	70	54.7 Å²	54.7	26%	0.264	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	129.5	173.1	-63.7	-167.1	151.9	-139.2	-9.8	108.7	D510 T543 V554 Y607	D510-R572 IonicContact OD2-NH2 2.65Å; T543-R572 PolarHBondContact O-NH1 3.42Å; T543-R572 PolarHBondContact O-NH2 2.89Å; T543-R572 VanDerWaalsContact O-NH2 3.12Å; V554-R572 HydrophobicContact CG1-CG 4.41Å; V554-R572 HydrophobicContact CG2-CG 4Å; R572-Y607 PolarHBondContact O-OH 3.46Å
573	T	93.2	Very high	90.4	Very high	6 Å²	6	50.6 Å²	50.6	4%	0.037	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	156.6	-174.9	75.6	0	0	0	0	110.7	I553 I555 L575 L590 Y605 Y607	I553-T573 WeakPolarHBondContact O-CB 3.45Å; I553-T573 PolarHBondContact O-N 2.99Å; I553-T573 PolarHBondContact O-OG1 3.14Å; I555-T573 HydrophobicContact CD1-CG2 4.32Å; I555-T573 HydrophobicContact CG1-CG2 4.41Å; T573-L575 PolarHBondContact O-N 2.73Å; T573-L575 WeakPolarHBondContact OG1-CB 3.36Å; T573-L575 PolarHBondContact OG1-N 2.75Å; T573-L590 HydrophobicContact CG2-CD2 4.11Å; T573-Y605 WeakPolarHBondContact CB-OH 3.3Å; T573-Y607 HydrophobicContact CG2-CD1 3.99Å; T573-Y607 HydrophobicContact CG2-CD2 3.58Å; T573-Y607 HydrophobicContact CG2-CE1 4.4Å; T573-Y607 HydrophobicContact CG2-CE2 4.02Å; T573-Y607 HydrophobicContact CG2-CG 3.57Å
574	G	90.6	Very high	90.5	Very high	39 Å²	39	50.6 Å²	50.6	40%	0.402	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	-7.5	169.7	0	0	0	0	0	114.8	K576 Y605 E614	G574-K576 PolarHBondContact O-N 3.43Å; G574-Y605 PolarHBondContact N-OH 3.25Å; G574-Y605 VanDerWaalsContact N-OH 3.13Å; G574-E614 WeakPolarHBondContact CA-OE2 3.42Å; G574-E614 PolarHBondContact N-OE1 2.79Å; G574-E614 PolarHBondContact N-OE2 3.13Å
575	L	90.7	Very high	90.7	Very high	6 Å²	6	48.7 Å²	48.7	3%	0.031	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	128.7	176.9	-174.9	66.2	0	0	0	110.7	V552 I553 T573 S579 Y580 A592 Y605	V552-L575 CarbonylContact C-O 3.42Å; V552-L575 WeakPolarHBondContact CA-O 3.3Å; I553-L575 HydrophobicContact CB-CB 4.28Å; I553-L575 HydrophobicContact CB-CD2 4.24Å; I553-L575 HydrophobicContact CB-CG 4.45Å; I553-L575 HydrophobicContact CG1-CB 4.37Å; I553-L575 HydrophobicContact CG1-CD2 3.98Å; I553-L575 HydrophobicContact CG1-CG 4.08Å; I553-L575 PolarHBondContact N-O 2.89Å; T573-L575 PolarHBondContact O-N 2.73Å; T573-L575 WeakPolarHBondContact OG1-CB 3.36Å; T573-L575 PolarHBondContact OG1-N 2.75Å; L575-S579 WeakPolarHBondContact CD1-OG 3.39Å; L575-Y580 HydrophobicContact CD1-CD1 4.37Å; L575-Y580 HydrophobicContact CD2-CD1 3.84Å; L575-Y580 HydrophobicContact CD2-CE1 4.42Å; L575-Y580 HydrophobicContact CD2-CG 4.17Å; L575-Y580 HydrophobicContact CG-CD1 4.05Å; L575-A592 HydrophobicContact CD1-CB 4.39Å; L575-A592 HydrophobicContact CD2-CB 3.73Å; L575-Y605 HydrophobicContact CB-CD1 3.95Å; L575-Y605 HydrophobicContact CB-CE1 3.61Å; L575-Y605 HydrophobicContact CB-CE2 4.5Å; L575-Y605 HydrophobicContact CD1-CD1 4.06Å; L575-Y605 HydrophobicContact CD1-CG 4.08Å; L575-Y605 HydrophobicContact CD2-CD1 4.18Å; L575-Y605 HydrophobicContact CD2-CE1 4.44Å; L575-Y605 HydrophobicContact CG-CD1 4.3Å; L575-Y605 HydrophobicContact CG-CE1 4.43Å; L575-Y605 PolarHBondContact N-OH 2.79Å
576	K	89.4	Confident	90.9	Very high	102 Å²	102	46 Å²	46	44%	0.443	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	146.5	-177.7	-57.1	-168.7	-175.2	-163.2	0	110.5	G574 N578 S579	G574-K576 PolarHBondContact O-N 3.43Å; K576-N578 PolarHBondContact O-N 3.2Å; K576-S579 PolarHBondContact N-OG 3.13Å; K576-S579 PolarHBondContact O-N 2.82Å; K576-S579 VanDerWaalsContact O-N 3.09Å; K576-S579 PolarHBondContact O-OG 3.26Å
577	R	84	Confident	91.1	Very high	22 Å²	22	40.7 Å²	40.7	8%	0.083	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	139	171.7	-163.4	-166.8	-178.1	-164.1	-0.1	110.1	D526 P541 E551 I553 S579	D526-R577 IonicContact OD1-CZ 3.78Å; D526-R577 IonicContact OD1-NE 3.42Å; D526-R577 PolarHBondContact OD1-NE 3.32Å; D526-R577 IonicContact OD1-NH2 3.93Å; D526-R577 PolarHBondContact OD1-NH2 3.2Å; D526-R577 IonicContact OD2-NH2 3.6Å; P541-R577 HydrophobicContact CB-CB 4.13Å; P541-R577 HydrophobicContact CB-CG 3.82Å; P541-R577 HydrophobicContact CG-CG 4.21Å; E551-R577 HydrophobicContact CB-CB 3.85Å; E551-R577 PolarHBondContact O-N 3.47Å; E551-R577 IonicContact OE1-NH1 2.77Å; E551-R577 WeakPolarHBondContact OE2-CD 3.25Å; E551-R577 IonicContact OE2-CZ 3.66Å; E551-R577 IonicContact OE2-NE 2.79Å; E551-R577 IonicContact OE2-NH1 3.03Å; E551-R577 PolarHBondContact OE2-NH1 3.09Å; I553-R577 HydrophobicContact CD1-CB 4.48Å; R577-S579 VanDerWaalsContact C-N 3.26Å; R577-S579 PolarHBondContact O-N 3.16Å
578	N	82.7	Confident	91.4	Very high	85 Å²	85	32.3 Å²	32.3	46%	0.455	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	4.5	-173.7	-45.3	-89.9	0	0	0	116.2	K576 Y580	K576-N578 PolarHBondContact O-N 3.2Å; N578-Y580 VanDerWaalsContact C-N 3.33Å
579	S	86.1	Confident	91.7	Very high	55 Å²	55	25.2 Å²	25.2	39%	0.385	14%	0.137	S	C	.	.	S	Bend	trans	-95.1	19.4	171.7	79.1	0	0	0	0	113.8	L575 K576 R577	L575-S579 WeakPolarHBondContact CD1-OG 3.39Å; K576-S579 PolarHBondContact N-OG 3.13Å; K576-S579 PolarHBondContact O-N 2.82Å; K576-S579 VanDerWaalsContact O-N 3.09Å; K576-S579 PolarHBondContact O-OG 3.26Å; R577-S579 VanDerWaalsContact C-N 3.26Å; R577-S579 PolarHBondContact O-N 3.16Å
580	Y	88.3	Confident	92	Very high	13 Å²	13	23.4 Å²	23.4	5%	0.051	13%	0.126	C	C	.	.			trans	-146.9	153.9	177.5	64.3	-81.6	0	0	0	110.3	I553 L575 N578 C583 V593 D594	I553-Y580 HydrophobicContact CD1-CE1 3.64Å; I553-Y580 WeakPolarHBondContact CD1-OH 3.37Å; I553-Y580 HydrophobicContact CG1-CD1 4.31Å; I553-Y580 HydrophobicContact CG1-CE1 3.57Å; L575-Y580 HydrophobicContact CD1-CD1 4.37Å; L575-Y580 HydrophobicContact CD2-CD1 3.84Å; L575-Y580 HydrophobicContact CD2-CE1 4.42Å; L575-Y580 HydrophobicContact CD2-CG 4.17Å; L575-Y580 HydrophobicContact CG-CD1 4.05Å; N578-Y580 VanDerWaalsContact C-N 3.33Å; Y580-C583 WeakPolarHBondContact CD2-SG 3.2Å; Y580-V593 CarbonylContact C-O 3.57Å; Y580-V593 WeakPolarHBondContact CA-O 3.45Å; Y580-V593 WeakPolarHBondContact CB-O 3.43Å; Y580-D594 CarbonylContact C-O 3.53Å
581	G	87.8	Confident	92.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	-91.7	-38.7	173.5	0	0	0	0	0	113.8	H524 V593 D594	H524-G581 WeakPolarHBondContact CB-O 3.22Å; G581-V593 PolarHBondContact N-O 3.09Å; G581-D594 PolarHBondContact N-O 3.43Å
582	N	92.6	Very high	92.2	Very high	5 Å²	5	20 Å²	20	3%	0.027	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	167.7	175.4	-109.3	-107.1	0	0	0	109.3	V593 Q630 I631	N582-V593 PolarHBondContact O-N 3.14Å; N582-Q630 VanDerWaalsContact OD1-C 3.27Å; N582-Q630 VanDerWaalsContact OD1-CA 3.3Å; N582-Q630 WeakPolarHBondContact OD1-CA 3.39Å; N582-I631 HydrophobicContact CB-CB 4.16Å; N582-I631 HydrophobicContact CB-CD1 3.58Å; N582-I631 HydrophobicContact CB-CG1 3.73Å; N582-I631 PolarHBondContact OD1-N 2.79Å
583	C	94.4	Very high	92.4	Very high	4 Å²	4	16.7 Å²	16.7	3%	0.027	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	141.8	-177.1	-77.8	0	0	0	0	111.3	I539 Y580 L590 Y591 A592	I539-C583 HydrophobicContact CD1-CB 4.03Å; I539-C583 HydrophobicContact CG2-CB 4.41Å; Y580-C583 WeakPolarHBondContact CD2-SG 3.2Å; C583-L590 HydrophobicContact CB-CD1 3.96Å; C583-Y591 WeakPolarHBondContact CA-O 3.14Å; C583-A592 VanDerWaalsContact SG-CB 3.51Å
584	F	96.4	Very high	92.3	Very high	1 Å²	1	19 Å²	19	0%	0.004	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	161.5	175.1	57.2	-92	0	0	0	111.2	L405 I408 I586 Y591 V593 I631 L640	L405-F584 HydrophobicContact CD2-CE2 4.05Å; L405-F584 HydrophobicContact CD2-CZ 4.09Å; I408-F584 HydrophobicContact CD1-CZ 4.31Å; F584-I586 HydrophobicContact CD2-CD1 3.96Å; F584-I586 HydrophobicContact CD2-CG1 4.01Å; F584-I586 HydrophobicContact CE2-CD1 3.68Å; F584-I586 HydrophobicContact CE2-CG1 4.23Å; F584-Y591 HydrophobicContact CD2-CD2 4.21Å; F584-Y591 HydrophobicContact CD2-CG 4.49Å; F584-Y591 AromaticContact CE2-CD2 3.81Å; F584-Y591 HydrophobicContact CE2-CD2 3.81Å; F584-Y591 AromaticContact CE2-CG 3.86Å; F584-Y591 HydrophobicContact CE2-CG 3.86Å; F584-Y591 HydrophobicContact CZ-CG 4.25Å; F584-Y591 PolarHBondContact N-O 3.13Å; F584-Y591 PolarHBondContact O-N 3.33Å; F584-V593 HydrophobicContact CE1-CG2 4.16Å; F584-I631 HydrophobicContact CD1-CB 4.35Å; F584-I631 HydrophobicContact CD1-CG2 3.64Å; F584-I631 HydrophobicContact CE1-CG2 4.11Å; F584-I631 HydrophobicContact CG-CG2 4.41Å; F584-L640 HydrophobicContact CB-CD2 4.46Å; F584-L640 HydrophobicContact CD1-CD2 4.29Å; F584-L640 HydrophobicContact CD2-CD2 3.72Å; F584-L640 HydrophobicContact CE1-CD1 4.06Å; F584-L640 HydrophobicContact CE1-CD2 4.48Å; F584-L640 HydrophobicContact CE2-CD1 4.27Å; F584-L640 HydrophobicContact CE2-CD2 3.93Å; F584-L640 HydrophobicContact CG-CD2 3.91Å; F584-L640 HydrophobicContact CZ-CD1 3.91Å; F584-L640 HydrophobicContact CZ-CD2 4.31Å
585	I	97.1	Very high	92.3	Very high	1 Å²	1	18 Å²	18	1%	0.005	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	134.2	178.2	-63.4	175.8	0	0	0	109.6	A530 D532 W537 I539 I555 V589 L590 Y633	A530-I585 HydrophobicContact CB-CB 3.96Å; A530-I585 HydrophobicContact CB-CD1 4.11Å; A530-I585 HydrophobicContact CB-CG1 4.05Å; D532-I585 HydrophobicContact CB-CG2 4.16Å; W537-I585 HydrophobicContact CB-CD1 3.78Å; W537-I585 HydrophobicContact CD2-CD1 3.88Å; W537-I585 HydrophobicContact CE3-CD1 4.01Å; W537-I585 HydrophobicContact CG-CD1 3.8Å; I539-I585 HydrophobicContact CD1-CD1 4.19Å; I539-I585 HydrophobicContact CD1-CG1 4.2Å; I539-I585 HydrophobicContact CG1-CD1 4.15Å; I555-I585 HydrophobicContact CG2-CD1 4.45Å; I585-V589 VanDerWaalsContact CA-O 3.31Å; I585-V589 WeakPolarHBondContact CA-O 3.31Å; I585-L590 HydrophobicContact CG1-CB 4.27Å; I585-L590 HydrophobicContact CG1-CD1 3.93Å; I585-Y633 VanDerWaalsContact O-CD1 3.27Å; I585-Y633 WeakPolarHBondContact O-CD1 3.21Å
586	I	96.3	Very high	92.2	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	131.2	172.1	-54.5	168.4	0	0	0	107.6	L405 F584 G588 V589 Y591 Y633 I653 F655	L405-I586 HydrophobicContact CD1-CD1 4.39Å; L405-I586 HydrophobicContact CD2-CD1 4.35Å; F584-I586 HydrophobicContact CD2-CD1 3.96Å; F584-I586 HydrophobicContact CD2-CG1 4.01Å; F584-I586 HydrophobicContact CE2-CD1 3.68Å; F584-I586 HydrophobicContact CE2-CG1 4.23Å; I586-G588 PolarHBondContact O-N 3.11Å; I586-G588 VanDerWaalsContact O-N 3.07Å; I586-V589 PolarHBondContact N-O 3.5Å; I586-V589 PolarHBondContact O-N 2.77Å; I586-Y591 HydrophobicContact CB-CE2 4.19Å; I586-Y591 HydrophobicContact CD1-CD2 4.46Å; I586-Y591 HydrophobicContact CD1-CE2 4.39Å; I586-Y633 HydrophobicContact CB-CD1 4.24Å; I586-Y633 HydrophobicContact CB-CE1 4.14Å; I586-Y633 HydrophobicContact CD1-CD2 4.24Å; I586-Y633 HydrophobicContact CD1-CE2 4.4Å; I586-Y633 HydrophobicContact CD1-CG 4.48Å; I586-Y633 HydrophobicContact CG1-CD1 3.74Å; I586-Y633 HydrophobicContact CG1-CD2 3.9Å; I586-Y633 HydrophobicContact CG1-CE1 3.98Å; I586-Y633 HydrophobicContact CG1-CE2 4.17Å; I586-Y633 HydrophobicContact CG1-CG 3.69Å; I586-Y633 HydrophobicContact CG2-CD1 4.34Å; I586-Y633 HydrophobicContact CG2-CE1 3.74Å; I586-Y633 HydrophobicContact CG2-CE2 4.47Å; I586-I653 HydrophobicContact CD1-CD1 3.8Å; I586-F655 HydrophobicContact CG2-CE1 3.75Å; I586-F655 HydrophobicContact CG2-CZ 4Å
587	C	93.9	Very high	92.2	Very high	5 Å²	5	19.6 Å²	19.6	3%	0.034	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	29.6	-179.3	-55.6	0	0	0	0	116.1	L381 C401 E533 V589 H610	L381-C587 HydrophobicContact CD2-CB 3.93Å; C401-C587 VanDerWaalsContact CA-SG 3.6Å; C401-C587 HydrophobicContact CB-CB 3.95Å; C401-C587 WeakPolarHBondContact CB-SG 3.49Å; C401-C587 WeakPolarHBondContact SG-CB 3.43Å; C401-C587 CovalentContact SG-SG 2.03Å; C401-C587 PolarHBondContact SG-SG 2.81Å; E533-C587 WeakPolarHBondContact OE2-CA 3.13Å; E533-C587 PolarHBondContact OE2-N 2.93Å; C587-V589 VanDerWaalsContact C-N 3.31Å; C587-H610 PolarHBondContact O-NE2 2.84Å
588	G	93.9	Very high	92.6	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.01	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	77	6.9	-172.9	0	0	0	0	0	115.8	D532 I586 T609	D532-G588 PolarHBondContact OD2-N 2.96Å; I586-G588 PolarHBondContact O-N 3.11Å; I586-G588 VanDerWaalsContact O-N 3.07Å; G588-T609 WeakPolarHBondContact O-CB 3.33Å; G588-T609 WeakPolarHBondContact O-CG2 3.44Å; G588-T609 PolarHBondContact O-N 3.14Å; G588-T609 PolarHBondContact O-OG1 3.08Å
589	V	96.4	Very high	93.2	Very high	1 Å²	1	24 Å²	24	1%	0.006	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	121.4	169.4	-175.6	0	0	0	0	109.1	L379 L381 I585 I586 C587 Y591 A606 Y607 D608	L379-V589 HydrophobicContact CD1-CG1 4.01Å; L381-V589 HydrophobicContact CD1-CG2 4.08Å; I585-V589 VanDerWaalsContact CA-O 3.31Å; I585-V589 WeakPolarHBondContact CA-O 3.31Å; I586-V589 PolarHBondContact N-O 3.5Å; I586-V589 PolarHBondContact O-N 2.77Å; C587-V589 VanDerWaalsContact C-N 3.31Å; V589-Y591 HydrophobicContact CB-CD2 4.46Å; V589-Y591 HydrophobicContact CB-CE2 3.72Å; V589-Y591 HydrophobicContact CG1-CD2 4.19Å; V589-Y591 HydrophobicContact CG1-CE1 4.15Å; V589-Y591 HydrophobicContact CG1-CE2 3.6Å; V589-Y591 WeakPolarHBondContact O-CD2 3.44Å; V589-A606 HydrophobicContact CG1-CB 4.22Å; V589-Y607 CarbonylContact C-O 3.58Å; V589-Y607 WeakPolarHBondContact CA-O 3.45Å; V589-D608 HydrophobicContact CG2-CB 4.13Å
590	L	97.3	Very high	93.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	135.2	168.4	174.3	73.7	0	0	0	109.3	I539 I555 T573 C583 I585 A606 Y607	I539-L590 HydrophobicContact CD1-CD1 3.82Å; I539-L590 HydrophobicContact CG1-CD1 4.45Å; I555-L590 HydrophobicContact CD1-CB 3.9Å; I555-L590 HydrophobicContact CD1-CD2 4.37Å; I555-L590 HydrophobicContact CG2-CD1 4.11Å; I555-L590 HydrophobicContact CG2-CD2 3.85Å; I555-L590 HydrophobicContact CG2-CG 4.4Å; T573-L590 HydrophobicContact CG2-CD2 4.11Å; C583-L590 HydrophobicContact CB-CD1 3.96Å; I585-L590 HydrophobicContact CG1-CB 4.27Å; I585-L590 HydrophobicContact CG1-CD1 3.93Å; L590-A606 CarbonylContact O-C 3.5Å; L590-A606 WeakPolarHBondContact O-CA 3.21Å; L590-A606 WeakPolarHBondContact O-CB 3.4Å; L590-Y607 PolarHBondContact N-O 3.49Å; L590-Y607 PolarHBondContact O-N 2.77Å
591	Y	97.1	Very high	93.8	Very high	3 Å²	3	29 Å²	29	1%	0.012	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	135.1	170.2	-64.8	-88	0	0	0	109.2	L405 C583 F584 I586 V589 V603 A606	L405-Y591 HydrophobicContact CB-CE1 3.92Å; L405-Y591 HydrophobicContact CB-CE2 4.21Å; L405-Y591 HydrophobicContact CD2-CD1 4.22Å; L405-Y591 HydrophobicContact CD2-CE1 4.23Å; L405-Y591 HydrophobicContact CD2-CG 4.4Å; L405-Y591 PolarHBondContact N-OH 3.02Å; C583-Y591 WeakPolarHBondContact CA-O 3.14Å; F584-Y591 HydrophobicContact CD2-CD2 4.21Å; F584-Y591 HydrophobicContact CD2-CG 4.49Å; F584-Y591 AromaticContact CE2-CD2 3.81Å; F584-Y591 HydrophobicContact CE2-CD2 3.81Å; F584-Y591 AromaticContact CE2-CG 3.86Å; F584-Y591 HydrophobicContact CE2-CG 3.86Å; F584-Y591 HydrophobicContact CZ-CG 4.25Å; F584-Y591 PolarHBondContact N-O 3.13Å; F584-Y591 PolarHBondContact O-N 3.33Å; I586-Y591 HydrophobicContact CB-CE2 4.19Å; I586-Y591 HydrophobicContact CD1-CD2 4.46Å; I586-Y591 HydrophobicContact CD1-CE2 4.39Å; V589-Y591 HydrophobicContact CB-CD2 4.46Å; V589-Y591 HydrophobicContact CB-CE2 3.72Å; V589-Y591 HydrophobicContact CG1-CD2 4.19Å; V589-Y591 HydrophobicContact CG1-CE1 4.15Å; V589-Y591 HydrophobicContact CG1-CE2 3.6Å; V589-Y591 WeakPolarHBondContact O-CD2 3.44Å; Y591-V603 HydrophobicContact CD1-CG1 3.86Å; Y591-V603 HydrophobicContact CG-CG1 4.34Å; Y591-A606 HydrophobicContact CD1-CB 3.79Å; Y591-A606 HydrophobicContact CE1-CB 3.98Å
592	A	96.2	Very high	94.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	132	177.3	0	0	0	0	0	111.1	L575 C583 V603 N604 Y605	L575-A592 HydrophobicContact CD1-CB 4.39Å; L575-A592 HydrophobicContact CD2-CB 3.73Å; C583-A592 VanDerWaalsContact SG-CB 3.51Å; A592-V603 CarbonylContact O-C 3.59Å; A592-V603 WeakPolarHBondContact O-CA 3.42Å; A592-N604 PolarHBondContact O-N 2.93Å; A592-Y605 HydrophobicContact CB-CD1 4.39Å; A592-Y605 PolarHBondContact N-O 3.43Å
593	V	95.2	Very high	94.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	136.9	170.3	177.7	0	0	0	0	108.2	Y580 G581 N582 F584 V595 E602 V603 F621 I631	Y580-V593 CarbonylContact C-O 3.57Å; Y580-V593 WeakPolarHBondContact CA-O 3.45Å; Y580-V593 WeakPolarHBondContact CB-O 3.43Å; G581-V593 PolarHBondContact N-O 3.09Å; N582-V593 PolarHBondContact O-N 3.14Å; F584-V593 HydrophobicContact CE1-CG2 4.16Å; V593-V595 WeakPolarHBondContact CG1-O 3.38Å; V593-E602 WeakPolarHBondContact CA-O 3.09Å; V593-V603 HydrophobicContact CG2-CG2 4.2Å; V593-F621 HydrophobicContact CB-CD1 4.47Å; V593-F621 HydrophobicContact CG1-CD1 3.58Å; V593-F621 HydrophobicContact CG1-CE1 4.09Å; V593-F621 HydrophobicContact CG1-CG 4.26Å; V593-F621 HydrophobicContact CG2-CD1 4.01Å; V593-F621 HydrophobicContact CG2-CE1 4.16Å; V593-F621 HydrophobicContact CG2-CG 4.21Å; V593-F621 HydrophobicContact CG2-CZ 4.5Å; V593-I631 HydrophobicContact CB-CD1 4.18Å; V593-I631 HydrophobicContact CG2-CD1 3.71Å
594	D	91.8	Very high	94.4	Very high	55 Å²	55	34.7 Å²	34.7	29%	0.294	17%	0.17	S	C	.	.	S	Bend	trans	-74.2	-42.3	-172.7	73.7	-32.4	0	0	0	114.2	Y580 G581 G601 E602 N604	Y580-D594 CarbonylContact C-O 3.53Å; G581-D594 PolarHBondContact N-O 3.43Å; D594-G601 WeakPolarHBondContact OD1-CA 3.1Å; D594-E602 PolarHBondContact N-O 3.35Å; D594-E602 PolarHBondContact OD1-N 2.76Å; D594-N604 HydrophobicContact CB-CB 4.07Å; D594-N604 WeakPolarHBondContact CB-ND2 2.99Å
595	V	90.8	Very high	94.4	Very high	17 Å²	17	35.7 Å²	35.7	10%	0.103	17%	0.174	C	C	.	.			trans	-115.4	147.9	-176.4	-60.5	0	0	0	0	113.4	V593 Q598 E600	V593-V595 WeakPolarHBondContact CG1-O 3.38Å; V595-Q598 HydrophobicContact CB-CB 4.19Å; V595-Q598 HydrophobicContact CG1-CB 4.46Å; V595-Q598 HydrophobicContact CG1-CG 4.47Å; V595-Q598 HydrophobicContact CG2-CB 4.04Å; V595-E600 WeakPolarHBondContact CG2-O 3.41Å
596	Y	88.9	Confident	94.4	Very high	59 Å²	59	35.6 Å²	35.6	23%	0.231	17%	0.173	C	C	.	.	S	Bend	trans	-116.5	-20.9	173.5	67.7	-81.8	0	0	0	113.1	R522 Y627 T628	R522-Y596 WeakPolarHBondContact O-CE2 3.32Å; R522-Y596 VanDerWaalsContact O-CZ 3.28Å; R522-Y596 PolarHBondContact O-OH 3.46Å; Y596-Y627 HydrophobicContact CD2-CD2 4.41Å; Y596-Y627 HydrophobicContact CD2-CE2 4.27Å; Y596-Y627 HydrophobicContact CE2-CE2 4.21Å; Y596-Y627 CarbonylContact O-C 3.55Å; Y596-Y627 VanDerWaalsContact O-CA 3.28Å; Y596-Y627 WeakPolarHBondContact O-CA 3.36Å; Y596-T628 PolarHBondContact O-N 3.23Å
597	N	90.3	Very high	94.4	Very high	83 Å²	83	36.2 Å²	36.2	44%	0.444	18%	0.176	S	C	.	.	S	Bend	trans	-118.7	20.5	-170.3	65.1	-14.9	0	0	0	113.9	A626	N597-A626 CarbonylContact C-O 3.58Å; N597-A626 VanDerWaalsContact C-O 3.3Å; N597-A626 VanDerWaalsContact CA-O 3.27Å; N597-A626 WeakPolarHBondContact CA-O 3.5Å
598	Q	92.4	Very high	94.5	Very high	111 Å²	111	36 Å²	36	52%	0.519	17%	0.174	S	C	.	.	S	Bend	trans	-135.2	149.1	179.3	-61.3	-178.2	59.7	0	0	109	V595 N623	V595-Q598 HydrophobicContact CB-CB 4.19Å; V595-Q598 HydrophobicContact CG1-CB 4.46Å; V595-Q598 HydrophobicContact CG1-CG 4.47Å; V595-Q598 HydrophobicContact CG2-CB 4.04Å; Q598-N623 WeakPolarHBondContact O-CB 3.43Å; Q598-N623 PolarHBondContact O-ND2 3.18Å
599	K	93.3	Very high	94.6	Very high	88 Å²	88	36.4 Å²	36.4	38%	0.383	18%	0.177	S	C	.	.	S	Bend	trans	-71.9	-41.7	-175.1	177	154.7	-173.5	154.8	0	113.3	T622 N623 E624 A626	K599-T622 CarbonylContact O-C 3.57Å; K599-T622 WeakPolarHBondContact O-CA 3.22Å; K599-N623 WeakPolarHBondContact CA-O 3.33Å; K599-N623 WeakPolarHBondContact CG-O 3.16Å; K599-N623 PolarHBondContact O-N 2.85Å; K599-E624 VanDerWaalsContact CE-OE2 3.26Å; K599-E624 WeakPolarHBondContact CE-OE2 3.45Å; K599-E624 PolarHBondContact NZ-O 3.25Å; K599-E624 IonicContact NZ-OE1 2.92Å; K599-E624 PolarHBondContact NZ-OE1 2.91Å; K599-E624 IonicContact NZ-OE2 3.93Å; K599-E624 PolarHBondContact NZ-OE2 3.42Å; K599-A626 HydrophobicContact CB-CB 4.29Å
600	E	94.4	Very high	94.4	Very high	163 Å²	163	41.7 Å²	41.7	76%	0.762	20%	0.201	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	137.3	176	-68.5	164.9	-160.1	0	0	108.6	V595	V595-E600 WeakPolarHBondContact CG2-O 3.41Å
601	G	93.4	Very high	94.2	Very high	12 Å²	12	44.9 Å²	44.9	12%	0.124	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	176.6	179.1	0	0	0	0	0	111.9	D594 F621	D594-G601 WeakPolarHBondContact OD1-CA 3.1Å; G601-F621 PolarHBondContact N-O 2.84Å; G601-F621 PolarHBondContact O-N 2.84Å; G601-F621 VanDerWaalsContact O-O 3.13Å
602	E	95.6	Very high	94	Very high	76 Å²	76	49.3 Å²	49.3	36%	0.355	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	145.9	178.9	-69.6	-175.2	-165.6	0	0	111.8	V593 D594 N604 R618 L619	V593-E602 WeakPolarHBondContact CA-O 3.09Å; D594-E602 PolarHBondContact N-O 3.35Å; D594-E602 PolarHBondContact OD1-N 2.76Å; E602-N604 HydrophobicContact CB-CB 4.41Å; E602-N604 PolarHBondContact O-N 3.28Å; E602-R618 WeakPolarHBondContact OE2-CB 3.45Å; E602-R618 WeakPolarHBondContact OE2-CG 3.4Å; E602-L619 CarbonylContact C-O 3.58Å; E602-L619 WeakPolarHBondContact CA-O 3.23Å
603	V	96.8	Very high	93.9	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	82.4	156.6	-174.8	0	0	0	0	107.3	I408 Y591 A592 V593 Y605 P617 R618 L619	I408-V603 HydrophobicContact CD1-CG2 3.68Å; Y591-V603 HydrophobicContact CD1-CG1 3.86Å; Y591-V603 HydrophobicContact CG-CG1 4.34Å; A592-V603 CarbonylContact O-C 3.59Å; A592-V603 WeakPolarHBondContact O-CA 3.42Å; V593-V603 HydrophobicContact CG2-CG2 4.2Å; V603-Y605 VanDerWaalsContact C-N 3.35Å; V603-P617 HydrophobicContact CG1-CG 4.46Å; V603-R618 WeakPolarHBondContact O-CA 3.39Å; V603-R618 PolarHBondContact O-N 3.45Å; V603-L619 HydrophobicContact CB-CB 4.05Å; V603-L619 HydrophobicContact CG2-CB 4.19Å; V603-L619 PolarHBondContact N-O 2.82Å
604	N	95.6	Very high	93.9	Very high	51 Å²	51	55.9 Å²	55.9	27%	0.273	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	-13.6	-169.2	77.7	-8.8	0	0	0	113.6	A592 D594 E602 I616	A592-N604 PolarHBondContact O-N 2.93Å; D594-N604 HydrophobicContact CB-CB 4.07Å; D594-N604 WeakPolarHBondContact CB-ND2 2.99Å; E602-N604 HydrophobicContact CB-CB 4.41Å; E602-N604 PolarHBondContact O-N 3.28Å; N604-I616 WeakPolarHBondContact O-CA 3.48Å; N604-I616 VanDerWaalsContact O-CG2 3.27Å; N604-I616 WeakPolarHBondContact O-CG2 3.42Å
605	Y	96.5	Very high	94	Very high	22 Å²	22	53.7 Å²	53.7	9%	0.086	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	141.1	-173.2	-179.1	-91.9	0	0	0	111.4	T573 G574 L575 A592 V603 E614 A615	T573-Y605 WeakPolarHBondContact CB-OH 3.3Å; G574-Y605 PolarHBondContact N-OH 3.25Å; G574-Y605 VanDerWaalsContact N-OH 3.13Å; L575-Y605 HydrophobicContact CB-CD1 3.95Å; L575-Y605 HydrophobicContact CB-CE1 3.61Å; L575-Y605 HydrophobicContact CB-CE2 4.5Å; L575-Y605 HydrophobicContact CD1-CD1 4.06Å; L575-Y605 HydrophobicContact CD1-CG 4.08Å; L575-Y605 HydrophobicContact CD2-CD1 4.18Å; L575-Y605 HydrophobicContact CD2-CE1 4.44Å; L575-Y605 HydrophobicContact CG-CD1 4.3Å; L575-Y605 HydrophobicContact CG-CE1 4.43Å; L575-Y605 PolarHBondContact N-OH 2.79Å; A592-Y605 HydrophobicContact CB-CD1 4.39Å; A592-Y605 PolarHBondContact N-O 3.43Å; V603-Y605 VanDerWaalsContact C-N 3.35Å; Y605-E614 HydrophobicContact CE2-CB 4.2Å; Y605-E614 VanDerWaalsContact CE2-OE2 3.31Å; Y605-E614 WeakPolarHBondContact CE2-OE2 3.32Å; Y605-E614 PolarHBondContact OH-OE1 3.32Å; Y605-E614 PolarHBondContact OH-OE2 3.44Å; Y605-A615 WeakPolarHBondContact CA-O 3.32Å
606	A	96.9	Very high	94.3	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	148.9	168.4	0	0	0	0	0	111.7	L379 V589 L590 Y591 E614 A615 P617	L379-A606 HydrophobicContact CD1-CB 4.01Å; V589-A606 HydrophobicContact CG1-CB 4.22Å; L590-A606 CarbonylContact O-C 3.5Å; L590-A606 WeakPolarHBondContact O-CA 3.21Å; L590-A606 WeakPolarHBondContact O-CB 3.4Å; Y591-A606 HydrophobicContact CD1-CB 3.79Å; Y591-A606 HydrophobicContact CE1-CB 3.98Å; A606-E614 WeakPolarHBondContact O-CA 3.42Å; A606-A615 PolarHBondContact N-O 2.84Å; A606-A615 PolarHBondContact O-N 2.93Å; A606-P617 HydrophobicContact CB-CG 3.61Å
607	Y	96.9	Very high	94.5	Very high	14 Å²	14	56.2 Å²	56.2	6%	0.055	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	120.6	175.4	-176.8	-77.6	0	0	0	109.7	I555 W571 R572 T573 V589 L590 T609 S613 E614	I555-Y607 HydrophobicContact CD1-CD1 3.89Å; I555-Y607 HydrophobicContact CD1-CE1 4.41Å; W571-Y607 HydrophobicContact CB-CE1 3.71Å; W571-Y607 AromaticContact CD1-CE1 3.9Å; W571-Y607 HydrophobicContact CG-CE1 4.04Å; R572-Y607 PolarHBondContact O-OH 3.46Å; T573-Y607 HydrophobicContact CG2-CD1 3.99Å; T573-Y607 HydrophobicContact CG2-CD2 3.58Å; T573-Y607 HydrophobicContact CG2-CE1 4.4Å; T573-Y607 HydrophobicContact CG2-CE2 4.02Å; T573-Y607 HydrophobicContact CG2-CG 3.57Å; V589-Y607 CarbonylContact C-O 3.58Å; V589-Y607 WeakPolarHBondContact CA-O 3.45Å; L590-Y607 PolarHBondContact N-O 3.49Å; L590-Y607 PolarHBondContact O-N 2.77Å; Y607-T609 HydrophobicContact CD1-CG2 4.28Å; Y607-T609 HydrophobicContact CE1-CG2 4.24Å; Y607-S613 WeakPolarHBondContact CA-O 3.23Å; Y607-E614 HydrophobicContact CD2-CG 3.72Å; Y607-E614 WeakPolarHBondContact CD2-OE1 3.18Å; Y607-E614 HydrophobicContact CE2-CG 4.08Å; Y607-E614 WeakPolarHBondContact CE2-OE1 3.3Å
608	D	95.6	Very high	94.7	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	119.1	177.6	172.9	23.7	0	0	0	111.2	V589 H610 T611 N612 S613	V589-D608 HydrophobicContact CG2-CB 4.13Å; D608-H610 VanDerWaalsContact C-N 3.32Å; D608-H610 PolarHBondContact O-N 3.3Å; D608-H610 WeakPolarHBondContact OD1-CB 3.38Å; D608-H610 IonicContact OD1-CD2 3.4Å; D608-H610 PolarHBondContact OD1-CD2 3.36Å; D608-H610 IonicContact OD1-CG 2.79Å; D608-H610 PolarHBondContact OD1-N 2.96Å; D608-T611 VanDerWaalsContact OD2-CB 3.27Å; D608-T611 WeakPolarHBondContact OD2-CB 3.23Å; D608-T611 VanDerWaalsContact OD2-CG2 3.23Å; D608-T611 WeakPolarHBondContact OD2-CG2 3.28Å; D608-T611 PolarHBondContact OD2-N 3.18Å; D608-T611 PolarHBondContact OD2-OG1 2.99Å; D608-N612 WeakPolarHBondContact O-CA 3.46Å; D608-N612 PolarHBondContact O-N 2.76Å; D608-S613 PolarHBondContact N-O 2.77Å; D608-S613 PolarHBondContact O-N 2.71Å
609	T	94.6	Very high	94.9	Very high	9 Å²	9	55.7 Å²	55.7	6%	0.055	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-18.4	178.5	59.3	0	0	0	0	114.5	W537 I555 W571 G588 Y607	W537-T609 HydrophobicContact CH2-CG2 3.98Å; W537-T609 HydrophobicContact CZ3-CG2 4.02Å; I555-T609 HydrophobicContact CD1-CG2 3.5Å; I555-T609 VanDerWaalsContact CD1-CG2 3.5Å; I555-T609 HydrophobicContact CG1-CG2 4.2Å; W571-T609 HydrophobicContact CB-CG2 4.41Å; W571-T609 HydrophobicContact CD2-CG2 3.58Å; W571-T609 HydrophobicContact CE3-CG2 3.81Å; W571-T609 HydrophobicContact CG-CG2 3.85Å; W571-T609 HydrophobicContact CZ2-CG2 4.34Å; W571-T609 HydrophobicContact CZ3-CG2 4.28Å; W571-T609 PolarHBondContact NE1-O 3.34Å; G588-T609 WeakPolarHBondContact O-CB 3.33Å; G588-T609 WeakPolarHBondContact O-CG2 3.44Å; G588-T609 PolarHBondContact O-N 3.14Å; G588-T609 PolarHBondContact O-OG1 3.08Å; Y607-T609 HydrophobicContact CD1-CG2 4.28Å; Y607-T609 HydrophobicContact CE1-CG2 4.24Å
610	H	92.7	Very high	95	Very high	111 Å²	111	55.8 Å²	55.8	51%	0.514	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-53.7	178	-53.1	-68.3	0	0	0	110.6	C587 D608 N612	C587-H610 PolarHBondContact O-NE2 2.84Å; D608-H610 VanDerWaalsContact C-N 3.32Å; D608-H610 PolarHBondContact O-N 3.3Å; D608-H610 WeakPolarHBondContact OD1-CB 3.38Å; D608-H610 IonicContact OD1-CD2 3.4Å; D608-H610 PolarHBondContact OD1-CD2 3.36Å; D608-H610 IonicContact OD1-CG 2.79Å; D608-H610 PolarHBondContact OD1-N 2.96Å; H610-N612 PolarHBondContact O-ND2 2.93Å
611	T	93.1	Very high	95.1	Very high	68 Å²	68	48.2 Å²	48.2	42%	0.417	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-13.2	178.4	61.3	0	0	0	0	113.9	D608 S613	D608-T611 VanDerWaalsContact OD2-CB 3.27Å; D608-T611 WeakPolarHBondContact OD2-CB 3.23Å; D608-T611 VanDerWaalsContact OD2-CG2 3.23Å; D608-T611 WeakPolarHBondContact OD2-CG2 3.28Å; D608-T611 PolarHBondContact OD2-N 3.18Å; D608-T611 PolarHBondContact OD2-OG1 2.99Å; T611-S613 PolarHBondContact O-N 2.85Å; T611-S613 WeakPolarHBondContact OG1-CB 3.17Å; T611-S613 PolarHBondContact OG1-OG 2.9Å
612	N	93.4	Very high	95.2	Very high	95 Å²	95	49.2 Å²	49.2	51%	0.508	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	58	37.7	-171.4	-52.1	-99.5	0	0	0	111.7	W571 D608 H610	W571-N612 PolarHBondContact NE1-OD1 3.39Å; W571-N612 VanDerWaalsContact NE1-OD1 3.14Å; D608-N612 WeakPolarHBondContact O-CA 3.46Å; D608-N612 PolarHBondContact O-N 2.76Å; H610-N612 PolarHBondContact O-ND2 2.93Å
613	S	94	Very high	95.1	Very high	44 Å²	44	45.6 Å²	45.6	31%	0.308	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	156.8	-175.8	74.5	0	0	0	0	112.9	Y607 D608 T611	Y607-S613 WeakPolarHBondContact CA-O 3.23Å; D608-S613 PolarHBondContact N-O 2.77Å; D608-S613 PolarHBondContact O-N 2.71Å; T611-S613 PolarHBondContact O-N 2.85Å; T611-S613 WeakPolarHBondContact OG1-CB 3.17Å; T611-S613 PolarHBondContact OG1-OG 2.9Å
614	E	95	Very high	95	Very high	94 Å²	94	49.4 Å²	49.4	44%	0.439	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	140.5	-176.5	-36.6	-158.2	163.4	0	0	110.7	G574 Y605 A606 Y607	G574-E614 WeakPolarHBondContact CA-OE2 3.42Å; G574-E614 PolarHBondContact N-OE1 2.79Å; G574-E614 PolarHBondContact N-OE2 3.13Å; Y605-E614 HydrophobicContact CE2-CB 4.2Å; Y605-E614 VanDerWaalsContact CE2-OE2 3.31Å; Y605-E614 WeakPolarHBondContact CE2-OE2 3.32Å; Y605-E614 PolarHBondContact OH-OE1 3.32Å; Y605-E614 PolarHBondContact OH-OE2 3.44Å; A606-E614 WeakPolarHBondContact O-CA 3.42Å; Y607-E614 HydrophobicContact CD2-CG 3.72Å; Y607-E614 WeakPolarHBondContact CD2-OE1 3.18Å; Y607-E614 HydrophobicContact CE2-CG 4.08Å; Y607-E614 WeakPolarHBondContact CE2-OE1 3.3Å
615	A	94.8	Very high	94.9	Very high	9 Å²	9	50.4 Å²	50.4	7%	0.074	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	166.9	179.1	0	0	0	0	0	111.8	L379 Y605 A606	L379-A615 HydrophobicContact CD1-CB 4.12Å; L379-A615 HydrophobicContact CD2-CB 3.78Å; L379-A615 HydrophobicContact CG-CB 3.91Å; Y605-A615 WeakPolarHBondContact CA-O 3.32Å; A606-A615 PolarHBondContact N-O 2.84Å; A606-A615 PolarHBondContact O-N 2.93Å
616	I	95.3	Very high	94.7	Very high	104 Å²	104	51 Å²	51	53%	0.533	26%	0.264	S	S	.	.			trans	-123.2	84.8	179.1	-60.8	177.8	0	0	0	106.6	N604 R618	N604-I616 WeakPolarHBondContact O-CA 3.48Å; N604-I616 VanDerWaalsContact O-CG2 3.27Å; N604-I616 WeakPolarHBondContact O-CG2 3.42Å; I616-R618 HydrophobicContact CG2-CG 3.9Å
617	P	93.9	Very high	94.5	Very high	26 Å²	26	53.8 Å²	53.8	17%	0.169	28%	0.275	C	S	.	.			trans	-67.4	-37.2	-168.7	-23.9	35.4	0	0	0	114.3	V603 A606 L619	V603-P617 HydrophobicContact CG1-CG 4.46Å; A606-P617 HydrophobicContact CB-CG 3.61Å; P617-L619 VanDerWaalsContact C-N 3.29Å; P617-L619 HydrophobicContact CB-CD1 4.5Å; P617-L619 HydrophobicContact CB-CD2 4.4Å; P617-L619 HydrophobicContact CB-CG 3.9Å; P617-L619 PolarHBondContact O-N 3.41Å
618	R	95.1	Very high	94.4	Very high	167 Å²	167	53.2 Å²	53.2	63%	0.63	27%	0.272	S	S	*	.			trans	55.2	39.7	-174.4	-52.5	-165.8	-177	-149.4	-1.9	113.8	E602 V603 I616	E602-R618 WeakPolarHBondContact OE2-CB 3.45Å; E602-R618 WeakPolarHBondContact OE2-CG 3.4Å; V603-R618 WeakPolarHBondContact O-CA 3.39Å; V603-R618 PolarHBondContact O-N 3.45Å; I616-R618 HydrophobicContact CG2-CG 3.9Å
619	L	95.9	Very high	94.2	Very high	15 Å²	15	53.1 Å²	53.1	8%	0.079	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	129.8	173.3	-50.6	-177.2	0	0	0	108.7	L405 A406 E602 V603 P617	L405-L619 HydrophobicContact CB-CD1 4.32Å; L405-L619 HydrophobicContact CD2-CD1 3.75Å; L405-L619 HydrophobicContact CG-CD1 3.65Å; A406-L619 WeakPolarHBondContact O-CD2 2.91Å; E602-L619 CarbonylContact C-O 3.58Å; E602-L619 WeakPolarHBondContact CA-O 3.23Å; V603-L619 HydrophobicContact CB-CB 4.05Å; V603-L619 HydrophobicContact CG2-CB 4.19Å; V603-L619 PolarHBondContact N-O 2.82Å; P617-L619 VanDerWaalsContact C-N 3.29Å; P617-L619 HydrophobicContact CB-CD1 4.5Å; P617-L619 HydrophobicContact CB-CD2 4.4Å; P617-L619 HydrophobicContact CB-CG 3.9Å; P617-L619 PolarHBondContact O-N 3.41Å
620	P	96.1	Very high	94.3	Very high	90 Å²	90	52.8 Å²	52.8	58%	0.584	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.6	141.8	179.8	27.6	-34.7	0	0	0	110.9
621	F	96.3	Very high	94.5	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.018	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	142.6	178.9	-166.1	-110.1	0	0	0	110.5	I408 V593 G601 N623 I631 Y651	I408-F621 HydrophobicContact CD1-CD2 3.7Å; I408-F621 HydrophobicContact CD1-CE2 4.14Å; I408-F621 HydrophobicContact CG2-CD2 4.1Å; I408-F621 HydrophobicContact CG2-CE2 4.15Å; V593-F621 HydrophobicContact CB-CD1 4.47Å; V593-F621 HydrophobicContact CG1-CD1 3.58Å; V593-F621 HydrophobicContact CG1-CE1 4.09Å; V593-F621 HydrophobicContact CG1-CG 4.26Å; V593-F621 HydrophobicContact CG2-CD1 4.01Å; V593-F621 HydrophobicContact CG2-CE1 4.16Å; V593-F621 HydrophobicContact CG2-CG 4.21Å; V593-F621 HydrophobicContact CG2-CZ 4.5Å; G601-F621 PolarHBondContact N-O 2.84Å; G601-F621 PolarHBondContact O-N 2.84Å; G601-F621 VanDerWaalsContact O-O 3.13Å; F621-N623 VanDerWaalsContact CE1-OD1 3.23Å; F621-N623 WeakPolarHBondContact CE1-OD1 3.18Å; F621-I631 HydrophobicContact CE1-CD1 3.56Å; F621-I631 HydrophobicContact CZ-CD1 3.54Å; F621-I631 HydrophobicContact CZ-CG1 4.29Å; F621-Y651 HydrophobicContact CD2-CE1 4.31Å; F621-Y651 AromaticContact CE2-CD1 3.97Å; F621-Y651 HydrophobicContact CE2-CD1 3.97Å; F621-Y651 HydrophobicContact CE2-CD2 4.08Å; F621-Y651 AromaticContact CE2-CE1 3.69Å; F621-Y651 HydrophobicContact CE2-CE1 3.69Å; F621-Y651 AromaticContact CE2-CE2 3.81Å; F621-Y651 HydrophobicContact CE2-CE2 3.81Å; F621-Y651 HydrophobicContact CE2-CG 4.15Å; F621-Y651 AromaticContact CE2-CZ 3.62Å; F621-Y651 HydrophobicContact CZ-CD2 4.16Å; F621-Y651 AromaticContact CZ-CE1 3.9Å; F621-Y651 HydrophobicContact CZ-CE1 3.9Å; F621-Y651 AromaticContact CZ-CE2 3.48Å; F621-Y651 HydrophobicContact CZ-CE2 3.48Å; F621-Y651 VanDerWaalsContact CZ-CE2 3.48Å; F621-Y651 AromaticContact CZ-CZ 3.33Å; F621-Y651 WeakPolarHBondContact CZ-OH 3.46Å
622	T	95.8	Very high	94.6	Very high	34 Å²	34	44.9 Å²	44.9	21%	0.209	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	99.6	-170.9	-56.9	0	0	0	0	111.9	L410 K599 E624 Y651	L410-T622 HydrophobicContact CD2-CG2 4.24Å; K599-T622 CarbonylContact O-C 3.57Å; K599-T622 WeakPolarHBondContact O-CA 3.22Å; T622-E624 PolarHBondContact O-N 2.79Å; T622-E624 VanDerWaalsContact O-N 3.15Å; T622-Y651 WeakPolarHBondContact O-CE1 3.38Å; T622-Y651 PolarHBondContact O-OH 3.21Å
623	N	93.4	Very high	94.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.207	C	C	.	.			trans	-79.5	87.6	172.2	-58.2	-54.8	0	0	0	109.6	Q598 K599 F621 Y625 A626 T628 D644	Q598-N623 WeakPolarHBondContact O-CB 3.43Å; Q598-N623 PolarHBondContact O-ND2 3.18Å; K599-N623 WeakPolarHBondContact CA-O 3.33Å; K599-N623 WeakPolarHBondContact CG-O 3.16Å; K599-N623 PolarHBondContact O-N 2.85Å; F621-N623 VanDerWaalsContact CE1-OD1 3.23Å; F621-N623 WeakPolarHBondContact CE1-OD1 3.18Å; N623-Y625 PolarHBondContact O-N 3.3Å; N623-A626 PolarHBondContact O-N 2.83Å; N623-T628 VanDerWaalsContact CG-OG1 3.31Å; N623-T628 VanDerWaalsContact OD1-CB 3.32Å; N623-T628 WeakPolarHBondContact OD1-CB 3.26Å; N623-T628 PolarHBondContact OD1-OG1 3.22Å; N623-D644 VanDerWaalsContact C-OD2 3.23Å
624	E	93.8	Very high	94.9	Very high	80 Å²	80	39 Å²	39	37%	0.374	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-34.7	-172.2	-179.2	53.4	-142.8	0	0	114.5	P411 K599 T622 D644	P411-E624 HydrophobicContact CG-CB 3.81Å; K599-E624 VanDerWaalsContact CE-OE2 3.26Å; K599-E624 WeakPolarHBondContact CE-OE2 3.45Å; K599-E624 PolarHBondContact NZ-O 3.25Å; K599-E624 IonicContact NZ-OE1 2.92Å; K599-E624 PolarHBondContact NZ-OE1 2.91Å; K599-E624 IonicContact NZ-OE2 3.93Å; K599-E624 PolarHBondContact NZ-OE2 3.42Å; T622-E624 PolarHBondContact O-N 2.79Å; T622-E624 VanDerWaalsContact O-N 3.15Å; E624-D644 PolarHBondContact N-OD2 3.38Å; E624-D644 VanDerWaalsContact N-OD2 3.16Å
625	Y	93.9	Very high	94.9	Very high	72 Å²	72	34.6 Å²	34.6	28%	0.282	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	6.9	179.8	-50.4	-74.8	0	0	0	114.3	N623 Y627 D644 N645 H647 I649	N623-Y625 PolarHBondContact O-N 3.3Å; Y625-Y627 VanDerWaalsContact C-N 3.28Å; Y625-Y627 PolarHBondContact O-N 3.48Å; Y625-D644 VanDerWaalsContact C-OD1 3.26Å; Y625-D644 WeakPolarHBondContact CA-OD2 3.48Å; Y625-D644 WeakPolarHBondContact CB-OD1 3.44Å; Y625-D644 HydrophobicContact CD2-CB 4.29Å; Y625-D644 PolarHBondContact N-OD2 2.81Å; Y625-N645 PolarHBondContact O-ND2 3.18Å; Y625-H647 AromaticContact CD1-CE1 3.96Å; Y625-H647 HydrophobicContact CD2-CB 3.59Å; Y625-H647 AromaticContact CD2-CD2 3.86Å; Y625-H647 AromaticContact CD2-CG 3.47Å; Y625-H647 VanDerWaalsContact CD2-CG 3.47Å; Y625-H647 AromaticContact CD2-ND1 3.84Å; Y625-H647 AromaticContact CE1-CD2 3.74Å; Y625-H647 AromaticContact CE1-NE2 3.68Å; Y625-H647 HydrophobicContact CE2-CB 3.53Å; Y625-H647 AromaticContact CE2-CD2 3.31Å; Y625-H647 WeakPolarHBondContact CE2-CD2 3.46Å; Y625-H647 AromaticContact CE2-CG 3.36Å; Y625-H647 HydrophobicContact CG-CB 4.46Å; Y625-H647 AromaticContact CG-CG 3.95Å; Y625-H647 AromaticContact CG-ND1 3.85Å; Y625-H647 AromaticContact CZ-CD2 3.26Å; Y625-H647 AromaticContact CZ-CG 3.78Å; Y625-H647 AromaticContact CZ-NE2 3.7Å; Y625-I649 HydrophobicContact CE2-CG2 4.2Å
626	A	92.3	Very high	94.9	Very high	35 Å²	35	37.7 Å²	37.7	29%	0.289	18%	0.184	S	C	.	.	S	Bend	trans	54.5	29	170.3	0	0	0	0	0	116.3	N597 K599 N623 D644	N597-A626 CarbonylContact C-O 3.58Å; N597-A626 VanDerWaalsContact C-O 3.3Å; N597-A626 VanDerWaalsContact CA-O 3.27Å; N597-A626 WeakPolarHBondContact CA-O 3.5Å; K599-A626 HydrophobicContact CB-CB 4.29Å; N623-A626 PolarHBondContact O-N 2.83Å; A626-D644 PolarHBondContact N-OD1 2.92Å; A626-D644 PolarHBondContact N-OD2 2.89Å
627	Y	92.8	Very high	94.8	Very high	58 Å²	58	35.9 Å²	35.9	23%	0.227	17%	0.174	C	C	.	.			trans	-149	68.4	169.2	-167.7	-121.2	0	0	0	111.1	N420 E421 W521 Y596 Y625 T629 D644 N645	N420-Y627 HydrophobicContact CB-CD1 4.48Å; E421-Y627 HydrophobicContact CG-CE1 4.14Å; W521-Y627 HydrophobicContact CZ3-CE1 4.47Å; W521-Y627 WeakPolarHBondContact CZ3-OH 3.44Å; Y596-Y627 HydrophobicContact CD2-CD2 4.41Å; Y596-Y627 HydrophobicContact CD2-CE2 4.27Å; Y596-Y627 HydrophobicContact CE2-CE2 4.21Å; Y596-Y627 CarbonylContact O-C 3.55Å; Y596-Y627 VanDerWaalsContact O-CA 3.28Å; Y596-Y627 WeakPolarHBondContact O-CA 3.36Å; Y625-Y627 VanDerWaalsContact C-N 3.28Å; Y625-Y627 PolarHBondContact O-N 3.48Å; Y627-T629 HydrophobicContact CD1-CG2 3.95Å; Y627-T629 HydrophobicContact CE1-CG2 3.98Å; Y627-T629 WeakPolarHBondContact O-CG2 3.43Å; Y627-D644 WeakPolarHBondContact CA-OD1 3.48Å; Y627-D644 PolarHBondContact N-OD1 3.44Å; Y627-D644 WeakPolarHBondContact O-CA 3.17Å; Y627-N645 PolarHBondContact O-N 3.02Å
628	T	93.8	Very high	94.8	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.006	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	130.2	179.1	-66.4	0	0	0	0	110.8	Y596 N623 I631 D644	Y596-T628 PolarHBondContact O-N 3.23Å; N623-T628 VanDerWaalsContact CG-OG1 3.31Å; N623-T628 VanDerWaalsContact OD1-CB 3.32Å; N623-T628 WeakPolarHBondContact OD1-CB 3.26Å; N623-T628 PolarHBondContact OD1-OG1 3.22Å; T628-I631 HydrophobicContact CG2-CD1 3.93Å; T628-I631 HydrophobicContact CG2-CG1 3.58Å; T628-D644 PolarHBondContact N-OD1 2.99Å
629	T	93.4	Very high	94.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	-14.5	-170.8	68.3	0	0	0	0	113.3	E421 G422 T473 W521 Y627 W643	E421-T629 HydrophobicContact CB-CG2 4.35Å; G422-T629 PolarHBondContact O-OG1 2.86Å; T473-T629 VanDerWaalsContact CB-O 3.29Å; T473-T629 WeakPolarHBondContact CB-O 3.28Å; T473-T629 PolarHBondContact OG1-O 3.45Å; W521-T629 HydrophobicContact CH2-CG2 3.6Å; W521-T629 HydrophobicContact CZ3-CG2 4.35Å; Y627-T629 HydrophobicContact CD1-CG2 3.95Å; Y627-T629 HydrophobicContact CE1-CG2 3.98Å; Y627-T629 WeakPolarHBondContact O-CG2 3.43Å; T629-W643 PolarHBondContact N-O 3.33Å; T629-W643 VanDerWaalsContact OG1-CD1 3.23Å; T629-W643 PolarHBondContact OG1-O 3.05Å
630	Q	95.6	Very high	94.9	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	138.1	-179	177	-142.9	-0.1	0	0	107.8	A423 W424 N582 D632 A642 W643	A423-Q630 VanDerWaalsContact CA-OE1 3.3Å; A423-Q630 HydrophobicContact CB-CB 4.17Å; A423-Q630 HydrophobicContact CB-CG 3.77Å; W424-Q630 VanDerWaalsContact CD1-OE1 3.31Å; W424-Q630 PolarHBondContact O-NE2 2.9Å; N582-Q630 VanDerWaalsContact OD1-C 3.27Å; N582-Q630 VanDerWaalsContact OD1-CA 3.3Å; N582-Q630 WeakPolarHBondContact OD1-CA 3.39Å; Q630-D632 WeakPolarHBondContact CG-OD2 3.22Å; Q630-D632 PolarHBondContact NE2-OD2 3.21Å; Q630-A642 WeakPolarHBondContact O-CA 3.45Å; Q630-A642 WeakPolarHBondContact O-CB 3.41Å; Q630-W643 HydrophobicContact CB-CB 3.93Å; Q630-W643 PolarHBondContact O-N 2.82Å
631	I	96.5	Very high	95	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.015	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	100	162.8	-50	174.5	0	0	0	108.2	N582 F584 V593 F621 T628 L640 Y641 A642	N582-I631 HydrophobicContact CB-CB 4.16Å; N582-I631 HydrophobicContact CB-CD1 3.58Å; N582-I631 HydrophobicContact CB-CG1 3.73Å; N582-I631 PolarHBondContact OD1-N 2.79Å; F584-I631 HydrophobicContact CD1-CB 4.35Å; F584-I631 HydrophobicContact CD1-CG2 3.64Å; F584-I631 HydrophobicContact CE1-CG2 4.11Å; F584-I631 HydrophobicContact CG-CG2 4.41Å; V593-I631 HydrophobicContact CB-CD1 4.18Å; V593-I631 HydrophobicContact CG2-CD1 3.71Å; F621-I631 HydrophobicContact CE1-CD1 3.56Å; F621-I631 HydrophobicContact CZ-CD1 3.54Å; F621-I631 HydrophobicContact CZ-CG1 4.29Å; T628-I631 HydrophobicContact CG2-CD1 3.93Å; T628-I631 HydrophobicContact CG2-CG1 3.58Å; I631-L640 HydrophobicContact CG2-CB 4.23Å; I631-L640 HydrophobicContact CG2-CD1 4.21Å; I631-L640 HydrophobicContact CG2-CD2 4.41Å; I631-Y641 CarbonylContact C-O 3.54Å; I631-Y641 WeakPolarHBondContact CA-O 3.39Å; I631-A642 HydrophobicContact CG1-CB 4.36Å
632	D	96.5	Very high	95	Very high	10 Å²	10	25 Å²	25	5%	0.053	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	140.9	179	-76.9	-46.2	0	0	0	111.7	Q630 L640 Y641	Q630-D632 WeakPolarHBondContact CG-OD2 3.22Å; Q630-D632 PolarHBondContact NE2-OD2 3.21Å; D632-L640 CarbonylContact O-C 3.56Å; D632-L640 WeakPolarHBondContact O-CA 3.23Å; D632-Y641 PolarHBondContact N-O 3.19Å; D632-Y641 PolarHBondContact O-N 2.68Å
633	Y	97.6	Very high	95.1	Very high	11 Å²	11	23.3 Å²	23.3	4%	0.043	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	148	170.9	178.9	-124.8	0	0	0	112.5	E533 I585 I586 P635 L640 I653	E533-Y633 VanDerWaalsContact OE1-CE1 3.24Å; E533-Y633 WeakPolarHBondContact OE1-CE1 3.46Å; E533-Y633 PolarHBondContact OE1-OH 3.29Å; I585-Y633 VanDerWaalsContact O-CD1 3.27Å; I585-Y633 WeakPolarHBondContact O-CD1 3.21Å; I586-Y633 HydrophobicContact CB-CD1 4.24Å; I586-Y633 HydrophobicContact CB-CE1 4.14Å; I586-Y633 HydrophobicContact CD1-CD2 4.24Å; I586-Y633 HydrophobicContact CD1-CE2 4.4Å; I586-Y633 HydrophobicContact CD1-CG 4.48Å; I586-Y633 HydrophobicContact CG1-CD1 3.74Å; I586-Y633 HydrophobicContact CG1-CD2 3.9Å; I586-Y633 HydrophobicContact CG1-CE1 3.98Å; I586-Y633 HydrophobicContact CG1-CE2 4.17Å; I586-Y633 HydrophobicContact CG1-CG 3.69Å; I586-Y633 HydrophobicContact CG2-CD1 4.34Å; I586-Y633 HydrophobicContact CG2-CE1 3.74Å; I586-Y633 HydrophobicContact CG2-CE2 4.47Å; Y633-P635 HydrophobicContact CD1-CB 4.33Å; Y633-P635 HydrophobicContact CE1-CB 3.64Å; Y633-P635 HydrophobicContact CE1-CG 4.42Å; Y633-L640 HydrophobicContact CD2-CD2 4.09Å; Y633-L640 HydrophobicContact CG-CD2 4.49Å; Y633-I653 HydrophobicContact CD2-CD1 4.24Å; Y633-I653 HydrophobicContact CE2-CD1 3.67Å
634	N	96.4	Very high	95.2	Very high	4 Å²	4	23.3 Å²	23.3	2%	0.021	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	97.3	174.2	-175.9	-20.4	0	0	0	111.1	K636 E637 K638 V639 Y641	N634-K636 PolarHBondContact O-N 2.79Å; N634-K636 VanDerWaalsContact O-N 3.09Å; N634-K636 WeakPolarHBondContact OD1-CB 3.27Å; N634-K636 PolarHBondContact OD1-N 3.48Å; N634-E637 PolarHBondContact O-N 3.3Å; N634-E637 VanDerWaalsContact O-N 3.14Å; N634-E637 PolarHBondContact OD1-N 3.48Å; N634-K638 PolarHBondContact O-N 3.42Å; N634-V639 PolarHBondContact N-O 3.11Å; N634-V639 VanDerWaalsContact N-O 3.15Å; N634-Y641 HydrophobicContact CB-CD2 3.73Å; N634-Y641 HydrophobicContact CB-CE2 3.64Å; N634-Y641 VanDerWaalsContact ND2-CE2 3.29Å; N634-Y641 WeakPolarHBondContact ND2-CE2 3.4Å
635	P	94.9	Very high	95.2	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.013	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-10.8	-174.1	28.7	-38.5	0	0	0	114.8	L399 P428 V531 E533 Y633	L399-P635 HydrophobicContact CD1-CB 3.96Å; L399-P635 HydrophobicContact CD1-CG 3.87Å; P428-P635 HydrophobicContact CB-CG 3.97Å; P428-P635 HydrophobicContact CG-CG 4.24Å; V531-P635 HydrophobicContact CG1-CG 4.24Å; E533-P635 HydrophobicContact CG-CB 4.26Å; E533-P635 WeakPolarHBondContact OE1-CB 3.41Å; Y633-P635 HydrophobicContact CD1-CB 4.33Å; Y633-P635 HydrophobicContact CE1-CB 3.64Å; Y633-P635 HydrophobicContact CE1-CG 4.42Å
636	K	93.6	Very high	95.3	Very high	74 Å²	74	19.2 Å²	19.2	32%	0.322	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-34.8	174.5	-179.4	-155	-176.1	179.5	0	112.2	P428 A430 D432 N634	P428-K636 HydrophobicContact CB-CB 3.68Å; P428-K636 WeakPolarHBondContact O-CB 3.05Å; P428-K636 WeakPolarHBondContact O-CD 3.35Å; P428-K636 WeakPolarHBondContact O-CG 3.37Å; A430-K636 WeakPolarHBondContact O-CE 3.39Å; A430-K636 PolarHBondContact O-NZ 3.12Å; D432-K636 PolarHBondContact O-NZ 2.81Å; N634-K636 PolarHBondContact O-N 2.79Å; N634-K636 VanDerWaalsContact O-N 3.09Å; N634-K636 WeakPolarHBondContact OD1-CB 3.27Å; N634-K636 PolarHBondContact OD1-N 3.48Å
637	E	93.3	Very high	95.5	Very high	66 Å²	66	19.3 Å²	19.3	31%	0.308	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-10	-174.3	-65.6	-177	171.6	0	0	112.9	K426 N634 V639 Y641	K426-E637 WeakPolarHBondContact CD-OE1 3.49Å; K426-E637 IonicContact NZ-OE1 2.68Å; K426-E637 PolarHBondContact NZ-OE1 3.17Å; K426-E637 IonicContact NZ-OE2 2.77Å; K426-E637 PolarHBondContact NZ-OE2 2.97Å; N634-E637 PolarHBondContact O-N 3.3Å; N634-E637 VanDerWaalsContact O-N 3.14Å; N634-E637 PolarHBondContact OD1-N 3.48Å; E637-V639 HydrophobicContact CB-CG2 4.1Å; E637-V639 PolarHBondContact O-N 2.88Å; E637-Y641 PolarHBondContact OE2-OH 2.99Å
638	K	94.1	Very high	95.7	Very high	48 Å²	48	16.5 Å²	16.5	21%	0.209	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	48.3	176.4	-56.6	-167	175.9	-172.2	0	112.9	D400 E402 N634 I653 F655	D400-K638 PolarHBondContact O-NZ 3.11Å; E402-K638 VanDerWaalsContact CG-NZ 3.33Å; E402-K638 WeakPolarHBondContact OE1-CD 3.48Å; E402-K638 IonicContact OE1-NZ 3.9Å; E402-K638 PolarHBondContact OE1-NZ 3.38Å; E402-K638 VanDerWaalsContact OE2-CD 3.25Å; E402-K638 WeakPolarHBondContact OE2-CD 3.22Å; E402-K638 IonicContact OE2-NZ 3.71Å; N634-K638 PolarHBondContact O-N 3.42Å; K638-I653 WeakPolarHBondContact O-CG1 3.42Å; K638-F655 HydrophobicContact CD-CE2 4.4Å
639	V	96.1	Very high	95.8	Very high	18 Å²	18	16.5 Å²	16.5	11%	0.109	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	154.7	176.7	-62.6	0	0	0	0	110.2	N634 E637 Y641 Y651	N634-V639 PolarHBondContact N-O 3.11Å; N634-V639 VanDerWaalsContact N-O 3.15Å; E637-V639 HydrophobicContact CB-CG2 4.1Å; E637-V639 PolarHBondContact O-N 2.88Å; V639-Y641 HydrophobicContact CG2-CD2 4.01Å; V639-Y641 HydrophobicContact CG2-CE2 3.5Å; V639-Y651 WeakPolarHBondContact CA-O 3.34Å; V639-Y651 WeakPolarHBondContact CB-O 3.27Å
640	L	97.6	Very high	96	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	129	168.5	-58.1	170.8	0	0	0	109.7	I408 F584 I631 D632 Y633 T650 Y651 I653	I408-L640 HydrophobicContact CD1-CD1 4.08Å; I408-L640 HydrophobicContact CG2-CD1 4.36Å; F584-L640 HydrophobicContact CB-CD2 4.46Å; F584-L640 HydrophobicContact CD1-CD2 4.29Å; F584-L640 HydrophobicContact CD2-CD2 3.72Å; F584-L640 HydrophobicContact CE1-CD1 4.06Å; F584-L640 HydrophobicContact CE1-CD2 4.48Å; F584-L640 HydrophobicContact CE2-CD1 4.27Å; F584-L640 HydrophobicContact CE2-CD2 3.93Å; F584-L640 HydrophobicContact CG-CD2 3.91Å; F584-L640 HydrophobicContact CZ-CD1 3.91Å; F584-L640 HydrophobicContact CZ-CD2 4.31Å; I631-L640 HydrophobicContact CG2-CB 4.23Å; I631-L640 HydrophobicContact CG2-CD1 4.21Å; I631-L640 HydrophobicContact CG2-CD2 4.41Å; D632-L640 CarbonylContact O-C 3.56Å; D632-L640 WeakPolarHBondContact O-CA 3.23Å; Y633-L640 HydrophobicContact CD2-CD2 4.09Å; Y633-L640 HydrophobicContact CG-CD2 4.49Å; L640-T650 WeakPolarHBondContact O-CA 3.47Å; L640-Y651 HydrophobicContact CB-CD2 4.23Å; L640-Y651 PolarHBondContact N-O 2.86Å; L640-Y651 PolarHBondContact O-N 3.35Å; L640-I653 HydrophobicContact CD1-CG2 3.93Å; L640-I653 HydrophobicContact CG-CG2 3.93Å
641	Y	97.6	Very high	96.1	Very high	7 Å²	7	17.1 Å²	17.1	3%	0.027	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	123.2	171.6	-82	-105.8	0	0	0	109.1	W424 K426 I631 D632 N634 E637 V639	W424-Y641 AromaticContact CD2-CD1 3.82Å; W424-Y641 HydrophobicContact CD2-CD1 3.82Å; W424-Y641 HydrophobicContact CD2-CE1 4.29Å; W424-Y641 AromaticContact CE2-CD1 3.59Å; W424-Y641 AromaticContact CE3-CD1 3.98Å; W424-Y641 HydrophobicContact CE3-CD1 3.98Å; W424-Y641 AromaticContact CE3-CE1 3.98Å; W424-Y641 HydrophobicContact CE3-CE1 3.98Å; W424-Y641 AromaticContact CH2-CD1 3.66Å; W424-Y641 HydrophobicContact CH2-CD1 3.66Å; W424-Y641 AromaticContact CH2-CE1 3.44Å; W424-Y641 HydrophobicContact CH2-CE1 3.44Å; W424-Y641 VanDerWaalsContact CH2-CE1 3.44Å; W424-Y641 AromaticContact CZ2-CD1 3.52Å; W424-Y641 HydrophobicContact CZ2-CD1 3.52Å; W424-Y641 AromaticContact CZ2-CE1 3.84Å; W424-Y641 HydrophobicContact CZ2-CE1 3.84Å; W424-Y641 HydrophobicContact CZ2-CG 4.36Å; W424-Y641 AromaticContact CZ3-CD1 3.91Å; W424-Y641 HydrophobicContact CZ3-CD1 3.91Å; W424-Y641 AromaticContact CZ3-CE1 3.55Å; W424-Y641 HydrophobicContact CZ3-CE1 3.55Å; K426-Y641 WeakPolarHBondContact CD-OH 3.24Å; K426-Y641 WeakPolarHBondContact CE-OH 3.32Å; K426-Y641 HydrophobicContact CG-CE1 4.11Å; K426-Y641 PolarHBondContact NZ-OH 3.36Å; I631-Y641 CarbonylContact C-O 3.54Å; I631-Y641 WeakPolarHBondContact CA-O 3.39Å; D632-Y641 PolarHBondContact N-O 3.19Å; D632-Y641 PolarHBondContact O-N 2.68Å; N634-Y641 HydrophobicContact CB-CD2 3.73Å; N634-Y641 HydrophobicContact CB-CE2 3.64Å; N634-Y641 VanDerWaalsContact ND2-CE2 3.29Å; N634-Y641 WeakPolarHBondContact ND2-CE2 3.4Å; E637-Y641 PolarHBondContact OE2-OH 2.99Å; V639-Y641 HydrophobicContact CG2-CD2 4.01Å; V639-Y641 HydrophobicContact CG2-CE2 3.5Å
642	A	96.9	Very high	96.1	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	155.7	-179.8	0	0	0	0	0	113.7	W424 Q630 I631 I649 Y651	W424-A642 PolarHBondContact NE1-O 2.87Å; Q630-A642 WeakPolarHBondContact O-CA 3.45Å; Q630-A642 WeakPolarHBondContact O-CB 3.41Å; I631-A642 HydrophobicContact CG1-CB 4.36Å; A642-I649 HydrophobicContact CB-CD1 4.27Å; A642-I649 HydrophobicContact CB-CG1 3.81Å; A642-I649 PolarHBondContact N-O 3.46Å; A642-I649 PolarHBondContact O-N 3.44Å; A642-Y651 HydrophobicContact CB-CD2 4.22Å; A642-Y651 HydrophobicContact CB-CE2 3.67Å
643	W	96.7	Very high	96.1	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	104.3	178.7	-170.1	-65.7	0	0	0	110	Y417 R419 N420 E421 G422 W424 V437 T629 Q630 H647 Q648	Y417-W643 VanDerWaalsContact O-CH2 3.25Å; Y417-W643 WeakPolarHBondContact O-CH2 3.2Å; Y417-W643 WeakPolarHBondContact O-CZ2 3.24Å; R419-W643 WeakPolarHBondContact O-CZ2 3.34Å; R419-W643 PolarHBondContact O-NE1 3.02Å; R419-W643 VanDerWaalsContact O-NE1 3.14Å; N420-W643 PolarHBondContact O-NE1 3.02Å; E421-W643 VanDerWaalsContact C-NE1 3.33Å; G422-W643 WeakPolarHBondContact O-CB 3.44Å; W424-W643 HydrophobicContact CB-CE3 4.1Å; W424-W643 HydrophobicContact CB-CZ3 4.14Å; W424-W643 HydrophobicContact CG-CE3 4.32Å; V437-W643 HydrophobicContact CG1-CH2 4.02Å; V437-W643 HydrophobicContact CG1-CZ3 3.84Å; T629-W643 PolarHBondContact N-O 3.33Å; T629-W643 VanDerWaalsContact OG1-CD1 3.23Å; T629-W643 PolarHBondContact OG1-O 3.05Å; Q630-W643 HydrophobicContact CB-CB 3.93Å; Q630-W643 PolarHBondContact O-N 2.82Å; W643-H647 WeakPolarHBondContact CA-O 3.22Å; W643-Q648 HydrophobicContact CD2-CG 4.31Å; W643-Q648 HydrophobicContact CE3-CG 3.66Å; W643-Q648 VanDerWaalsContact CE3-NE2 3.33Å; W643-Q648 HydrophobicContact CZ3-CG 3.79Å
644	D	95.7	Very high	95.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	110.3	-175.9	-176	2.9	0	0	0	109.8	N623 E624 Y625 A626 Y627 T628 G646 H647 I649	N623-D644 VanDerWaalsContact C-OD2 3.23Å; E624-D644 PolarHBondContact N-OD2 3.38Å; E624-D644 VanDerWaalsContact N-OD2 3.16Å; Y625-D644 VanDerWaalsContact C-OD1 3.26Å; Y625-D644 WeakPolarHBondContact CA-OD2 3.48Å; Y625-D644 WeakPolarHBondContact CB-OD1 3.44Å; Y625-D644 HydrophobicContact CD2-CB 4.29Å; Y625-D644 PolarHBondContact N-OD2 2.81Å; A626-D644 PolarHBondContact N-OD1 2.92Å; A626-D644 PolarHBondContact N-OD2 2.89Å; Y627-D644 WeakPolarHBondContact CA-OD1 3.48Å; Y627-D644 PolarHBondContact N-OD1 3.44Å; Y627-D644 WeakPolarHBondContact O-CA 3.17Å; T628-D644 PolarHBondContact N-OD1 2.99Å; D644-G646 VanDerWaalsContact C-N 3.29Å; D644-G646 PolarHBondContact O-N 3.26Å; D644-G646 VanDerWaalsContact O-N 3.13Å; D644-H647 PolarHBondContact N-O 3.44Å; D644-H647 WeakPolarHBondContact O-CA 3.43Å; D644-H647 WeakPolarHBondContact O-CB 3.34Å; D644-H647 PolarHBondContact O-N 3.4Å; D644-H647 PolarHBondContact O-ND1 3.04Å; D644-I649 HydrophobicContact CB-CD1 3.71Å
645	N	94.6	Very high	95.8	Very high	55 Å²	55	25 Å²	25	29%	0.294	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	45.5	174.9	-146	-9.4	0	0	0	114.1	N420 Y625 Y627 H647	N420-N645 PolarHBondContact ND2-OD1 3.42Å; N420-N645 CarbonylContact O-C 3.55Å; Y625-N645 PolarHBondContact O-ND2 3.18Å; Y627-N645 PolarHBondContact O-N 3.02Å; N645-H647 VanDerWaalsContact C-N 3.31Å; N645-H647 PolarHBondContact O-N 2.98Å; N645-H647 PolarHBondContact O-ND1 3.4Å
646	G	94.8	Very high	95.5	Very high	10 Å²	10	26.8 Å²	26.8	10%	0.103	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	11.3	-178.7	0	0	0	0	0	115.5	S416 Y417 R419 N420 D644 Q648	S416-G646 WeakPolarHBondContact CA-O 3.34Å; Y417-G646 PolarHBondContact N-O 2.84Å; R419-G646 WeakPolarHBondContact O-CA 3.46Å; N420-G646 PolarHBondContact O-N 3.4Å; D644-G646 VanDerWaalsContact C-N 3.29Å; D644-G646 PolarHBondContact O-N 3.26Å; D644-G646 VanDerWaalsContact O-N 3.13Å; G646-Q648 PolarHBondContact O-NE2 3.47Å
647	H	96.8	Very high	94.4	Very high	37 Å²	37	31 Å²	31	17%	0.171	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	132.3	173.9	-62.6	64.7	0	0	0	110	K413 S416 Y625 W643 D644 N645 I649	K413-H647 VanDerWaalsContact CE-CD2 3.42Å; K413-H647 WeakPolarHBondContact CE-CD2 3.36Å; K413-H647 PolarHBondContact NZ-CD2 2.87Å; K413-H647 PolarHBondContact NZ-NE2 2.96Å; S416-H647 PolarHBondContact OG-CD2 3.35Å; S416-H647 PolarHBondContact OG-NE2 2.91Å; Y625-H647 AromaticContact CD1-CE1 3.96Å; Y625-H647 HydrophobicContact CD2-CB 3.59Å; Y625-H647 AromaticContact CD2-CD2 3.86Å; Y625-H647 AromaticContact CD2-CG 3.47Å; Y625-H647 VanDerWaalsContact CD2-CG 3.47Å; Y625-H647 AromaticContact CD2-ND1 3.84Å; Y625-H647 AromaticContact CE1-CD2 3.74Å; Y625-H647 AromaticContact CE1-NE2 3.68Å; Y625-H647 HydrophobicContact CE2-CB 3.53Å; Y625-H647 AromaticContact CE2-CD2 3.31Å; Y625-H647 WeakPolarHBondContact CE2-CD2 3.46Å; Y625-H647 AromaticContact CE2-CG 3.36Å; Y625-H647 HydrophobicContact CG-CB 4.46Å; Y625-H647 AromaticContact CG-CG 3.95Å; Y625-H647 AromaticContact CG-ND1 3.85Å; Y625-H647 AromaticContact CZ-CD2 3.26Å; Y625-H647 AromaticContact CZ-CG 3.78Å; Y625-H647 AromaticContact CZ-NE2 3.7Å; W643-H647 WeakPolarHBondContact CA-O 3.22Å; D644-H647 PolarHBondContact N-O 3.44Å; D644-H647 WeakPolarHBondContact O-CA 3.43Å; D644-H647 WeakPolarHBondContact O-CB 3.34Å; D644-H647 PolarHBondContact O-N 3.4Å; D644-H647 PolarHBondContact O-ND1 3.04Å; N645-H647 VanDerWaalsContact C-N 3.31Å; N645-H647 PolarHBondContact O-N 2.98Å; N645-H647 PolarHBondContact O-ND1 3.4Å; H647-I649 HydrophobicContact CB-CG2 4.01Å
648	Q	96.8	Very high	92.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	112.5	173.6	-68	81.3	42.6	0	0	107.7	Q414 H415 Y417 W424 F455 W643 G646	Q414-Q648 WeakPolarHBondContact CA-O 3.44Å; Q414-Q648 WeakPolarHBondContact CB-O 3.49Å; Q414-Q648 PolarHBondContact N-O 3.47Å; H415-Q648 PolarHBondContact N-O 2.82Å; H415-Q648 VanDerWaalsContact N-O 3.14Å; H415-Q648 PolarHBondContact O-N 3.29Å; Y417-Q648 PolarHBondContact O-NE2 3.08Å; W424-Q648 HydrophobicContact CB-CG 4.22Å; W424-Q648 HydrophobicContact CD2-CB 3.75Å; W424-Q648 HydrophobicContact CD2-CG 3.93Å; W424-Q648 HydrophobicContact CE3-CB 4.3Å; W424-Q648 HydrophobicContact CG-CB 4Å; W424-Q648 HydrophobicContact CG-CG 3.67Å; W424-Q648 HydrophobicContact CZ2-CB 4.16Å; F455-Q648 HydrophobicContact CE1-CB 4.01Å; F455-Q648 HydrophobicContact CE1-CG 4.31Å; F455-Q648 HydrophobicContact CZ-CB 3.94Å; F455-Q648 HydrophobicContact CZ-CG 3.73Å; W643-Q648 HydrophobicContact CD2-CG 4.31Å; W643-Q648 HydrophobicContact CE3-CG 3.66Å; W643-Q648 VanDerWaalsContact CE3-NE2 3.33Å; W643-Q648 HydrophobicContact CZ3-CG 3.79Å; G646-Q648 PolarHBondContact O-NE2 3.47Å
649	I	96.7	Very high	92.3	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	148.9	-171.7	68.8	-179	0	0	0	110.1	P411 E412 W424 Y625 A642 D644 H647 Y651	P411-I649 HydrophobicContact CB-CB 4.23Å; P411-I649 HydrophobicContact CB-CD1 3.9Å; P411-I649 HydrophobicContact CB-CG1 4.4Å; E412-I649 CarbonylContact O-C 3.59Å; E412-I649 VanDerWaalsContact O-CA 3.3Å; E412-I649 WeakPolarHBondContact O-CA 3.23Å; W424-I649 WeakPolarHBondContact CZ2-O 3.46Å; Y625-I649 HydrophobicContact CE2-CG2 4.2Å; A642-I649 HydrophobicContact CB-CD1 4.27Å; A642-I649 HydrophobicContact CB-CG1 3.81Å; A642-I649 PolarHBondContact N-O 3.46Å; A642-I649 PolarHBondContact O-N 3.44Å; D644-I649 HydrophobicContact CB-CD1 3.71Å; H647-I649 HydrophobicContact CB-CG2 4.01Å; I649-Y651 HydrophobicContact CD1-CE2 3.8Å; I649-Y651 WeakPolarHBondContact CD1-OH 3.4Å; I649-Y651 HydrophobicContact CG1-CE2 4.07Å
650	T	97.5	Very high	92.1	Very high	12 Å²	12	38.2 Å²	38.2	7%	0.074	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	134.7	174	44.7	0	0	0	0	109.9	E412 Q414 W424 L640	E412-T650 PolarHBondContact N-O 3.16Å; E412-T650 PolarHBondContact O-N 2.99Å; E412-T650 PolarHBondContact O-OG1 3.04Å; Q414-T650 HydrophobicContact CG-CG2 3.91Å; Q414-T650 PolarHBondContact NE2-OG1 3.48Å; W424-T650 HydrophobicContact CH2-CG2 3.66Å; W424-T650 HydrophobicContact CZ2-CG2 3.63Å; L640-T650 WeakPolarHBondContact O-CA 3.47Å
651	Y	97.7	Very high	91.8	Very high	1 Å²	1	40.3 Å²	40.3	0%	0.004	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	128.1	167.4	-53.9	-100	0	0	0	109.1	I408 E409 P411 F621 T622 V639 L640 A642 I649	I408-Y651 HydrophobicContact CG2-CD1 3.84Å; I408-Y651 HydrophobicContact CG2-CG 3.98Å; E409-Y651 WeakPolarHBondContact O-CD1 3.45Å; P411-Y651 HydrophobicContact CB-CD1 3.94Å; P411-Y651 HydrophobicContact CB-CE1 3.56Å; P411-Y651 HydrophobicContact CG-CE1 3.9Å; F621-Y651 HydrophobicContact CD2-CE1 4.31Å; F621-Y651 AromaticContact CE2-CD1 3.97Å; F621-Y651 HydrophobicContact CE2-CD1 3.97Å; F621-Y651 HydrophobicContact CE2-CD2 4.08Å; F621-Y651 AromaticContact CE2-CE1 3.69Å; F621-Y651 HydrophobicContact CE2-CE1 3.69Å; F621-Y651 AromaticContact CE2-CE2 3.81Å; F621-Y651 HydrophobicContact CE2-CE2 3.81Å; F621-Y651 HydrophobicContact CE2-CG 4.15Å; F621-Y651 AromaticContact CE2-CZ 3.62Å; F621-Y651 HydrophobicContact CZ-CD2 4.16Å; F621-Y651 AromaticContact CZ-CE1 3.9Å; F621-Y651 HydrophobicContact CZ-CE1 3.9Å; F621-Y651 AromaticContact CZ-CE2 3.48Å; F621-Y651 HydrophobicContact CZ-CE2 3.48Å; F621-Y651 VanDerWaalsContact CZ-CE2 3.48Å; F621-Y651 AromaticContact CZ-CZ 3.33Å; F621-Y651 WeakPolarHBondContact CZ-OH 3.46Å; T622-Y651 WeakPolarHBondContact O-CE1 3.38Å; T622-Y651 PolarHBondContact O-OH 3.21Å; V639-Y651 WeakPolarHBondContact CA-O 3.34Å; V639-Y651 WeakPolarHBondContact CB-O 3.27Å; L640-Y651 HydrophobicContact CB-CD2 4.23Å; L640-Y651 PolarHBondContact N-O 2.86Å; L640-Y651 PolarHBondContact O-N 3.35Å; A642-Y651 HydrophobicContact CB-CD2 4.22Å; A642-Y651 HydrophobicContact CB-CE2 3.67Å; I649-Y651 HydrophobicContact CD1-CE2 3.8Å; I649-Y651 WeakPolarHBondContact CD1-OH 3.4Å; I649-Y651 HydrophobicContact CG1-CE2 4.07Å
652	N	96.8	Very high	91.5	Very high	61 Å²	61	42.3 Å²	42.3	33%	0.326	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	150.5	163.2	-54.7	-36.3	0	0	0	108.7	E409	E409-N652 HydrophobicContact CB-CB 4.12Å; E409-N652 HydrophobicContact CG-CB 3.95Å; E409-N652 PolarHBondContact N-O 3.46Å; E409-N652 WeakPolarHBondContact OE2-CB 3.49Å; E409-N652 PolarHBondContact OE2-ND2 3.21Å
653	I	95.8	Very high	91.1	Very high	14 Å²	14	44.9 Å²	44.9	7%	0.072	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	148.8	176.7	57	167.6	0	0	0	110	L405 S407 I408 I586 Y633 K638 L640 F655	L405-I653 HydrophobicContact CD1-CB 3.63Å; L405-I653 HydrophobicContact CD1-CD1 4.2Å; L405-I653 HydrophobicContact CD1-CG1 4.47Å; L405-I653 HydrophobicContact CD1-CG2 3.84Å; S407-I653 WeakPolarHBondContact O-CA 3.23Å; I408-I653 HydrophobicContact CG1-CG2 4.18Å; I408-I653 HydrophobicContact CG2-CG2 4.36Å; I586-I653 HydrophobicContact CD1-CD1 3.8Å; Y633-I653 HydrophobicContact CD2-CD1 4.24Å; Y633-I653 HydrophobicContact CE2-CD1 3.67Å; K638-I653 WeakPolarHBondContact O-CG1 3.42Å; L640-I653 HydrophobicContact CD1-CG2 3.93Å; L640-I653 HydrophobicContact CG-CG2 3.93Å; I653-F655 HydrophobicContact CD1-CE1 4.36Å; I653-F655 HydrophobicContact CD1-CE2 3.9Å; I653-F655 HydrophobicContact CD1-CZ 3.58Å; I653-F655 HydrophobicContact CG1-CE2 4.24Å; I653-F655 HydrophobicContact CG1-CZ 4.39Å
654	H	94.4	Very high	90.8	Very high	89 Å²	89	47.9 Å²	47.9	41%	0.412	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	141.4	171.9	-63.5	-78.9	0	0	0	109.8	A406 S407 E409	A406-H654 WeakPolarHBondContact CB-O 3.38Å; A406-H654 PolarHBondContact N-O 3.49Å; S407-H654 PolarHBondContact N-O 3.14Å; S407-H654 PolarHBondContact O-N 3.28Å; E409-H654 IonicContact OE1-CD2 3.34Å; E409-H654 IonicContact OE1-CE1 3.68Å; E409-H654 IonicContact OE1-NE2 3.6Å; E409-H654 PolarHBondContact OE1-NE2 3.19Å
655	F	93.3	Very high	90.4	Very high	29 Å²	29	51.4 Å²	51.4	13%	0.127	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	162.9	176.3	-66.4	-82.4	0	0	0	110.8	E402 G403 T404 I586 K638 I653 D657	E402-F655 HydrophobicContact CB-CB 4.08Å; E402-F655 HydrophobicContact CB-CD1 4.14Å; E402-F655 HydrophobicContact CB-CD2 3.47Å; E402-F655 VanDerWaalsContact CB-CD2 3.47Å; E402-F655 HydrophobicContact CB-CE1 4.47Å; E402-F655 HydrophobicContact CB-CE2 3.88Å; E402-F655 HydrophobicContact CB-CG 3.61Å; E402-F655 HydrophobicContact CB-CZ 4.36Å; E402-F655 HydrophobicContact CG-CD2 4.42Å; E402-F655 VanDerWaalsContact OE2-CD2 3.28Å; E402-F655 WeakPolarHBondContact OE2-CD2 3.36Å; E402-F655 WeakPolarHBondContact OE2-CE2 3.17Å; G403-F655 VanDerWaalsContact O-CD1 3.29Å; G403-F655 WeakPolarHBondContact O-CD1 3.48Å; G403-F655 WeakPolarHBondContact O-CE1 3.22Å; T404-F655 CarbonylContact O-C 3.3Å; T404-F655 WeakPolarHBondContact O-CA 3.39Å; I586-F655 HydrophobicContact CG2-CE1 3.75Å; I586-F655 HydrophobicContact CG2-CZ 4Å; K638-F655 HydrophobicContact CD-CE2 4.4Å; I653-F655 HydrophobicContact CD1-CE1 4.36Å; I653-F655 HydrophobicContact CD1-CE2 3.9Å; I653-F655 HydrophobicContact CD1-CZ 3.58Å; I653-F655 HydrophobicContact CG1-CE2 4.24Å; I653-F655 HydrophobicContact CG1-CZ 4.39Å; F655-D657 PolarHBondContact O-N 2.9Å
656	V	89.2	Confident	90.1	Very high	40 Å²	40	51.1 Å²	51.1	24%	0.242	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-71.9	124.5	170.9	178.4	0	0	0	0	108.5	M378 T404 A406 Q658	M378-V656 HydrophobicContact CE-CG1 3.72Å; M378-V656 HydrophobicContact SD-CG1 4.01Å; M378-V656 HydrophobicContact SD-CG2 4.43Å; T404-V656 PolarHBondContact O-N 2.96Å; A406-V656 HydrophobicContact CB-CG2 3.72Å; V656-Q658 PolarHBondContact O-N 3.14Å
657	D	70.8	Confident	89.7	Confident	162 Å²	162	54.5 Å²	54.5	87%	0.866	27%	0.273	S	S	*	.	P	Polyproline II helix	trans	-55.9	130.1	171.7	-67.1	-51.1	0	0	0	110.5	F655	F655-D657 PolarHBondContact O-N 2.9Å
658	Q	50.9	Low	89.1	Confident	208 Å²	208	56.1 Å²	56.1	97%	0.972	28%	0.282	S	S	*	.			trans	-88.1	0	-178.7	-62.3	-175.4	20.9	0	0	112.9	E402 V656	E402-Q658 PolarHBondContact O-NE2 2.63Å; V656-Q658 PolarHBondContact O-N 3.14Å

Retrieved 658 of 658 residues in 591.4 ms (Link to these results)

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