A0A087XJ07_POEFO Loading...

GH3 domain containing

AlphaFold DB , UniProt , Accession A0A087XJ07, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 630 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	26.1	Very low	30.9	Very low	251 Å²	251	105 Å²	105	100%	1.236	63%	0.631	S	S	*	*				0	101.8	0	-71.6	170.9	172.9	0	0	107.6
2	G	26.3	Very low	31.2	Very low	79 Å²	79	104.8 Å²	104.8	81%	0.814	62%	0.623	S	S	*	*			trans	-105.8	117.7	-172.1	0	0	0	0	0	110.9	S4	G2-S4 PolarHBondContact O-N 3.33Å
3	C	24.6	Very low	31.6	Very low	112 Å²	112	103.9 Å²	103.9	76%	0.757	62%	0.623	S	S	*	*			trans	-56.4	124.7	170.4	-79.9	0	0	0	0	110.5	W5	C3-W5 PolarHBondContact O-N 2.98Å; C3-W5 VanDerWaalsContact O-N 3.12Å
4	S	29.8	Very low	32.1	Very low	74 Å²	74	106.5 Å²	106.5	52%	0.517	62%	0.623	S	S	.	*			trans	-67.8	102.5	174.4	174.6	0	0	0	0	110	G2 I6 G7 V8	G2-S4 PolarHBondContact O-N 3.33Å; S4-I6 PolarHBondContact O-N 3.46Å; S4-G7 PolarHBondContact O-N 3.27Å; S4-G7 PolarHBondContact OG-N 3.48Å; S4-V8 WeakPolarHBondContact O-CG2 3.16Å; S4-V8 PolarHBondContact O-N 2.62Å
5	W	27.6	Very low	32.2	Very low	215 Å²	215	102.7 Å²	102.7	81%	0.814	61%	0.608	S	S	*	*	H	α-helix	trans	-60	-21.2	171.7	-80.4	75.7	0	0	0	112.7	C3 A9	C3-W5 PolarHBondContact O-N 2.98Å; C3-W5 VanDerWaalsContact O-N 3.12Å; W5-A9 WeakPolarHBondContact O-CB 3.28Å; W5-A9 PolarHBondContact O-N 3.27Å
6	I	35.3	Very low	32.6	Very low	110 Å²	110	102.4 Å²	102.4	56%	0.564	61%	0.608	S	S	*	*	H	α-helix	trans	-75.3	-38.4	174.6	-60.8	170.3	0	0	0	110.3	S4 A9 V10	S4-I6 PolarHBondContact O-N 3.46Å; I6-A9 PolarHBondContact O-N 2.76Å; I6-V10 WeakPolarHBondContact O-CB 3.22Å; I6-V10 VanDerWaalsContact O-CG2 3.32Å; I6-V10 WeakPolarHBondContact O-CG2 3.25Å; I6-V10 PolarHBondContact O-N 2.92Å
7	G	30.9	Very low	33	Very low	32 Å²	32	105.2 Å²	105.2	33%	0.33	61%	0.61	S	S	.	*	H	α-helix	trans	-65	-40.7	169.7	0	0	0	0	0	111.6	S4 S11	S4-G7 PolarHBondContact O-N 3.27Å; S4-G7 PolarHBondContact OG-N 3.48Å; G7-S11 WeakPolarHBondContact O-CB 3.18Å; G7-S11 PolarHBondContact O-N 3.38Å; G7-S11 PolarHBondContact O-OG 2.84Å
8	V	34.5	Very low	33.1	Very low	69 Å²	69	103.3 Å²	103.3	42%	0.418	60%	0.604	S	S	.	*	H	α-helix	trans	-66.8	-38.1	176.7	177.5	0	0	0	0	111.8	S4 L12	S4-V8 WeakPolarHBondContact O-CG2 3.16Å; S4-V8 PolarHBondContact O-N 2.62Å; V8-L12 HydrophobicContact CG1-CD1 3.56Å; V8-L12 VanDerWaalsContact O-CB 3.26Å; V8-L12 WeakPolarHBondContact O-CB 3.29Å; V8-L12 VanDerWaalsContact O-CD1 3.3Å; V8-L12 WeakPolarHBondContact O-CD1 3.39Å; V8-L12 PolarHBondContact O-N 3.48Å
9	A	33.7	Very low	33.3	Very low	55 Å²	55	102.6 Å²	102.6	46%	0.455	60%	0.601	S	S	.	*	H	α-helix	trans	-71.7	-40.2	177.7	0	0	0	0	0	113	W5 I6 L12 C13	W5-A9 WeakPolarHBondContact O-CB 3.28Å; W5-A9 PolarHBondContact O-N 3.27Å; I6-A9 PolarHBondContact O-N 2.76Å; A9-L12 PolarHBondContact O-N 2.98Å; A9-C13 PolarHBondContact O-N 2.98Å; A9-C13 PolarHBondContact O-SG 3.41Å; A9-C13 VanDerWaalsContact O-SG 3.35Å
10	V	38.1	Very low	33.5	Very low	81 Å²	81	100.2 Å²	100.2	49%	0.491	59%	0.593	S	S	.	*	H	α-helix	trans	-69.5	-39.7	174.4	174.4	0	0	0	0	110.6	I6 C13 F14	I6-V10 WeakPolarHBondContact O-CB 3.22Å; I6-V10 VanDerWaalsContact O-CG2 3.32Å; I6-V10 WeakPolarHBondContact O-CG2 3.25Å; I6-V10 PolarHBondContact O-N 2.92Å; V10-C13 PolarHBondContact O-N 2.87Å; V10-F14 HydrophobicContact CG1-CD2 4.21Å; V10-F14 PolarHBondContact O-N 3.39Å
11	S	33.1	Very low	33.9	Very low	77 Å²	77	99.9 Å²	99.9	54%	0.538	59%	0.592	S	S	.	*	H	α-helix	trans	-70.3	-28.6	173.4	-65.1	0	0	0	0	113.1	G7 A15	G7-S11 WeakPolarHBondContact O-CB 3.18Å; G7-S11 PolarHBondContact O-N 3.38Å; G7-S11 PolarHBondContact O-OG 2.84Å; S11-A15 WeakPolarHBondContact O-CA 3.38Å; S11-A15 WeakPolarHBondContact O-CB 3.21Å; S11-A15 PolarHBondContact O-N 2.89Å
12	L	34.5	Very low	34.4	Very low	103 Å²	103	91.5 Å²	91.5	54%	0.539	56%	0.563	S	S	.	*	H	α-helix	trans	-71.4	-40.3	170.5	-109.8	109.2	0	0	0	111.1	V8 A9 F14 A15 V16	V8-L12 HydrophobicContact CG1-CD1 3.56Å; V8-L12 VanDerWaalsContact O-CB 3.26Å; V8-L12 WeakPolarHBondContact O-CB 3.29Å; V8-L12 VanDerWaalsContact O-CD1 3.3Å; V8-L12 WeakPolarHBondContact O-CD1 3.39Å; V8-L12 PolarHBondContact O-N 3.48Å; A9-L12 PolarHBondContact O-N 2.98Å; L12-F14 VanDerWaalsContact C-N 3.34Å; L12-A15 PolarHBondContact O-N 3.22Å; L12-V16 VanDerWaalsContact O-CB 3.31Å; L12-V16 WeakPolarHBondContact O-CB 3.37Å; L12-V16 WeakPolarHBondContact O-CG2 3.49Å; L12-V16 PolarHBondContact O-N 2.79Å
13	C	36	Very low	35.1	Very low	93 Å²	93	93 Å²	93	63%	0.628	56%	0.556	S	S	*	*	H	α-helix	trans	-62.8	-41.4	173.5	-72.9	0	0	0	0	111.4	A9 V10 F17	A9-C13 PolarHBondContact O-N 2.98Å; A9-C13 PolarHBondContact O-SG 3.41Å; A9-C13 VanDerWaalsContact O-SG 3.35Å; V10-C13 PolarHBondContact O-N 2.87Å; C13-F17 WeakPolarHBondContact O-CB 3.19Å; C13-F17 PolarHBondContact O-N 3.3Å; C13-F17 VanDerWaalsContact O-N 3.09Å
14	F	38.9	Very low	35.9	Very low	140 Å²	140	92 Å²	92	61%	0.614	55%	0.55	S	S	*	.	H	α-helix	trans	-70.8	-36.9	173.3	-95.1	-83.4	0	0	0	113	V10 L12 F17 S18	V10-F14 HydrophobicContact CG1-CD2 4.21Å; V10-F14 PolarHBondContact O-N 3.39Å; L12-F14 VanDerWaalsContact C-N 3.34Å; F14-F17 CarbonylContact O-C 3.58Å; F14-F17 WeakPolarHBondContact O-CB 3.3Å; F14-F17 PolarHBondContact O-N 2.92Å; F14-S18 WeakPolarHBondContact O-CB 3.21Å; F14-S18 PolarHBondContact O-N 3.49Å; F14-S18 PolarHBondContact O-OG 3.3Å
15	A	33.1	Very low	36.4	Very low	49 Å²	49	91.3 Å²	91.3	41%	0.405	56%	0.555	S	S	.	*	H	α-helix	trans	-69.9	-37.7	177.5	0	0	0	0	0	111.9	S11 L12 F17 S18 V19	S11-A15 WeakPolarHBondContact O-CA 3.38Å; S11-A15 WeakPolarHBondContact O-CB 3.21Å; S11-A15 PolarHBondContact O-N 2.89Å; L12-A15 PolarHBondContact O-N 3.22Å; A15-F17 VanDerWaalsContact C-N 3.3Å; A15-S18 PolarHBondContact O-N 3.46Å; A15-V19 VanDerWaalsContact O-CB 3.29Å; A15-V19 WeakPolarHBondContact O-CB 3.31Å; A15-V19 WeakPolarHBondContact O-CG2 3.42Å; A15-V19 PolarHBondContact O-N 3.01Å
16	V	39.7	Very low	37.3	Very low	99 Å²	99	89.4 Å²	89.4	60%	0.6	56%	0.555	S	S	*	*	H	α-helix	trans	-65	-37	171.4	171.9	0	0	0	0	110.4	L12 A20	L12-V16 VanDerWaalsContact O-CB 3.31Å; L12-V16 WeakPolarHBondContact O-CB 3.37Å; L12-V16 WeakPolarHBondContact O-CG2 3.49Å; L12-V16 PolarHBondContact O-N 2.79Å; V16-A20 VanDerWaalsContact O-CB 3.25Å; V16-A20 WeakPolarHBondContact O-CB 3.32Å; V16-A20 PolarHBondContact O-N 3.45Å
17	F	39.2	Very low	37.4	Very low	149 Å²	149	90.3 Å²	90.3	65%	0.654	57%	0.566	S	S	*	*	H	α-helix	trans	-67.4	-43	173.7	-151.3	-95.6	0	0	0	112.2	C13 F14 A15 A20 V21	C13-F17 WeakPolarHBondContact O-CB 3.19Å; C13-F17 PolarHBondContact O-N 3.3Å; C13-F17 VanDerWaalsContact O-N 3.09Å; F14-F17 CarbonylContact O-C 3.58Å; F14-F17 WeakPolarHBondContact O-CB 3.3Å; F14-F17 PolarHBondContact O-N 2.92Å; A15-F17 VanDerWaalsContact C-N 3.3Å; F17-A20 PolarHBondContact O-N 2.88Å; F17-V21 HydrophobicContact CD1-CG2 4.42Å; F17-V21 VanDerWaalsContact O-CG2 3.28Å; F17-V21 WeakPolarHBondContact O-CG2 3.25Å; F17-V21 PolarHBondContact O-N 3.35Å
18	S	34.8	Very low	38.2	Very low	71 Å²	71	97.8 Å²	97.8	50%	0.497	60%	0.597	S	S	.	*	H	α-helix	trans	-71.5	-35.7	178.6	-63.4	0	0	0	0	113	F14 A15 V21 A22	F14-S18 WeakPolarHBondContact O-CB 3.21Å; F14-S18 PolarHBondContact O-N 3.49Å; F14-S18 PolarHBondContact O-OG 3.3Å; A15-S18 PolarHBondContact O-N 3.46Å; S18-V21 PolarHBondContact O-N 3.35Å; S18-A22 WeakPolarHBondContact O-CB 3.36Å; S18-A22 PolarHBondContact O-N 3.3Å
19	V	36.4	Very low	38.7	Very low	90 Å²	90	98.6 Å²	98.6	55%	0.545	61%	0.611	S	S	.	*	H	α-helix	trans	-69.6	-38.3	172.9	171.4	0	0	0	0	110.3	A15 V21 A22 V23	A15-V19 VanDerWaalsContact O-CB 3.29Å; A15-V19 WeakPolarHBondContact O-CB 3.31Å; A15-V19 WeakPolarHBondContact O-CG2 3.42Å; A15-V19 PolarHBondContact O-N 3.01Å; V19-V21 VanDerWaalsContact C-N 3.35Å; V19-V21 PolarHBondContact O-N 3.45Å; V19-A22 PolarHBondContact O-N 2.72Å; V19-V23 HydrophobicContact CG1-CG2 4.03Å; V19-V23 VanDerWaalsContact O-CB 3.28Å; V19-V23 WeakPolarHBondContact O-CB 3.47Å; V19-V23 WeakPolarHBondContact O-CG2 3.23Å; V19-V23 PolarHBondContact O-N 3.16Å
20	A	37.2	Very low	38.9	Very low	54 Å²	54	104.8 Å²	104.8	45%	0.446	63%	0.633	S	S	.	*	H	α-helix	trans	-63.5	-38.9	172.8	0	0	0	0	0	112.3	V16 F17 S24	V16-A20 VanDerWaalsContact O-CB 3.25Å; V16-A20 WeakPolarHBondContact O-CB 3.32Å; V16-A20 PolarHBondContact O-N 3.45Å; F17-A20 PolarHBondContact O-N 2.88Å; A20-S24 WeakPolarHBondContact O-CB 3.28Å; A20-S24 PolarHBondContact O-N 3.41Å; A20-S24 PolarHBondContact O-OG 3.45Å
21	V	41.9	Very low	39.3	Very low	94 Å²	94	106 Å²	106	57%	0.57	64%	0.643	S	S	*	*	H	α-helix	trans	-72.2	-37.3	175.8	172.6	0	0	0	0	112	F17 S18 V19 S24	F17-V21 HydrophobicContact CD1-CG2 4.42Å; F17-V21 VanDerWaalsContact O-CG2 3.28Å; F17-V21 WeakPolarHBondContact O-CG2 3.25Å; F17-V21 PolarHBondContact O-N 3.35Å; S18-V21 PolarHBondContact O-N 3.35Å; V19-V21 VanDerWaalsContact C-N 3.35Å; V19-V21 PolarHBondContact O-N 3.45Å; V21-S24 PolarHBondContact O-N 3.24Å
22	A	37	Very low	40.1	Very low	75 Å²	75	107 Å²	107	62%	0.62	65%	0.647	S	S	*	*	H	α-helix	trans	-73.4	-36.4	178.7	0	0	0	0	0	113.3	S18 V19 S24 G25	S18-A22 WeakPolarHBondContact O-CB 3.36Å; S18-A22 PolarHBondContact O-N 3.3Å; V19-A22 PolarHBondContact O-N 2.72Å; A22-S24 VanDerWaalsContact C-N 3.27Å; A22-S24 PolarHBondContact O-N 3.49Å; A22-G25 PolarHBondContact O-N 2.68Å
23	V	41.7	Very low	40.8	Very low	110 Å²	110	106.5 Å²	106.5	67%	0.667	65%	0.65	S	S	*	*	H	α-helix	trans	-72.3	-23.1	175.3	173.6	0	0	0	0	111.5	V19 G25	V19-V23 HydrophobicContact CG1-CG2 4.03Å; V19-V23 VanDerWaalsContact O-CB 3.28Å; V19-V23 WeakPolarHBondContact O-CB 3.47Å; V19-V23 WeakPolarHBondContact O-CG2 3.23Å; V19-V23 PolarHBondContact O-N 3.16Å; V23-G25 VanDerWaalsContact C-N 3.31Å
24	S	40.2	Very low	41.4	Very low	91 Å²	91	108 Å²	108	64%	0.636	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	-5	175.2	-54.7	0	0	0	0	113.9	A20 V21 A22	A20-S24 WeakPolarHBondContact O-CB 3.28Å; A20-S24 PolarHBondContact O-N 3.41Å; A20-S24 PolarHBondContact O-OG 3.45Å; V21-S24 PolarHBondContact O-N 3.24Å; A22-S24 VanDerWaalsContact C-N 3.27Å; A22-S24 PolarHBondContact O-N 3.49Å
25	G	41.4	Very low	42.2	Very low	60 Å²	60	106.2 Å²	106.2	62%	0.619	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-1.6	-175.3	0	0	0	0	0	115.9	A22 V23	A22-G25 PolarHBondContact O-N 2.68Å; V23-G25 VanDerWaalsContact C-N 3.31Å
26	Q	46.8	Very low	43.1	Very low	176 Å²	176	108.1 Å²	108.1	82%	0.822	66%	0.66	S	S	*	*	S	Bend	trans	-137.7	70.6	-179.9	-72.9	-171.3	-13.4	0	0	111.5
27	T	36.1	Very low	43.5	Very low	129 Å²	129	106 Å²	106	79%	0.791	65%	0.653	S	S	*	*			trans	-177.9	126.3	143.3	29.7	0	0	0	0	108.9	A29	T27-A29 PolarHBondContact O-N 3.27Å
28	L	47.9	Very low	44.3	Very low	189 Å²	189	103.1 Å²	103.1	99%	0.99	65%	0.648	S	S	*	*			trans	-62.6	96.8	169.8	-93.4	90.1	0	0	0	110.3
29	A	44.4	Very low	45.3	Very low	85 Å²	85	101 Å²	101	70%	0.702	64%	0.637	S	S	*	*	S	Bend	trans	-170.2	126.4	148.3	0	0	0	0	0	107.8	T27	T27-A29 PolarHBondContact O-N 3.27Å
30	M	39.5	Very low	46.4	Very low	186 Å²	186	101.3 Å²	101.3	92%	0.916	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-55.5	124.8	178.3	-70.1	-118.8	-65.9	0	0	110.9
31	P	45	Very low	47.3	Very low	107 Å²	107	104.8 Å²	104.8	70%	0.695	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-76.1	151.5	171.9	31.3	-31.3	0	0	0	110.3
32	P	51.3	Low	48.6	Very low	96 Å²	96	103.1 Å²	103.1	62%	0.623	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-67.5	166.5	172.9	32	-33.6	0	0	0	110.1	L34	P32-L34 VanDerWaalsContact C-N 3.33Å; P32-L34 PolarHBondContact O-N 3.35Å
33	P	48.6	Very low	50.1	Low	93 Å²	93	105 Å²	105	60%	0.604	64%	0.64	S	S	*	*			trans	-77.2	80.3	-163.9	33.8	-35.2	0	0	0	111.5	T36	P33-T36 PolarHBondContact O-OG1 3.44Å
34	L	47.6	Very low	51.6	Low	124 Å²	124	102 Å²	102	65%	0.649	63%	0.627	S	S	*	*	H	α-helix	trans	-65.2	-26.7	160.8	-103.9	89.3	0	0	0	114.9	P32 T36 V38	P32-L34 VanDerWaalsContact C-N 3.33Å; P32-L34 PolarHBondContact O-N 3.35Å; L34-T36 VanDerWaalsContact C-N 3.35Å; L34-T36 PolarHBondContact O-N 3.18Å; L34-V38 WeakPolarHBondContact O-CG2 3.41Å; L34-V38 PolarHBondContact O-N 3.21Å
35	P	55.8	Low	53.3	Low	103 Å²	103	99.1 Å²	99.1	67%	0.669	61%	0.612	S	S	*	*	H	α-helix	trans	-68.3	-32.5	-175.7	-14.9	26.7	0	0	0	113.3	G39	P35-G39 PolarHBondContact O-N 3.34Å
36	T	52.6	Low	54.9	Low	89 Å²	89	101.7 Å²	101.7	55%	0.546	61%	0.609	S	S	.	*	H	α-helix	trans	-76.6	-39.9	-178.6	47.7	0	0	0	0	111.8	P33 L34 G39 V40	P33-T36 PolarHBondContact O-OG1 3.44Å; L34-T36 VanDerWaalsContact C-N 3.35Å; L34-T36 PolarHBondContact O-N 3.18Å; T36-G39 PolarHBondContact O-N 3.21Å; T36-V40 WeakPolarHBondContact O-CB 3.44Å; T36-V40 WeakPolarHBondContact O-CG2 3.39Å; T36-V40 PolarHBondContact O-N 3.37Å
37	A	48.8	Very low	56.4	Low	54 Å²	54	96.1 Å²	96.1	45%	0.446	59%	0.594	S	S	.	*	H	α-helix	trans	-64.5	-42.5	175.5	0	0	0	0	0	111.8	V40 L41	A37-V40 PolarHBondContact O-N 2.85Å; A37-L41 VanDerWaalsContact O-CB 3.3Å; A37-L41 WeakPolarHBondContact O-CB 3.07Å; A37-L41 WeakPolarHBondContact O-CD1 3.31Å; A37-L41 WeakPolarHBondContact O-CG 3.48Å; A37-L41 PolarHBondContact O-N 3.03Å
38	V	55.1	Low	58.6	Low	90 Å²	90	94.5 Å²	94.5	55%	0.545	58%	0.58	S	S	.	*	H	α-helix	trans	-68.4	-36.9	174.3	177.8	0	0	0	0	111.4	L34 S42	L34-V38 WeakPolarHBondContact O-CG2 3.41Å; L34-V38 PolarHBondContact O-N 3.21Å; V38-S42 VanDerWaalsContact O-CB 3.29Å; V38-S42 WeakPolarHBondContact O-CB 3.25Å; V38-S42 PolarHBondContact O-N 3.42Å; V38-S42 PolarHBondContact O-OG 3.09Å
39	G	56.2	Low	60.2	Low	26 Å²	26	89.2 Å²	89.2	27%	0.268	55%	0.552	S	S	.	*	H	α-helix	trans	-64.1	-43.4	173.8	0	0	0	0	0	113.1	P35 T36 S42 L43	P35-G39 PolarHBondContact O-N 3.34Å; T36-G39 PolarHBondContact O-N 3.21Å; G39-S42 WeakPolarHBondContact CA-OG 3.37Å; G39-S42 PolarHBondContact O-N 2.81Å; G39-S42 PolarHBondContact O-OG 2.82Å; G39-L43 WeakPolarHBondContact O-CB 3.16Å; G39-L43 VanDerWaalsContact O-CG 3.25Å; G39-L43 WeakPolarHBondContact O-CG 3.4Å; G39-L43 PolarHBondContact O-N 3.37Å
40	V	58.4	Low	62	Low	97 Å²	97	92.1 Å²	92.1	59%	0.588	54%	0.544	S	S	*	.	H	α-helix	trans	-70.7	-41.4	177.8	172.2	0	0	0	0	111.1	T36 A37 S42 L43 A44	T36-V40 WeakPolarHBondContact O-CB 3.44Å; T36-V40 WeakPolarHBondContact O-CG2 3.39Å; T36-V40 PolarHBondContact O-N 3.37Å; A37-V40 PolarHBondContact O-N 2.85Å; V40-S42 PolarHBondContact O-N 3.27Å; V40-L43 PolarHBondContact O-N 2.79Å; V40-A44 WeakPolarHBondContact O-CB 3.29Å; V40-A44 PolarHBondContact O-N 2.8Å
41	L	57.1	Low	64.1	Low	127 Å²	127	91.2 Å²	91.2	67%	0.665	53%	0.531	S	S	*	.	H	α-helix	trans	-65.2	-36.7	175.5	-73.4	169.2	0	0	0	112.4	A37 G45	A37-L41 VanDerWaalsContact O-CB 3.3Å; A37-L41 WeakPolarHBondContact O-CB 3.07Å; A37-L41 WeakPolarHBondContact O-CD1 3.31Å; A37-L41 WeakPolarHBondContact O-CG 3.48Å; A37-L41 PolarHBondContact O-N 3.03Å; L41-G45 PolarHBondContact O-N 2.95Å
42	S	69.8	Low	66	Low	58 Å²	58	88.1 Å²	88.1	41%	0.406	51%	0.508	S	S	.	.	H	α-helix	trans	-72.4	-39.5	175.9	55.9	0	0	0	0	112.4	V38 G39 V40 G45 M46	V38-S42 VanDerWaalsContact O-CB 3.29Å; V38-S42 WeakPolarHBondContact O-CB 3.25Å; V38-S42 PolarHBondContact O-N 3.42Å; V38-S42 PolarHBondContact O-OG 3.09Å; G39-S42 WeakPolarHBondContact CA-OG 3.37Å; G39-S42 PolarHBondContact O-N 2.81Å; G39-S42 PolarHBondContact O-OG 2.82Å; V40-S42 PolarHBondContact O-N 3.27Å; S42-G45 PolarHBondContact O-N 3.5Å; S42-M46 WeakPolarHBondContact O-CB 3.44Å; S42-M46 WeakPolarHBondContact O-CG 3.18Å; S42-M46 PolarHBondContact O-N 2.93Å
43	L	68.7	Low	67.4	Low	114 Å²	114	84 Å²	84	60%	0.597	48%	0.481	S	S	*	.	H	α-helix	trans	-66.1	-43.4	172.9	-73.9	169.2	0	0	0	112.1	G39 V40 M46 A47	G39-L43 WeakPolarHBondContact O-CB 3.16Å; G39-L43 VanDerWaalsContact O-CG 3.25Å; G39-L43 WeakPolarHBondContact O-CG 3.4Å; G39-L43 PolarHBondContact O-N 3.37Å; V40-L43 PolarHBondContact O-N 2.79Å; L43-M46 HydrophobicContact CD2-CE 4.2Å; L43-M46 PolarHBondContact O-N 2.88Å; L43-A47 WeakPolarHBondContact O-CB 3.21Å; L43-A47 PolarHBondContact O-N 2.91Å
44	A	72.4	Confident	69	Low	48 Å²	48	82.4 Å²	82.4	40%	0.397	47%	0.472	S	S	.	.	H	α-helix	trans	-63.8	-42.1	175	0	0	0	0	0	111.4	V40 A47 L48	V40-A44 WeakPolarHBondContact O-CB 3.29Å; V40-A44 PolarHBondContact O-N 2.8Å; A44-A47 PolarHBondContact O-N 3.46Å; A44-L48 WeakPolarHBondContact O-CB 3.46Å; A44-L48 VanDerWaalsContact O-CG 3.3Å; A44-L48 WeakPolarHBondContact O-CG 3.31Å; A44-L48 PolarHBondContact O-N 3.5Å
45	G	75.4	Confident	70.6	Confident	30 Å²	30	80.7 Å²	80.7	31%	0.309	47%	0.471	S	S	.	.	H	α-helix	trans	-60.9	-45.5	173.8	0	0	0	0	0	112.3	L41 S42 L48 L49	L41-G45 PolarHBondContact O-N 2.95Å; S42-G45 PolarHBondContact O-N 3.5Å; G45-L48 PolarHBondContact O-N 3.43Å; G45-L49 WeakPolarHBondContact O-CB 3.49Å; G45-L49 WeakPolarHBondContact O-CD1 3.29Å; G45-L49 VanDerWaalsContact O-CG 3.23Å; G45-L49 WeakPolarHBondContact O-CG 3.17Å; G45-L49 PolarHBondContact O-N 3.03Å
46	M	76.6	Confident	72	Confident	114 Å²	114	76.9 Å²	76.9	56%	0.562	44%	0.444	S	S	*	.	H	α-helix	trans	-64.5	-39.2	175	-76.8	-160.9	-79.2	0	0	112.5	S42 L43 L49 W50	S42-M46 WeakPolarHBondContact O-CB 3.44Å; S42-M46 WeakPolarHBondContact O-CG 3.18Å; S42-M46 PolarHBondContact O-N 2.93Å; L43-M46 HydrophobicContact CD2-CE 4.2Å; L43-M46 PolarHBondContact O-N 2.88Å; M46-L49 PolarHBondContact O-N 3.09Å; M46-W50 VanDerWaalsContact O-CB 3.26Å; M46-W50 WeakPolarHBondContact O-CB 3.43Å; M46-W50 PolarHBondContact O-N 2.96Å
47	A	77.6	Confident	73.3	Confident	60 Å²	60	75.5 Å²	75.5	50%	0.496	44%	0.435	S	S	.	.	H	α-helix	trans	-65.5	-41.6	176.4	0	0	0	0	0	111.9	L43 A44 W50 R51	L43-A47 WeakPolarHBondContact O-CB 3.21Å; L43-A47 PolarHBondContact O-N 2.91Å; A44-A47 PolarHBondContact O-N 3.46Å; A47-W50 PolarHBondContact O-N 3.28Å; A47-R51 VanDerWaalsContact O-CB 3.26Å; A47-R51 WeakPolarHBondContact O-CB 3.46Å; A47-R51 PolarHBondContact O-N 2.82Å
48	L	81.9	Confident	75	Confident	95 Å²	95	75.9 Å²	75.9	50%	0.497	43%	0.427	S	S	.	.	H	α-helix	trans	-66.7	-41.4	175.5	-71.9	172.5	0	0	0	112.2	A44 G45 R51 D52	A44-L48 WeakPolarHBondContact O-CB 3.46Å; A44-L48 VanDerWaalsContact O-CG 3.3Å; A44-L48 WeakPolarHBondContact O-CG 3.31Å; A44-L48 PolarHBondContact O-N 3.5Å; G45-L48 PolarHBondContact O-N 3.43Å; L48-R51 PolarHBondContact O-N 2.69Å; L48-D52 PolarHBondContact O-N 2.9Å
49	L	82.6	Confident	75.8	Confident	77 Å²	77	72 Å²	72	40%	0.403	40%	0.404	S	S	.	.	H	α-helix	trans	-61.8	-47.1	173.7	-76.8	166.7	0	0	0	111.2	G45 M46 R51 D52 I53 Y71	G45-L49 WeakPolarHBondContact O-CB 3.49Å; G45-L49 WeakPolarHBondContact O-CD1 3.29Å; G45-L49 VanDerWaalsContact O-CG 3.23Å; G45-L49 WeakPolarHBondContact O-CG 3.17Å; G45-L49 PolarHBondContact O-N 3.03Å; M46-L49 PolarHBondContact O-N 3.09Å; L49-R51 VanDerWaalsContact C-N 3.31Å; L49-R51 PolarHBondContact O-N 3.12Å; L49-D52 PolarHBondContact O-N 3.39Å; L49-I53 WeakPolarHBondContact O-CB 3.23Å; L49-I53 VanDerWaalsContact O-CG1 3.31Å; L49-I53 WeakPolarHBondContact O-CG1 3.37Å; L49-I53 PolarHBondContact O-N 3.02Å; L49-Y71 HydrophobicContact CD2-CE1 3.5Å; L49-Y71 VanDerWaalsContact CD2-CE1 3.5Å
50	W	80.7	Confident	76.3	Confident	146 Å²	146	75 Å²	75	55%	0.553	41%	0.414	S	S	*	.	H	α-helix	trans	-62.4	-41.4	177.3	-172.9	-105.8	0	0	0	111.2	M46 A47 I53 S54 L64	M46-W50 VanDerWaalsContact O-CB 3.26Å; M46-W50 WeakPolarHBondContact O-CB 3.43Å; M46-W50 PolarHBondContact O-N 2.96Å; A47-W50 PolarHBondContact O-N 3.28Å; W50-I53 PolarHBondContact O-N 3.37Å; W50-S54 WeakPolarHBondContact O-CB 3.48Å; W50-S54 PolarHBondContact O-N 3.42Å; W50-S54 PolarHBondContact O-OG 2.86Å; W50-L64 HydrophobicContact CH2-CD1 3.59Å; W50-L64 HydrophobicContact CH2-CG 4.46Å; W50-L64 HydrophobicContact CZ3-CD1 3.57Å; W50-L64 HydrophobicContact CZ3-CG 4.1Å
51	R	84.7	Confident	76.8	Confident	167 Å²	167	78.4 Å²	78.4	63%	0.63	42%	0.421	S	S	*	.	H	α-helix	trans	-60	-50	175	-168.6	176.8	69.7	169.1	2.8	111.6	A47 L48 L49 S54 S55	A47-R51 VanDerWaalsContact O-CB 3.26Å; A47-R51 WeakPolarHBondContact O-CB 3.46Å; A47-R51 PolarHBondContact O-N 2.82Å; L48-R51 PolarHBondContact O-N 2.69Å; L49-R51 VanDerWaalsContact C-N 3.31Å; L49-R51 PolarHBondContact O-N 3.12Å; R51-S54 WeakPolarHBondContact CA-OG 3.48Å; R51-S54 PolarHBondContact O-N 3.23Å; R51-S54 PolarHBondContact O-OG 3.04Å; R51-S55 PolarHBondContact O-N 3.38Å; R51-S55 PolarHBondContact O-OG 2.54Å
52	D	83.8	Confident	77.8	Confident	42 Å²	42	73.6 Å²	73.6	23%	0.225	39%	0.394	C	S	.	.	H	α-helix	trans	-63.8	-42.7	178.8	-171.2	30.3	0	0	0	111.9	L48 L49 S54 S55 K56 Y71 K75	L48-D52 PolarHBondContact O-N 2.9Å; L49-D52 PolarHBondContact O-N 3.39Å; D52-S54 VanDerWaalsContact C-N 3.33Å; D52-S54 PolarHBondContact O-N 3.19Å; D52-S55 WeakPolarHBondContact CA-OG 3.19Å; D52-S55 PolarHBondContact O-N 3.06Å; D52-S55 PolarHBondContact O-OG 3.01Å; D52-K56 WeakPolarHBondContact O-CG 3.38Å; D52-K56 PolarHBondContact O-N 3.2Å; D52-K56 WeakPolarHBondContact OD1-CE 3.23Å; D52-K56 IonicContact OD1-NZ 3.63Å; D52-Y71 HydrophobicContact CB-CE2 4.36Å; D52-Y71 VanDerWaalsContact OD2-CE2 3.26Å; D52-Y71 WeakPolarHBondContact OD2-CE2 3.46Å; D52-Y71 PolarHBondContact OD2-OH 3.02Å; D52-K75 WeakPolarHBondContact OD2-CE 3.42Å; D52-K75 IonicContact OD2-NZ 3.34Å; D52-K75 PolarHBondContact OD2-NZ 3.39Å
53	I	82.4	Confident	78.3	Confident	9 Å²	9	75.4 Å²	75.4	5%	0.046	40%	0.403	C	S	.	.	H	α-helix	trans	-61.1	-45.6	173.5	-69.1	169.5	0	0	0	109.7	L49 W50 S55 K56 K58 L68 Y71 L210	L49-I53 WeakPolarHBondContact O-CB 3.23Å; L49-I53 VanDerWaalsContact O-CG1 3.31Å; L49-I53 WeakPolarHBondContact O-CG1 3.37Å; L49-I53 PolarHBondContact O-N 3.02Å; W50-I53 PolarHBondContact O-N 3.37Å; I53-S55 VanDerWaalsContact C-N 3.31Å; I53-S55 PolarHBondContact O-N 2.81Å; I53-K56 PolarHBondContact O-N 3.03Å; I53-K58 WeakPolarHBondContact O-CE 3.5Å; I53-K58 PolarHBondContact O-NZ 3.43Å; I53-L68 HydrophobicContact CD1-CD1 4.19Å; I53-Y71 HydrophobicContact CD1-CD1 4.17Å; I53-Y71 HydrophobicContact CD1-CD2 4.26Å; I53-Y71 HydrophobicContact CD1-CG 3.98Å; I53-Y71 HydrophobicContact CG1-CD1 4.26Å; I53-Y71 HydrophobicContact CG1-CD2 3.5Å; I53-Y71 VanDerWaalsContact CG1-CD2 3.5Å; I53-Y71 HydrophobicContact CG1-CE2 3.8Å; I53-Y71 HydrophobicContact CG1-CG 3.74Å; I53-L210 HydrophobicContact CG2-CD1 3.94Å
54	S	81	Confident	78.9	Confident	60 Å²	60	75.1 Å²	75.1	42%	0.42	40%	0.401	S	S	.	.	H	α-helix	trans	-61.4	-34.8	-178.7	75	0	0	0	0	113.6	W50 R51 D52 K56	W50-S54 WeakPolarHBondContact O-CB 3.48Å; W50-S54 PolarHBondContact O-N 3.42Å; W50-S54 PolarHBondContact O-OG 2.86Å; R51-S54 WeakPolarHBondContact CA-OG 3.48Å; R51-S54 PolarHBondContact O-N 3.23Å; R51-S54 PolarHBondContact O-OG 3.04Å; D52-S54 VanDerWaalsContact C-N 3.33Å; D52-S54 PolarHBondContact O-N 3.19Å; S54-K56 VanDerWaalsContact C-N 3.33Å; S54-K56 PolarHBondContact O-N 3.5Å
55	S	82.4	Confident	79.3	Confident	88 Å²	88	75.1 Å²	75.1	62%	0.615	41%	0.406	S	S	*	.	H	α-helix	trans	-78.2	-12	179.8	53.2	0	0	0	0	114.8	R51 D52 I53	R51-S55 PolarHBondContact O-N 3.38Å; R51-S55 PolarHBondContact O-OG 2.54Å; D52-S55 WeakPolarHBondContact CA-OG 3.19Å; D52-S55 PolarHBondContact O-N 3.06Å; D52-S55 PolarHBondContact O-OG 3.01Å; I53-S55 VanDerWaalsContact C-N 3.31Å; I53-S55 PolarHBondContact O-N 2.81Å
56	K	83.4	Confident	79.5	Confident	23 Å²	23	74.2 Å²	74.2	10%	0.1	40%	0.395	C	S	.	.	S	Bend	trans	-86.5	142.8	-178.8	-73.4	177	-178	-56.5	0	111.3	D52 I53 S54 K58 N208 L210	D52-K56 WeakPolarHBondContact O-CG 3.38Å; D52-K56 PolarHBondContact O-N 3.2Å; D52-K56 WeakPolarHBondContact OD1-CE 3.23Å; D52-K56 IonicContact OD1-NZ 3.63Å; I53-K56 PolarHBondContact O-N 3.03Å; S54-K56 VanDerWaalsContact C-N 3.33Å; S54-K56 PolarHBondContact O-N 3.5Å; K56-K58 WeakPolarHBondContact O-CG 3.5Å; K56-K58 PolarHBondContact O-N 3.42Å; K56-N208 PolarHBondContact NZ-ND2 3.39Å; K56-N208 PolarHBondContact NZ-O 2.85Å; K56-N208 PolarHBondContact NZ-OD1 2.99Å; K56-L210 HydrophobicContact CB-CD1 4.27Å; K56-L210 HydrophobicContact CB-CG 4.12Å; K56-L210 HydrophobicContact CD-CD1 4.27Å; K56-L210 HydrophobicContact CD-CD2 4.44Å; K56-L210 HydrophobicContact CD-CG 3.92Å
57	V	81.4	Confident	79.9	Confident	61 Å²	61	69.8 Å²	69.8	37%	0.37	37%	0.374	S	S	.	.			trans	-60.7	133	164.4	-174	0	0	0	0	108.3	L210 Q211 H357	V57-L210 CarbonylContact O-C 3.6Å; V57-L210 WeakPolarHBondContact O-CA 3.42Å; V57-L210 PolarHBondContact O-N 3.39Å; V57-Q211 HydrophobicContact CB-CG 4.1Å; V57-Q211 HydrophobicContact CG1-CG 3.67Å; V57-Q211 PolarHBondContact O-N 3.2Å; V57-H357 HydrophobicContact CG1-CB 4.49Å
58	K	83.1	Confident	80.2	Confident	62 Å²	62	70.9 Å²	70.9	27%	0.27	37%	0.371	S	S	.	.	B	Isolated β-bridge	trans	-128.9	159.8	-174.3	-65.7	157.5	-165.4	176.9	0	109.8	I53 K56 L67 L210	I53-K58 WeakPolarHBondContact O-CE 3.5Å; I53-K58 PolarHBondContact O-NZ 3.43Å; K56-K58 WeakPolarHBondContact O-CG 3.5Å; K56-K58 PolarHBondContact O-N 3.42Å; K58-L67 HydrophobicContact CB-CD2 4.13Å; K58-L67 HydrophobicContact CD-CD1 4.11Å; K58-L67 HydrophobicContact CD-CD2 4.29Å; K58-L67 HydrophobicContact CG-CD2 3.88Å; K58-L210 HydrophobicContact CG-CB 3.99Å; K58-L210 HydrophobicContact CG-CD1 4.22Å
59	G	72.1	Confident	80.2	Confident	7 Å²	7	68.3 Å²	68.3	7%	0.072	36%	0.361	C	S	.	.			trans	-64.5	141.9	163.7	0	0	0	0	0	113.8	R62 L210 S276	G59-R62 WeakPolarHBondContact O-CG 3.44Å; G59-L210 PolarHBondContact N-O 3.47Å; G59-S276 WeakPolarHBondContact CA-OG 3.24Å
60	D	66.2	Low	80.3	Confident	90 Å²	90	65.1 Å²	65.1	48%	0.481	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	150	169.9	-71.5	-22.6	0	0	0	110.2	R62 P275	D60-R62 PolarHBondContact O-N 2.84Å; D60-R62 VanDerWaalsContact O-N 3.12Å; D60-P275 WeakPolarHBondContact OD2-CG 3.49Å
61	K	70.4	Confident	80.5	Confident	169 Å²	169	59 Å²	59	74%	0.735	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	26.8	173.5	-55.6	168.8	-176	166.9	0	113.8	D332	K61-D332 IonicContact NZ-OD2 2.95Å; K61-D332 PolarHBondContact NZ-OD2 3.15Å
62	R	76.6	Confident	80.5	Confident	26 Å²	26	55 Å²	55	10%	0.098	32%	0.315	C	S	.	.			trans	-83.2	136	175.9	-70.8	-154.7	69.9	130.6	20.4	113.3	G59 D60 S66 L67 N246	G59-R62 WeakPolarHBondContact O-CG 3.44Å; D60-R62 PolarHBondContact O-N 2.84Å; D60-R62 VanDerWaalsContact O-N 3.12Å; R62-S66 PolarHBondContact NE-OG 3.13Å; R62-S66 VanDerWaalsContact NH2-CB 3.29Å; R62-S66 PolarHBondContact NH2-OG 3.4Å; R62-S66 VanDerWaalsContact NH2-OG 3.14Å; R62-L67 HydrophobicContact CB-CD1 4.14Å; R62-L67 HydrophobicContact CB-CD2 4.04Å; R62-L67 HydrophobicContact CB-CG 3.83Å; R62-L67 HydrophobicContact CG-CD2 4.42Å; R62-N246 VanDerWaalsContact CZ-O 3.29Å; R62-N246 PolarHBondContact NH1-O 2.87Å; R62-N246 PolarHBondContact NH2-O 2.85Å
63	T	81.6	Confident	80.4	Confident	95 Å²	95	55 Å²	55	58%	0.583	32%	0.32	S	S	*	.			trans	-72.2	147.9	170.5	68.6	0	0	0	0	110.6	G65 S66 L67	T63-G65 VanDerWaalsContact C-N 3.28Å; T63-G65 PolarHBondContact O-N 3.06Å; T63-S66 PolarHBondContact N-OG 3.48Å; T63-S66 PolarHBondContact O-N 2.7Å; T63-S66 PolarHBondContact O-OG 3.22Å; T63-S66 WeakPolarHBondContact OG1-CB 3.06Å; T63-S66 PolarHBondContact OG1-N 3.43Å; T63-S66 PolarHBondContact OG1-OG 3.28Å; T63-L67 PolarHBondContact O-N 3.01Å
64	L	80.1	Confident	80.5	Confident	108 Å²	108	55.5 Å²	55.5	57%	0.565	32%	0.324	S	S	*	.	H	α-helix	trans	-57.6	-40.5	179.3	-166.7	145.6	0	0	0	112.1	W50 S66 L67 L68	W50-L64 HydrophobicContact CH2-CD1 3.59Å; W50-L64 HydrophobicContact CH2-CG 4.46Å; W50-L64 HydrophobicContact CZ3-CD1 3.57Å; W50-L64 HydrophobicContact CZ3-CG 4.1Å; L64-S66 VanDerWaalsContact C-N 3.33Å; L64-S66 PolarHBondContact O-N 3.23Å; L64-L67 PolarHBondContact O-N 3.23Å; L64-L68 WeakPolarHBondContact O-CB 3.3Å; L64-L68 PolarHBondContact O-N 2.88Å
65	G	81.1	Confident	80.7	Confident	48 Å²	48	56.6 Å²	56.6	50%	0.495	32%	0.321	S	S	.	.	H	α-helix	trans	-62.2	-38	174.8	0	0	0	0	0	113.2	T63 S69	T63-G65 VanDerWaalsContact C-N 3.28Å; T63-G65 PolarHBondContact O-N 3.06Å; G65-S69 WeakPolarHBondContact O-CB 3.36Å; G65-S69 PolarHBondContact O-N 3.47Å
66	S	81.1	Confident	80.9	Confident	12 Å²	12	55 Å²	55	8%	0.084	31%	0.313	C	S	.	.	H	α-helix	trans	-70.7	-37.8	178	82.1	0	0	0	0	112.5	R62 T63 L64 Q70	R62-S66 PolarHBondContact NE-OG 3.13Å; R62-S66 VanDerWaalsContact NH2-CB 3.29Å; R62-S66 PolarHBondContact NH2-OG 3.4Å; R62-S66 VanDerWaalsContact NH2-OG 3.14Å; T63-S66 PolarHBondContact N-OG 3.48Å; T63-S66 PolarHBondContact O-N 2.7Å; T63-S66 PolarHBondContact O-OG 3.22Å; T63-S66 WeakPolarHBondContact OG1-CB 3.06Å; T63-S66 PolarHBondContact OG1-N 3.43Å; T63-S66 PolarHBondContact OG1-OG 3.28Å; L64-S66 VanDerWaalsContact C-N 3.33Å; L64-S66 PolarHBondContact O-N 3.23Å; S66-Q70 WeakPolarHBondContact O-CB 3.47Å; S66-Q70 PolarHBondContact O-N 3.04Å
67	L	83.8	Confident	81	Confident	21 Å²	21	55.8 Å²	55.8	11%	0.11	32%	0.319	C	S	.	.	H	α-helix	trans	-65.7	-44.7	174.6	-74.4	171.3	0	0	0	111.3	K58 R62 T63 L64 Q70 Y71 L210	K58-L67 HydrophobicContact CB-CD2 4.13Å; K58-L67 HydrophobicContact CD-CD1 4.11Å; K58-L67 HydrophobicContact CD-CD2 4.29Å; K58-L67 HydrophobicContact CG-CD2 3.88Å; R62-L67 HydrophobicContact CB-CD1 4.14Å; R62-L67 HydrophobicContact CB-CD2 4.04Å; R62-L67 HydrophobicContact CB-CG 3.83Å; R62-L67 HydrophobicContact CG-CD2 4.42Å; T63-L67 PolarHBondContact O-N 3.01Å; L64-L67 PolarHBondContact O-N 3.23Å; L67-Q70 PolarHBondContact O-N 2.72Å; L67-Y71 VanDerWaalsContact O-CB 3.24Å; L67-Y71 WeakPolarHBondContact O-CB 3.46Å; L67-Y71 PolarHBondContact O-N 2.9Å; L67-L210 HydrophobicContact CD2-CB 4.1Å; L67-L210 HydrophobicContact CD2-CD1 4.15Å
68	L	83.5	Confident	81.2	Confident	82 Å²	82	53 Å²	53	43%	0.429	30%	0.303	S	S	.	.	H	α-helix	trans	-63.3	-44.5	177.2	-175.9	63.4	0	0	0	111.2	I53 L64 Q70 Y71 V72	I53-L68 HydrophobicContact CD1-CD1 4.19Å; L64-L68 WeakPolarHBondContact O-CB 3.3Å; L64-L68 PolarHBondContact O-N 2.88Å; L68-Q70 PolarHBondContact O-N 2.97Å; L68-Y71 PolarHBondContact O-N 3.21Å; L68-V72 HydrophobicContact CD1-CG2 4.34Å; L68-V72 VanDerWaalsContact O-CG2 3.31Å; L68-V72 WeakPolarHBondContact O-CG2 3.39Å; L68-V72 PolarHBondContact O-N 2.93Å
69	S	81.9	Confident	81.7	Confident	41 Å²	41	57.1 Å²	57.1	29%	0.287	32%	0.317	S	S	.	.	H	α-helix	trans	-60	-44.9	176.2	-176.9	0	0	0	0	112	G65 A73	G65-S69 WeakPolarHBondContact O-CB 3.36Å; G65-S69 PolarHBondContact O-N 3.47Å; S69-A73 WeakPolarHBondContact O-CB 3.42Å; S69-A73 PolarHBondContact O-N 2.84Å; S69-A73 VanDerWaalsContact O-N 3.08Å
70	Q	84.3	Confident	82.7	Confident	10 Å²	10	58.7 Å²	58.7	5%	0.047	32%	0.323	C	S	.	.	H	α-helix	trans	-63.3	-46.6	175.9	173.9	171.5	12.4	0	0	110.9	S66 L67 L68 V72 A73 V74 L210 Q211 L247	S66-Q70 WeakPolarHBondContact O-CB 3.47Å; S66-Q70 PolarHBondContact O-N 3.04Å; L67-Q70 PolarHBondContact O-N 2.72Å; L68-Q70 PolarHBondContact O-N 2.97Å; Q70-V72 PolarHBondContact O-N 3.21Å; Q70-A73 PolarHBondContact O-N 2.86Å; Q70-V74 HydrophobicContact CG-CG2 4.13Å; Q70-V74 WeakPolarHBondContact O-CB 3.25Å; Q70-V74 VanDerWaalsContact O-CG2 3.24Å; Q70-V74 WeakPolarHBondContact O-CG2 3.5Å; Q70-V74 PolarHBondContact O-N 2.87Å; Q70-L210 HydrophobicContact CB-CD2 4.48Å; Q70-L210 HydrophobicContact CG-CD2 3.85Å; Q70-L210 PolarHBondContact OE1-O 3.33Å; Q70-Q211 PolarHBondContact NE2-O 3.38Å; Q70-L247 HydrophobicContact CB-CD2 4.02Å; Q70-L247 HydrophobicContact CG-CD2 3.5Å; Q70-L247 VanDerWaalsContact CG-CD2 3.5Å
71	Y	85.6	Confident	83.9	Confident	18 Å²	18	54.4 Å²	54.4	7%	0.071	30%	0.301	C	S	.	.	H	α-helix	trans	-58.7	-47.6	-179.7	178.1	-90.5	0	0	0	111.9	L49 D52 I53 L67 L68 A73 V74 K75 L210	L49-Y71 HydrophobicContact CD2-CE1 3.5Å; L49-Y71 VanDerWaalsContact CD2-CE1 3.5Å; D52-Y71 HydrophobicContact CB-CE2 4.36Å; D52-Y71 VanDerWaalsContact OD2-CE2 3.26Å; D52-Y71 WeakPolarHBondContact OD2-CE2 3.46Å; D52-Y71 PolarHBondContact OD2-OH 3.02Å; I53-Y71 HydrophobicContact CD1-CD1 4.17Å; I53-Y71 HydrophobicContact CD1-CD2 4.26Å; I53-Y71 HydrophobicContact CD1-CG 3.98Å; I53-Y71 HydrophobicContact CG1-CD1 4.26Å; I53-Y71 HydrophobicContact CG1-CD2 3.5Å; I53-Y71 VanDerWaalsContact CG1-CD2 3.5Å; I53-Y71 HydrophobicContact CG1-CE2 3.8Å; I53-Y71 HydrophobicContact CG1-CG 3.74Å; L67-Y71 VanDerWaalsContact O-CB 3.24Å; L67-Y71 WeakPolarHBondContact O-CB 3.46Å; L67-Y71 PolarHBondContact O-N 2.9Å; L68-Y71 PolarHBondContact O-N 3.21Å; Y71-A73 PolarHBondContact O-N 3.43Å; Y71-V74 PolarHBondContact O-N 2.88Å; Y71-K75 HydrophobicContact CD1-CG 4.26Å; Y71-K75 HydrophobicContact CE1-CG 3.89Å; Y71-K75 VanDerWaalsContact CE2-CE 3.42Å; Y71-K75 HydrophobicContact CE2-CG 4.3Å; Y71-K75 WeakPolarHBondContact O-CG 3.48Å; Y71-K75 PolarHBondContact O-N 2.86Å; Y71-K75 VanDerWaalsContact OH-CE 3.26Å; Y71-K75 WeakPolarHBondContact OH-CE 3.41Å; Y71-L210 HydrophobicContact CD2-CD2 4.35Å
72	V	84.6	Confident	85.1	Confident	84 Å²	84	52 Å²	52	51%	0.509	29%	0.287	S	S	.	.	H	α-helix	trans	-61.2	-45.3	177	172.1	0	0	0	0	110.7	L68 Q70 K75 A76	L68-V72 HydrophobicContact CD1-CG2 4.34Å; L68-V72 VanDerWaalsContact O-CG2 3.31Å; L68-V72 WeakPolarHBondContact O-CG2 3.39Å; L68-V72 PolarHBondContact O-N 2.93Å; Q70-V72 PolarHBondContact O-N 3.21Å; V72-K75 PolarHBondContact O-N 2.84Å; V72-A76 VanDerWaalsContact O-CB 3.26Å; V72-A76 WeakPolarHBondContact O-CB 3.1Å; V72-A76 PolarHBondContact O-N 3.33Å
73	A	82.7	Confident	86	Confident	40 Å²	40	58 Å²	58	33%	0.331	31%	0.31	S	S	.	.	H	α-helix	trans	-60.6	-47.2	177.1	0	0	0	0	0	111.9	S69 Q70 Y71 K75 A76 V77	S69-A73 WeakPolarHBondContact O-CB 3.42Å; S69-A73 PolarHBondContact O-N 2.84Å; S69-A73 VanDerWaalsContact O-N 3.08Å; Q70-A73 PolarHBondContact O-N 2.86Å; Y71-A73 PolarHBondContact O-N 3.43Å; A73-K75 VanDerWaalsContact C-N 3.34Å; A73-K75 PolarHBondContact O-N 2.99Å; A73-A76 PolarHBondContact O-N 2.75Å; A73-V77 WeakPolarHBondContact O-CB 3.45Å; A73-V77 VanDerWaalsContact O-CG2 3.28Å; A73-V77 WeakPolarHBondContact O-CG2 3.47Å; A73-V77 PolarHBondContact O-N 3.19Å
74	V	82.8	Confident	86.7	Confident	21 Å²	21	54.7 Å²	54.7	13%	0.127	29%	0.288	C	S	.	.	H	α-helix	trans	-58.8	-43.6	178.4	163	0	0	0	0	111.3	Q70 Y71 G78 R201	Q70-V74 HydrophobicContact CG-CG2 4.13Å; Q70-V74 WeakPolarHBondContact O-CB 3.25Å; Q70-V74 VanDerWaalsContact O-CG2 3.24Å; Q70-V74 WeakPolarHBondContact O-CG2 3.5Å; Q70-V74 PolarHBondContact O-N 2.87Å; Y71-V74 PolarHBondContact O-N 2.88Å; V74-G78 PolarHBondContact O-N 2.96Å; V74-R201 VanDerWaalsContact CG1-NH2 3.34Å; V74-R201 PolarHBondContact O-NH1 3.18Å; V74-R201 PolarHBondContact O-NH2 3.16Å
75	K	85.6	Confident	87.5	Confident	83 Å²	83	52.1 Å²	52.1	36%	0.361	27%	0.27	S	S	.	.	H	α-helix	trans	-71.4	-42.6	178.6	-67.8	-71.9	179	163.1	0	112.1	D52 Y71 V72 A73 G78 W79	D52-K75 WeakPolarHBondContact OD2-CE 3.42Å; D52-K75 IonicContact OD2-NZ 3.34Å; D52-K75 PolarHBondContact OD2-NZ 3.39Å; Y71-K75 HydrophobicContact CD1-CG 4.26Å; Y71-K75 HydrophobicContact CE1-CG 3.89Å; Y71-K75 VanDerWaalsContact CE2-CE 3.42Å; Y71-K75 HydrophobicContact CE2-CG 4.3Å; Y71-K75 WeakPolarHBondContact O-CG 3.48Å; Y71-K75 PolarHBondContact O-N 2.86Å; Y71-K75 VanDerWaalsContact OH-CE 3.26Å; Y71-K75 WeakPolarHBondContact OH-CE 3.41Å; V72-K75 PolarHBondContact O-N 2.84Å; A73-K75 VanDerWaalsContact C-N 3.34Å; A73-K75 PolarHBondContact O-N 2.99Å; K75-G78 PolarHBondContact O-N 2.99Å; K75-W79 PolarHBondContact O-N 2.72Å
76	A	86.7	Confident	88.2	Confident	55 Å²	55	57.6 Å²	57.6	46%	0.455	28%	0.28	S	S	.	.	H	α-helix	trans	-62.8	-49.4	178	0	0	0	0	0	111.8	V72 A73 G78 W79 L80	V72-A76 VanDerWaalsContact O-CB 3.26Å; V72-A76 WeakPolarHBondContact O-CB 3.1Å; V72-A76 PolarHBondContact O-N 3.33Å; A73-A76 PolarHBondContact O-N 2.75Å; A76-G78 VanDerWaalsContact C-N 3.3Å; A76-G78 PolarHBondContact O-N 2.94Å; A76-W79 PolarHBondContact O-N 2.97Å; A76-L80 PolarHBondContact O-N 2.75Å
77	V	85.4	Confident	89	Confident	38 Å²	38	61.5 Å²	61.5	23%	0.23	30%	0.296	C	S	.	.	H	α-helix	trans	-65.8	-35.2	176.8	-177	0	0	0	0	110.9	A73 L80 G81 T194 L197	A73-V77 WeakPolarHBondContact O-CB 3.45Å; A73-V77 VanDerWaalsContact O-CG2 3.28Å; A73-V77 WeakPolarHBondContact O-CG2 3.47Å; A73-V77 PolarHBondContact O-N 3.19Å; V77-L80 PolarHBondContact O-N 2.83Å; V77-G81 PolarHBondContact O-N 3.34Å; V77-T194 HydrophobicContact CG1-CG2 4.03Å; V77-L197 HydrophobicContact CB-CD2 4.11Å; V77-L197 HydrophobicContact CG1-CD2 3.41Å; V77-L197 VanDerWaalsContact CG1-CD2 3.41Å
78	G	87.1	Confident	89.7	Confident	2 Å²	2	61 Å²	61	2%	0.021	29%	0.293	C	S	.	.	H	α-helix	trans	-64.8	-41.5	174.4	0	0	0	0	0	113.6	V74 K75 A76 G81 R82 R201	V74-G78 PolarHBondContact O-N 2.96Å; K75-G78 PolarHBondContact O-N 2.99Å; A76-G78 VanDerWaalsContact C-N 3.3Å; A76-G78 PolarHBondContact O-N 2.94Å; G78-G81 PolarHBondContact O-N 2.88Å; G78-R82 PolarHBondContact O-N 3.35Å; G78-R82 PolarHBondContact O-NH1 3.36Å; G78-R201 VanDerWaalsContact CA-NH1 3.26Å
79	W	91.6	Very high	90.3	Very high	150 Å²	150	59.8 Å²	59.8	57%	0.568	29%	0.285	S	S	*	.	H	α-helix	trans	-62.7	-44	173.5	174	88.9	0	0	0	111.5	K75 A76 G81 R82 R83	K75-W79 PolarHBondContact O-N 2.72Å; A76-W79 PolarHBondContact O-N 2.97Å; W79-G81 VanDerWaalsContact C-N 3.34Å; W79-R82 PolarHBondContact O-N 3.41Å; W79-R83 PolarHBondContact O-N 3.23Å; W79-R83 VanDerWaalsContact O-N 3.09Å
80	L	93.1	Very high	91.1	Very high	39 Å²	39	60.5 Å²	60.5	20%	0.204	29%	0.294	C	S	.	.	H	α-helix	trans	-62.4	-43	176.2	-174.7	56.5	0	0	0	111.2	A76 V77 R82 R83 Q84 F189 L190 T194	A76-L80 PolarHBondContact O-N 2.75Å; V77-L80 PolarHBondContact O-N 2.83Å; L80-R82 PolarHBondContact O-N 3.49Å; L80-R83 WeakPolarHBondContact O-CB 3.34Å; L80-R83 PolarHBondContact O-N 3.5Å; L80-R83 VanDerWaalsContact O-N 3.12Å; L80-Q84 HydrophobicContact CD1-CG 4.22Å; L80-Q84 HydrophobicContact CG-CG 4.38Å; L80-Q84 WeakPolarHBondContact O-CG 3.41Å; L80-Q84 PolarHBondContact O-N 2.91Å; L80-F189 HydrophobicContact CD2-CE1 4.16Å; L80-L190 HydrophobicContact CD1-CD2 4.26Å; L80-L190 HydrophobicContact CD2-CD2 3.73Å; L80-L190 HydrophobicContact CG-CD2 4.23Å; L80-T194 HydrophobicContact CD2-CG2 3.97Å; L80-T194 HydrophobicContact CG-CG2 4.1Å
81	G	93.2	Very high	91.7	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.01	30%	0.295	C	S	.	.	H	α-helix	trans	-57.9	-46.8	176	0	0	0	0	0	112.7	V77 G78 W79 R83 Q84 R85 T194	V77-G81 PolarHBondContact O-N 3.34Å; G78-G81 PolarHBondContact O-N 2.88Å; W79-G81 VanDerWaalsContact C-N 3.34Å; G81-R83 VanDerWaalsContact C-N 3.33Å; G81-R83 PolarHBondContact O-N 2.93Å; G81-Q84 PolarHBondContact O-N 3.43Å; G81-R85 VanDerWaalsContact O-CB 3.3Å; G81-R85 WeakPolarHBondContact O-CB 3.3Å; G81-R85 PolarHBondContact O-N 3.41Å; G81-T194 WeakPolarHBondContact CA-O 3.26Å
82	R	94.4	Very high	92.3	Very high	118 Å²	118	59.8 Å²	59.8	45%	0.445	29%	0.292	S	S	.	.	H	α-helix	trans	-60.2	-40.5	173.4	-73.8	-171.4	-64.5	-80.5	3.6	112.9	G78 W79 L80 K86 E198	G78-R82 PolarHBondContact O-N 3.35Å; G78-R82 PolarHBondContact O-NH1 3.36Å; W79-R82 PolarHBondContact O-N 3.41Å; L80-R82 PolarHBondContact O-N 3.49Å; R82-K86 WeakPolarHBondContact O-CG 3.3Å; R82-K86 PolarHBondContact O-N 2.82Å; R82-E198 VanDerWaalsContact CG-CD 3.42Å; R82-E198 HydrophobicContact CG-CG 4.1Å; R82-E198 WeakPolarHBondContact CG-OE1 3.48Å; R82-E198 IonicContact NH1-OE2 2.85Å
83	R	96.3	Very high	93	Very high	153 Å²	153	59.7 Å²	59.7	58%	0.577	29%	0.288	S	S	*	.	H	α-helix	trans	-65.1	-45.9	176.6	-177.5	-178.8	172.3	121.4	0.7	111.3	W79 L80 G81 K86 K87	W79-R83 PolarHBondContact O-N 3.23Å; W79-R83 VanDerWaalsContact O-N 3.09Å; L80-R83 WeakPolarHBondContact O-CB 3.34Å; L80-R83 PolarHBondContact O-N 3.5Å; L80-R83 VanDerWaalsContact O-N 3.12Å; G81-R83 VanDerWaalsContact C-N 3.33Å; G81-R83 PolarHBondContact O-N 2.93Å; R83-K86 PolarHBondContact O-N 3.32Å; R83-K87 PolarHBondContact O-N 3.25Å
84	Q	96.8	Very high	93.6	Very high	24 Å²	24	63.1 Å²	63.1	11%	0.112	30%	0.299	C	S	.	.	H	α-helix	trans	-68.8	-36.3	178.7	-63.6	-56.6	-29.6	0	0	111.7	L80 G81 K86 K87 L88 L190 T194 V195	L80-Q84 HydrophobicContact CD1-CG 4.22Å; L80-Q84 HydrophobicContact CG-CG 4.38Å; L80-Q84 WeakPolarHBondContact O-CG 3.41Å; L80-Q84 PolarHBondContact O-N 2.91Å; G81-Q84 PolarHBondContact O-N 3.43Å; Q84-K86 PolarHBondContact O-N 3.04Å; Q84-K87 WeakPolarHBondContact O-CB 3.37Å; Q84-K87 PolarHBondContact O-N 3.15Å; Q84-L88 WeakPolarHBondContact O-CB 3.36Å; Q84-L88 PolarHBondContact O-N 2.94Å; Q84-L190 HydrophobicContact CG-CB 4.43Å; Q84-L190 WeakPolarHBondContact CG-O 3.33Å; Q84-T194 WeakPolarHBondContact CG-OG1 3.2Å; Q84-V195 HydrophobicContact CB-CG2 3.73Å
85	R	96	Very high	94.3	Very high	54 Å²	54	62.1 Å²	62.1	20%	0.204	29%	0.292	C	S	.	.	H	α-helix	trans	-62.7	-42.5	174.1	-176.2	67	-170.8	91.3	1.2	111.8	G81 K87 L88 E89	G81-R85 VanDerWaalsContact O-CB 3.3Å; G81-R85 WeakPolarHBondContact O-CB 3.3Å; G81-R85 PolarHBondContact O-N 3.41Å; R85-K87 VanDerWaalsContact C-N 3.35Å; R85-L88 PolarHBondContact O-N 2.94Å; R85-E89 IonicContact CZ-OE2 2.77Å; R85-E89 VanDerWaalsContact CZ-OE2 3.25Å; R85-E89 IonicContact NH1-OE2 3.26Å; R85-E89 PolarHBondContact NH1-OE2 3.39Å; R85-E89 IonicContact NH2-OE2 3.56Å; R85-E89 PolarHBondContact NH2-OE2 3.32Å; R85-E89 WeakPolarHBondContact O-CB 3.23Å; R85-E89 PolarHBondContact O-N 2.9Å
86	K	96.7	Very high	94.9	Very high	163 Å²	163	64.1 Å²	64.1	71%	0.709	30%	0.301	S	S	*	.	H	α-helix	trans	-63.4	-39.4	173	-75.3	-177.4	179.5	-169.4	0	112.3	R82 R83 Q84 E89 A90	R82-K86 WeakPolarHBondContact O-CG 3.3Å; R82-K86 PolarHBondContact O-N 2.82Å; R83-K86 PolarHBondContact O-N 3.32Å; Q84-K86 PolarHBondContact O-N 3.04Å; K86-E89 WeakPolarHBondContact O-CB 3.46Å; K86-E89 PolarHBondContact O-N 3.32Å; K86-A90 PolarHBondContact O-N 2.92Å
87	K	97	Very high	95.4	Very high	95 Å²	95	66.7 Å²	66.7	41%	0.413	30%	0.304	S	S	.	.	H	α-helix	trans	-64.3	-47.6	175.4	-174.4	-176.8	174.6	-173.4	0	111.2	R83 Q84 R85 E89 A90 D91	R83-K87 PolarHBondContact O-N 3.25Å; Q84-K87 WeakPolarHBondContact O-CB 3.37Å; Q84-K87 PolarHBondContact O-N 3.15Å; R85-K87 VanDerWaalsContact C-N 3.35Å; K87-E89 VanDerWaalsContact C-N 3.26Å; K87-E89 PolarHBondContact O-N 3.2Å; K87-A90 PolarHBondContact O-N 3.44Å; K87-D91 WeakPolarHBondContact O-CB 3.48Å; K87-D91 VanDerWaalsContact O-CG 3.27Å; K87-D91 PolarHBondContact O-N 3.5Å
88	L	97.3	Very high	96	Very high	10 Å²	10	65 Å²	65	5%	0.052	29%	0.294	C	S	.	.	H	α-helix	trans	-58	-41.9	175	179.8	61.1	0	0	0	110.9	Q84 R85 A90 D91 T92 V195 V400 L402 L412	Q84-L88 WeakPolarHBondContact O-CB 3.36Å; Q84-L88 PolarHBondContact O-N 2.94Å; R85-L88 PolarHBondContact O-N 2.94Å; L88-A90 PolarHBondContact O-N 3.39Å; L88-D91 PolarHBondContact O-N 3.35Å; L88-T92 HydrophobicContact CD1-CG2 4.13Å; L88-T92 HydrophobicContact CG-CG2 4.29Å; L88-T92 WeakPolarHBondContact O-CG2 3.31Å; L88-T92 PolarHBondContact O-N 3.02Å; L88-T92 PolarHBondContact O-OG1 2.91Å; L88-V195 HydrophobicContact CD2-CG1 3.92Å; L88-V400 HydrophobicContact CD2-CG2 3.97Å; L88-L402 HydrophobicContact CD2-CD1 4.46Å; L88-L412 HydrophobicContact CD2-CD2 4.12Å; L88-L412 HydrophobicContact CG-CD2 4.31Å
89	E	97.6	Very high	96.5	Very high	56 Å²	56	65.1 Å²	65.1	26%	0.262	29%	0.294	S	S	.	.	H	α-helix	trans	-58.2	-49	175.4	-163.6	62.8	-152.6	0	0	111.9	R85 K86 K87 D91 T92 L93 H472 N473	R85-E89 IonicContact CZ-OE2 2.77Å; R85-E89 VanDerWaalsContact CZ-OE2 3.25Å; R85-E89 IonicContact NH1-OE2 3.26Å; R85-E89 PolarHBondContact NH1-OE2 3.39Å; R85-E89 IonicContact NH2-OE2 3.56Å; R85-E89 PolarHBondContact NH2-OE2 3.32Å; R85-E89 WeakPolarHBondContact O-CB 3.23Å; R85-E89 PolarHBondContact O-N 2.9Å; K86-E89 WeakPolarHBondContact O-CB 3.46Å; K86-E89 PolarHBondContact O-N 3.32Å; K87-E89 VanDerWaalsContact C-N 3.26Å; K87-E89 PolarHBondContact O-N 3.2Å; E89-D91 VanDerWaalsContact C-N 3.34Å; E89-D91 PolarHBondContact O-N 3.16Å; E89-T92 PolarHBondContact O-N 3.27Å; E89-T92 PolarHBondContact O-OG1 3.47Å; E89-L93 PolarHBondContact O-N 2.97Å; E89-H472 IonicContact OE1-CD2 2.89Å; E89-H472 IonicContact OE1-CE1 2.87Å; E89-H472 IonicContact OE1-NE2 3.53Å; E89-H472 PolarHBondContact OE1-NE2 3.47Å; E89-H472 IonicContact OE2-CD2 3.62Å; E89-H472 IonicContact OE2-CE1 3.7Å; E89-H472 IonicContact OE2-NE2 2.74Å; E89-H472 PolarHBondContact OE2-NE2 2.89Å; E89-N473 PolarHBondContact OE1-ND2 2.94Å
90	A	97.9	Very high	96.9	Very high	56 Å²	56	61 Å²	61	46%	0.463	28%	0.281	S	S	.	.	H	α-helix	trans	-62.2	-40.9	175.4	0	0	0	0	0	112.3	K86 K87 L88 T92 L93	K86-A90 PolarHBondContact O-N 2.92Å; K87-A90 PolarHBondContact O-N 3.44Å; L88-A90 PolarHBondContact O-N 3.39Å; A90-T92 VanDerWaalsContact C-N 3.29Å; A90-T92 PolarHBondContact O-N 2.78Å; A90-L93 PolarHBondContact O-N 2.99Å
91	D	97.7	Very high	97.1	Very high	13 Å²	13	63 Å²	63	7%	0.07	29%	0.289	C	S	.	.	H	α-helix	trans	-64.2	-35.6	178.7	-71.4	-28.1	0	0	0	111.6	K87 L88 E89 L93 M94 V95 V98 P415 R416	K87-D91 WeakPolarHBondContact O-CB 3.48Å; K87-D91 VanDerWaalsContact O-CG 3.27Å; K87-D91 PolarHBondContact O-N 3.5Å; L88-D91 PolarHBondContact O-N 3.35Å; E89-D91 VanDerWaalsContact C-N 3.34Å; E89-D91 PolarHBondContact O-N 3.16Å; D91-L93 PolarHBondContact O-N 3.39Å; D91-M94 CarbonylContact O-C 3.57Å; D91-M94 PolarHBondContact O-N 3.3Å; D91-V95 PolarHBondContact O-N 3.02Å; D91-V98 HydrophobicContact CB-CG1 4.19Å; D91-V98 HydrophobicContact CB-CG2 4.06Å; D91-P415 HydrophobicContact CB-CG 4.2Å; D91-R416 IonicContact OD1-CZ 3.38Å; D91-R416 VanDerWaalsContact OD1-CZ 3.25Å; D91-R416 IonicContact OD1-NE 2.84Å; D91-R416 PolarHBondContact OD1-NE 3.05Å; D91-R416 IonicContact OD1-NH2 3.97Å; D91-R416 PolarHBondContact OD1-NH2 3.41Å; D91-R416 WeakPolarHBondContact OD2-CD 3.25Å; D91-R416 IonicContact OD2-CZ 3.02Å; D91-R416 IonicContact OD2-NE 3.25Å; D91-R416 PolarHBondContact OD2-NE 2.85Å
92	T	98.1	Very high	97.3	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-70.5	-18.3	178.8	63.7	0	0	0	0	113.8	L88 E89 A90 L412 N473 Q474 C475	L88-T92 HydrophobicContact CD1-CG2 4.13Å; L88-T92 HydrophobicContact CG-CG2 4.29Å; L88-T92 WeakPolarHBondContact O-CG2 3.31Å; L88-T92 PolarHBondContact O-N 3.02Å; L88-T92 PolarHBondContact O-OG1 2.91Å; E89-T92 PolarHBondContact O-N 3.27Å; E89-T92 PolarHBondContact O-OG1 3.47Å; A90-T92 VanDerWaalsContact C-N 3.29Å; A90-T92 PolarHBondContact O-N 2.78Å; T92-L412 HydrophobicContact CG2-CD2 3.86Å; T92-N473 WeakPolarHBondContact O-CB 3.43Å; T92-N473 PolarHBondContact OG1-ND2 2.77Å; T92-Q474 WeakPolarHBondContact O-CB 3.32Å; T92-Q474 PolarHBondContact O-N 3.38Å; T92-C475 HydrophobicContact CG2-CB 3.65Å
93	L	98.1	Very high	97.5	Very high	83 Å²	83	57.8 Å²	57.8	44%	0.435	27%	0.27	S	S	.	.	H	α-helix	trans	-80.2	-20.5	173.8	-70.9	165.2	0	0	0	112.8	E89 A90 D91 N473 Q474	E89-L93 PolarHBondContact O-N 2.97Å; A90-L93 PolarHBondContact O-N 2.99Å; D91-L93 PolarHBondContact O-N 3.39Å; L93-N473 HydrophobicContact CD2-CB 3.91Å; L93-N473 HydrophobicContact CG-CB 4.33Å; L93-Q474 VanDerWaalsContact O-CD 3.26Å; L93-Q474 PolarHBondContact O-NE2 2.84Å
94	M	97.3	Very high	97.6	Very high	112 Å²	112	51.1 Å²	51.1	55%	0.552	25%	0.246	S	C	*	.	S	Bend	trans	-132	45.2	-175.5	-61.5	-61.5	-170.1	0	0	111	D91 K96 Q97 V98	D91-M94 CarbonylContact O-C 3.57Å; D91-M94 PolarHBondContact O-N 3.3Å; M94-K96 VanDerWaalsContact C-N 3.3Å; M94-K96 PolarHBondContact O-N 3.32Å; M94-Q97 HydrophobicContact CB-CB 4.47Å; M94-Q97 PolarHBondContact O-N 2.83Å; M94-V98 WeakPolarHBondContact O-CG2 3.44Å; M94-V98 PolarHBondContact O-N 3.32Å
95	V	96.9	Very high	97.7	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-56.8	-41.2	-167.3	73.8	0	0	0	0	112.9	D91 V98 Q99 P415 M438 Q474 C475	D91-V95 PolarHBondContact O-N 3.02Å; V95-V98 PolarHBondContact O-N 2.95Å; V95-Q99 HydrophobicContact CG2-CG 4.28Å; V95-Q99 WeakPolarHBondContact O-CB 3.42Å; V95-Q99 VanDerWaalsContact O-CG 3.3Å; V95-Q99 WeakPolarHBondContact O-CG 3.39Å; V95-Q99 PolarHBondContact O-N 3.25Å; V95-P415 HydrophobicContact CG2-CB 4.14Å; V95-M438 HydrophobicContact CG2-CB 4.14Å; V95-M438 HydrophobicContact CG2-CG 4.48Å; V95-M438 HydrophobicContact CG2-SD 3.47Å; V95-M438 WeakPolarHBondContact CG2-SD 3.44Å; V95-Q474 HydrophobicContact CB-CB 4.46Å; V95-Q474 HydrophobicContact CG1-CB 3.89Å; V95-Q474 WeakPolarHBondContact CG1-O 3.33Å; V95-C475 HydrophobicContact CG2-CB 4.28Å
96	K	97.2	Very high	97.7	Very high	125 Å²	125	54.8 Å²	54.8	54%	0.543	26%	0.262	S	S	.	.	H	α-helix	trans	-57.6	-53.1	178.5	176.4	174.3	-173.3	173.3	0	111.7	M94 V98 Q99 E100 E439	M94-K96 VanDerWaalsContact C-N 3.3Å; M94-K96 PolarHBondContact O-N 3.32Å; K96-V98 VanDerWaalsContact C-N 3.34Å; K96-V98 PolarHBondContact O-N 3.41Å; K96-Q99 PolarHBondContact O-N 3.43Å; K96-E100 PolarHBondContact O-N 2.85Å; K96-E439 VanDerWaalsContact CD-OE1 3.23Å; K96-E439 WeakPolarHBondContact CD-OE1 3.45Å; K96-E439 VanDerWaalsContact CG-OE1 3.25Å; K96-E439 WeakPolarHBondContact CG-OE1 3.47Å
97	Q	98.1	Very high	97.8	Very high	108 Å²	108	47.1 Å²	47.1	51%	0.505	23%	0.229	S	C	.	.	H	α-helix	trans	-61.6	-44.6	178.8	-177.3	-174.5	-15.2	0	0	110.9	M94 Q99 E100 E101	M94-Q97 HydrophobicContact CB-CB 4.47Å; M94-Q97 PolarHBondContact O-N 2.83Å; Q97-Q99 VanDerWaalsContact C-N 3.35Å; Q97-Q99 PolarHBondContact O-N 3.48Å; Q97-E100 PolarHBondContact O-N 2.86Å; Q97-E101 HydrophobicContact CG-CG 4.41Å; Q97-E101 PolarHBondContact NE2-OE1 2.93Å; Q97-E101 WeakPolarHBondContact O-CB 3.48Å; Q97-E101 VanDerWaalsContact O-CG 3.31Å; Q97-E101 WeakPolarHBondContact O-CG 3.47Å; Q97-E101 PolarHBondContact O-N 3.49Å
98	V	98.2	Very high	97.9	Very high	4 Å²	4	50.6 Å²	50.6	2%	0.024	24%	0.239	C	C	.	.	H	α-helix	trans	-64.8	-38.7	-178.8	174.5	0	0	0	0	112	D91 M94 V95 K96 T102 P415 R416	D91-V98 HydrophobicContact CB-CG1 4.19Å; D91-V98 HydrophobicContact CB-CG2 4.06Å; M94-V98 WeakPolarHBondContact O-CG2 3.44Å; M94-V98 PolarHBondContact O-N 3.32Å; V95-V98 PolarHBondContact O-N 2.95Å; K96-V98 VanDerWaalsContact C-N 3.34Å; K96-V98 PolarHBondContact O-N 3.41Å; V98-T102 VanDerWaalsContact O-CB 3.23Å; V98-T102 WeakPolarHBondContact O-CB 3.37Å; V98-T102 PolarHBondContact O-N 2.9Å; V98-T102 PolarHBondContact O-OG1 2.73Å; V98-P415 HydrophobicContact CG1-CB 3.93Å; V98-P415 HydrophobicContact CG1-CG 4.08Å; V98-R416 HydrophobicContact CG1-CG 3.4Å
99	Q	98.1	Very high	97.9	Very high	4 Å²	4	53.6 Å²	53.6	2%	0.019	25%	0.252	C	S	.	.	H	α-helix	trans	-64.3	-47	175.3	-78.2	-73.8	-96.5	0	0	111.5	V95 K96 Q97 T102 L103 P415 M418 F419 M438	V95-Q99 HydrophobicContact CG2-CG 4.28Å; V95-Q99 WeakPolarHBondContact O-CB 3.42Å; V95-Q99 VanDerWaalsContact O-CG 3.3Å; V95-Q99 WeakPolarHBondContact O-CG 3.39Å; V95-Q99 PolarHBondContact O-N 3.25Å; K96-Q99 PolarHBondContact O-N 3.43Å; Q97-Q99 VanDerWaalsContact C-N 3.35Å; Q97-Q99 PolarHBondContact O-N 3.48Å; Q99-T102 WeakPolarHBondContact O-CB 3.31Å; Q99-T102 PolarHBondContact O-N 3.06Å; Q99-L103 WeakPolarHBondContact O-CB 3.45Å; Q99-L103 PolarHBondContact O-N 2.99Å; Q99-P415 HydrophobicContact CG-CB 4.27Å; Q99-P415 PolarHBondContact NE2-O 3.47Å; Q99-M418 PolarHBondContact NE2-O 2.96Å; Q99-F419 HydrophobicContact CB-CD2 3.93Å; Q99-F419 HydrophobicContact CB-CE2 4.15Å; Q99-F419 WeakPolarHBondContact O-CD2 3.27Å; Q99-M438 VanDerWaalsContact CD-SD 3.52Å; Q99-M438 HydrophobicContact CG-CE 4.43Å; Q99-M438 HydrophobicContact CG-CG 4.2Å; Q99-M438 HydrophobicContact CG-SD 3.64Å; Q99-M438 VanDerWaalsContact OE1-CE 3.3Å; Q99-M438 PolarHBondContact OE1-SD 3.46Å
100	E	98.4	Very high	97.9	Very high	64 Å²	64	51.1 Å²	51.1	30%	0.299	24%	0.241	S	C	.	.	H	α-helix	trans	-63.9	-45.9	177.8	-175	163.8	84.2	0	0	112.2	K96 Q97 T102 L103 L104 D126 A127	K96-E100 PolarHBondContact O-N 2.85Å; Q97-E100 PolarHBondContact O-N 2.86Å; E100-T102 PolarHBondContact O-N 3.1Å; E100-L103 PolarHBondContact O-N 2.68Å; E100-L104 HydrophobicContact CG-CD1 3.83Å; E100-L104 HydrophobicContact CG-CG 4.2Å; E100-L104 WeakPolarHBondContact O-CB 3.34Å; E100-L104 VanDerWaalsContact O-CG 3.31Å; E100-L104 WeakPolarHBondContact O-CG 3.14Å; E100-L104 PolarHBondContact O-N 3.38Å; E100-D126 WeakPolarHBondContact OE2-CB 3.31Å; E100-A127 PolarHBondContact OE2-N 2.77Å
101	E	98.3	Very high	97.9	Very high	80 Å²	80	48.9 Å²	48.9	37%	0.374	22%	0.222	S	C	.	.	H	α-helix	trans	-53.9	-44.8	172.6	-78	176	-172.4	0	0	111.6	Q97 K105 R416	Q97-E101 HydrophobicContact CG-CG 4.41Å; Q97-E101 PolarHBondContact NE2-OE1 2.93Å; Q97-E101 WeakPolarHBondContact O-CB 3.48Å; Q97-E101 VanDerWaalsContact O-CG 3.31Å; Q97-E101 WeakPolarHBondContact O-CG 3.47Å; Q97-E101 PolarHBondContact O-N 3.49Å; E101-K105 WeakPolarHBondContact O-CB 3.45Å; E101-K105 PolarHBondContact O-N 2.9Å; E101-R416 IonicContact OE2-CZ 3.95Å; E101-R416 IonicContact OE2-NH1 3.82Å; E101-R416 PolarHBondContact OE2-NH1 3.18Å; E101-R416 IonicContact OE2-NH2 2.9Å; E101-R416 PolarHBondContact OE2-NH2 3.28Å
102	T	97.7	Very high	98	Very high	9 Å²	9	52.4 Å²	52.4	6%	0.055	24%	0.241	C	C	.	.	H	α-helix	trans	-66.8	-43.1	-178.3	-63.5	0	0	0	0	111.3	V98 Q99 E100 R106 P415	V98-T102 VanDerWaalsContact O-CB 3.23Å; V98-T102 WeakPolarHBondContact O-CB 3.37Å; V98-T102 PolarHBondContact O-N 2.9Å; V98-T102 PolarHBondContact O-OG1 2.73Å; Q99-T102 WeakPolarHBondContact O-CB 3.31Å; Q99-T102 PolarHBondContact O-N 3.06Å; E100-T102 PolarHBondContact O-N 3.1Å; T102-R106 VanDerWaalsContact O-CD 3.31Å; T102-R106 WeakPolarHBondContact O-CD 3.13Å; T102-R106 VanDerWaalsContact O-CG 3.27Å; T102-R106 WeakPolarHBondContact O-CG 3.41Å; T102-R106 PolarHBondContact O-N 2.79Å; T102-P415 PolarHBondContact OG1-O 2.69Å
103	L	98.6	Very high	98	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-61.1	-57.4	174.4	174	63.2	0	0	0	111.1	Q99 E100 K105 R106 L107 A127 F130 F419 T452	Q99-L103 WeakPolarHBondContact O-CB 3.45Å; Q99-L103 PolarHBondContact O-N 2.99Å; E100-L103 PolarHBondContact O-N 2.68Å; L103-K105 VanDerWaalsContact C-N 3.28Å; L103-K105 PolarHBondContact O-N 3.46Å; L103-R106 WeakPolarHBondContact O-CA 3.45Å; L103-R106 WeakPolarHBondContact O-CB 3.49Å; L103-R106 PolarHBondContact O-N 2.58Å; L103-L107 HydrophobicContact CD1-CD1 3.95Å; L103-L107 HydrophobicContact CD1-CD2 4.29Å; L103-L107 HydrophobicContact CD1-CG 3.98Å; L103-L107 HydrophobicContact CG-CD1 3.94Å; L103-L107 HydrophobicContact CG-CG 4.3Å; L103-L107 WeakPolarHBondContact O-CG 3.12Å; L103-L107 PolarHBondContact O-N 3.31Å; L103-A127 HydrophobicContact CD2-CB 4.09Å; L103-F130 HydrophobicContact CD1-CD1 3.66Å; L103-F130 HydrophobicContact CD1-CD2 4.41Å; L103-F130 HydrophobicContact CD1-CE1 3.68Å; L103-F130 HydrophobicContact CD1-CE2 4.45Å; L103-F130 HydrophobicContact CD1-CG 4.04Å; L103-F130 HydrophobicContact CD1-CZ 4.09Å; L103-F130 HydrophobicContact CD2-CB 3.89Å; L103-F130 HydrophobicContact CD2-CD1 3.73Å; L103-F130 HydrophobicContact CD2-CG 3.98Å; L103-F130 HydrophobicContact CG-CD1 4.32Å; L103-F130 HydrophobicContact CG-CG 4.5Å; L103-F419 HydrophobicContact CB-CB 4.33Å; L103-F419 HydrophobicContact CB-CD2 3.77Å; L103-F419 HydrophobicContact CB-CE2 4.2Å; L103-F419 HydrophobicContact CB-CG 3.96Å; L103-F419 HydrophobicContact CD1-CD1 4.08Å; L103-F419 HydrophobicContact CD1-CE1 4.41Å; L103-F419 HydrophobicContact CD1-CG 4.24Å; L103-F419 HydrophobicContact CD2-CD1 4.45Å; L103-F419 HydrophobicContact CD2-CD2 4.32Å; L103-F419 HydrophobicContact CD2-CE1 4.11Å; L103-F419 HydrophobicContact CD2-CE2 3.98Å; L103-F419 HydrophobicContact CD2-CZ 3.86Å; L103-F419 HydrophobicContact CG-CD2 4.49Å; L103-F419 HydrophobicContact CG-CG 4.47Å; L103-T452 HydrophobicContact CD1-CG2 3.93Å
104	L	98.6	Very high	98	Very high	14 Å²	14	53 Å²	53	7%	0.073	24%	0.24	C	C	.	.	H	α-helix	trans	-61.9	-36.7	-175.6	-65.2	176.7	0	0	0	111.8	E100 R106 L107 R108 E125	E100-L104 HydrophobicContact CG-CD1 3.83Å; E100-L104 HydrophobicContact CG-CG 4.2Å; E100-L104 WeakPolarHBondContact O-CB 3.34Å; E100-L104 VanDerWaalsContact O-CG 3.31Å; E100-L104 WeakPolarHBondContact O-CG 3.14Å; E100-L104 PolarHBondContact O-N 3.38Å; L104-R106 VanDerWaalsContact C-N 3.28Å; L104-R106 PolarHBondContact O-N 2.89Å; L104-L107 HydrophobicContact CD2-CD1 4.48Å; L104-L107 PolarHBondContact O-N 3.16Å; L104-R108 VanDerWaalsContact O-CB 3.29Å; L104-R108 WeakPolarHBondContact O-CB 3.49Å; L104-R108 WeakPolarHBondContact O-CD 3.48Å; L104-R108 WeakPolarHBondContact O-CG 3.39Å; L104-R108 PolarHBondContact O-N 2.75Å; L104-E125 WeakPolarHBondContact CD1-O 3.24Å; L104-E125 WeakPolarHBondContact CD2-O 3.3Å
105	K	98	Very high	98	Very high	139 Å²	139	47.7 Å²	47.7	60%	0.604	21%	0.214	S	C	*	.	H	α-helix	trans	-56.7	-42.5	172.4	-179.2	-175.4	175.2	-168.1	0	111.6	E101 L103 K109	E101-K105 WeakPolarHBondContact O-CB 3.45Å; E101-K105 PolarHBondContact O-N 2.9Å; L103-K105 VanDerWaalsContact C-N 3.28Å; L103-K105 PolarHBondContact O-N 3.46Å; K105-K109 VanDerWaalsContact O-CB 3.31Å; K105-K109 WeakPolarHBondContact O-CB 3.35Å; K105-K109 PolarHBondContact O-N 2.75Å
106	R	97.1	Very high	98.1	Very high	16 Å²	16	47.7 Å²	47.7	6%	0.06	21%	0.214	C	C	.	.	H	α-helix	trans	-73.1	-41.7	-178.9	-68.9	163.5	-177.3	-179.7	-1	112.2	T102 L103 L104 K109 N110 R416 S417 T452	T102-R106 VanDerWaalsContact O-CD 3.31Å; T102-R106 WeakPolarHBondContact O-CD 3.13Å; T102-R106 VanDerWaalsContact O-CG 3.27Å; T102-R106 WeakPolarHBondContact O-CG 3.41Å; T102-R106 PolarHBondContact O-N 2.79Å; L103-R106 WeakPolarHBondContact O-CA 3.45Å; L103-R106 WeakPolarHBondContact O-CB 3.49Å; L103-R106 PolarHBondContact O-N 2.58Å; L104-R106 VanDerWaalsContact C-N 3.28Å; L104-R106 PolarHBondContact O-N 2.89Å; R106-K109 PolarHBondContact O-N 3.02Å; R106-N110 PolarHBondContact O-N 3.49Å; R106-N110 PolarHBondContact O-ND2 2.76Å; R106-R416 PolarHBondContact NH2-O 3.13Å; R106-R416 VanDerWaalsContact NH2-O 3.1Å; R106-S417 PolarHBondContact NH1-O 3.12Å; R106-S417 PolarHBondContact NH2-O 3.06Å; R106-T452 PolarHBondContact NH1-O 2.99Å
107	L	98.5	Very high	98.2	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-62.5	-49.4	176.3	-62.7	-178.2	0	0	0	110.6	L103 L104 K109 N110 A111 F121 I124 F130 F458	L103-L107 HydrophobicContact CD1-CD1 3.95Å; L103-L107 HydrophobicContact CD1-CD2 4.29Å; L103-L107 HydrophobicContact CD1-CG 3.98Å; L103-L107 HydrophobicContact CG-CD1 3.94Å; L103-L107 HydrophobicContact CG-CG 4.3Å; L103-L107 WeakPolarHBondContact O-CG 3.12Å; L103-L107 PolarHBondContact O-N 3.31Å; L104-L107 HydrophobicContact CD2-CD1 4.48Å; L104-L107 PolarHBondContact O-N 3.16Å; L107-K109 PolarHBondContact O-N 3.32Å; L107-N110 CarbonylContact O-C 3.59Å; L107-N110 PolarHBondContact O-N 2.9Å; L107-N110 VanDerWaalsContact O-N 3.15Å; L107-A111 PolarHBondContact O-N 3.48Å; L107-F121 HydrophobicContact CB-CB 4.24Å; L107-F121 HydrophobicContact CB-CD2 4.48Å; L107-F121 HydrophobicContact CB-CG 4.36Å; L107-F121 HydrophobicContact CD2-CD1 3.9Å; L107-F121 HydrophobicContact CD2-CD2 3.89Å; L107-F121 HydrophobicContact CD2-CE1 3.9Å; L107-F121 HydrophobicContact CD2-CE2 3.93Å; L107-F121 HydrophobicContact CD2-CG 3.89Å; L107-F121 HydrophobicContact CD2-CZ 3.92Å; L107-I124 HydrophobicContact CD1-CB 4.1Å; L107-I124 HydrophobicContact CD1-CD1 4.25Å; L107-I124 HydrophobicContact CD1-CG2 3.66Å; L107-F130 HydrophobicContact CD1-CB 4.36Å; L107-F130 HydrophobicContact CD1-CD2 3.81Å; L107-F130 HydrophobicContact CD1-CE2 4.41Å; L107-F130 HydrophobicContact CD1-CG 4.2Å; L107-F130 HydrophobicContact CD2-CD2 3.94Å; L107-F130 HydrophobicContact CD2-CE2 3.71Å; L107-F130 HydrophobicContact CD2-CZ 4.47Å; L107-F458 HydrophobicContact CD2-CD1 3.99Å; L107-F458 HydrophobicContact CD2-CE1 3.91Å
108	R	98.3	Very high	98.2	Very high	168 Å²	168	49.8 Å²	49.8	63%	0.634	22%	0.217	S	C	*	.	H	α-helix	trans	-60.5	-44.4	177.5	-69.4	170.4	-172.4	158.4	3.9	112.3	L104 N110 A111	L104-R108 VanDerWaalsContact O-CB 3.29Å; L104-R108 WeakPolarHBondContact O-CB 3.49Å; L104-R108 WeakPolarHBondContact O-CD 3.48Å; L104-R108 WeakPolarHBondContact O-CG 3.39Å; L104-R108 PolarHBondContact O-N 2.75Å; R108-N110 PolarHBondContact O-N 2.79Å; R108-A111 PolarHBondContact O-N 2.65Å
109	K	97.6	Very high	98.2	Very high	74 Å²	74	51.5 Å²	51.5	32%	0.322	22%	0.224	S	C	.	.	H	α-helix	trans	-57.2	-35.9	177.2	-177	-179.1	-179.9	-168	0	111.9	K105 R106 L107 A159 E160 D183	K105-K109 VanDerWaalsContact O-CB 3.31Å; K105-K109 WeakPolarHBondContact O-CB 3.35Å; K105-K109 PolarHBondContact O-N 2.75Å; R106-K109 PolarHBondContact O-N 3.02Å; L107-K109 PolarHBondContact O-N 3.32Å; K109-A159 WeakPolarHBondContact O-CB 3.22Å; K109-E160 IonicContact NZ-OE1 2.76Å; K109-E160 PolarHBondContact NZ-OE1 3.4Å; K109-E160 IonicContact NZ-OE2 3.93Å; K109-D183 IonicContact NZ-OD2 2.72Å; K109-D183 PolarHBondContact NZ-OD2 3.03Å
110	N	98.1	Very high	98.2	Very high	4 Å²	4	54.9 Å²	54.9	2%	0.021	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	11.8	-174.9	-59.9	-54.9	0	0	0	113.5	R106 L107 R108 D112 T113 G116 I158 A159 F458	R106-N110 PolarHBondContact O-N 3.49Å; R106-N110 PolarHBondContact O-ND2 2.76Å; L107-N110 CarbonylContact O-C 3.59Å; L107-N110 PolarHBondContact O-N 2.9Å; L107-N110 VanDerWaalsContact O-N 3.15Å; R108-N110 PolarHBondContact O-N 2.79Å; N110-D112 PolarHBondContact O-N 2.85Å; N110-T113 HydrophobicContact CB-CG2 4.14Å; N110-T113 WeakPolarHBondContact O-CG2 3.37Å; N110-T113 PolarHBondContact O-N 3.49Å; N110-T113 VanDerWaalsContact O-N 3.16Å; N110-T113 PolarHBondContact O-OG1 3.31Å; N110-G116 WeakPolarHBondContact O-CA 3.35Å; N110-I158 VanDerWaalsContact OD1-CA 3.32Å; N110-I158 WeakPolarHBondContact OD1-CA 3.26Å; N110-A159 PolarHBondContact OD1-N 3.3Å; N110-F458 HydrophobicContact CB-CZ 4.35Å
111	A	98.1	Very high	98.2	Very high	9 Å²	9	51.9 Å²	51.9	7%	0.074	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-30.5	-173.5	0	0	0	0	0	113.4	L107 R108 G116 F121 R122	L107-A111 PolarHBondContact O-N 3.48Å; R108-A111 PolarHBondContact O-N 2.65Å; A111-G116 CarbonylContact O-C 3.5Å; A111-F121 HydrophobicContact CB-CB 4.28Å; A111-R122 HydrophobicContact CB-CB 4.46Å
112	D	98.2	Very high	98.2	Very high	86 Å²	86	56.7 Å²	56.7	46%	0.46	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	7.9	-178.7	-62.6	-35.1	0	0	0	113.8	N110 R117 R122	N110-D112 PolarHBondContact O-N 2.85Å; D112-R117 PolarHBondContact O-NH1 3.29Å; D112-R117 PolarHBondContact O-NH2 2.75Å; D112-R122 IonicContact OD1-CZ 3.66Å; D112-R122 IonicContact OD1-NH2 3.81Å; D112-R122 PolarHBondContact OD1-NH2 3.45Å; D112-R122 IonicContact OD2-NH2 3.35Å
113	T	98.6	Very high	98.2	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.006	26%	0.257	C	S	.	.	S	Bend	trans	-77.7	164.4	172.3	70.4	0	0	0	0	110.6	N110 Y115 G116 R117 K155 I157 I158 A159	N110-T113 HydrophobicContact CB-CG2 4.14Å; N110-T113 WeakPolarHBondContact O-CG2 3.37Å; N110-T113 PolarHBondContact O-N 3.49Å; N110-T113 VanDerWaalsContact O-N 3.16Å; N110-T113 PolarHBondContact O-OG1 3.31Å; T113-Y115 VanDerWaalsContact C-N 3.27Å; T113-Y115 PolarHBondContact O-N 3.35Å; T113-G116 PolarHBondContact O-N 2.92Å; T113-G116 PolarHBondContact OG1-N 3.04Å; T113-R117 PolarHBondContact O-N 2.99Å; T113-K155 CarbonylContact C-O 3.6Å; T113-K155 WeakPolarHBondContact CA-O 3.39Å; T113-K155 WeakPolarHBondContact CB-O 3.35Å; T113-K155 HydrophobicContact CG2-CB 4.44Å; T113-I157 PolarHBondContact OG1-O 3.17Å; T113-I157 VanDerWaalsContact OG1-O 3.11Å; T113-I158 VanDerWaalsContact CG2-C 3.42Å; T113-A159 HydrophobicContact CG2-CB 4.16Å
114	F	98.4	Very high	98.2	Very high	95 Å²	95	59.2 Å²	59.2	42%	0.417	26%	0.26	S	S	.	.	H	α-helix	trans	-54.4	-47.3	171.8	177.2	-87.5	0	0	0	110.8	R117 K118 F145 K155 V156	F114-R117 PolarHBondContact O-N 3.18Å; F114-K118 WeakPolarHBondContact O-CB 3.3Å; F114-K118 PolarHBondContact O-N 3.16Å; F114-F145 HydrophobicContact CD1-CD1 4.43Å; F114-F145 AromaticContact CD1-CE1 3.83Å; F114-F145 HydrophobicContact CD1-CE1 3.83Å; F114-F145 AromaticContact CE1-CE1 3.61Å; F114-F145 HydrophobicContact CE1-CE1 3.61Å; F114-F145 HydrophobicContact CE1-CZ 4.27Å; F114-K155 PolarHBondContact N-O 2.8Å; F114-V156 PolarHBondContact N-O 2.78Å
115	Y	98.2	Very high	98.1	Very high	1 Å²	1	66.2 Å²	66.2	0%	0.004	29%	0.292	C	S	.	.	H	α-helix	trans	-66.5	-41.4	179.3	-161.1	-85.6	0	0	0	112	T113 R117 K118 Y119 F121 H134 Y142 F145 V156 I157 F458	T113-Y115 VanDerWaalsContact C-N 3.27Å; T113-Y115 PolarHBondContact O-N 3.35Å; Y115-R117 PolarHBondContact O-N 3.36Å; Y115-K118 WeakPolarHBondContact O-CB 3.46Å; Y115-K118 PolarHBondContact O-N 2.86Å; Y115-Y119 AromaticContact CD1-CD2 3.82Å; Y115-Y119 HydrophobicContact CD1-CD2 3.82Å; Y115-Y119 HydrophobicContact CD1-CE2 4.07Å; Y115-Y119 HydrophobicContact CD2-CE2 4.28Å; Y115-Y119 AromaticContact CE1-CD2 3.55Å; Y115-Y119 HydrophobicContact CE1-CD2 3.55Å; Y115-Y119 AromaticContact CE1-CE2 3.54Å; Y115-Y119 HydrophobicContact CE1-CE2 3.54Å; Y115-Y119 AromaticContact CE2-CE2 3.79Å; Y115-Y119 HydrophobicContact CE2-CE2 3.79Å; Y115-Y119 HydrophobicContact CG-CD2 4.4Å; Y115-Y119 HydrophobicContact CG-CE2 4.41Å; Y115-Y119 AromaticContact CZ-CD2 3.93Å; Y115-Y119 AromaticContact CZ-CE2 3.38Å; Y115-Y119 WeakPolarHBondContact O-CD2 3.45Å; Y115-Y119 PolarHBondContact O-N 3.23Å; Y115-F121 HydrophobicContact CD1-CE2 4.3Å; Y115-F121 AromaticContact CD1-CZ 3.92Å; Y115-F121 HydrophobicContact CD1-CZ 3.92Å; Y115-F121 HydrophobicContact CE1-CZ 4.08Å; Y115-H134 AromaticContact CE1-NE2 3.55Å; Y115-H134 AromaticContact CZ-NE2 3.66Å; Y115-H134 PolarHBondContact OH-NE2 3.45Å; Y115-Y142 HydrophobicContact CE2-CE1 4.15Å; Y115-Y142 AromaticContact CZ-CE1 3.96Å; Y115-F145 HydrophobicContact CD2-CD2 4.01Å; Y115-F145 AromaticContact CD2-CE2 3.8Å; Y115-F145 HydrophobicContact CD2-CE2 3.8Å; Y115-F145 HydrophobicContact CD2-CZ 4.15Å; Y115-F145 HydrophobicContact CE2-CD2 4.08Å; Y115-F145 AromaticContact CE2-CE2 3.76Å; Y115-F145 HydrophobicContact CE2-CE2 3.76Å; Y115-F145 HydrophobicContact CE2-CZ 4.44Å; Y115-V156 VanDerWaalsContact CB-O 3.32Å; Y115-V156 WeakPolarHBondContact CB-O 3.32Å; Y115-V156 PolarHBondContact N-O 3.02Å; Y115-I157 HydrophobicContact CG-CG2 4.4Å; Y115-F458 AromaticContact CD1-CD2 3.89Å; Y115-F458 HydrophobicContact CD1-CD2 3.89Å; Y115-F458 HydrophobicContact CD1-CE2 4.04Å; Y115-F458 HydrophobicContact CE1-CB 4.42Å; Y115-F458 AromaticContact CE1-CD2 3.57Å; Y115-F458 HydrophobicContact CE1-CD2 3.57Å; Y115-F458 HydrophobicContact CE1-CE2 4.2Å; Y115-F458 HydrophobicContact CE1-CG 4.25Å
116	G	98.3	Very high	98.1	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-64.7	-37.6	178	0	0	0	0	0	113.3	N110 A111 T113 D120 F121	N110-G116 WeakPolarHBondContact O-CA 3.35Å; A111-G116 CarbonylContact O-C 3.5Å; T113-G116 PolarHBondContact O-N 2.92Å; T113-G116 PolarHBondContact OG1-N 3.04Å; G116-D120 WeakPolarHBondContact O-CA 3.32Å; G116-D120 PolarHBondContact O-N 3.04Å; G116-F121 VanDerWaalsContact CA-CD2 3.41Å; G116-F121 PolarHBondContact O-N 3.05Å
117	R	98.5	Very high	98.2	Very high	162 Å²	162	62.2 Å²	62.2	61%	0.611	28%	0.279	S	S	*	.	H	α-helix	trans	-68.5	-39.9	171.8	-75.4	-171.9	-93.5	-112.1	3.1	112.6	D112 T113 F114 Y115 Y119 D120	D112-R117 PolarHBondContact O-NH1 3.29Å; D112-R117 PolarHBondContact O-NH2 2.75Å; T113-R117 PolarHBondContact O-N 2.99Å; F114-R117 PolarHBondContact O-N 3.18Å; Y115-R117 PolarHBondContact O-N 3.36Å; R117-Y119 PolarHBondContact O-N 2.96Å; R117-D120 PolarHBondContact O-N 2.84Å; R117-D120 VanDerWaalsContact O-N 3.16Å
118	K	98.1	Very high	98.1	Very high	115 Å²	115	65.2 Å²	65.2	50%	0.5	30%	0.304	S	S	.	.	H	α-helix	trans	-55.5	-38.6	177.8	178.7	-177.9	175.3	-172.2	0	112.5	F114 Y115	F114-K118 WeakPolarHBondContact O-CB 3.3Å; F114-K118 PolarHBondContact O-N 3.16Å; Y115-K118 WeakPolarHBondContact O-CB 3.46Å; Y115-K118 PolarHBondContact O-N 2.86Å
119	Y	98.1	Very high	98.1	Very high	40 Å²	40	58.6 Å²	58.6	16%	0.157	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	8.7	-180	-65.7	-79.1	0	0	0	113.6	Y115 R117 F121 R133 H134 P135	Y115-Y119 AromaticContact CD1-CD2 3.82Å; Y115-Y119 HydrophobicContact CD1-CD2 3.82Å; Y115-Y119 HydrophobicContact CD1-CE2 4.07Å; Y115-Y119 HydrophobicContact CD2-CE2 4.28Å; Y115-Y119 AromaticContact CE1-CD2 3.55Å; Y115-Y119 HydrophobicContact CE1-CD2 3.55Å; Y115-Y119 AromaticContact CE1-CE2 3.54Å; Y115-Y119 HydrophobicContact CE1-CE2 3.54Å; Y115-Y119 AromaticContact CE2-CE2 3.79Å; Y115-Y119 HydrophobicContact CE2-CE2 3.79Å; Y115-Y119 HydrophobicContact CG-CD2 4.4Å; Y115-Y119 HydrophobicContact CG-CE2 4.41Å; Y115-Y119 AromaticContact CZ-CD2 3.93Å; Y115-Y119 AromaticContact CZ-CE2 3.38Å; Y115-Y119 WeakPolarHBondContact O-CD2 3.45Å; Y115-Y119 PolarHBondContact O-N 3.23Å; R117-Y119 PolarHBondContact O-N 2.96Å; Y119-F121 HydrophobicContact CG-CE1 4.4Å; Y119-F121 PolarHBondContact O-N 2.75Å; Y119-R133 WeakPolarHBondContact O-CG 3.49Å; Y119-H134 AromaticContact CD1-CD2 3.75Å; Y119-H134 AromaticContact CD2-CD2 3.81Å; Y119-H134 AromaticContact CE1-CD2 3.98Å; Y119-H134 AromaticContact CG-CD2 3.66Å; Y119-P135 HydrophobicContact CE1-CG 4.22Å
120	D	98.1	Very high	98.1	Very high	74 Å²	74	55 Å²	55	40%	0.396	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.6	55.6	-178.9	-175.4	31.4	0	0	0	113.6	G116 R117 R122 S123 R133	G116-D120 WeakPolarHBondContact O-CA 3.32Å; G116-D120 PolarHBondContact O-N 3.04Å; R117-D120 PolarHBondContact O-N 2.84Å; R117-D120 VanDerWaalsContact O-N 3.16Å; D120-R122 PolarHBondContact O-N 3.45Å; D120-S123 VanDerWaalsContact CG-OG 3.24Å; D120-S123 PolarHBondContact O-N 2.81Å; D120-S123 PolarHBondContact O-OG 2.83Å; D120-S123 VanDerWaalsContact OD2-CB 3.23Å; D120-S123 WeakPolarHBondContact OD2-CB 3.49Å; D120-S123 PolarHBondContact OD2-OG 2.91Å; D120-R133 IonicContact OD2-NH1 2.69Å; D120-R133 PolarHBondContact OD2-NH1 3.45Å
121	F	98.5	Very high	98.1	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.009	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-58.4	-19.6	179.9	-74.7	-5	0	0	0	114.1	L107 A111 Y115 G116 Y119 I124 F130 F458	L107-F121 HydrophobicContact CB-CB 4.24Å; L107-F121 HydrophobicContact CB-CD2 4.48Å; L107-F121 HydrophobicContact CB-CG 4.36Å; L107-F121 HydrophobicContact CD2-CD1 3.9Å; L107-F121 HydrophobicContact CD2-CD2 3.89Å; L107-F121 HydrophobicContact CD2-CE1 3.9Å; L107-F121 HydrophobicContact CD2-CE2 3.93Å; L107-F121 HydrophobicContact CD2-CG 3.89Å; L107-F121 HydrophobicContact CD2-CZ 3.92Å; A111-F121 HydrophobicContact CB-CB 4.28Å; Y115-F121 HydrophobicContact CD1-CE2 4.3Å; Y115-F121 AromaticContact CD1-CZ 3.92Å; Y115-F121 HydrophobicContact CD1-CZ 3.92Å; Y115-F121 HydrophobicContact CE1-CZ 4.08Å; G116-F121 VanDerWaalsContact CA-CD2 3.41Å; G116-F121 PolarHBondContact O-N 3.05Å; Y119-F121 HydrophobicContact CG-CE1 4.4Å; Y119-F121 PolarHBondContact O-N 2.75Å; F121-I124 HydrophobicContact CD1-CD1 3.91Å; F121-F130 HydrophobicContact CE1-CE2 4.41Å; F121-F458 HydrophobicContact CE2-CD1 4.07Å; F121-F458 HydrophobicContact CE2-CD2 4.35Å; F121-F458 AromaticContact CE2-CE1 3.62Å; F121-F458 HydrophobicContact CE2-CE1 3.62Å; F121-F458 AromaticContact CE2-CE2 3.91Å; F121-F458 HydrophobicContact CE2-CE2 3.91Å; F121-F458 HydrophobicContact CE2-CG 4.43Å; F121-F458 AromaticContact CE2-CZ 3.54Å; F121-F458 HydrophobicContact CE2-CZ 3.54Å; F121-F458 AromaticContact CZ-CD1 3.79Å; F121-F458 HydrophobicContact CZ-CD1 3.79Å; F121-F458 HydrophobicContact CZ-CD2 4.06Å; F121-F458 AromaticContact CZ-CE1 3.85Å; F121-F458 HydrophobicContact CZ-CE1 3.85Å; F121-F458 HydrophobicContact CZ-CE2 4.09Å; F121-F458 AromaticContact CZ-CG 3.92Å; F121-F458 HydrophobicContact CZ-CG 3.92Å; F121-F458 HydrophobicContact CZ-CZ 4.01Å
122	R	97.8	Very high	98	Very high	180 Å²	180	61.7 Å²	61.7	68%	0.679	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-70.2	-32.6	-178.5	-170.7	177.6	-71.3	-149.1	-1.2	112.4	A111 D112 D120	A111-R122 HydrophobicContact CB-CB 4.46Å; D112-R122 IonicContact OD1-CZ 3.66Å; D112-R122 IonicContact OD1-NH2 3.81Å; D112-R122 PolarHBondContact OD1-NH2 3.45Å; D112-R122 IonicContact OD2-NH2 3.35Å; D120-R122 PolarHBondContact O-N 3.45Å
123	S	97.8	Very high	97.9	Very high	52 Å²	52	63 Å²	63	36%	0.364	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-86.9	-3.8	-179.5	67.5	0	0	0	0	114.2	D120 E125 R133	D120-S123 VanDerWaalsContact CG-OG 3.24Å; D120-S123 PolarHBondContact O-N 2.81Å; D120-S123 PolarHBondContact O-OG 2.83Å; D120-S123 VanDerWaalsContact OD2-CB 3.23Å; D120-S123 WeakPolarHBondContact OD2-CB 3.49Å; D120-S123 PolarHBondContact OD2-OG 2.91Å; S123-E125 PolarHBondContact O-N 3.35Å; S123-R133 PolarHBondContact OG-NH1 2.7Å
124	I	98.5	Very high	97.9	Very high	11 Å²	11	63 Å²	63	6%	0.056	31%	0.313	C	S	.	.			trans	-82.6	117.5	-177.5	-60.3	176	0	0	0	109.6	L107 F121 D126 F130 R133	L107-I124 HydrophobicContact CD1-CB 4.1Å; L107-I124 HydrophobicContact CD1-CD1 4.25Å; L107-I124 HydrophobicContact CD1-CG2 3.66Å; F121-I124 HydrophobicContact CD1-CD1 3.91Å; I124-D126 WeakPolarHBondContact CG2-O 3.15Å; I124-F130 HydrophobicContact CD1-CD2 4.06Å; I124-F130 HydrophobicContact CG2-CB 3.76Å; I124-R133 HydrophobicContact CD1-CB 4.14Å; I124-R133 HydrophobicContact CD1-CG 4.1Å
125	E	97.8	Very high	97.8	Very high	161 Å²	161	61.5 Å²	61.5	75%	0.752	31%	0.313	S	S	*	.			trans	-100.9	-24.8	-174.8	-62.7	-171.2	166.2	0	0	114	L104 S123	L104-E125 WeakPolarHBondContact CD1-O 3.24Å; L104-E125 WeakPolarHBondContact CD2-O 3.3Å; S123-E125 PolarHBondContact O-N 3.35Å
126	D	98.3	Very high	97.7	Very high	65 Å²	65	63.5 Å²	63.5	35%	0.348	32%	0.323	S	S	.	.	S	Bend	trans	-149.4	177	-175.2	62.4	24.3	0	0	0	112.6	E100 I124 A128 G129 F130	E100-D126 WeakPolarHBondContact OE2-CB 3.31Å; I124-D126 WeakPolarHBondContact CG2-O 3.15Å; D126-A128 VanDerWaalsContact C-N 3.29Å; D126-A128 PolarHBondContact O-N 3.47Å; D126-A128 PolarHBondContact OD1-N 3.45Å; D126-A128 VanDerWaalsContact OD1-N 3.16Å; D126-G129 PolarHBondContact OD1-N 3.48Å; D126-F130 PolarHBondContact O-N 2.9Å; D126-F130 VanDerWaalsContact O-N 3.13Å
127	A	97.6	Very high	97.6	Very high	5 Å²	5	63.6 Å²	63.6	4%	0.041	32%	0.324	C	S	.	.	H	α-helix	trans	-64.3	-31.5	178.2	0	0	0	0	0	113.3	E100 L103 F130 R131 F419 L437	E100-A127 PolarHBondContact OE2-N 2.77Å; L103-A127 HydrophobicContact CD2-CB 4.09Å; A127-F130 PolarHBondContact O-N 2.86Å; A127-R131 WeakPolarHBondContact O-CB 3.18Å; A127-R131 VanDerWaalsContact O-CG 3.25Å; A127-R131 WeakPolarHBondContact O-CG 3.15Å; A127-R131 PolarHBondContact O-N 3.34Å; A127-F419 HydrophobicContact CB-CE2 4.29Å; A127-F419 HydrophobicContact CB-CZ 4.07Å; A127-L437 HydrophobicContact CB-CD1 4.35Å; A127-L437 HydrophobicContact CB-CD2 4.41Å
128	A	97.4	Very high	97.4	Very high	65 Å²	65	59.1 Å²	59.1	54%	0.537	32%	0.315	S	S	.	.	H	α-helix	trans	-69.8	-47.3	-179.6	0	0	0	0	0	111.3	D126 F130 R131 A132	D126-A128 VanDerWaalsContact C-N 3.29Å; D126-A128 PolarHBondContact O-N 3.47Å; D126-A128 PolarHBondContact OD1-N 3.45Å; D126-A128 VanDerWaalsContact OD1-N 3.16Å; A128-F130 VanDerWaalsContact C-N 3.28Å; A128-F130 PolarHBondContact O-N 3.4Å; A128-R131 PolarHBondContact O-N 2.94Å; A128-A132 WeakPolarHBondContact O-CB 3.26Å; A128-A132 PolarHBondContact O-N 3.19Å
129	G	97.9	Very high	97.1	Very high	28 Å²	28	55.8 Å²	55.8	29%	0.289	30%	0.3	S	S	.	.	H	α-helix	trans	-60.1	-38.1	173.8	0	0	0	0	0	112	D126 A132 R133	D126-G129 PolarHBondContact OD1-N 3.48Å; G129-A132 PolarHBondContact O-N 2.95Å; G129-R133 VanDerWaalsContact O-CB 3.24Å; G129-R133 WeakPolarHBondContact O-CB 3.26Å; G129-R133 PolarHBondContact O-N 3.34Å
130	F	98.3	Very high	96.9	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-61.7	-49.6	173.1	178.5	-120.9	0	0	0	112.3	L103 L107 F121 I124 D126 A127 A128 A132 R133 H134 F419 T452 F458 R459	L103-F130 HydrophobicContact CD1-CD1 3.66Å; L103-F130 HydrophobicContact CD1-CD2 4.41Å; L103-F130 HydrophobicContact CD1-CE1 3.68Å; L103-F130 HydrophobicContact CD1-CE2 4.45Å; L103-F130 HydrophobicContact CD1-CG 4.04Å; L103-F130 HydrophobicContact CD1-CZ 4.09Å; L103-F130 HydrophobicContact CD2-CB 3.89Å; L103-F130 HydrophobicContact CD2-CD1 3.73Å; L103-F130 HydrophobicContact CD2-CG 3.98Å; L103-F130 HydrophobicContact CG-CD1 4.32Å; L103-F130 HydrophobicContact CG-CG 4.5Å; L107-F130 HydrophobicContact CD1-CB 4.36Å; L107-F130 HydrophobicContact CD1-CD2 3.81Å; L107-F130 HydrophobicContact CD1-CE2 4.41Å; L107-F130 HydrophobicContact CD1-CG 4.2Å; L107-F130 HydrophobicContact CD2-CD2 3.94Å; L107-F130 HydrophobicContact CD2-CE2 3.71Å; L107-F130 HydrophobicContact CD2-CZ 4.47Å; F121-F130 HydrophobicContact CE1-CE2 4.41Å; I124-F130 HydrophobicContact CD1-CD2 4.06Å; I124-F130 HydrophobicContact CG2-CB 3.76Å; D126-F130 PolarHBondContact O-N 2.9Å; D126-F130 VanDerWaalsContact O-N 3.13Å; A127-F130 PolarHBondContact O-N 2.86Å; A128-F130 VanDerWaalsContact C-N 3.28Å; A128-F130 PolarHBondContact O-N 3.4Å; F130-A132 VanDerWaalsContact C-N 3.29Å; F130-A132 PolarHBondContact O-N 2.9Å; F130-R133 PolarHBondContact O-N 3.37Å; F130-R133 VanDerWaalsContact O-N 3.16Å; F130-H134 HydrophobicContact CD2-CB 4Å; F130-H134 HydrophobicContact CE2-CB 3.65Å; F130-H134 AromaticContact CE2-CG 3.89Å; F130-H134 HydrophobicContact CZ-CB 4.22Å; F130-H134 WeakPolarHBondContact O-CB 3.45Å; F130-H134 PolarHBondContact O-N 2.73Å; F130-F419 HydrophobicContact CD1-CE1 4.28Å; F130-F419 HydrophobicContact CE1-CE1 4.3Å; F130-T452 WeakPolarHBondContact CE1-OG1 3.31Å; F130-T452 HydrophobicContact CZ-CG2 4.3Å; F130-F458 HydrophobicContact CZ-CB 4.19Å; F130-F458 HydrophobicContact CZ-CD1 4.39Å; F130-R459 HydrophobicContact CD1-CG 4.25Å; F130-R459 HydrophobicContact CE1-CG 3.32Å; F130-R459 HydrophobicContact CE2-CG 4.47Å; F130-R459 HydrophobicContact CZ-CG 3.46Å; F130-R459 VanDerWaalsContact CZ-CG 3.46Å
131	R	97.2	Very high	96.8	Very high	61 Å²	61	56.3 Å²	56.3	23%	0.23	32%	0.316	C	S	.	.	H	α-helix	trans	-64.7	-31.6	-179.9	-71.8	172	60.6	-166.2	-5.3	113	A127 A128 E421 T435 E440 R459	A127-R131 WeakPolarHBondContact O-CB 3.18Å; A127-R131 VanDerWaalsContact O-CG 3.25Å; A127-R131 WeakPolarHBondContact O-CG 3.15Å; A127-R131 PolarHBondContact O-N 3.34Å; A128-R131 PolarHBondContact O-N 2.94Å; R131-E421 WeakPolarHBondContact CG-OE2 3.4Å; R131-E421 IonicContact NE-OE2 3.81Å; R131-T435 PolarHBondContact NE-OG1 3.14Å; R131-T435 PolarHBondContact NH2-O 3.43Å; R131-T435 PolarHBondContact NH2-OG1 3.02Å; R131-E440 IonicContact NH1-OE2 3.65Å; R131-R459 PolarHBondContact O-NH1 3.48Å
132	A	96.1	Very high	96.7	Very high	92 Å²	92	56.3 Å²	56.3	76%	0.76	32%	0.316	S	S	*	.	H	α-helix	trans	-74.4	-30.7	174.8	0	0	0	0	0	112.8	A128 G129 F130	A128-A132 WeakPolarHBondContact O-CB 3.26Å; A128-A132 PolarHBondContact O-N 3.19Å; G129-A132 PolarHBondContact O-N 2.95Å; F130-A132 VanDerWaalsContact C-N 3.29Å; F130-A132 PolarHBondContact O-N 2.9Å
133	R	96.8	Very high	96.6	Very high	112 Å²	112	53.6 Å²	53.6	42%	0.423	31%	0.305	S	S	.	.	H	α-helix	trans	-90.3	-38.4	-175.1	-172.4	62.7	57	76.8	4.9	113.8	Y119 D120 S123 I124 G129 F130	Y119-R133 WeakPolarHBondContact O-CG 3.49Å; D120-R133 IonicContact OD2-NH1 2.69Å; D120-R133 PolarHBondContact OD2-NH1 3.45Å; S123-R133 PolarHBondContact OG-NH1 2.7Å; I124-R133 HydrophobicContact CD1-CB 4.14Å; I124-R133 HydrophobicContact CD1-CG 4.1Å; G129-R133 VanDerWaalsContact O-CB 3.24Å; G129-R133 WeakPolarHBondContact O-CB 3.26Å; G129-R133 PolarHBondContact O-N 3.34Å; F130-R133 PolarHBondContact O-N 3.37Å; F130-R133 VanDerWaalsContact O-N 3.16Å
134	H	97.5	Very high	96.6	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.009	32%	0.319	C	S	.	.	S	Bend	trans	-108.6	129.9	-170.5	-170.6	-84.7	0	0	0	110.6	Y115 Y119 F130 F458 R459	Y115-H134 AromaticContact CE1-NE2 3.55Å; Y115-H134 AromaticContact CZ-NE2 3.66Å; Y115-H134 PolarHBondContact OH-NE2 3.45Å; Y119-H134 AromaticContact CD1-CD2 3.75Å; Y119-H134 AromaticContact CD2-CD2 3.81Å; Y119-H134 AromaticContact CE1-CD2 3.98Å; Y119-H134 AromaticContact CG-CD2 3.66Å; F130-H134 HydrophobicContact CD2-CB 4Å; F130-H134 HydrophobicContact CE2-CB 3.65Å; F130-H134 AromaticContact CE2-CG 3.89Å; F130-H134 HydrophobicContact CZ-CB 4.22Å; F130-H134 WeakPolarHBondContact O-CB 3.45Å; F130-H134 PolarHBondContact O-N 2.73Å; H134-F458 PolarHBondContact CE1-O 3.08Å; H134-R459 WeakPolarHBondContact ND1-CG 3.32Å; H134-R459 VanDerWaalsContact O-CD 3.22Å; H134-R459 WeakPolarHBondContact O-CD 3.41Å; H134-R459 PolarHBondContact O-NH1 3.27Å
135	P	96.2	Very high	96.5	Very high	63 Å²	63	58.3 Å²	58.3	41%	0.409	32%	0.321	S	S	.	.			trans	-75.9	160.2	180	32.6	-35.9	0	0	0	111.9	Y119 T137	Y119-P135 HydrophobicContact CE1-CG 4.22Å; P135-T137 HydrophobicContact CG-CG2 4.41Å
136	I	96.4	Very high	96.5	Very high	43 Å²	43	50.8 Å²	50.8	22%	0.221	29%	0.286	C	S	.	.			trans	-67.5	135.3	166.4	-62.9	170.7	0	0	0	108.5	P433 T435 R461	I136-P433 HydrophobicContact CD1-CG 4.09Å; I136-T435 HydrophobicContact CD1-CG2 3.82Å; I136-R461 HydrophobicContact CG2-CG 3.49Å; I136-R461 VanDerWaalsContact CG2-CG 3.49Å
137	T	96.2	Very high	96.4	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.012	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-123	163.1	-172.6	58.2	0	0	0	0	113	P135 D141 Y142 F458 R459 Y460 R461	P135-T137 HydrophobicContact CG-CG2 4.41Å; T137-D141 WeakPolarHBondContact CA-OD2 3.28Å; T137-D141 HydrophobicContact CG2-CB 4.15Å; T137-Y142 HydrophobicContact CG2-CE2 4.35Å; T137-Y142 VanDerWaalsContact OG1-CE2 3.26Å; T137-Y142 WeakPolarHBondContact OG1-CE2 3.32Å; T137-Y142 PolarHBondContact OG1-OH 2.98Å; T137-F458 PolarHBondContact OG1-O 3.1Å; T137-R459 PolarHBondContact N-O 3.23Å; T137-R459 PolarHBondContact OG1-O 2.7Å; T137-Y460 WeakPolarHBondContact OG1-CA 3.26Å; T137-R461 PolarHBondContact O-N 2.86Å
138	T	93.9	Very high	96.4	Very high	68 Å²	68	56 Å²	56	42%	0.417	31%	0.305	S	S	.	.			trans	-128.8	178.6	173.3	68.4	0	0	0	0	109.7	G140 D141 Y142	T138-G140 PolarHBondContact O-N 3.11Å; T138-D141 PolarHBondContact N-OD2 3.41Å; T138-D141 PolarHBondContact O-N 2.94Å; T138-D141 VanDerWaalsContact O-N 3.16Å; T138-D141 PolarHBondContact OG1-OD2 2.84Å; T138-Y142 VanDerWaalsContact O-CD2 3.26Å; T138-Y142 WeakPolarHBondContact O-CD2 3.47Å
139	Y	92.9	Very high	96.4	Very high	46 Å²	46	53.3 Å²	53.3	18%	0.18	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-60.8	-29.3	179.7	178.8	-111.4	0	0	0	113.4	D141 Y142 R143 I146 A176 M177 L178	Y139-D141 PolarHBondContact O-N 3.33Å; Y139-Y142 PolarHBondContact O-N 2.99Å; Y139-Y142 VanDerWaalsContact O-N 3.1Å; Y139-R143 HydrophobicContact CE1-CB 4.44Å; Y139-R143 PolarHBondContact O-N 2.68Å; Y139-I146 HydrophobicContact CE2-CD1 4.19Å; Y139-A176 HydrophobicContact CD1-CB 3.76Å; Y139-A176 HydrophobicContact CD2-CB 3.6Å; Y139-A176 HydrophobicContact CE1-CB 3.71Å; Y139-A176 HydrophobicContact CE2-CB 3.56Å; Y139-A176 HydrophobicContact CG-CB 3.7Å; Y139-M177 VanDerWaalsContact CE2-O 3.26Å; Y139-M177 WeakPolarHBondContact CE2-O 3.38Å; Y139-M177 PolarHBondContact OH-N 3.11Å; Y139-L178 HydrophobicContact CD2-CD2 4.01Å; Y139-L178 HydrophobicContact CE2-CD2 4.15Å
140	G	94	Very high	96.3	Very high	46 Å²	46	52.7 Å²	52.7	47%	0.474	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-55.6	-37.2	177.3	0	0	0	0	0	112.5	T138 Y142	T138-G140 PolarHBondContact O-N 3.11Å; G140-Y142 PolarHBondContact O-N 3.24Å
141	D	96	Very high	96.2	Very high	79 Å²	79	55.4 Å²	55.4	42%	0.422	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-71.5	-14.8	-177.8	-55.5	-64.6	0	0	0	113.9	T137 T138 Y139 F145	T137-D141 WeakPolarHBondContact CA-OD2 3.28Å; T137-D141 HydrophobicContact CG2-CB 4.15Å; T138-D141 PolarHBondContact N-OD2 3.41Å; T138-D141 PolarHBondContact O-N 2.94Å; T138-D141 VanDerWaalsContact O-N 3.16Å; T138-D141 PolarHBondContact OG1-OD2 2.84Å; Y139-D141 PolarHBondContact O-N 3.33Å; D141-F145 WeakPolarHBondContact O-CD2 3.35Å; D141-F145 WeakPolarHBondContact O-CE2 3.32Å
142	Y	96.9	Very high	96.2	Very high	1 Å²	1	54.2 Å²	54.2	0%	0.004	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-17.6	-177.5	-63.4	-81.5	0	0	0	113.9	Y115 T137 T138 Y139 G140 E144 F145 I146 I157 G456 L457 F458 Y460	Y115-Y142 HydrophobicContact CE2-CE1 4.15Å; Y115-Y142 AromaticContact CZ-CE1 3.96Å; T137-Y142 HydrophobicContact CG2-CE2 4.35Å; T137-Y142 VanDerWaalsContact OG1-CE2 3.26Å; T137-Y142 WeakPolarHBondContact OG1-CE2 3.32Å; T137-Y142 PolarHBondContact OG1-OH 2.98Å; T138-Y142 VanDerWaalsContact O-CD2 3.26Å; T138-Y142 WeakPolarHBondContact O-CD2 3.47Å; Y139-Y142 PolarHBondContact O-N 2.99Å; Y139-Y142 VanDerWaalsContact O-N 3.1Å; G140-Y142 PolarHBondContact O-N 3.24Å; Y142-E144 PolarHBondContact O-N 3.18Å; Y142-F145 PolarHBondContact O-N 2.74Å; Y142-F145 VanDerWaalsContact O-N 3.1Å; Y142-I146 WeakPolarHBondContact O-CG1 3.32Å; Y142-I146 PolarHBondContact O-N 3.48Å; Y142-I157 HydrophobicContact CD1-CD1 4.27Å; Y142-G456 WeakPolarHBondContact CE1-O 3.2Å; Y142-L457 HydrophobicContact CD1-CD2 4.37Å; Y142-L457 HydrophobicContact CD2-CD2 4.09Å; Y142-L457 HydrophobicContact CE1-CD2 4.43Å; Y142-L457 HydrophobicContact CE2-CD2 4.17Å; Y142-L457 HydrophobicContact CG-CD2 4.2Å; Y142-F458 PolarHBondContact OH-N 3.22Å; Y142-F458 PolarHBondContact OH-O 2.87Å; Y142-Y460 HydrophobicContact CD2-CD2 4.17Å; Y142-Y460 AromaticContact CE2-CD2 3.87Å; Y142-Y460 HydrophobicContact CE2-CD2 3.87Å
143	R	95.4	Very high	96.3	Very high	123 Å²	123	53.9 Å²	53.9	46%	0.464	29%	0.286	S	S	.	.	H	α-helix	trans	-51.8	-54.8	-170.3	-176.8	-178.2	-60.6	175	1.5	112.3	Y139 F145 I146 E147	Y139-R143 HydrophobicContact CE1-CB 4.44Å; Y139-R143 PolarHBondContact O-N 2.68Å; R143-F145 VanDerWaalsContact C-N 3.32Å; R143-F145 PolarHBondContact O-N 3.49Å; R143-I146 PolarHBondContact O-N 2.89Å; R143-E147 WeakPolarHBondContact CG-OE1 3.26Å; R143-E147 WeakPolarHBondContact O-CG 3.36Å; R143-E147 PolarHBondContact O-N 3.06Å
144	E	96.5	Very high	96.3	Very high	141 Å²	141	54.9 Å²	54.9	66%	0.659	30%	0.295	S	S	*	.	H	α-helix	trans	-63.5	-37.7	-178.3	-63.8	-178.7	176.8	0	0	112.3	Y142 I146 E147 R148	Y142-E144 PolarHBondContact O-N 3.18Å; E144-I146 VanDerWaalsContact C-N 3.35Å; E144-E147 PolarHBondContact O-N 3.19Å; E144-R148 VanDerWaalsContact O-CG 3.32Å; E144-R148 WeakPolarHBondContact O-CG 3.37Å; E144-R148 PolarHBondContact O-N 2.9Å
145	F	97.6	Very high	96.2	Very high	21 Å²	21	60.4 Å²	60.4	9%	0.092	32%	0.319	C	S	.	.	H	α-helix	trans	-67.8	-36.9	177.5	-62.3	-59.5	0	0	0	112.1	F114 Y115 D141 Y142 R143 R148 V149 V156 I157	F114-F145 HydrophobicContact CD1-CD1 4.43Å; F114-F145 AromaticContact CD1-CE1 3.83Å; F114-F145 HydrophobicContact CD1-CE1 3.83Å; F114-F145 AromaticContact CE1-CE1 3.61Å; F114-F145 HydrophobicContact CE1-CE1 3.61Å; F114-F145 HydrophobicContact CE1-CZ 4.27Å; Y115-F145 HydrophobicContact CD2-CD2 4.01Å; Y115-F145 AromaticContact CD2-CE2 3.8Å; Y115-F145 HydrophobicContact CD2-CE2 3.8Å; Y115-F145 HydrophobicContact CD2-CZ 4.15Å; Y115-F145 HydrophobicContact CE2-CD2 4.08Å; Y115-F145 AromaticContact CE2-CE2 3.76Å; Y115-F145 HydrophobicContact CE2-CE2 3.76Å; Y115-F145 HydrophobicContact CE2-CZ 4.44Å; D141-F145 WeakPolarHBondContact O-CD2 3.35Å; D141-F145 WeakPolarHBondContact O-CE2 3.32Å; Y142-F145 PolarHBondContact O-N 2.74Å; Y142-F145 VanDerWaalsContact O-N 3.1Å; R143-F145 VanDerWaalsContact C-N 3.32Å; R143-F145 PolarHBondContact O-N 3.49Å; F145-R148 PolarHBondContact O-N 3.42Å; F145-V149 WeakPolarHBondContact O-CG2 3.26Å; F145-V149 PolarHBondContact O-N 2.83Å; F145-V149 VanDerWaalsContact O-N 3.09Å; F145-V156 HydrophobicContact CB-CG1 3.86Å; F145-V156 HydrophobicContact CD1-CG1 3.64Å; F145-V156 HydrophobicContact CG-CG1 4.17Å; F145-I157 HydrophobicContact CB-CD1 3.41Å; F145-I157 VanDerWaalsContact CB-CD1 3.41Å; F145-I157 HydrophobicContact CB-CG1 3.53Å; F145-I157 HydrophobicContact CG-CD1 4.42Å; F145-I157 HydrophobicContact CG-CG1 4.26Å
146	I	96.8	Very high	96.3	Very high	4 Å²	4	57.5 Å²	57.5	2%	0.021	30%	0.3	C	S	.	.	H	α-helix	trans	-71.3	-37.5	177.5	-66.6	175.7	0	0	0	110.5	Y139 Y142 R143 E144 V149 A150 I157 M177 L179	Y139-I146 HydrophobicContact CE2-CD1 4.19Å; Y142-I146 WeakPolarHBondContact O-CG1 3.32Å; Y142-I146 PolarHBondContact O-N 3.48Å; R143-I146 PolarHBondContact O-N 2.89Å; E144-I146 VanDerWaalsContact C-N 3.35Å; I146-V149 PolarHBondContact O-N 2.87Å; I146-A150 WeakPolarHBondContact O-CB 3.48Å; I146-A150 PolarHBondContact O-N 3.46Å; I146-I157 HydrophobicContact CG1-CD1 3.87Å; I146-M177 WeakPolarHBondContact CD1-O 3.47Å; I146-M177 HydrophobicContact CG2-CB 4.25Å; I146-M177 HydrophobicContact CG2-CG 4.03Å; I146-M177 HydrophobicContact CG2-SD 4.06Å; I146-L179 HydrophobicContact CG1-CD2 4.28Å; I146-L179 HydrophobicContact CG1-CG 4.35Å; I146-L179 HydrophobicContact CG2-CD2 4.2Å
147	E	96.4	Very high	96.4	Very high	113 Å²	113	55.5 Å²	55.5	53%	0.528	29%	0.29	S	S	.	.	H	α-helix	trans	-61.5	-42.8	172.8	-73.6	168.8	-178	0	0	111.6	R143 E144 V149 A150 A151	R143-E147 WeakPolarHBondContact CG-OE1 3.26Å; R143-E147 WeakPolarHBondContact O-CG 3.36Å; R143-E147 PolarHBondContact O-N 3.06Å; E144-E147 PolarHBondContact O-N 3.19Å; E147-V149 VanDerWaalsContact C-N 3.35Å; E147-V149 PolarHBondContact O-N 3.19Å; E147-A150 WeakPolarHBondContact O-CB 3.4Å; E147-A150 PolarHBondContact O-N 3.39Å; E147-A150 VanDerWaalsContact O-N 3.14Å; E147-A151 WeakPolarHBondContact O-CB 3.47Å; E147-A151 PolarHBondContact O-N 2.83Å
148	R	97.7	Very high	96.4	Very high	66 Å²	66	55.7 Å²	55.7	25%	0.249	29%	0.291	C	S	.	.	H	α-helix	trans	-59.2	-43.4	172.6	-72.5	165.8	62	-175.5	1.2	112.5	E144 F145 A150 A151 G152 E153 V156	E144-R148 VanDerWaalsContact O-CG 3.32Å; E144-R148 WeakPolarHBondContact O-CG 3.37Å; E144-R148 PolarHBondContact O-N 2.9Å; F145-R148 PolarHBondContact O-N 3.42Å; R148-A150 VanDerWaalsContact C-N 3.34Å; R148-A151 PolarHBondContact O-N 2.92Å; R148-G152 PolarHBondContact O-N 2.99Å; R148-G152 VanDerWaalsContact O-N 3.16Å; R148-E153 HydrophobicContact CB-CB 4.27Å; R148-E153 IonicContact CZ-OE1 2.6Å; R148-E153 IonicContact CZ-OE2 2.87Å; R148-E153 IonicContact NE-OE1 3.97Å; R148-E153 IonicContact NE-OE2 2.78Å; R148-E153 PolarHBondContact NE-OE2 3.28Å; R148-E153 VanDerWaalsContact NH2-CD 3.28Å; R148-E153 IonicContact NH2-OE1 2.72Å; R148-E153 PolarHBondContact NH2-OE1 2.92Å; R148-E153 IonicContact NH2-OE2 2.72Å; R148-E153 PolarHBondContact NH2-OE2 2.69Å; R148-E153 WeakPolarHBondContact O-CB 3.41Å; R148-E153 PolarHBondContact O-N 3.39Å; R148-V156 HydrophobicContact CB-CG2 4.24Å
149	V	97.4	Very high	96.5	Very high	9 Å²	9	54.3 Å²	54.3	6%	0.055	29%	0.287	C	S	.	.	H	α-helix	trans	-63.9	-40.3	174.6	173.4	0	0	0	0	111.3	F145 I146 E147 A151 G152 V156 P162 L179 I229	F145-V149 WeakPolarHBondContact O-CG2 3.26Å; F145-V149 PolarHBondContact O-N 2.83Å; F145-V149 VanDerWaalsContact O-N 3.09Å; I146-V149 PolarHBondContact O-N 2.87Å; E147-V149 VanDerWaalsContact C-N 3.35Å; E147-V149 PolarHBondContact O-N 3.19Å; V149-A151 VanDerWaalsContact C-N 3.3Å; V149-A151 PolarHBondContact O-N 3.01Å; V149-G152 PolarHBondContact O-N 3.37Å; V149-V156 HydrophobicContact CG2-CB 3.8Å; V149-V156 HydrophobicContact CG2-CG2 3.98Å; V149-P162 HydrophobicContact CG1-CG 3.81Å; V149-L179 HydrophobicContact CB-CD2 4.44Å; V149-L179 HydrophobicContact CG1-CD2 4Å; V149-I229 HydrophobicContact CG1-CD1 4.25Å; V149-I229 WeakPolarHBondContact O-CD1 3.36Å
150	A	96.1	Very high	96.6	Very high	15 Å²	15	55.2 Å²	55.2	12%	0.124	29%	0.292	C	S	.	.	H	α-helix	trans	-63.9	-35.7	177.2	0	0	0	0	0	112.5	I146 E147 R148 G152 L165 S225 E226 A227	I146-A150 WeakPolarHBondContact O-CB 3.48Å; I146-A150 PolarHBondContact O-N 3.46Å; E147-A150 WeakPolarHBondContact O-CB 3.4Å; E147-A150 PolarHBondContact O-N 3.39Å; E147-A150 VanDerWaalsContact O-N 3.14Å; R148-A150 VanDerWaalsContact C-N 3.34Å; A150-G152 PolarHBondContact O-N 3.37Å; A150-L165 HydrophobicContact CB-CD1 3.61Å; A150-S225 WeakPolarHBondContact O-CB 3.19Å; A150-S225 PolarHBondContact O-OG 3.05Å; A150-E226 PolarHBondContact O-N 3Å; A150-A227 WeakPolarHBondContact O-CB 2.74Å; A150-A227 PolarHBondContact O-N 2.76Å; A150-A227 VanDerWaalsContact O-N 3.14Å
151	A	97.2	Very high	96.6	Very high	57 Å²	57	58.6 Å²	58.6	47%	0.471	29%	0.294	S	S	.	.	H	α-helix	trans	-72.9	-12.6	173.2	0	0	0	0	0	113.6	E147 R148 V149	E147-A151 WeakPolarHBondContact O-CB 3.47Å; E147-A151 PolarHBondContact O-N 2.83Å; R148-A151 PolarHBondContact O-N 2.92Å; V149-A151 VanDerWaalsContact C-N 3.3Å; V149-A151 PolarHBondContact O-N 3.01Å
152	G	95.9	Very high	96.6	Very high	36 Å²	36	55.2 Å²	55.2	37%	0.371	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	108.7	6.5	172	0	0	0	0	0	115.2	R148 V149 A150 E154	R148-G152 PolarHBondContact O-N 2.99Å; R148-G152 VanDerWaalsContact O-N 3.16Å; V149-G152 PolarHBondContact O-N 3.37Å; A150-G152 PolarHBondContact O-N 3.37Å; G152-E154 PolarHBondContact O-N 3.47Å
153	E	97.6	Very high	96.4	Very high	84 Å²	84	59.3 Å²	59.3	39%	0.393	30%	0.298	S	S	.	.			trans	-70.2	121.7	172.3	-163.6	-178.1	162.9	0	0	110.3	R148 V156	R148-E153 HydrophobicContact CB-CB 4.27Å; R148-E153 IonicContact CZ-OE1 2.6Å; R148-E153 IonicContact CZ-OE2 2.87Å; R148-E153 IonicContact NE-OE1 3.97Å; R148-E153 IonicContact NE-OE2 2.78Å; R148-E153 PolarHBondContact NE-OE2 3.28Å; R148-E153 VanDerWaalsContact NH2-CD 3.28Å; R148-E153 IonicContact NH2-OE1 2.72Å; R148-E153 PolarHBondContact NH2-OE1 2.92Å; R148-E153 IonicContact NH2-OE2 2.72Å; R148-E153 PolarHBondContact NH2-OE2 2.69Å; R148-E153 WeakPolarHBondContact O-CB 3.41Å; R148-E153 PolarHBondContact O-N 3.39Å; E153-V156 HydrophobicContact CB-CG2 3.73Å; E153-V156 HydrophobicContact CG-CG2 3.59Å; E153-V156 WeakPolarHBondContact O-CG2 3.45Å
154	E	96.9	Very high	96.3	Very high	133 Å²	133	54.2 Å²	54.2	62%	0.621	28%	0.28	S	S	*	.			trans	-90	159.1	179.3	-61.6	-169.1	169.7	0	0	111.8	G152 V156	G152-E154 PolarHBondContact O-N 3.47Å; E154-V156 PolarHBondContact O-N 3.45Å; E154-V156 VanDerWaalsContact O-N 3.16Å
155	K	97.1	Very high	96.2	Very high	119 Å²	119	47.5 Å²	47.5	52%	0.517	25%	0.248	S	C	.	.	S	Bend	trans	56.4	32	175.8	-55.7	179	-175.7	177	0	113.5	T113 F114 I158	T113-K155 CarbonylContact C-O 3.6Å; T113-K155 WeakPolarHBondContact CA-O 3.39Å; T113-K155 WeakPolarHBondContact CB-O 3.35Å; T113-K155 HydrophobicContact CG2-CB 4.44Å; F114-K155 PolarHBondContact N-O 2.8Å; K155-I158 WeakPolarHBondContact CA-O 3.43Å
156	V	98	Very high	95.9	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.006	24%	0.244	C	C	.	.	S	Bend	trans	-74	-64.6	173.8	-176.2	0	0	0	0	110.1	F114 Y115 F145 R148 V149 E153 E154	F114-V156 PolarHBondContact N-O 2.78Å; Y115-V156 VanDerWaalsContact CB-O 3.32Å; Y115-V156 WeakPolarHBondContact CB-O 3.32Å; Y115-V156 PolarHBondContact N-O 3.02Å; F145-V156 HydrophobicContact CB-CG1 3.86Å; F145-V156 HydrophobicContact CD1-CG1 3.64Å; F145-V156 HydrophobicContact CG-CG1 4.17Å; R148-V156 HydrophobicContact CB-CG2 4.24Å; V149-V156 HydrophobicContact CG2-CB 3.8Å; V149-V156 HydrophobicContact CG2-CG2 3.98Å; E153-V156 HydrophobicContact CB-CG2 3.73Å; E153-V156 HydrophobicContact CG-CG2 3.59Å; E153-V156 WeakPolarHBondContact O-CG2 3.45Å; E154-V156 PolarHBondContact O-N 3.45Å; E154-V156 VanDerWaalsContact O-N 3.16Å
157	I	97.6	Very high	95.5	Very high	2 Å²	2	47 Å²	47	1%	0.01	25%	0.247	C	C	.	.	S	Bend	trans	-106.5	-49.7	-179.1	-44.8	176.1	0	0	0	110.7	T113 Y115 Y142 F145 I146 L179 G456 F458	T113-I157 PolarHBondContact OG1-O 3.17Å; T113-I157 VanDerWaalsContact OG1-O 3.11Å; Y115-I157 HydrophobicContact CG-CG2 4.4Å; Y142-I157 HydrophobicContact CD1-CD1 4.27Å; F145-I157 HydrophobicContact CB-CD1 3.41Å; F145-I157 VanDerWaalsContact CB-CD1 3.41Å; F145-I157 HydrophobicContact CB-CG1 3.53Å; F145-I157 HydrophobicContact CG-CD1 4.42Å; F145-I157 HydrophobicContact CG-CG1 4.26Å; I146-I157 HydrophobicContact CG1-CD1 3.87Å; I157-L179 HydrophobicContact CB-CD1 4.36Å; I157-L179 HydrophobicContact CD1-CD1 4.14Å; I157-G456 WeakPolarHBondContact CG2-O 3.42Å; I157-F458 HydrophobicContact CG2-CE2 4.09Å
158	I	97.3	Very high	94.9	Very high	5 Å²	5	42.5 Å²	42.5	3%	0.026	23%	0.226	C	C	.	.	S	Bend	trans	-108.5	149.8	-178.6	56.6	169	0	0	0	111.1	N110 T113 K155 E160 P162 L179 T181	N110-I158 VanDerWaalsContact OD1-CA 3.32Å; N110-I158 WeakPolarHBondContact OD1-CA 3.26Å; T113-I158 VanDerWaalsContact CG2-C 3.42Å; K155-I158 WeakPolarHBondContact CA-O 3.43Å; I158-E160 VanDerWaalsContact C-N 3.25Å; I158-E160 HydrophobicContact CD1-CG 4.31Å; I158-E160 VanDerWaalsContact CD1-O 3.22Å; I158-E160 WeakPolarHBondContact CD1-O 3.3Å; I158-E160 VanDerWaalsContact CG1-O 3.3Å; I158-E160 WeakPolarHBondContact CG1-O 3.39Å; I158-E160 PolarHBondContact O-N 3.1Å; I158-P162 HydrophobicContact CD1-CB 4.16Å; I158-L179 HydrophobicContact CD1-CB 4.35Å; I158-L179 HydrophobicContact CD1-CD1 3.79Å; I158-L179 HydrophobicContact CG1-CD1 3.79Å; I158-L179 HydrophobicContact CG2-CD1 4.29Å; I158-T181 HydrophobicContact CD1-CG2 3.67Å
159	A	96.1	Very high	93.9	Very high	40 Å²	40	40.1 Å²	40.1	33%	0.331	22%	0.22	S	C	.	.	S	Bend	trans	-75.6	-9.3	-177.3	0	0	0	0	0	114.8	K109 N110 T113	K109-A159 WeakPolarHBondContact O-CB 3.22Å; N110-A159 PolarHBondContact OD1-N 3.3Å; T113-A159 HydrophobicContact CG2-CB 4.16Å
160	E	93.8	Very high	92.6	Very high	64 Å²	64	40.1 Å²	40.1	30%	0.299	22%	0.222	S	C	.	.	S	Bend	trans	-122.1	162.7	-177.2	67.6	-169.4	149.7	0	0	111.9	K109 I158 T181	K109-E160 IonicContact NZ-OE1 2.76Å; K109-E160 PolarHBondContact NZ-OE1 3.4Å; K109-E160 IonicContact NZ-OE2 3.93Å; I158-E160 VanDerWaalsContact C-N 3.25Å; I158-E160 HydrophobicContact CD1-CG 4.31Å; I158-E160 VanDerWaalsContact CD1-O 3.22Å; I158-E160 WeakPolarHBondContact CD1-O 3.3Å; I158-E160 VanDerWaalsContact CG1-O 3.3Å; I158-E160 WeakPolarHBondContact CG1-O 3.39Å; I158-E160 PolarHBondContact O-N 3.1Å; E160-T181 HydrophobicContact CG-CG2 4.42Å; E160-T181 WeakPolarHBondContact OE1-CB 3.22Å
161	K	94	Very high	91.1	Very high	117 Å²	117	40 Å²	40	51%	0.509	22%	0.22	S	C	.	.			trans	-71.3	129.8	171.1	-170.7	171.5	-178.8	167.8	0	109.3	A227 I229	K161-A227 PolarHBondContact NZ-O 2.98Å; K161-A227 VanDerWaalsContact NZ-O 3.16Å; K161-I229 VanDerWaalsContact CE-CG1 3.48Å
162	P	95.4	Very high	89.5	Confident	9 Å²	9	39.5 Å²	39.5	6%	0.058	21%	0.213	C	C	.	.			trans	-64.2	148.6	176.5	28.9	-36.3	0	0	0	110.8	V149 I158 L165 L179 S180 I229	V149-P162 HydrophobicContact CG1-CG 3.81Å; I158-P162 HydrophobicContact CD1-CB 4.16Å; P162-L165 HydrophobicContact CG-CD2 4.08Å; P162-L179 HydrophobicContact CB-CB 4.3Å; P162-L179 HydrophobicContact CB-CD2 4.38Å; P162-L179 HydrophobicContact CG-CD2 4.29Å; P162-S180 CarbonylContact C-O 3.56Å; P162-S180 WeakPolarHBondContact CA-O 3.45Å; P162-I229 HydrophobicContact CG-CD1 3.92Å; P162-I229 HydrophobicContact CG-CG2 4.19Å
163	L	93.1	Very high	88.2	Confident	86 Å²	86	39 Å²	39	45%	0.45	21%	0.207	S	C	.	.	S	Bend	trans	-72.9	-35.7	174.9	-65.3	-178	0	0	0	111.6	S180 K182	L163-S180 PolarHBondContact N-O 2.97Å; L163-K182 HydrophobicContact CD1-CB 4.32Å
164	I	93.2	Very high	86.9	Confident	17 Å²	17	40.1 Å²	40.1	9%	0.087	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	147.6	-179.4	-176.8	172	0	0	0	109.3	S180 F222 P230	I164-S180 VanDerWaalsContact CG2-CB 3.48Å; I164-S180 PolarHBondContact O-N 3.5Å; I164-F222 HydrophobicContact CD1-CD1 3.9Å; I164-F222 HydrophobicContact CD1-CE1 3.48Å; I164-F222 VanDerWaalsContact CD1-CE1 3.48Å; I164-P230 WeakPolarHBondContact CA-O 3.42Å; I164-P230 HydrophobicContact CG1-CB 4.19Å; I164-P230 VanDerWaalsContact CG1-O 3.28Å; I164-P230 WeakPolarHBondContact CG1-O 3.02Å
165	L	94.4	Very high	86.1	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	98.6	163.5	-55.2	-179	0	0	0	108.3	A150 P162 M177 L178 L179 I229 P230 I231 G232	A150-L165 HydrophobicContact CB-CD1 3.61Å; P162-L165 HydrophobicContact CG-CD2 4.08Å; L165-M177 HydrophobicContact CB-CG 3.7Å; L165-M177 HydrophobicContact CB-SD 3.7Å; L165-M177 HydrophobicContact CD1-SD 3.61Å; L165-M177 HydrophobicContact CG-SD 4.16Å; L165-L178 CarbonylContact C-O 3.54Å; L165-L178 WeakPolarHBondContact CA-O 3.21Å; L165-L179 HydrophobicContact CD2-CD2 3.44Å; L165-L179 VanDerWaalsContact CD2-CD2 3.44Å; L165-I229 HydrophobicContact CD1-CB 4.38Å; L165-I229 HydrophobicContact CD1-CG2 4.4Å; L165-I229 HydrophobicContact CD2-CG2 4.24Å; L165-I229 HydrophobicContact CG-CB 4.27Å; L165-I229 HydrophobicContact CG-CG2 3.75Å; L165-P230 PolarHBondContact N-O 3.37Å; L165-I231 HydrophobicContact CB-CB 4.46Å; L165-I231 HydrophobicContact CB-CG1 4.11Å; L165-I231 HydrophobicContact CB-CG2 4.34Å; L165-I231 HydrophobicContact CD1-CD1 4.19Å; L165-I231 HydrophobicContact CD1-CG1 4.07Å; L165-I231 HydrophobicContact CG-CG1 4.48Å; L165-I231 WeakPolarHBondContact O-CA 3.28Å; L165-G232 PolarHBondContact O-N 3.18Å; L165-G232 VanDerWaalsContact O-N 3.12Å
166	A	91.3	Very high	85.6	Confident	0 Å²	0	30 Å²	30	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	123.1	-172.4	0	0	0	0	0	112.1	M177 L178 G232 N234 T394	A166-M177 CarbonylContact O-C 3.45Å; A166-M177 WeakPolarHBondContact O-CA 3.44Å; A166-L178 PolarHBondContact N-O 3.09Å; A166-L178 PolarHBondContact O-N 2.76Å; A166-G232 CarbonylContact C-O 3.45Å; A166-G232 VanDerWaalsContact CA-O 3.26Å; A166-G232 WeakPolarHBondContact CA-O 3.41Å; A166-N234 HydrophobicContact CB-CB 3.74Å; A166-T394 HydrophobicContact CB-CG2 3.53Å
167	M	89.4	Confident	85.3	Confident	15 Å²	15	31.8 Å²	31.8	7%	0.074	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	130.6	176.5	-63.4	-57.3	-51.6	0	0	111.5	A176 M177 I231 G232	M167-A176 CarbonylContact C-O 3.5Å; M167-A176 WeakPolarHBondContact CA-O 3.24Å; M167-M177 HydrophobicContact SD-CB 3.99Å; M167-M177 HydrophobicContact SD-CE 3.99Å; M167-M177 HydrophobicContact SD-CG 4.05Å; M167-I231 HydrophobicContact CG-CG2 3.93Å; M167-I231 HydrophobicContact SD-CG2 3.74Å; M167-G232 PolarHBondContact N-O 2.89Å
168	T	84.3	Confident	85.1	Confident	17 Å²	17	31.7 Å²	31.7	10%	0.104	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-78.5	155.2	172	76.3	0	0	0	0	111.5	G170 S175 A176 L178 T394	T168-G170 PolarHBondContact O-N 3.27Å; T168-S175 VanDerWaalsContact O-CB 3.32Å; T168-S175 WeakPolarHBondContact O-CB 3.13Å; T168-S175 PolarHBondContact O-OG 2.85Å; T168-S175 VanDerWaalsContact O-OG 3.06Å; T168-A176 HydrophobicContact CG2-CB 3.81Å; T168-A176 PolarHBondContact N-O 2.75Å; T168-A176 PolarHBondContact OG1-N 2.91Å; T168-L178 HydrophobicContact CG2-CD1 3.85Å; T168-L178 HydrophobicContact CG2-CG 4.11Å; T168-T394 HydrophobicContact CG2-CG2 3.98Å
169	S	75.1	Confident	85.1	Confident	17 Å²	17	31.6 Å²	31.6	12%	0.119	19%	0.189	C	C	.	.			trans	-67.7	-15.1	-176.8	62.8	0	0	0	0	114.6	T171 T604 T608	S169-T171 PolarHBondContact O-N 3.08Å; S169-T604 PolarHBondContact O-OG1 3.44Å; S169-T608 WeakPolarHBondContact CB-O 3.47Å
170	G	70.7	Confident	85	Confident	9 Å²	9	29.7 Å²	29.7	9%	0.093	17%	0.173	C	C	.	.			trans	69	26.1	176.9	0	0	0	0	0	115	T168 S172 G173 H612	T168-G170 PolarHBondContact O-N 3.27Å; G170-S172 VanDerWaalsContact C-N 3.27Å; G170-S172 PolarHBondContact O-N 2.65Å; G170-G173 CarbonylContact C-O 3.6Å; G170-G173 VanDerWaalsContact C-O 3.3Å; G170-G173 VanDerWaalsContact CA-O 3.28Å; G170-G173 WeakPolarHBondContact CA-O 3.34Å; G170-G173 PolarHBondContact O-N 3.13Å; G170-H612 PolarHBondContact O-CE1 2.9Å
171	T	65.6	Low	85	Confident	12 Å²	12	26.7 Å²	26.7	7%	0.074	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-38.1	-178.8	49.1	0	0	0	0	112.1	S169 Q486 K610	S169-T171 PolarHBondContact O-N 3.08Å; T171-Q486 VanDerWaalsContact C-NE2 3.3Å; T171-Q486 PolarHBondContact O-NE2 2.9Å; T171-K610 HydrophobicContact CG2-CB 3.87Å; T171-K610 HydrophobicContact CG2-CD 4.15Å
172	S	62.3	Low	84.9	Confident	47 Å²	47	27.6 Å²	27.6	33%	0.329	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	11.7	-177.6	-59.8	0	0	0	0	115.1	G170 R483	G170-S172 VanDerWaalsContact C-N 3.27Å; G170-S172 PolarHBondContact O-N 2.65Å; S172-R483 WeakPolarHBondContact OG-CD 3.33Å; S172-R483 WeakPolarHBondContact OG-CG 3.19Å
173	G	68.1	Low	84.7	Confident	24 Å²	24	29.4 Å²	29.4	25%	0.247	17%	0.172	C	C	.	.	S	Bend	trans	152.9	-158.8	-176.8	0	0	0	0	0	113	G170	G170-G173 CarbonylContact C-O 3.6Å; G170-G173 VanDerWaalsContact C-O 3.3Å; G170-G173 VanDerWaalsContact CA-O 3.28Å; G170-G173 WeakPolarHBondContact CA-O 3.34Å; G170-G173 PolarHBondContact O-N 3.13Å
174	P	71.6	Confident	84.6	Confident	109 Å²	109	25.9 Å²	25.9	71%	0.708	15%	0.154	S	C	*	.	S	Bend	trans	-57.1	142.8	173.2	-22.2	33.6	0	0	0	111.8	A176	P174-A176 PolarHBondContact O-N 3.2Å
175	S	79.1	Confident	84.4	Confident	32 Å²	32	28.5 Å²	28.5	22%	0.224	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-59.4	135	172.8	-63.3	0	0	0	0	110.6	T168	T168-S175 VanDerWaalsContact O-CB 3.32Å; T168-S175 WeakPolarHBondContact O-CB 3.13Å; T168-S175 PolarHBondContact O-OG 2.85Å; T168-S175 VanDerWaalsContact O-OG 3.06Å
176	A	86.8	Confident	84.3	Confident	7 Å²	7	31.1 Å²	31.1	6%	0.058	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-98.5	152.6	175.4	0	0	0	0	0	110.1	Y139 M167 T168 P174	Y139-A176 HydrophobicContact CD1-CB 3.76Å; Y139-A176 HydrophobicContact CD2-CB 3.6Å; Y139-A176 HydrophobicContact CE1-CB 3.71Å; Y139-A176 HydrophobicContact CE2-CB 3.56Å; Y139-A176 HydrophobicContact CG-CB 3.7Å; M167-A176 CarbonylContact C-O 3.5Å; M167-A176 WeakPolarHBondContact CA-O 3.24Å; T168-A176 HydrophobicContact CG2-CB 3.81Å; T168-A176 PolarHBondContact N-O 2.75Å; T168-A176 PolarHBondContact OG1-N 2.91Å; P174-A176 PolarHBondContact O-N 3.2Å
177	M	92.3	Very high	84.4	Confident	39 Å²	39	32.7 Å²	32.7	19%	0.192	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	122.4	175.1	-173.2	-177.4	-57.7	0	0	108.2	Y139 I146 L165 A166 M167 I231	Y139-M177 VanDerWaalsContact CE2-O 3.26Å; Y139-M177 WeakPolarHBondContact CE2-O 3.38Å; Y139-M177 PolarHBondContact OH-N 3.11Å; I146-M177 WeakPolarHBondContact CD1-O 3.47Å; I146-M177 HydrophobicContact CG2-CB 4.25Å; I146-M177 HydrophobicContact CG2-CG 4.03Å; I146-M177 HydrophobicContact CG2-SD 4.06Å; L165-M177 HydrophobicContact CB-CG 3.7Å; L165-M177 HydrophobicContact CB-SD 3.7Å; L165-M177 HydrophobicContact CD1-SD 3.61Å; L165-M177 HydrophobicContact CG-SD 4.16Å; A166-M177 CarbonylContact O-C 3.45Å; A166-M177 WeakPolarHBondContact O-CA 3.44Å; M167-M177 HydrophobicContact SD-CB 3.99Å; M167-M177 HydrophobicContact SD-CE 3.99Å; M167-M177 HydrophobicContact SD-CG 4.05Å; M177-I231 HydrophobicContact CE-CD1 4.17Å; M177-I231 HydrophobicContact CE-CG2 4.03Å
178	L	93.9	Very high	84.5	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	153.2	-177.4	-59.4	-179.7	0	0	0	110.5	Y139 L165 A166 T168 T394 E395 L457	Y139-L178 HydrophobicContact CD2-CD2 4.01Å; Y139-L178 HydrophobicContact CE2-CD2 4.15Å; L165-L178 CarbonylContact C-O 3.54Å; L165-L178 WeakPolarHBondContact CA-O 3.21Å; A166-L178 PolarHBondContact N-O 3.09Å; A166-L178 PolarHBondContact O-N 2.76Å; T168-L178 HydrophobicContact CG2-CD1 3.85Å; T168-L178 HydrophobicContact CG2-CG 4.11Å; L178-T394 HydrophobicContact CB-CG2 4.41Å; L178-T394 HydrophobicContact CD1-CG2 3.97Å; L178-T394 HydrophobicContact CG-CG2 4.49Å; L178-E395 HydrophobicContact CD1-CG 3.78Å; L178-L457 HydrophobicContact CD1-CD1 4.43Å; L178-L457 HydrophobicContact CD2-CD1 4.41Å; L178-L457 HydrophobicContact CD2-CD2 4.24Å
179	L	95.7	Very high	84.8	Confident	3 Å²	3	38.8 Å²	38.8	2%	0.016	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	142.5	174	-50.1	-176.4	0	0	0	109.8	I146 V149 I157 I158 P162 L165 S455	I146-L179 HydrophobicContact CG1-CD2 4.28Å; I146-L179 HydrophobicContact CG1-CG 4.35Å; I146-L179 HydrophobicContact CG2-CD2 4.2Å; V149-L179 HydrophobicContact CB-CD2 4.44Å; V149-L179 HydrophobicContact CG1-CD2 4Å; I157-L179 HydrophobicContact CB-CD1 4.36Å; I157-L179 HydrophobicContact CD1-CD1 4.14Å; I158-L179 HydrophobicContact CD1-CB 4.35Å; I158-L179 HydrophobicContact CD1-CD1 3.79Å; I158-L179 HydrophobicContact CG1-CD1 3.79Å; I158-L179 HydrophobicContact CG2-CD1 4.29Å; P162-L179 HydrophobicContact CB-CB 4.3Å; P162-L179 HydrophobicContact CB-CD2 4.38Å; P162-L179 HydrophobicContact CG-CD2 4.29Å; L165-L179 HydrophobicContact CD2-CD2 3.44Å; L165-L179 VanDerWaalsContact CD2-CD2 3.44Å; L179-S455 WeakPolarHBondContact O-CB 3.33Å; L179-S455 PolarHBondContact O-OG 3.47Å
180	S	94.3	Very high	85.7	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	134.8	168.7	-178.7	0	0	0	0	109.1	P162 L163 I164 T184 N234	P162-S180 CarbonylContact C-O 3.56Å; P162-S180 WeakPolarHBondContact CA-O 3.45Å; L163-S180 PolarHBondContact N-O 2.97Å; I164-S180 VanDerWaalsContact CG2-CB 3.48Å; I164-S180 PolarHBondContact O-N 3.5Å; S180-T184 PolarHBondContact OG-OG1 2.91Å; S180-N234 PolarHBondContact OG-ND2 2.83Å; S180-N234 PolarHBondContact OG-OD1 2.92Å
181	T	93.8	Very high	86.8	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.224	C	C	.	.			trans	-118.2	173.6	-172.3	64.6	0	0	0	0	111.7	I158 E160 D183 T184 N185 A454	I158-T181 HydrophobicContact CD1-CG2 3.67Å; E160-T181 HydrophobicContact CG-CG2 4.42Å; E160-T181 WeakPolarHBondContact OE1-CB 3.22Å; T181-D183 PolarHBondContact O-N 2.97Å; T181-T184 PolarHBondContact N-OG1 3.48Å; T181-T184 PolarHBondContact O-N 3.31Å; T181-T184 PolarHBondContact O-OG1 3.12Å; T181-T184 PolarHBondContact OG1-N 3.26Å; T181-N185 PolarHBondContact O-N 3.44Å; T181-A454 WeakPolarHBondContact CG2-O 3.26Å; T181-A454 PolarHBondContact OG1-O 3.43Å
182	K	92	Very high	88.1	Confident	137 Å²	137	40.1 Å²	40.1	60%	0.596	22%	0.22	S	C	*	.	H	α-helix	trans	-63.6	-36.6	173.8	-174.3	-179.6	176.8	-175.1	0	111.5	L163 N185 T186	L163-K182 HydrophobicContact CD1-CB 4.32Å; K182-N185 PolarHBondContact O-N 2.8Å; K182-T186 WeakPolarHBondContact O-CB 3.41Å; K182-T186 PolarHBondContact O-N 3.09Å; K182-T186 PolarHBondContact O-OG1 2.86Å
183	D	91.7	Very high	89.5	Confident	46 Å²	46	40.1 Å²	40.1	25%	0.246	22%	0.218	C	C	.	.	H	α-helix	trans	-65.7	-43.9	179.5	-73.3	-11.6	0	0	0	110.8	K109 T181 N185 T186 D187 A454	K109-D183 IonicContact NZ-OD2 2.72Å; K109-D183 PolarHBondContact NZ-OD2 3.03Å; T181-D183 PolarHBondContact O-N 2.97Å; D183-N185 VanDerWaalsContact C-N 3.34Å; D183-N185 PolarHBondContact O-N 3.34Å; D183-T186 PolarHBondContact O-N 2.86Å; D183-D187 WeakPolarHBondContact O-CB 3.19Å; D183-D187 PolarHBondContact O-N 2.84Å; D183-A454 HydrophobicContact CB-CB 3.7Å
184	T	91.1	Very high	90.7	Very high	12 Å²	12	39 Å²	39	7%	0.074	21%	0.206	C	C	.	.	H	α-helix	trans	-60.1	-42.7	176.7	51.8	0	0	0	0	112.7	S180 T181 F188 A454 S455	S180-T184 PolarHBondContact OG-OG1 2.91Å; T181-T184 PolarHBondContact N-OG1 3.48Å; T181-T184 PolarHBondContact O-N 3.31Å; T181-T184 PolarHBondContact O-OG1 3.12Å; T181-T184 PolarHBondContact OG1-N 3.26Å; T184-F188 WeakPolarHBondContact O-CB 3.18Å; T184-F188 PolarHBondContact O-N 3.46Å; T184-A454 HydrophobicContact CG2-CB 3.86Å; T184-S455 WeakPolarHBondContact CG2-OG 3.31Å
185	N	89.8	Confident	91.8	Very high	72 Å²	72	33.8 Å²	33.8	39%	0.385	17%	0.173	S	C	.	.	H	α-helix	trans	-68.1	-38.5	177.5	-74.3	2	0	0	0	112.1	T181 K182 D183 F189	T181-N185 PolarHBondContact O-N 3.44Å; K182-N185 PolarHBondContact O-N 2.8Å; D183-N185 VanDerWaalsContact C-N 3.34Å; D183-N185 PolarHBondContact O-N 3.34Å; N185-F189 PolarHBondContact O-N 3.37Å; N185-F189 VanDerWaalsContact O-N 3.08Å
186	T	91.6	Very high	92.5	Very high	56 Å²	56	32.4 Å²	32.4	34%	0.344	16%	0.163	S	C	.	.	H	α-helix	trans	-67	-44.6	178.9	-59.1	0	0	0	0	110.9	K182 D183 F189 L190	K182-T186 WeakPolarHBondContact O-CB 3.41Å; K182-T186 PolarHBondContact O-N 3.09Å; K182-T186 PolarHBondContact O-OG1 2.86Å; D183-T186 PolarHBondContact O-N 2.86Å; T186-F189 PolarHBondContact O-N 2.93Å; T186-L190 HydrophobicContact CG2-CD1 3.65Å; T186-L190 HydrophobicContact CG2-CG 4.21Å; T186-L190 WeakPolarHBondContact O-CB 3.47Å; T186-L190 WeakPolarHBondContact O-CG 3.36Å; T186-L190 PolarHBondContact O-N 2.85Å
187	D	92.5	Very high	92.8	Very high	32 Å²	32	34 Å²	34	17%	0.171	17%	0.171	C	C	.	.	H	α-helix	trans	-65.1	-43.9	177.6	-73.7	-24.9	0	0	0	111.1	D183 F189 Q191 G192	D183-D187 WeakPolarHBondContact O-CB 3.19Å; D183-D187 PolarHBondContact O-N 2.84Å; D187-F189 VanDerWaalsContact C-N 3.33Å; D187-F189 PolarHBondContact O-N 2.8Å; D187-Q191 VanDerWaalsContact CG-NE2 3.3Å; D187-Q191 WeakPolarHBondContact O-CA 3.47Å; D187-Q191 VanDerWaalsContact O-CB 3.26Å; D187-Q191 WeakPolarHBondContact O-CB 3.36Å; D187-Q191 PolarHBondContact O-N 2.84Å; D187-Q191 PolarHBondContact OD1-NE2 2.85Å; D187-G192 PolarHBondContact O-N 2.85Å
188	F	91.9	Very high	92.8	Very high	66 Å²	66	33.1 Å²	33.1	29%	0.289	17%	0.166	S	C	.	.	I	π-helix	trans	-58.1	-44.4	175.7	-164.9	-77.6	0	0	0	112.1	T184 G192 V193 F390 A392 L397	T184-F188 WeakPolarHBondContact O-CB 3.18Å; T184-F188 PolarHBondContact O-N 3.46Å; F188-G192 CarbonylContact O-C 3.56Å; F188-G192 WeakPolarHBondContact O-CA 3.36Å; F188-G192 PolarHBondContact O-N 2.69Å; F188-G192 VanDerWaalsContact O-N 3.08Å; F188-V193 HydrophobicContact CD1-CG2 4.05Å; F188-V193 HydrophobicContact CE1-CG2 4.01Å; F188-V193 PolarHBondContact O-N 2.79Å; F188-F390 HydrophobicContact CE1-CD2 4.37Å; F188-F390 HydrophobicContact CE1-CE2 4.35Å; F188-F390 HydrophobicContact CZ-CD2 4.01Å; F188-F390 HydrophobicContact CZ-CE2 4.44Å; F188-F390 HydrophobicContact CZ-CG 4.29Å; F188-A392 HydrophobicContact CE2-CB 3.69Å; F188-A392 HydrophobicContact CZ-CB 4.48Å; F188-L397 HydrophobicContact CB-CB 4.44Å; F188-L397 HydrophobicContact CD2-CB 3.77Å; F188-L397 HydrophobicContact CE2-CB 4.42Å; F188-L397 HydrophobicContact CG-CB 4.39Å
189	F	91.7	Very high	92.8	Very high	94 Å²	94	33.5 Å²	33.5	41%	0.412	17%	0.169	S	C	.	.	I	π-helix	trans	-70.5	-53.9	179.3	-179.1	-103.7	0	0	0	112.2	L80 N185 T186 D187 V193 T194	L80-F189 HydrophobicContact CD2-CE1 4.16Å; N185-F189 PolarHBondContact O-N 3.37Å; N185-F189 VanDerWaalsContact O-N 3.08Å; T186-F189 PolarHBondContact O-N 2.93Å; D187-F189 VanDerWaalsContact C-N 3.33Å; D187-F189 PolarHBondContact O-N 2.8Å; F189-V193 HydrophobicContact CD2-CB 4.11Å; F189-V193 HydrophobicContact CD2-CG1 4.29Å; F189-V193 HydrophobicContact CD2-CG2 4.43Å; F189-V193 HydrophobicContact CE2-CG1 4.3Å; F189-V193 WeakPolarHBondContact O-CB 3.06Å; F189-V193 PolarHBondContact O-N 3.39Å; F189-T194 HydrophobicContact CD1-CG2 4.32Å; F189-T194 HydrophobicContact CE1-CG2 3.95Å; F189-T194 HydrophobicContact CZ-CG2 4.07Å; F189-T194 WeakPolarHBondContact O-CG2 3.47Å; F189-T194 PolarHBondContact O-N 2.83Å
190	L	92.6	Very high	92.6	Very high	46 Å²	46	34.1 Å²	34.1	24%	0.241	17%	0.172	C	C	.	.	I	π-helix	trans	-71.4	-50	-173.7	-66.7	-178.9	0	0	0	112	L80 Q84 T186 T194	L80-L190 HydrophobicContact CD1-CD2 4.26Å; L80-L190 HydrophobicContact CD2-CD2 3.73Å; L80-L190 HydrophobicContact CG-CD2 4.23Å; Q84-L190 HydrophobicContact CG-CB 4.43Å; Q84-L190 WeakPolarHBondContact CG-O 3.33Å; T186-L190 HydrophobicContact CG2-CD1 3.65Å; T186-L190 HydrophobicContact CG2-CG 4.21Å; T186-L190 WeakPolarHBondContact O-CB 3.47Å; T186-L190 WeakPolarHBondContact O-CG 3.36Å; T186-L190 PolarHBondContact O-N 2.85Å; L190-T194 PolarHBondContact O-OG1 3.13Å
191	Q	93.7	Very high	92.4	Very high	20 Å²	20	36 Å²	36	9%	0.093	18%	0.179	C	C	.	.	I	π-helix	trans	-85.4	-27.2	-175.4	-53.4	-176	46.8	0	0	112.2	D187 V195 L397 V400 R416	D187-Q191 VanDerWaalsContact CG-NE2 3.3Å; D187-Q191 WeakPolarHBondContact O-CA 3.47Å; D187-Q191 VanDerWaalsContact O-CB 3.26Å; D187-Q191 WeakPolarHBondContact O-CB 3.36Å; D187-Q191 PolarHBondContact O-N 2.84Å; D187-Q191 PolarHBondContact OD1-NE2 2.85Å; Q191-V195 WeakPolarHBondContact O-CB 3.46Å; Q191-V195 VanDerWaalsContact O-CG2 3.24Å; Q191-V195 WeakPolarHBondContact O-CG2 3.48Å; Q191-L397 HydrophobicContact CB-CD2 3.87Å; Q191-V400 WeakPolarHBondContact O-CG1 3.37Å; Q191-R416 PolarHBondContact NE2-O 2.88Å
192	G	93.9	Very high	92.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.208	C	C	.	.	I	π-helix	trans	-91.7	-82	177	0	0	0	0	0	111.8	D187 F188 T194 V195 C196 F390 L397	D187-G192 PolarHBondContact O-N 2.85Å; F188-G192 CarbonylContact O-C 3.56Å; F188-G192 WeakPolarHBondContact O-CA 3.36Å; F188-G192 PolarHBondContact O-N 2.69Å; F188-G192 VanDerWaalsContact O-N 3.08Å; G192-T194 PolarHBondContact O-N 2.84Å; G192-V195 PolarHBondContact O-N 3.08Å; G192-C196 PolarHBondContact O-N 3.47Å; G192-F390 VanDerWaalsContact C-CE1 3.44Å; G192-L397 VanDerWaalsContact N-CD2 3.28Å
193	V	91.9	Very high	92.4	Very high	47 Å²	47	36.5 Å²	36.5	29%	0.285	19%	0.186	S	C	.	.	I	π-helix	trans	-54	-48.9	-168.7	177.4	0	0	0	0	112.5	F188 F189 V195 L197 F390	F188-V193 HydrophobicContact CD1-CG2 4.05Å; F188-V193 HydrophobicContact CE1-CG2 4.01Å; F188-V193 PolarHBondContact O-N 2.79Å; F189-V193 HydrophobicContact CD2-CB 4.11Å; F189-V193 HydrophobicContact CD2-CG1 4.29Å; F189-V193 HydrophobicContact CD2-CG2 4.43Å; F189-V193 HydrophobicContact CE2-CG1 4.3Å; F189-V193 WeakPolarHBondContact O-CB 3.06Å; F189-V193 PolarHBondContact O-N 3.39Å; V193-V195 PolarHBondContact O-N 2.88Å; V193-L197 VanDerWaalsContact O-CB 3.24Å; V193-L197 WeakPolarHBondContact O-CB 3.28Å; V193-L197 PolarHBondContact O-N 3.44Å; V193-F390 HydrophobicContact CB-CZ 4.38Å; V193-F390 HydrophobicContact CG2-CE1 4.48Å; V193-F390 HydrophobicContact CG2-CZ 3.89Å
194	T	92.7	Very high	92.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-71.4	-32.8	-175.7	77.5	0	0	0	0	113.4	V77 L80 G81 Q84 F189 L190 G192 E198	V77-T194 HydrophobicContact CG1-CG2 4.03Å; L80-T194 HydrophobicContact CD2-CG2 3.97Å; L80-T194 HydrophobicContact CG-CG2 4.1Å; G81-T194 WeakPolarHBondContact CA-O 3.26Å; Q84-T194 WeakPolarHBondContact CG-OG1 3.2Å; F189-T194 HydrophobicContact CD1-CG2 4.32Å; F189-T194 HydrophobicContact CE1-CG2 3.95Å; F189-T194 HydrophobicContact CZ-CG2 4.07Å; F189-T194 WeakPolarHBondContact O-CG2 3.47Å; F189-T194 PolarHBondContact O-N 2.83Å; L190-T194 PolarHBondContact O-OG1 3.13Å; G192-T194 PolarHBondContact O-N 2.84Å; T194-E198 PolarHBondContact O-N 2.8Å
195	V	95.1	Very high	92.4	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.006	20%	0.204	C	C	.	.	H	α-helix	trans	-70.6	-49.2	177.7	174.6	0	0	0	0	110.5	Q84 L88 Q191 G192 V193 L197 E198 A199 V400 L402	Q84-V195 HydrophobicContact CB-CG2 3.73Å; L88-V195 HydrophobicContact CD2-CG1 3.92Å; Q191-V195 WeakPolarHBondContact O-CB 3.46Å; Q191-V195 VanDerWaalsContact O-CG2 3.24Å; Q191-V195 WeakPolarHBondContact O-CG2 3.48Å; G192-V195 PolarHBondContact O-N 3.08Å; V193-V195 PolarHBondContact O-N 2.88Å; V195-L197 VanDerWaalsContact C-N 3.3Å; V195-L197 PolarHBondContact O-N 2.86Å; V195-E198 PolarHBondContact O-N 3.15Å; V195-A199 PolarHBondContact O-N 3.46Å; V195-V400 HydrophobicContact CG1-CG2 4.27Å; V195-L402 HydrophobicContact CG1-CD2 3.67Å
196	C	94.5	Very high	92.2	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.02	22%	0.218	C	C	.	.	H	α-helix	trans	-65.6	-33.1	178.3	-67.5	0	0	0	0	112.3	G192 E198 A199 M200 Y387 P389 F390 V400	G192-C196 PolarHBondContact O-N 3.47Å; C196-E198 VanDerWaalsContact C-N 3.3Å; C196-E198 PolarHBondContact O-N 3.21Å; C196-A199 PolarHBondContact O-N 3.04Å; C196-M200 WeakPolarHBondContact O-CB 3.34Å; C196-M200 PolarHBondContact O-N 2.93Å; C196-Y387 WeakPolarHBondContact CB-OH 3.13Å; C196-P389 HydrophobicContact CB-CB 3.78Å; C196-P389 PolarHBondContact SG-O 2.91Å; C196-F390 HydrophobicContact CB-CD1 4.41Å; C196-F390 HydrophobicContact CB-CE1 3.68Å; C196-F390 HydrophobicContact CB-CZ 4.33Å; C196-F390 VanDerWaalsContact SG-CE1 3.51Å; C196-V400 VanDerWaalsContact SG-CB 3.58Å; C196-V400 VanDerWaalsContact SG-CG1 3.6Å
197	L	91.4	Very high	91.9	Very high	41 Å²	41	40.8 Å²	40.8	22%	0.215	21%	0.207	C	C	.	.	H	α-helix	trans	-63.9	-37.4	174.9	-172.4	69.8	0	0	0	111.9	V77 V193 V195 M200 R201	V77-L197 HydrophobicContact CB-CD2 4.11Å; V77-L197 HydrophobicContact CG1-CD2 3.41Å; V77-L197 VanDerWaalsContact CG1-CD2 3.41Å; V193-L197 VanDerWaalsContact O-CB 3.24Å; V193-L197 WeakPolarHBondContact O-CB 3.28Å; V193-L197 PolarHBondContact O-N 3.44Å; V195-L197 VanDerWaalsContact C-N 3.3Å; V195-L197 PolarHBondContact O-N 2.86Å; L197-M200 HydrophobicContact CD1-CE 3.53Å; L197-R201 VanDerWaalsContact O-CG 3.28Å; L197-R201 WeakPolarHBondContact O-CG 3.49Å; L197-R201 PolarHBondContact O-N 3.42Å; L197-R201 VanDerWaalsContact O-N 3.1Å
198	E	92.2	Very high	91.5	Very high	19 Å²	19	42.4 Å²	42.4	9%	0.089	22%	0.216	C	C	.	.	H	α-helix	trans	-67.7	-46.2	174	-179.7	61.9	-167	0	0	111.1	R82 T194 V195 C196 M200 R201 Q202	R82-E198 VanDerWaalsContact CG-CD 3.42Å; R82-E198 HydrophobicContact CG-CG 4.1Å; R82-E198 WeakPolarHBondContact CG-OE1 3.48Å; R82-E198 IonicContact NH1-OE2 2.85Å; T194-E198 PolarHBondContact O-N 2.8Å; V195-E198 PolarHBondContact O-N 3.15Å; C196-E198 VanDerWaalsContact C-N 3.3Å; C196-E198 PolarHBondContact O-N 3.21Å; E198-M200 VanDerWaalsContact C-N 3.34Å; E198-M200 PolarHBondContact O-N 2.7Å; E198-R201 PolarHBondContact O-N 3.12Å; E198-Q202 WeakPolarHBondContact O-CG 3.44Å; E198-Q202 PolarHBondContact O-N 2.68Å; E198-Q202 VanDerWaalsContact O-N 3.12Å; E198-Q202 PolarHBondContact OE1-NE2 2.98Å
199	A	93.8	Very high	91.3	Very high	8 Å²	8	40 Å²	40	7%	0.066	21%	0.208	C	C	.	.	H	α-helix	trans	-58.9	-44.9	176	0	0	0	0	0	111.9	V195 C196 R201 Q202 A203 L402 P404	V195-A199 PolarHBondContact O-N 3.46Å; C196-A199 PolarHBondContact O-N 3.04Å; A199-R201 PolarHBondContact O-N 2.94Å; A199-Q202 PolarHBondContact O-N 3.19Å; A199-A203 WeakPolarHBondContact O-CB 3.37Å; A199-A203 PolarHBondContact O-N 3.18Å; A199-L402 HydrophobicContact CB-CD2 4.36Å; A199-P404 HydrophobicContact CB-CG 4.29Å
200	M	93.4	Very high	91.1	Very high	17 Å²	17	35.6 Å²	35.6	8%	0.084	19%	0.188	C	C	.	.	H	α-helix	trans	-58.7	-44.9	176.7	-174.3	-171.6	84.3	0	0	112.1	C196 L197 E198 Q202 A203 F204 L360 L362 Y387	C196-M200 WeakPolarHBondContact O-CB 3.34Å; C196-M200 PolarHBondContact O-N 2.93Å; L197-M200 HydrophobicContact CD1-CE 3.53Å; E198-M200 VanDerWaalsContact C-N 3.34Å; E198-M200 PolarHBondContact O-N 2.7Å; M200-Q202 VanDerWaalsContact C-N 3.33Å; M200-Q202 PolarHBondContact O-N 3.28Å; M200-A203 PolarHBondContact O-N 3.3Å; M200-F204 HydrophobicContact CG-CD2 4.04Å; M200-F204 WeakPolarHBondContact O-CB 3.25Å; M200-F204 PolarHBondContact O-N 3.33Å; M200-L360 HydrophobicContact CG-CD2 3.69Å; M200-L360 HydrophobicContact SD-CD2 3.55Å; M200-L360 VanDerWaalsContact SD-CD2 3.55Å; M200-L362 HydrophobicContact SD-CD1 4.16Å; M200-L362 HydrophobicContact SD-CD2 4.01Å; M200-Y387 HydrophobicContact CB-CD1 4.22Å; M200-Y387 HydrophobicContact CB-CE1 3.85Å; M200-Y387 HydrophobicContact CG-CD1 4.08Å; M200-Y387 HydrophobicContact CG-CE1 4.22Å
201	R	89.6	Confident	91.1	Very high	39 Å²	39	34 Å²	34	15%	0.147	18%	0.179	C	C	.	.	H	α-helix	trans	-68.5	-33	-179.3	-75.9	175.3	-174.7	174.8	5.1	113	V74 G78 L197 E198 A199	V74-R201 VanDerWaalsContact CG1-NH2 3.34Å; V74-R201 PolarHBondContact O-NH1 3.18Å; V74-R201 PolarHBondContact O-NH2 3.16Å; G78-R201 VanDerWaalsContact CA-NH1 3.26Å; L197-R201 VanDerWaalsContact O-CG 3.28Å; L197-R201 WeakPolarHBondContact O-CG 3.49Å; L197-R201 PolarHBondContact O-N 3.42Å; L197-R201 VanDerWaalsContact O-N 3.1Å; E198-R201 PolarHBondContact O-N 3.12Å; A199-R201 PolarHBondContact O-N 2.94Å
202	Q	91.7	Very high	91	Very high	131 Å²	131	35.8 Å²	35.8	61%	0.612	19%	0.185	S	C	*	.	H	α-helix	trans	-70.3	-43.7	174.7	-68.9	179.9	9.6	0	0	110.9	E198 A199 M200	E198-Q202 WeakPolarHBondContact O-CG 3.44Å; E198-Q202 PolarHBondContact O-N 2.68Å; E198-Q202 VanDerWaalsContact O-N 3.12Å; E198-Q202 PolarHBondContact OE1-NE2 2.98Å; A199-Q202 PolarHBondContact O-N 3.19Å; M200-Q202 VanDerWaalsContact C-N 3.33Å; M200-Q202 PolarHBondContact O-N 3.28Å
203	A	93.5	Very high	90.9	Very high	16 Å²	16	37.1 Å²	37.1	13%	0.132	19%	0.193	C	C	.	.	H	α-helix	trans	-72.7	-33.5	180	0	0	0	0	0	113.9	A199 M200 P404 Q405	A199-A203 WeakPolarHBondContact O-CB 3.37Å; A199-A203 PolarHBondContact O-N 3.18Å; M200-A203 PolarHBondContact O-N 3.3Å; A203-P404 HydrophobicContact CB-CB 3.68Å; A203-P404 HydrophobicContact CB-CG 3.59Å; A203-Q405 HydrophobicContact CB-CG 4.08Å; A203-Q405 PolarHBondContact O-NE2 2.84Å
204	F	92.7	Very high	91.1	Very high	23 Å²	23	34.9 Å²	34.9	10%	0.101	18%	0.18	C	C	.	.			trans	-129.6	81.7	-177.1	-51.5	-66	0	0	0	109.7	M200 E206 S207 L360 P385 Y387 P404 Q405	M200-F204 HydrophobicContact CG-CD2 4.04Å; M200-F204 WeakPolarHBondContact O-CB 3.25Å; M200-F204 PolarHBondContact O-N 3.33Å; F204-E206 PolarHBondContact O-N 3.47Å; F204-E206 VanDerWaalsContact O-N 3.12Å; F204-S207 VanDerWaalsContact O-CB 3.27Å; F204-S207 WeakPolarHBondContact O-CB 3.35Å; F204-S207 PolarHBondContact O-N 3.37Å; F204-S207 PolarHBondContact O-OG 3.24Å; F204-L360 HydrophobicContact CD2-CD1 3.92Å; F204-L360 HydrophobicContact CD2-CD2 4.1Å; F204-L360 HydrophobicContact CE2-CD1 3.7Å; F204-L360 HydrophobicContact CE2-CD2 4.45Å; F204-L360 HydrophobicContact CG-CD1 4.43Å; F204-L360 HydrophobicContact CZ-CD1 4.05Å; F204-P385 HydrophobicContact CD1-CB 4.39Å; F204-P385 HydrophobicContact CD1-CG 4.5Å; F204-P385 HydrophobicContact CE1-CB 3.73Å; F204-P385 HydrophobicContact CE1-CG 4.16Å; F204-P385 HydrophobicContact CZ-CB 4.09Å; F204-Y387 HydrophobicContact CE2-CG 4.43Å; F204-P404 HydrophobicContact CD2-CB 4.33Å; F204-P404 HydrophobicContact CE2-CB 3.43Å; F204-P404 VanDerWaalsContact CE2-CB 3.43Å; F204-P404 HydrophobicContact CZ-CB 3.89Å; F204-Q405 HydrophobicContact CE1-CG 4.06Å; F204-Q405 HydrophobicContact CZ-CG 4.25Å
205	P	89.3	Confident	91.2	Very high	92 Å²	92	35.6 Å²	35.6	60%	0.597	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	-57.7	-29.1	-177.2	-27.3	36.1	0	0	0	114	S207 N208	P205-S207 PolarHBondContact O-N 2.98Å; P205-N208 WeakPolarHBondContact O-CB 3.45Å; P205-N208 PolarHBondContact O-N 3.08Å
206	E	87	Confident	91.1	Very high	145 Å²	145	35.7 Å²	35.7	68%	0.678	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	-62.1	-25.4	175.2	-61.4	-173.6	161.4	0	0	113	F204 N208 N359	F204-E206 PolarHBondContact O-N 3.47Å; F204-E206 VanDerWaalsContact O-N 3.12Å; E206-N208 PolarHBondContact O-N 2.84Å; E206-N359 HydrophobicContact CB-CB 4.01Å
207	S	84.8	Confident	90.9	Very high	16 Å²	16	35.8 Å²	35.8	11%	0.112	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-70.1	-11.1	174.5	75.2	0	0	0	0	113.3	F204 P205 S209	F204-S207 VanDerWaalsContact O-CB 3.27Å; F204-S207 WeakPolarHBondContact O-CB 3.35Å; F204-S207 PolarHBondContact O-N 3.37Å; F204-S207 PolarHBondContact O-OG 3.24Å; P205-S207 PolarHBondContact O-N 2.98Å; S207-S209 PolarHBondContact O-N 2.83Å
208	N	85.3	Confident	90.8	Very high	67 Å²	67	34.9 Å²	34.9	36%	0.358	18%	0.177	S	C	.	.	S	Bend	trans	-79.3	53.4	172.4	-174	20.1	0	0	0	111.5	K56 P205 E206	K56-N208 PolarHBondContact NZ-ND2 3.39Å; K56-N208 PolarHBondContact NZ-O 2.85Å; K56-N208 PolarHBondContact NZ-OD1 2.99Å; P205-N208 WeakPolarHBondContact O-CB 3.45Å; P205-N208 PolarHBondContact O-N 3.08Å; E206-N208 PolarHBondContact O-N 2.84Å
209	S	86.9	Confident	90.4	Very high	16 Å²	16	36.5 Å²	36.5	11%	0.112	19%	0.188	C	C	.	.	S	Bend	trans	-115.4	178.5	-177.8	72.4	0	0	0	0	112.2	S207 Q211	S207-S209 PolarHBondContact O-N 2.83Å; S209-Q211 VanDerWaalsContact CB-OE1 3.23Å; S209-Q211 WeakPolarHBondContact OG-CB 3.14Å; S209-Q211 WeakPolarHBondContact OG-CG 3.26Å; S209-Q211 PolarHBondContact OG-N 2.93Å; S209-Q211 PolarHBondContact OG-OE1 3.21Å
210	L	88.3	Confident	89.9	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-109.6	24.9	169.5	-60.6	176.3	0	0	0	110.7	I53 K56 V57 K58 G59 L67 Q70 Y71	I53-L210 HydrophobicContact CG2-CD1 3.94Å; K56-L210 HydrophobicContact CB-CD1 4.27Å; K56-L210 HydrophobicContact CB-CG 4.12Å; K56-L210 HydrophobicContact CD-CD1 4.27Å; K56-L210 HydrophobicContact CD-CD2 4.44Å; K56-L210 HydrophobicContact CD-CG 3.92Å; V57-L210 CarbonylContact O-C 3.6Å; V57-L210 WeakPolarHBondContact O-CA 3.42Å; V57-L210 PolarHBondContact O-N 3.39Å; K58-L210 HydrophobicContact CG-CB 3.99Å; K58-L210 HydrophobicContact CG-CD1 4.22Å; G59-L210 PolarHBondContact N-O 3.47Å; L67-L210 HydrophobicContact CD2-CB 4.1Å; L67-L210 HydrophobicContact CD2-CD1 4.15Å; Q70-L210 HydrophobicContact CB-CD2 4.48Å; Q70-L210 HydrophobicContact CG-CD2 3.85Å; Q70-L210 PolarHBondContact OE1-O 3.33Å; Y71-L210 HydrophobicContact CD2-CD2 4.35Å
211	Q	91.3	Very high	89.2	Confident	12 Å²	12	42.1 Å²	42.1	6%	0.056	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-68.1	166.1	171.5	-65.4	169.9	-87	0	0	110.2	V57 Q70 S209 S276 H357 N359	V57-Q211 HydrophobicContact CB-CG 4.1Å; V57-Q211 HydrophobicContact CG1-CG 3.67Å; V57-Q211 PolarHBondContact O-N 3.2Å; Q70-Q211 PolarHBondContact NE2-O 3.38Å; S209-Q211 VanDerWaalsContact CB-OE1 3.23Å; S209-Q211 WeakPolarHBondContact OG-CB 3.14Å; S209-Q211 WeakPolarHBondContact OG-CG 3.26Å; S209-Q211 PolarHBondContact OG-N 2.93Å; S209-Q211 PolarHBondContact OG-OE1 3.21Å; Q211-S276 WeakPolarHBondContact CB-O 3.42Å; Q211-S276 VanDerWaalsContact CG-O 3.23Å; Q211-S276 WeakPolarHBondContact CG-O 3.34Å; Q211-S276 PolarHBondContact NE2-O 3.48Å; Q211-H357 PolarHBondContact NE2-O 3.26Å; Q211-N359 PolarHBondContact OE1-ND2 3.08Å
212	R	91.3	Very high	89	Confident	58 Å²	58	44.2 Å²	44.2	22%	0.219	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-96.4	154.8	172.3	-72.6	174.2	175.6	158	-6.5	111.2	L247 Y248 T249 D274 G278	R212-L247 VanDerWaalsContact CA-O 3.31Å; R212-L247 WeakPolarHBondContact CA-O 3.43Å; R212-Y248 WeakPolarHBondContact CD-O 3.43Å; R212-T249 HydrophobicContact CB-CG2 3.74Å; R212-D274 WeakPolarHBondContact CD-OD2 3.22Å; R212-D274 IonicContact NH1-OD2 3.03Å; R212-D274 PolarHBondContact NH1-OD2 3.01Å; R212-G278 PolarHBondContact O-N 3.46Å
213	T	93.3	Very high	88.9	Confident	28 Å²	28	44.3 Å²	44.3	17%	0.172	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	133.4	170.9	-60.2	0	0	0	0	109.3	K215 L247 Y248 T249 T279 E281	T213-K215 PolarHBondContact O-N 3.47Å; T213-L247 PolarHBondContact N-O 3.35Å; T213-Y248 HydrophobicContact CG2-CD1 4.24Å; T213-Y248 HydrophobicContact CG2-CE1 4.15Å; T213-Y248 WeakPolarHBondContact O-CA 3.48Å; T213-Y248 WeakPolarHBondContact O-CD1 3.3Å; T213-T249 PolarHBondContact O-N 2.66Å; T213-T279 CarbonylContact C-O 3.55Å; T213-T279 WeakPolarHBondContact CA-O 3.45Å; T213-T279 HydrophobicContact CG2-CG2 4.14Å; T213-E281 HydrophobicContact CG2-CB 3.52Å; T213-E281 WeakPolarHBondContact CG2-OE2 3.47Å
214	T	95.9	Very high	88.9	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	104.1	164.3	-64.1	0	0	0	0	107.7	F216 T249 A271 T279 L280 E281	T214-F216 HydrophobicContact CG2-CE1 3.96Å; T214-F216 HydrophobicContact CG2-CE2 4.29Å; T214-F216 HydrophobicContact CG2-CZ 3.83Å; T214-T249 WeakPolarHBondContact CA-OG1 3.26Å; T214-T249 WeakPolarHBondContact OG1-CG2 3.4Å; T214-T249 PolarHBondContact OG1-OG1 2.89Å; T214-A271 HydrophobicContact CG2-CB 3.65Å; T214-A271 VanDerWaalsContact OG1-CB 3.29Å; T214-A271 WeakPolarHBondContact OG1-CB 3.36Å; T214-T279 PolarHBondContact N-O 3.39Å; T214-L280 HydrophobicContact CG2-CD2 4.29Å; T214-L280 WeakPolarHBondContact O-CA 3.34Å; T214-E281 PolarHBondContact O-N 2.97Å
215	K	94.3	Very high	88.9	Confident	15 Å²	15	48.7 Å²	48.7	7%	0.065	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	117.7	176.8	-176.6	169.3	-177.1	150	0	110.1	T213 F217 P238 Y248 E281	T213-K215 PolarHBondContact O-N 3.47Å; K215-F217 HydrophobicContact CG-CB 4.1Å; K215-F217 PolarHBondContact O-N 3.16Å; K215-P238 HydrophobicContact CD-CG 3.92Å; K215-Y248 HydrophobicContact CB-CD1 3.64Å; K215-Y248 HydrophobicContact CB-CE1 3.59Å; K215-Y248 HydrophobicContact CB-CG 4.49Å; K215-Y248 HydrophobicContact CD-CD1 4.49Å; K215-Y248 HydrophobicContact CD-CE1 3.7Å; K215-Y248 HydrophobicContact CG-CE1 4.29Å; K215-E281 CarbonylContact C-O 3.49Å; K215-E281 VanDerWaalsContact CA-O 3.31Å; K215-E281 WeakPolarHBondContact CA-O 3.47Å; K215-E281 HydrophobicContact CB-CB 4.24Å; K215-E281 HydrophobicContact CD-CG 4.4Å; K215-E281 WeakPolarHBondContact CD-OE1 3.24Å; K215-E281 WeakPolarHBondContact CE-OE1 3.41Å; K215-E281 HydrophobicContact CG-CB 4.27Å; K215-E281 HydrophobicContact CG-CG 4.32Å; K215-E281 IonicContact NZ-OE1 2.7Å; K215-E281 PolarHBondContact NZ-OE1 3.46Å
216	F	93.6	Very high	89.1	Confident	4 Å²	4	52.7 Å²	52.7	2%	0.018	26%	0.259	C	S	.	.			trans	-82.5	103.3	172.6	-57.1	-72.8	0	0	0	108.4	T214 L264 H267 L268 L280 E281 T287 V288 A291	T214-F216 HydrophobicContact CG2-CE1 3.96Å; T214-F216 HydrophobicContact CG2-CE2 4.29Å; T214-F216 HydrophobicContact CG2-CZ 3.83Å; F216-L264 HydrophobicContact CD1-CD1 3.87Å; F216-L264 HydrophobicContact CE1-CD1 4.24Å; F216-H267 HydrophobicContact CD1-CB 4.05Å; F216-H267 HydrophobicContact CE1-CB 4.29Å; F216-L268 HydrophobicContact CE1-CD2 4.01Å; F216-L268 HydrophobicContact CZ-CD2 4.41Å; F216-L280 HydrophobicContact CE2-CB 4.44Å; F216-L280 HydrophobicContact CE2-CD2 4.36Å; F216-E281 PolarHBondContact N-O 3.32Å; F216-T287 HydrophobicContact CB-CG2 3.82Å; F216-V288 HydrophobicContact CD2-CG2 4.16Å; F216-V288 HydrophobicContact CE2-CG1 4.36Å; F216-V288 HydrophobicContact CE2-CG2 4.44Å; F216-A291 HydrophobicContact CD1-CB 3.83Å; F216-A291 HydrophobicContact CD2-CB 4.44Å; F216-A291 HydrophobicContact CE1-CB 3.53Å; F216-A291 HydrophobicContact CE2-CB 4.17Å; F216-A291 HydrophobicContact CG-CB 4.28Å; F216-A291 HydrophobicContact CZ-CB 3.71Å
217	F	90	Very high	89.4	Confident	4 Å²	4	47 Å²	47	2%	0.018	24%	0.237	C	C	.	.			trans	-144.2	126.8	-174.4	179.8	-86.9	0	0	0	111.3	K215 T237 P238 F255 H267	K215-F217 HydrophobicContact CG-CB 4.1Å; K215-F217 PolarHBondContact O-N 3.16Å; F217-T237 HydrophobicContact CE1-CG2 4.12Å; F217-T237 HydrophobicContact CZ-CG2 3.83Å; F217-P238 HydrophobicContact CB-CG 4.44Å; F217-P238 HydrophobicContact CD1-CG 4.26Å; F217-P238 HydrophobicContact CG-CG 4.23Å; F217-F255 HydrophobicContact CB-CE1 4.45Å; F217-F255 HydrophobicContact CD1-CD1 4.3Å; F217-F255 HydrophobicContact CD1-CE1 4.36Å; F217-H267 PolarHBondContact N-NE2 3.16Å; F217-H267 VanDerWaalsContact N-NE2 3.18Å; F217-H267 PolarHBondContact O-NE2 2.95Å
218	Y	88.1	Confident	89.8	Confident	23 Å²	23	48.4 Å²	48.4	9%	0.09	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-100.8	127.9	-179	-50.8	-68.1	0	0	0	110.2	P220 E260 T263 L264 T287 A606 N607	Y218-P220 VanDerWaalsContact O-CD 3.23Å; Y218-P220 WeakPolarHBondContact O-CD 3.36Å; Y218-P220 VanDerWaalsContact O-N 3.13Å; Y218-E260 HydrophobicContact CD1-CB 3.88Å; Y218-E260 HydrophobicContact CD1-CG 4.05Å; Y218-E260 HydrophobicContact CE1-CB 4.17Å; Y218-E260 WeakPolarHBondContact CE1-O 3.24Å; Y218-E260 HydrophobicContact CG-CB 4.34Å; Y218-E260 HydrophobicContact CG-CG 4.05Å; Y218-T263 HydrophobicContact CD1-CG2 4.28Å; Y218-L264 HydrophobicContact CE1-CB 4.12Å; Y218-T287 HydrophobicContact CE2-CG2 3.73Å; Y218-A606 HydrophobicContact CD2-CB 3.6Å; Y218-A606 HydrophobicContact CE2-CB 4.34Å; Y218-A606 HydrophobicContact CG-CB 4.12Å; Y218-N607 PolarHBondContact N-OD1 3Å; Y218-N607 PolarHBondContact O-ND2 3.46Å
219	T	84.4	Confident	90.3	Very high	52 Å²	52	45.4 Å²	45.4	32%	0.319	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-64.9	118	178.8	-66.1	0	0	0	0	109.9	F255	T219-F255 PolarHBondContact OG1-O 3.06Å
220	P	82.4	Confident	90.5	Very high	14 Å²	14	46.6 Å²	46.6	9%	0.091	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-76.9	150.1	-177.7	31.1	-33.6	0	0	0	111.2	Y218 F222 P233	Y218-P220 VanDerWaalsContact O-CD 3.23Å; Y218-P220 WeakPolarHBondContact O-CD 3.36Å; Y218-P220 VanDerWaalsContact O-N 3.13Å; P220-F222 HydrophobicContact CG-CD2 4.5Å; P220-F222 HydrophobicContact CG-CE1 4.5Å; P220-F222 HydrophobicContact CG-CE2 3.63Å; P220-F222 HydrophobicContact CG-CZ 3.63Å; P220-P233 HydrophobicContact CB-CG 3.49Å; P220-P233 VanDerWaalsContact CB-CG 3.49Å; P220-P233 HydrophobicContact CG-CG 3.72Å
221	T	80.2	Confident	90.7	Very high	129 Å²	129	47.3 Å²	47.3	79%	0.791	25%	0.249	S	C	*	.	P	Polyproline II helix	trans	-80.5	125.2	169.3	-51.6	0	0	0	0	109.6
222	F	84.5	Confident	90.6	Very high	84 Å²	84	47 Å²	47	37%	0.368	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-100.4	134.8	174.1	-65.8	-83.8	0	0	0	110.4	I164 P220 P230 I231	I164-F222 HydrophobicContact CD1-CD1 3.9Å; I164-F222 HydrophobicContact CD1-CE1 3.48Å; I164-F222 VanDerWaalsContact CD1-CE1 3.48Å; P220-F222 HydrophobicContact CG-CD2 4.5Å; P220-F222 HydrophobicContact CG-CE1 4.5Å; P220-F222 HydrophobicContact CG-CE2 3.63Å; P220-F222 HydrophobicContact CG-CZ 3.63Å; F222-P230 HydrophobicContact CD1-CB 4.46Å; F222-I231 WeakPolarHBondContact CA-O 3.45Å
223	R	89.6	Confident	90.2	Very high	133 Å²	133	44.4 Å²	44.4	50%	0.502	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	171.7	165.4	-63.7	179.7	-67.9	173.6	1.1	109.2	P230 I231	R223-P230 CarbonylContact O-C 3.57Å; R223-P230 WeakPolarHBondContact O-CA 3.3Å; R223-I231 HydrophobicContact CB-CB 4.19Å; R223-I231 PolarHBondContact N-O 2.62Å; R223-I231 PolarHBondContact O-N 3.33Å
224	Q	92.9	Very high	89.5	Confident	115 Å²	115	45.4 Å²	45.4	54%	0.537	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	140.7	173.7	-65.9	-68.1	-20.8	0	0	108.6	G228 I229	Q224-G228 PolarHBondContact OE1-O 2.93Å; Q224-I229 VanDerWaalsContact OE1-C 3.25Å; Q224-I229 PolarHBondContact OE1-O 2.63Å
225	S	93.6	Very high	88.2	Confident	15 Å²	15	46.8 Å²	46.8	11%	0.105	25%	0.253	C	S	.	.			trans	-73.4	171.2	166	82.5	0	0	0	0	110.6	A150 A227 G228 I229	A150-S225 WeakPolarHBondContact O-CB 3.19Å; A150-S225 PolarHBondContact O-OG 3.05Å; S225-A227 PolarHBondContact O-N 2.94Å; S225-A227 PolarHBondContact OG-N 3.27Å; S225-G228 PolarHBondContact O-N 3.03Å; S225-I229 PolarHBondContact N-O 2.79Å; S225-I229 WeakPolarHBondContact OG-CB 3.37Å; S225-I229 PolarHBondContact OG-N 3.12Å; S225-I229 VanDerWaalsContact OG-N 3.14Å
226	E	94	Very high	86.8	Confident	176 Å²	176	50.4 Å²	50.4	82%	0.822	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-35	174.5	-61.2	-180	175.7	0	0	111.7	A150 G228	A150-E226 PolarHBondContact O-N 3Å; E226-G228 PolarHBondContact O-N 3.27Å
227	A	92.9	Very high	85.5	Confident	27 Å²	27	51.9 Å²	51.9	22%	0.223	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	7.1	175.3	0	0	0	0	0	115.7	A150 K161 S225 I229	A150-A227 WeakPolarHBondContact O-CB 2.74Å; A150-A227 PolarHBondContact O-N 2.76Å; A150-A227 VanDerWaalsContact O-N 3.14Å; K161-A227 PolarHBondContact NZ-O 2.98Å; K161-A227 VanDerWaalsContact NZ-O 3.16Å; S225-A227 PolarHBondContact O-N 2.94Å; S225-A227 PolarHBondContact OG-N 3.27Å; A227-I229 VanDerWaalsContact C-N 3.3Å; A227-I229 HydrophobicContact CB-CD1 4.08Å; A227-I229 HydrophobicContact CB-CG1 4.21Å; A227-I229 PolarHBondContact O-N 3.24Å
228	G	93.9	Very high	84.2	Confident	44 Å²	44	51.9 Å²	51.9	45%	0.454	29%	0.29	S	S	.	.			trans	66.2	28.3	-176.5	0	0	0	0	0	113.9	Q224 S225 E226	Q224-G228 PolarHBondContact OE1-O 2.93Å; S225-G228 PolarHBondContact O-N 3.03Å; E226-G228 PolarHBondContact O-N 3.27Å
229	I	93.9	Very high	82.9	Confident	4 Å²	4	53.2 Å²	53.2	2%	0.021	31%	0.306	C	S	.	.			trans	-86.9	128.9	172.9	-55.4	160.9	0	0	0	107.8	V149 K161 P162 L165 Q224 S225 A227	V149-I229 HydrophobicContact CG1-CD1 4.25Å; V149-I229 WeakPolarHBondContact O-CD1 3.36Å; K161-I229 VanDerWaalsContact CE-CG1 3.48Å; P162-I229 HydrophobicContact CG-CD1 3.92Å; P162-I229 HydrophobicContact CG-CG2 4.19Å; L165-I229 HydrophobicContact CD1-CB 4.38Å; L165-I229 HydrophobicContact CD1-CG2 4.4Å; L165-I229 HydrophobicContact CD2-CG2 4.24Å; L165-I229 HydrophobicContact CG-CB 4.27Å; L165-I229 HydrophobicContact CG-CG2 3.75Å; Q224-I229 VanDerWaalsContact OE1-C 3.25Å; Q224-I229 PolarHBondContact OE1-O 2.63Å; S225-I229 PolarHBondContact N-O 2.79Å; S225-I229 WeakPolarHBondContact OG-CB 3.37Å; S225-I229 PolarHBondContact OG-N 3.12Å; S225-I229 VanDerWaalsContact OG-N 3.14Å; A227-I229 VanDerWaalsContact C-N 3.3Å; A227-I229 HydrophobicContact CB-CD1 4.08Å; A227-I229 HydrophobicContact CB-CG1 4.21Å; A227-I229 PolarHBondContact O-N 3.24Å
230	P	92.8	Very high	81.8	Confident	41 Å²	41	55 Å²	55	27%	0.266	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	142.4	175.7	-23.4	33.1	0	0	0	111.5	I164 L165 F222 R223	I164-P230 WeakPolarHBondContact CA-O 3.42Å; I164-P230 HydrophobicContact CG1-CB 4.19Å; I164-P230 VanDerWaalsContact CG1-O 3.28Å; I164-P230 WeakPolarHBondContact CG1-O 3.02Å; L165-P230 PolarHBondContact N-O 3.37Å; F222-P230 HydrophobicContact CD1-CB 4.46Å; R223-P230 CarbonylContact O-C 3.57Å; R223-P230 WeakPolarHBondContact O-CA 3.3Å
231	I	91.8	Very high	80.8	Confident	16 Å²	16	56 Å²	56	8%	0.082	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	120.5	175.3	-46.2	-173.7	0	0	0	108.3	L165 M167 M177 F222 R223	L165-I231 HydrophobicContact CB-CB 4.46Å; L165-I231 HydrophobicContact CB-CG1 4.11Å; L165-I231 HydrophobicContact CB-CG2 4.34Å; L165-I231 HydrophobicContact CD1-CD1 4.19Å; L165-I231 HydrophobicContact CD1-CG1 4.07Å; L165-I231 HydrophobicContact CG-CG1 4.48Å; L165-I231 WeakPolarHBondContact O-CA 3.28Å; M167-I231 HydrophobicContact CG-CG2 3.93Å; M167-I231 HydrophobicContact SD-CG2 3.74Å; M177-I231 HydrophobicContact CE-CD1 4.17Å; M177-I231 HydrophobicContact CE-CG2 4.03Å; F222-I231 WeakPolarHBondContact CA-O 3.45Å; R223-I231 HydrophobicContact CB-CB 4.19Å; R223-I231 PolarHBondContact N-O 2.62Å; R223-I231 PolarHBondContact O-N 3.33Å
232	G	88.3	Confident	80	Confident	4 Å²	4	60.3 Å²	60.3	4%	0.041	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.6	-168.4	-176.3	0	0	0	0	0	113	L165 A166 M167	L165-G232 PolarHBondContact O-N 3.18Å; L165-G232 VanDerWaalsContact O-N 3.12Å; A166-G232 CarbonylContact C-O 3.45Å; A166-G232 VanDerWaalsContact CA-O 3.26Å; A166-G232 WeakPolarHBondContact CA-O 3.41Å; M167-G232 PolarHBondContact N-O 2.89Å
233	P	83.9	Confident	79.1	Confident	5 Å²	5	61.7 Å²	61.7	3%	0.032	34%	0.337	C	S	.	.			trans	-69.3	146.2	177.9	32	-38.2	0	0	0	111.6	P220 S235 T608	P220-P233 HydrophobicContact CB-CG 3.49Å; P220-P233 VanDerWaalsContact CB-CG 3.49Å; P220-P233 HydrophobicContact CG-CG 3.72Å; P233-S235 PolarHBondContact O-N 2.86Å; P233-T608 HydrophobicContact CB-CG2 3.88Å
234	N	77.6	Confident	78.2	Confident	48 Å²	48	58.6 Å²	58.6	26%	0.257	33%	0.329	S	S	.	.			trans	-82.3	38.2	176.9	-158	23.1	0	0	0	113	A166 S180	A166-N234 HydrophobicContact CB-CB 3.74Å; S180-N234 PolarHBondContact OG-ND2 2.83Å; S180-N234 PolarHBondContact OG-OD1 2.92Å
235	S	69.3	Low	77.5	Confident	29 Å²	29	54.3 Å²	54.3	20%	0.203	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-101.6	134.1	-177.2	-64.9	0	0	0	0	111.3	P233 T237	P233-S235 PolarHBondContact O-N 2.86Å; S235-T237 PolarHBondContact O-N 2.93Å
236	S	64.6	Low	76.8	Confident	91 Å²	91	56.5 Å²	56.5	64%	0.636	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-69	127.8	173.7	58.9	0	0	0	0	110.9
237	T	66.9	Low	76.3	Confident	35 Å²	35	50.3 Å²	50.3	22%	0.215	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-87.5	138	178.1	73.2	0	0	0	0	111	F217 S235 A239 S240	F217-T237 HydrophobicContact CE1-CG2 4.12Å; F217-T237 HydrophobicContact CZ-CG2 3.83Å; S235-T237 PolarHBondContact O-N 2.93Å; T237-A239 PolarHBondContact O-N 3.19Å; T237-S240 WeakPolarHBondContact O-CB 3.18Å; T237-S240 PolarHBondContact O-N 3.35Å; T237-S240 VanDerWaalsContact O-N 3.14Å; T237-S240 PolarHBondContact O-OG 3.29Å; T237-S240 PolarHBondContact OG1-N 2.88Å
238	P	63.5	Low	76.2	Confident	4 Å²	4	50.3 Å²	50.3	3%	0.026	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-56	-33.8	171.1	-30.8	39.6	0	0	0	113.6	K215 F217 S240 L245 Y248 F255	K215-P238 HydrophobicContact CD-CG 3.92Å; F217-P238 HydrophobicContact CB-CG 4.44Å; F217-P238 HydrophobicContact CD1-CG 4.26Å; F217-P238 HydrophobicContact CG-CG 4.23Å; P238-S240 PolarHBondContact O-N 2.74Å; P238-L245 HydrophobicContact CB-CD2 4.21Å; P238-L245 WeakPolarHBondContact O-CD2 3.37Å; P238-Y248 HydrophobicContact CB-CD2 3.97Å; P238-Y248 HydrophobicContact CB-CE2 3.67Å; P238-Y248 HydrophobicContact CG-CE2 4.05Å; P238-F255 HydrophobicContact CB-CD1 4.44Å; P238-F255 HydrophobicContact CB-CE1 3.89Å; P238-F255 HydrophobicContact CB-CE2 4.24Å; P238-F255 HydrophobicContact CB-CZ 3.76Å; P238-F255 HydrophobicContact CG-CE1 3.87Å; P238-F255 HydrophobicContact CG-CZ 4.11Å
239	A	59.3	Low	76.2	Confident	52 Å²	52	48.6 Å²	48.6	43%	0.43	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-68.9	-13.4	180	0	0	0	0	0	114.2	T237 S241 F255	T237-A239 PolarHBondContact O-N 3.19Å; A239-S241 PolarHBondContact O-N 3.16Å; A239-F255 HydrophobicContact CB-CB 4.07Å
240	S	60.9	Low	76.1	Confident	88 Å²	88	48.5 Å²	48.5	62%	0.615	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-64	-18.3	178.7	64	0	0	0	0	114	T237 P238	T237-S240 WeakPolarHBondContact O-CB 3.18Å; T237-S240 PolarHBondContact O-N 3.35Å; T237-S240 VanDerWaalsContact O-N 3.14Å; T237-S240 PolarHBondContact O-OG 3.29Å; T237-S240 PolarHBondContact OG1-N 2.88Å; P238-S240 PolarHBondContact O-N 2.74Å
241	S	62	Low	76.1	Confident	35 Å²	35	47.5 Å²	47.5	25%	0.245	26%	0.261	C	S	.	.			trans	-143.5	120	177.4	178	0	0	0	0	112.6	A239 H243 I244 L245	A239-S241 PolarHBondContact O-N 3.16Å; S241-H243 PolarHBondContact O-N 3.08Å; S241-H243 VanDerWaalsContact O-N 3.15Å; S241-H243 PolarHBondContact OG-N 2.96Å; S241-I244 PolarHBondContact O-N 2.86Å; S241-I244 VanDerWaalsContact O-N 3.09Å; S241-L245 PolarHBondContact O-N 2.7Å
242	R	63.8	Low	76	Confident	220 Å²	220	48.5 Å²	48.5	83%	0.83	27%	0.272	S	S	*	.	H	α-helix	trans	-57.2	-29.9	175.7	-68.7	-176.8	178.8	178.5	-0.1	113.2
243	H	64.8	Low	76.1	Confident	114 Å²	114	48.7 Å²	48.7	53%	0.528	27%	0.272	S	S	.	.	H	α-helix	trans	-72.8	-31.1	-179.6	-61.5	-71.2	0	0	0	112.6	S241	S241-H243 PolarHBondContact O-N 3.08Å; S241-H243 VanDerWaalsContact O-N 3.15Å; S241-H243 PolarHBondContact OG-N 2.96Å
244	I	72	Confident	76.5	Confident	68 Å²	68	48.5 Å²	48.5	35%	0.349	27%	0.271	S	S	.	.	H	α-helix	trans	-77.9	-30.3	179.8	-66.5	178.8	0	0	0	110.9	S241 N246 L247 Y248	S241-I244 PolarHBondContact O-N 2.86Å; S241-I244 VanDerWaalsContact O-N 3.09Å; I244-N246 PolarHBondContact O-N 3.19Å; I244-N246 VanDerWaalsContact O-N 3.1Å; I244-L247 HydrophobicContact CG2-CD1 4.31Å; I244-L247 WeakPolarHBondContact O-CB 3.4Å; I244-L247 WeakPolarHBondContact O-CG 3.33Å; I244-L247 PolarHBondContact O-N 3.16Å; I244-Y248 HydrophobicContact CG2-CD2 4.37Å; I244-Y248 HydrophobicContact CG2-CE2 3.57Å
245	L	78.8	Confident	77	Confident	24 Å²	24	46.5 Å²	46.5	13%	0.126	26%	0.26	C	S	.	.	H	α-helix	trans	-56.7	-29.5	178.4	-67.7	174.9	0	0	0	113.3	P238 S241 L247 Y248 A252 F255	P238-L245 HydrophobicContact CB-CD2 4.21Å; P238-L245 WeakPolarHBondContact O-CD2 3.37Å; S241-L245 PolarHBondContact O-N 2.7Å; L245-L247 PolarHBondContact O-N 2.86Å; L245-Y248 PolarHBondContact O-N 3.36Å; L245-Y248 VanDerWaalsContact O-N 3.13Å; L245-A252 HydrophobicContact CD1-CB 3.61Å; L245-F255 HydrophobicContact CD2-CD2 3.78Å; L245-F255 HydrophobicContact CD2-CE2 3.61Å
246	N	78.1	Confident	78	Confident	61 Å²	61	49.7 Å²	49.7	33%	0.326	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-13.2	175.4	-78.5	-30.1	0	0	0	114.1	R62 I244	R62-N246 VanDerWaalsContact CZ-O 3.29Å; R62-N246 PolarHBondContact NH1-O 2.87Å; R62-N246 PolarHBondContact NH2-O 2.85Å; I244-N246 PolarHBondContact O-N 3.19Å; I244-N246 VanDerWaalsContact O-N 3.1Å
247	L	84.4	Confident	79.2	Confident	46 Å²	46	45.6 Å²	45.6	24%	0.241	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-16.6	176.3	-54.7	179.7	0	0	0	112.3	Q70 R212 T213 I244 L245	Q70-L247 HydrophobicContact CB-CD2 4.02Å; Q70-L247 HydrophobicContact CG-CD2 3.5Å; Q70-L247 VanDerWaalsContact CG-CD2 3.5Å; R212-L247 VanDerWaalsContact CA-O 3.31Å; R212-L247 WeakPolarHBondContact CA-O 3.43Å; T213-L247 PolarHBondContact N-O 3.35Å; I244-L247 HydrophobicContact CG2-CD1 4.31Å; I244-L247 WeakPolarHBondContact O-CB 3.4Å; I244-L247 WeakPolarHBondContact O-CG 3.33Å; I244-L247 PolarHBondContact O-N 3.16Å; L245-L247 PolarHBondContact O-N 2.86Å
248	Y	90.4	Very high	80.1	Confident	27 Å²	27	49 Å²	49	11%	0.106	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-105.2	152.9	-174.4	-59.5	-61.8	0	0	0	112.4	R212 T213 K215 P238 I244 L245	R212-Y248 WeakPolarHBondContact CD-O 3.43Å; T213-Y248 HydrophobicContact CG2-CD1 4.24Å; T213-Y248 HydrophobicContact CG2-CE1 4.15Å; T213-Y248 WeakPolarHBondContact O-CA 3.48Å; T213-Y248 WeakPolarHBondContact O-CD1 3.3Å; K215-Y248 HydrophobicContact CB-CD1 3.64Å; K215-Y248 HydrophobicContact CB-CE1 3.59Å; K215-Y248 HydrophobicContact CB-CG 4.49Å; K215-Y248 HydrophobicContact CD-CD1 4.49Å; K215-Y248 HydrophobicContact CD-CE1 3.7Å; K215-Y248 HydrophobicContact CG-CE1 4.29Å; P238-Y248 HydrophobicContact CB-CD2 3.97Å; P238-Y248 HydrophobicContact CB-CE2 3.67Å; P238-Y248 HydrophobicContact CG-CE2 4.05Å; I244-Y248 HydrophobicContact CG2-CD2 4.37Å; I244-Y248 HydrophobicContact CG2-CE2 3.57Å; L245-Y248 PolarHBondContact O-N 3.36Å; L245-Y248 VanDerWaalsContact O-N 3.13Å
249	T	92.9	Very high	81.3	Confident	9 Å²	9	50.7 Å²	50.7	6%	0.055	28%	0.278	C	S	.	.	S	Bend	trans	-70.1	-39.8	170.9	48	0	0	0	0	111.9	R212 T213 T214 D274 V277	R212-T249 HydrophobicContact CB-CG2 3.74Å; T213-T249 PolarHBondContact O-N 2.66Å; T214-T249 WeakPolarHBondContact CA-OG1 3.26Å; T214-T249 WeakPolarHBondContact OG1-CG2 3.4Å; T214-T249 PolarHBondContact OG1-OG1 2.89Å; T249-D274 HydrophobicContact CG2-CB 4.07Å; T249-V277 HydrophobicContact CG2-CG2 3.64Å
250	T	92.8	Very high	82.6	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.006	28%	0.276	C	S	.	.	S	Bend	trans	-64.2	125.9	178	-56.2	0	0	0	0	111.7	A254 F255 H267	T250-A254 HydrophobicContact CG2-CB 3.57Å; T250-F255 HydrophobicContact CG2-CD2 4.19Å; T250-F255 HydrophobicContact CG2-CE1 4.26Å; T250-F255 HydrophobicContact CG2-CE2 3.64Å; T250-F255 HydrophobicContact CG2-CZ 3.69Å; T250-H267 WeakPolarHBondContact CG2-ND1 3.26Å; T250-H267 PolarHBondContact OG1-ND1 2.92Å
251	P	91.4	Very high	84	Confident	20 Å²	20	54.6 Å²	54.6	13%	0.13	28%	0.275	C	S	.	.			trans	-77.6	158.6	179.5	34.1	-38.3	0	0	0	112.5	A254 F270 L325 L328	P251-A254 HydrophobicContact CG-CB 4.21Å; P251-A254 WeakPolarHBondContact O-CB 3.45Å; P251-A254 PolarHBondContact O-N 2.84Å; P251-F270 VanDerWaalsContact CD-CG 3.48Å; P251-F270 HydrophobicContact CG-CD1 4.16Å; P251-F270 HydrophobicContact CG-CD2 3.8Å; P251-F270 HydrophobicContact CG-CE1 3.92Å; P251-F270 HydrophobicContact CG-CE2 3.56Å; P251-F270 HydrophobicContact CG-CG 4.11Å; P251-F270 HydrophobicContact CG-CZ 3.64Å; P251-L325 HydrophobicContact CG-CD2 3.71Å; P251-L328 HydrophobicContact CB-CD1 3.48Å; P251-L328 VanDerWaalsContact CB-CD1 3.48Å; P251-L328 HydrophobicContact CG-CD1 3.99Å
252	A	89.6	Confident	85.5	Confident	38 Å²	38	53.3 Å²	53.3	31%	0.314	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-47.7	-48	-178.7	0	0	0	0	0	115.3	L245 A254 F255	L245-A252 HydrophobicContact CD1-CB 3.61Å; A252-A254 PolarHBondContact O-N 3.5Å; A252-F255 PolarHBondContact O-N 2.81Å
253	P	91.9	Very high	86.9	Confident	8 Å²	8	42.9 Å²	42.9	5%	0.052	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-66.4	-22.4	-176.7	-11.4	25.4	0	0	0	113.3	F255 E256 V321 R324 L325	P253-F255 PolarHBondContact O-N 2.63Å; P253-E256 WeakPolarHBondContact O-CB 3.27Å; P253-E256 PolarHBondContact O-N 3.11Å; P253-E256 VanDerWaalsContact O-N 3.07Å; P253-V321 HydrophobicContact CB-CG1 4.2Å; P253-V321 WeakPolarHBondContact O-CG1 3.47Å; P253-R324 HydrophobicContact CB-CB 4.17Å; P253-R324 HydrophobicContact CG-CB 3.88Å; P253-L325 HydrophobicContact CB-CD2 3.89Å; P253-L325 HydrophobicContact CB-CG 3.99Å; P253-L325 HydrophobicContact CG-CD2 4.17Å
254	A	91.7	Very high	88.3	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-69.9	-23.9	178.9	0	0	0	0	0	112	T250 P251 A252 E256 V257 L266 L325	T250-A254 HydrophobicContact CG2-CB 3.57Å; P251-A254 HydrophobicContact CG-CB 4.21Å; P251-A254 WeakPolarHBondContact O-CB 3.45Å; P251-A254 PolarHBondContact O-N 2.84Å; A252-A254 PolarHBondContact O-N 3.5Å; A254-E256 PolarHBondContact O-N 3.43Å; A254-V257 PolarHBondContact O-N 2.51Å; A254-L266 HydrophobicContact CB-CB 4.11Å; A254-L266 HydrophobicContact CB-CD1 3.94Å; A254-L325 HydrophobicContact CB-CD2 4.06Å
255	F	88.5	Confident	89.5	Confident	6 Å²	6	35.3 Å²	35.3	3%	0.026	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-77.4	-7.3	172.5	-63.5	-74.5	0	0	0	113.2	F217 T219 P238 A239 L245 T250 A252 P253 V257 H267	F217-F255 HydrophobicContact CB-CE1 4.45Å; F217-F255 HydrophobicContact CD1-CD1 4.3Å; F217-F255 HydrophobicContact CD1-CE1 4.36Å; T219-F255 PolarHBondContact OG1-O 3.06Å; P238-F255 HydrophobicContact CB-CD1 4.44Å; P238-F255 HydrophobicContact CB-CE1 3.89Å; P238-F255 HydrophobicContact CB-CE2 4.24Å; P238-F255 HydrophobicContact CB-CZ 3.76Å; P238-F255 HydrophobicContact CG-CE1 3.87Å; P238-F255 HydrophobicContact CG-CZ 4.11Å; A239-F255 HydrophobicContact CB-CB 4.07Å; L245-F255 HydrophobicContact CD2-CD2 3.78Å; L245-F255 HydrophobicContact CD2-CE2 3.61Å; T250-F255 HydrophobicContact CG2-CD2 4.19Å; T250-F255 HydrophobicContact CG2-CE1 4.26Å; T250-F255 HydrophobicContact CG2-CE2 3.64Å; T250-F255 HydrophobicContact CG2-CZ 3.69Å; A252-F255 PolarHBondContact O-N 2.81Å; P253-F255 PolarHBondContact O-N 2.63Å; F255-V257 VanDerWaalsContact C-N 3.33Å; F255-H267 AromaticContact CE1-CE1 4Å
256	E	89.4	Confident	90.4	Very high	97 Å²	97	34.1 Å²	34.1	45%	0.453	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-85.7	-10.1	173.2	-57.7	169.9	-148	0	0	111.2	P253 A254 P258 V321 R324	P253-E256 WeakPolarHBondContact O-CB 3.27Å; P253-E256 PolarHBondContact O-N 3.11Å; P253-E256 VanDerWaalsContact O-N 3.07Å; A254-E256 PolarHBondContact O-N 3.43Å; E256-P258 WeakPolarHBondContact O-CD 3.49Å; E256-V321 HydrophobicContact CB-CG2 4.2Å; E256-R324 IonicContact OE1-CZ 2.68Å; E256-R324 VanDerWaalsContact OE1-CZ 3.3Å; E256-R324 IonicContact OE1-NH1 3.19Å; E256-R324 PolarHBondContact OE1-NH1 3.25Å; E256-R324 IonicContact OE1-NH2 3.62Å; E256-R324 PolarHBondContact OE1-NH2 3.39Å; E256-R324 IonicContact OE2-CZ 3.96Å; E256-R324 IonicContact OE2-NH1 3.77Å; E256-R324 PolarHBondContact OE2-NH1 2.95Å
257	V	90.3	Very high	91.3	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.024	17%	0.168	C	C	.	.			trans	-80.4	121.8	-178.1	-179.8	0	0	0	0	110.4	A254 F255 D262 T263 L266 L317 V321	A254-V257 PolarHBondContact O-N 2.51Å; F255-V257 VanDerWaalsContact C-N 3.33Å; V257-D262 HydrophobicContact CG1-CB 4Å; V257-T263 WeakPolarHBondContact CB-OG1 3.39Å; V257-T263 WeakPolarHBondContact CG1-OG1 3.38Å; V257-T263 PolarHBondContact O-OG1 3.16Å; V257-L266 HydrophobicContact CG2-CD1 3.84Å; V257-L317 HydrophobicContact CB-CD2 4.49Å; V257-L317 HydrophobicContact CG1-CD2 3.85Å; V257-L317 HydrophobicContact CG2-CD2 3.75Å; V257-V321 HydrophobicContact CG2-CG1 3.89Å
258	P	84.8	Confident	92	Very high	106 Å²	106	29.3 Å²	29.3	69%	0.688	16%	0.158	S	C	*	.			trans	-79.7	-28.1	-175.9	29.8	-34.4	0	0	0	113.3	E256 E260	E256-P258 WeakPolarHBondContact O-CD 3.49Å; P258-E260 PolarHBondContact O-N 3.34Å
259	S	88.7	Confident	92.3	Very high	41 Å²	41	28 Å²	28	29%	0.287	15%	0.153	S	C	.	.			trans	-72.8	116.5	-177.5	170	0	0	0	0	111	K261 D262 T263	S259-K261 VanDerWaalsContact C-N 3.26Å; S259-K261 PolarHBondContact O-N 3.33Å; S259-D262 WeakPolarHBondContact CB-OD2 3.2Å; S259-D262 PolarHBondContact O-N 2.93Å; S259-D262 PolarHBondContact OG-N 3.43Å; S259-D262 PolarHBondContact OG-OD2 3.32Å; S259-T263 WeakPolarHBondContact O-CB 3.46Å; S259-T263 PolarHBondContact O-N 2.81Å; S259-T263 PolarHBondContact O-OG1 3.46Å
260	E	87.6	Confident	92.5	Very high	84 Å²	84	28.5 Å²	28.5	39%	0.393	16%	0.155	S	C	.	.	H	α-helix	trans	-57.6	-40.6	178.3	-64.6	175	-160.5	0	0	112.3	Y218 P258 L264 M599 A606	Y218-E260 HydrophobicContact CD1-CB 3.88Å; Y218-E260 HydrophobicContact CD1-CG 4.05Å; Y218-E260 HydrophobicContact CE1-CB 4.17Å; Y218-E260 WeakPolarHBondContact CE1-O 3.24Å; Y218-E260 HydrophobicContact CG-CB 4.34Å; Y218-E260 HydrophobicContact CG-CG 4.05Å; P258-E260 PolarHBondContact O-N 3.34Å; E260-L264 VanDerWaalsContact O-CB 3.29Å; E260-L264 WeakPolarHBondContact O-CB 3.4Å; E260-L264 PolarHBondContact O-N 3.15Å; E260-M599 VanDerWaalsContact OE1-CE 3.27Å; E260-M599 WeakPolarHBondContact OE1-CE 3.11Å; E260-M599 WeakPolarHBondContact OE2-CE 3.41Å; E260-A606 VanDerWaalsContact CD-CB 3.43Å; E260-A606 HydrophobicContact CG-CB 4.29Å; E260-A606 WeakPolarHBondContact OE1-CB 3.08Å; E260-A606 WeakPolarHBondContact OE2-CB 3.32Å
261	K	89.3	Confident	92.7	Very high	137 Å²	137	28.5 Å²	28.5	60%	0.596	15%	0.154	S	C	*	.	H	α-helix	trans	-61.9	-45.8	178.2	-178.9	-170	173.3	-167.9	0	111.4	S259 Y265	S259-K261 VanDerWaalsContact C-N 3.26Å; S259-K261 PolarHBondContact O-N 3.33Å; K261-Y265 PolarHBondContact O-N 3.18Å; K261-Y265 VanDerWaalsContact O-N 3.11Å
262	D	93.5	Very high	93	Very high	9 Å²	9	27.5 Å²	27.5	5%	0.048	15%	0.148	C	C	.	.	H	α-helix	trans	-75.6	-38.1	-176.3	-58.3	-32.6	0	0	0	110.7	V257 S259 Y265 L266 L315 L317	V257-D262 HydrophobicContact CG1-CB 4Å; S259-D262 WeakPolarHBondContact CB-OD2 3.2Å; S259-D262 PolarHBondContact O-N 2.93Å; S259-D262 PolarHBondContact OG-N 3.43Å; S259-D262 PolarHBondContact OG-OD2 3.32Å; D262-Y265 WeakPolarHBondContact O-CB 3.2Å; D262-Y265 PolarHBondContact O-N 3.06Å; D262-L266 WeakPolarHBondContact O-CG 3.33Å; D262-L266 PolarHBondContact O-N 2.81Å; D262-L315 HydrophobicContact CB-CB 4.38Å; D262-L315 HydrophobicContact CB-CD2 4.2Å; D262-L315 HydrophobicContact CB-CG 3.94Å; D262-L317 HydrophobicContact CB-CD2 4.49Å
263	T	93.9	Very high	93.3	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.006	14%	0.141	C	C	.	.	H	α-helix	trans	-62.2	-41.9	172.7	-63.1	0	0	0	0	111.7	Y218 V257 S259 Y265 L266 H267	Y218-T263 HydrophobicContact CD1-CG2 4.28Å; V257-T263 WeakPolarHBondContact CB-OG1 3.39Å; V257-T263 WeakPolarHBondContact CG1-OG1 3.38Å; V257-T263 PolarHBondContact O-OG1 3.16Å; S259-T263 WeakPolarHBondContact O-CB 3.46Å; S259-T263 PolarHBondContact O-N 2.81Å; S259-T263 PolarHBondContact O-OG1 3.46Å; T263-Y265 VanDerWaalsContact C-N 3.35Å; T263-Y265 PolarHBondContact O-N 3.03Å; T263-L266 PolarHBondContact O-N 3.3Å; T263-H267 WeakPolarHBondContact CG2-NE2 3.31Å; T263-H267 PolarHBondContact O-CD2 3.25Å; T263-H267 VanDerWaalsContact O-CG 3.24Å; T263-H267 PolarHBondContact O-N 3.44Å
264	L	95	Very high	93.4	Very high	18 Å²	18	27.4 Å²	27.4	9%	0.094	14%	0.14	C	C	.	.	H	α-helix	trans	-61	-44	174.1	179.5	57.4	0	0	0	111.7	F216 Y218 E260 L266 H267 L268 A291 A294	F216-L264 HydrophobicContact CD1-CD1 3.87Å; F216-L264 HydrophobicContact CE1-CD1 4.24Å; Y218-L264 HydrophobicContact CE1-CB 4.12Å; E260-L264 VanDerWaalsContact O-CB 3.29Å; E260-L264 WeakPolarHBondContact O-CB 3.4Å; E260-L264 PolarHBondContact O-N 3.15Å; L264-L266 VanDerWaalsContact C-N 3.31Å; L264-L266 PolarHBondContact O-N 3.07Å; L264-H267 PolarHBondContact O-N 3.09Å; L264-L268 HydrophobicContact CD1-CD1 4.36Å; L264-L268 HydrophobicContact CD1-CG 4.33Å; L264-L268 HydrophobicContact CG-CD1 4.25Å; L264-L268 WeakPolarHBondContact O-CG 3.42Å; L264-L268 PolarHBondContact O-N 3.32Å; L264-A291 HydrophobicContact CD1-CB 3.69Å; L264-A294 HydrophobicContact CD2-CB 3.72Å; L264-A294 HydrophobicContact CG-CB 4.48Å
265	Y	97	Very high	93.5	Very high	4 Å²	4	29 Å²	29	2%	0.016	15%	0.15	C	C	.	.	H	α-helix	trans	-57.8	-46	175.4	-176	-85.3	0	0	0	111.2	K261 D262 T263 L268 L269 E301 L302 D305 L315	K261-Y265 PolarHBondContact O-N 3.18Å; K261-Y265 VanDerWaalsContact O-N 3.11Å; D262-Y265 WeakPolarHBondContact O-CB 3.2Å; D262-Y265 PolarHBondContact O-N 3.06Å; T263-Y265 VanDerWaalsContact C-N 3.35Å; T263-Y265 PolarHBondContact O-N 3.03Å; Y265-L268 PolarHBondContact O-N 2.72Å; Y265-L269 HydrophobicContact CE1-CB 4.42Å; Y265-L269 HydrophobicContact CE1-CD2 4.09Å; Y265-L269 WeakPolarHBondContact O-CB 3.3Å; Y265-L269 PolarHBondContact O-N 3.14Å; Y265-E301 HydrophobicContact CE2-CG 4.21Å; Y265-E301 PolarHBondContact OH-O 3.42Å; Y265-L302 HydrophobicContact CD1-CD2 4.2Å; Y265-L302 HydrophobicContact CD2-CD2 3.77Å; Y265-L302 HydrophobicContact CD2-CG 4.18Å; Y265-L302 HydrophobicContact CE1-CD2 3.88Å; Y265-L302 HydrophobicContact CE2-CD2 3.45Å; Y265-L302 VanDerWaalsContact CE2-CD2 3.45Å; Y265-L302 HydrophobicContact CE2-CG 3.65Å; Y265-L302 HydrophobicContact CG-CD2 4.15Å; Y265-L302 VanDerWaalsContact CZ-CD2 3.49Å; Y265-D305 PolarHBondContact OH-OD2 2.88Å; Y265-L315 HydrophobicContact CD1-CD1 3.82Å; Y265-L315 HydrophobicContact CD1-CD2 3.63Å; Y265-L315 HydrophobicContact CD1-CG 4.31Å; Y265-L315 HydrophobicContact CD2-CD1 4.48Å; Y265-L315 HydrophobicContact CE1-CD1 4.1Å; Y265-L315 HydrophobicContact CE1-CD2 4.32Å; Y265-L315 HydrophobicContact CG-CD1 4.02Å; Y265-L315 HydrophobicContact CG-CD2 4.23Å
266	L	97.3	Very high	93.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-64.1	-41.8	177.6	-67.1	170.5	0	0	0	112.1	A254 V257 D262 T263 L264 L268 L269 F270 I311 L315 L317 L325	A254-L266 HydrophobicContact CB-CB 4.11Å; A254-L266 HydrophobicContact CB-CD1 3.94Å; V257-L266 HydrophobicContact CG2-CD1 3.84Å; D262-L266 WeakPolarHBondContact O-CG 3.33Å; D262-L266 PolarHBondContact O-N 2.81Å; T263-L266 PolarHBondContact O-N 3.3Å; L264-L266 VanDerWaalsContact C-N 3.31Å; L264-L266 PolarHBondContact O-N 3.07Å; L266-L268 VanDerWaalsContact C-N 3.33Å; L266-L268 PolarHBondContact O-N 3.44Å; L266-L269 PolarHBondContact O-N 2.96Å; L266-F270 HydrophobicContact CD2-CE2 4.3Å; L266-F270 VanDerWaalsContact O-CD2 3.28Å; L266-F270 WeakPolarHBondContact O-CD2 3.46Å; L266-F270 PolarHBondContact O-N 3.17Å; L266-I311 HydrophobicContact CD2-CD1 4.32Å; L266-I311 HydrophobicContact CD2-CG2 4.18Å; L266-L315 HydrophobicContact CD2-CD2 4.01Å; L266-L315 HydrophobicContact CG-CD2 3.99Å; L266-L317 HydrophobicContact CD1-CD2 4.42Å; L266-L325 HydrophobicContact CD1-CD1 3.79Å; L266-L325 HydrophobicContact CD2-CD1 4.1Å
267	H	97.3	Very high	94.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-56.8	-47.4	173.8	-67.2	-27.2	0	0	0	111.7	F216 F217 T250 F255 T263 L264 A271	F216-H267 HydrophobicContact CD1-CB 4.05Å; F216-H267 HydrophobicContact CE1-CB 4.29Å; F217-H267 PolarHBondContact N-NE2 3.16Å; F217-H267 VanDerWaalsContact N-NE2 3.18Å; F217-H267 PolarHBondContact O-NE2 2.95Å; T250-H267 WeakPolarHBondContact CG2-ND1 3.26Å; T250-H267 PolarHBondContact OG1-ND1 2.92Å; F255-H267 AromaticContact CE1-CE1 4Å; T263-H267 WeakPolarHBondContact CG2-NE2 3.31Å; T263-H267 PolarHBondContact O-CD2 3.25Å; T263-H267 VanDerWaalsContact O-CG 3.24Å; T263-H267 PolarHBondContact O-N 3.44Å; L264-H267 PolarHBondContact O-N 3.09Å; H267-A271 WeakPolarHBondContact O-CB 3.15Å; H267-A271 PolarHBondContact O-N 3.1Å
268	L	98.3	Very high	94.3	Very high	5 Å²	5	24.1 Å²	24.1	3%	0.026	13%	0.128	C	C	.	.	H	α-helix	trans	-64.6	-47.1	178.2	-69.6	171.8	0	0	0	111.4	F216 L264 Y265 L266 F270 A271 L272 A291 A294 L295 L302	F216-L268 HydrophobicContact CE1-CD2 4.01Å; F216-L268 HydrophobicContact CZ-CD2 4.41Å; L264-L268 HydrophobicContact CD1-CD1 4.36Å; L264-L268 HydrophobicContact CD1-CG 4.33Å; L264-L268 HydrophobicContact CG-CD1 4.25Å; L264-L268 WeakPolarHBondContact O-CG 3.42Å; L264-L268 PolarHBondContact O-N 3.32Å; Y265-L268 PolarHBondContact O-N 2.72Å; L266-L268 VanDerWaalsContact C-N 3.33Å; L266-L268 PolarHBondContact O-N 3.44Å; L268-F270 PolarHBondContact O-N 2.88Å; L268-A271 PolarHBondContact O-N 2.65Å; L268-L272 WeakPolarHBondContact O-CB 3.36Å; L268-L272 VanDerWaalsContact O-CG 3.25Å; L268-L272 WeakPolarHBondContact O-CG 3.23Å; L268-L272 PolarHBondContact O-N 2.92Å; L268-A291 HydrophobicContact CD2-CB 4.4Å; L268-A294 HydrophobicContact CD1-CB 4.33Å; L268-L295 HydrophobicContact CD1-CB 4.1Å; L268-L295 HydrophobicContact CD2-CB 4.22Å; L268-L302 HydrophobicContact CB-CD1 4.13Å; L268-L302 HydrophobicContact CB-CD2 4.25Å; L268-L302 HydrophobicContact CD1-CD1 4.32Å
269	L	98.1	Very high	94.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-57	-52.2	-179.8	180	61.2	0	0	0	111.5	Y265 L266 A271 L272 K273 L302 D305 V306 I311 M329	Y265-L269 HydrophobicContact CE1-CB 4.42Å; Y265-L269 HydrophobicContact CE1-CD2 4.09Å; Y265-L269 WeakPolarHBondContact O-CB 3.3Å; Y265-L269 PolarHBondContact O-N 3.14Å; L266-L269 PolarHBondContact O-N 2.96Å; L269-A271 VanDerWaalsContact C-N 3.33Å; L269-A271 PolarHBondContact O-N 3.03Å; L269-L272 PolarHBondContact O-N 3.46Å; L269-K273 WeakPolarHBondContact O-CG 3.32Å; L269-K273 PolarHBondContact O-N 2.76Å; L269-L302 HydrophobicContact CB-CD2 3.84Å; L269-L302 HydrophobicContact CD1-CD2 4.32Å; L269-D305 HydrophobicContact CD1-CB 3.89Å; L269-V306 HydrophobicContact CD1-CG2 3.79Å; L269-I311 HydrophobicContact CD2-CG1 4.25Å; L269-M329 HydrophobicContact CD1-CE 4.12Å; L269-M329 HydrophobicContact CD2-CE 3.78Å; L269-M329 HydrophobicContact CD2-SD 4.42Å; L269-M329 HydrophobicContact CG-CE 4.09Å
270	F	96.6	Very high	95.2	Very high	20 Å²	20	17.8 Å²	17.8	9%	0.088	9%	0.086	C	C	.	.	H	α-helix	trans	-70.8	-28.4	-179.8	-77.3	-77.7	0	0	0	113	P251 L266 L268 L325 L328 M329	P251-F270 VanDerWaalsContact CD-CG 3.48Å; P251-F270 HydrophobicContact CG-CD1 4.16Å; P251-F270 HydrophobicContact CG-CD2 3.8Å; P251-F270 HydrophobicContact CG-CE1 3.92Å; P251-F270 HydrophobicContact CG-CE2 3.56Å; P251-F270 HydrophobicContact CG-CG 4.11Å; P251-F270 HydrophobicContact CG-CZ 3.64Å; L266-F270 HydrophobicContact CD2-CE2 4.3Å; L266-F270 VanDerWaalsContact O-CD2 3.28Å; L266-F270 WeakPolarHBondContact O-CD2 3.46Å; L266-F270 PolarHBondContact O-N 3.17Å; L268-F270 PolarHBondContact O-N 2.88Å; F270-L325 HydrophobicContact CE2-CD2 4.11Å; F270-L325 HydrophobicContact CZ-CD2 4.34Å; F270-L328 HydrophobicContact CE1-CB 4.3Å; F270-L328 HydrophobicContact CZ-CB 4.49Å; F270-M329 HydrophobicContact CE1-SD 3.94Å; F270-M329 HydrophobicContact CZ-SD 3.89Å
271	A	97.3	Very high	95.6	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-68.2	-43.1	171	0	0	0	0	0	112.1	T214 H267 L268 L269 K273 D274 W355	T214-A271 HydrophobicContact CG2-CB 3.65Å; T214-A271 VanDerWaalsContact OG1-CB 3.29Å; T214-A271 WeakPolarHBondContact OG1-CB 3.36Å; H267-A271 WeakPolarHBondContact O-CB 3.15Å; H267-A271 PolarHBondContact O-N 3.1Å; L268-A271 PolarHBondContact O-N 2.65Å; L269-A271 VanDerWaalsContact C-N 3.33Å; L269-A271 PolarHBondContact O-N 3.03Å; A271-K273 VanDerWaalsContact C-N 3.28Å; A271-K273 PolarHBondContact O-N 3.26Å; A271-D274 PolarHBondContact O-N 3.2Å; A271-D274 VanDerWaalsContact O-N 3.09Å; A271-W355 HydrophobicContact CB-CH2 4.48Å; A271-W355 HydrophobicContact CB-CZ2 3.65Å; A271-W355 PolarHBondContact O-NE1 3.34Å
272	L	97.8	Very high	95.7	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-64.5	-33	179.4	-71.6	171.8	0	0	0	112.4	L268 L269 D274 L295 L302 V306 R335 L339 F343 L354 W355	L268-L272 WeakPolarHBondContact O-CB 3.36Å; L268-L272 VanDerWaalsContact O-CG 3.25Å; L268-L272 WeakPolarHBondContact O-CG 3.23Å; L268-L272 PolarHBondContact O-N 2.92Å; L269-L272 PolarHBondContact O-N 3.46Å; L272-D274 PolarHBondContact O-N 2.92Å; L272-L295 HydrophobicContact CD1-CD1 3.88Å; L272-L295 HydrophobicContact CD2-CD1 4.39Å; L272-L302 HydrophobicContact CD1-CB 3.87Å; L272-L302 HydrophobicContact CD1-CD1 4.11Å; L272-L302 HydrophobicContact CD1-CG 4.4Å; L272-V306 HydrophobicContact CB-CG2 4.5Å; L272-R335 PolarHBondContact O-NE 3.41Å; L272-R335 PolarHBondContact O-NH2 3.02Å; L272-L339 HydrophobicContact CB-CD1 4Å; L272-L339 HydrophobicContact CD2-CD1 4.49Å; L272-L339 HydrophobicContact CD2-CD2 3.82Å; L272-F343 HydrophobicContact CD2-CZ 4.12Å; L272-L354 HydrophobicContact CD2-CD1 3.99Å; L272-L354 HydrophobicContact CD2-CD2 4.05Å; L272-L354 HydrophobicContact CD2-CG 4.47Å; L272-W355 HydrophobicContact CD2-CZ2 4.22Å
273	K	95.3	Very high	95.5	Very high	37 Å²	37	11.6 Å²	11.6	16%	0.161	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-18.9	174.3	-69.5	-175.7	78.4	116.6	0	114	L269 A271 P275 V306 M329 K330	L269-K273 WeakPolarHBondContact O-CG 3.32Å; L269-K273 PolarHBondContact O-N 2.76Å; A271-K273 VanDerWaalsContact C-N 3.28Å; A271-K273 PolarHBondContact O-N 3.26Å; K273-P275 WeakPolarHBondContact O-CD 2.98Å; K273-V306 HydrophobicContact CG-CG1 4.37Å; K273-V306 HydrophobicContact CG-CG2 3.83Å; K273-M329 HydrophobicContact CD-CE 3.9Å; K273-M329 HydrophobicContact CD-SD 3.75Å; K273-M329 PolarHBondContact NZ-SD 3.07Å; K273-K330 PolarHBondContact NZ-O 3.38Å
274	D	94.3	Very high	95.4	Very high	7 Å²	7	12.6 Å²	12.6	4%	0.037	7%	0.066	C	C	.	.			trans	-108.5	97.3	-178	-164.2	-26.8	0	0	0	109.5	R212 T249 A271 L272 S276 V277 W355	R212-D274 WeakPolarHBondContact CD-OD2 3.22Å; R212-D274 IonicContact NH1-OD2 3.03Å; R212-D274 PolarHBondContact NH1-OD2 3.01Å; T249-D274 HydrophobicContact CG2-CB 4.07Å; A271-D274 PolarHBondContact O-N 3.2Å; A271-D274 VanDerWaalsContact O-N 3.09Å; L272-D274 PolarHBondContact O-N 2.92Å; D274-S276 PolarHBondContact O-N 3.42Å; D274-S276 VanDerWaalsContact O-N 3.16Å; D274-S276 WeakPolarHBondContact OD1-CB 3.44Å; D274-S276 PolarHBondContact OD1-N 2.9Å; D274-S276 VanDerWaalsContact OD1-N 3.08Å; D274-S276 PolarHBondContact OD1-OG 3.29Å; D274-V277 HydrophobicContact CB-CG2 4.26Å; D274-V277 WeakPolarHBondContact O-CG2 3.36Å; D274-W355 PolarHBondContact O-NE1 3.46Å
275	P	94	Very high	95.4	Very high	33 Å²	33	11.8 Å²	11.8	21%	0.214	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-13	179.6	30	-36.1	0	0	0	112.7	D60 K273	D60-P275 WeakPolarHBondContact OD2-CG 3.49Å; K273-P275 WeakPolarHBondContact O-CD 2.98Å
276	S	93.3	Very high	95.2	Very high	4 Å²	4	12 Å²	12	3%	0.028	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	5.1	-174	82.7	0	0	0	0	114.4	G59 Q211 D274 G278	G59-S276 WeakPolarHBondContact CA-OG 3.24Å; Q211-S276 WeakPolarHBondContact CB-O 3.42Å; Q211-S276 VanDerWaalsContact CG-O 3.23Å; Q211-S276 WeakPolarHBondContact CG-O 3.34Å; Q211-S276 PolarHBondContact NE2-O 3.48Å; D274-S276 PolarHBondContact O-N 3.42Å; D274-S276 VanDerWaalsContact O-N 3.16Å; D274-S276 WeakPolarHBondContact OD1-CB 3.44Å; D274-S276 PolarHBondContact OD1-N 2.9Å; D274-S276 VanDerWaalsContact OD1-N 3.08Å; D274-S276 PolarHBondContact OD1-OG 3.29Å; S276-G278 PolarHBondContact O-N 2.72Å; S276-G278 VanDerWaalsContact O-N 3.1Å
277	V	95.7	Very high	95	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.066	C	C	.	.			trans	-49.4	122.6	-178.2	172	0	0	0	0	110.4	T249 D274 L280 W355 H357 L358	T249-V277 HydrophobicContact CG2-CG2 3.64Å; D274-V277 HydrophobicContact CB-CG2 4.26Å; D274-V277 WeakPolarHBondContact O-CG2 3.36Å; V277-L280 HydrophobicContact CG1-CD2 4.04Å; V277-W355 HydrophobicContact CB-CB 4.15Å; V277-W355 HydrophobicContact CB-CD2 4.24Å; V277-W355 HydrophobicContact CB-CG 3.71Å; V277-W355 HydrophobicContact CG1-CD2 4.5Å; V277-W355 HydrophobicContact CG1-CG 4.36Å; V277-W355 HydrophobicContact CG2-CG 4.25Å; V277-H357 CarbonylContact O-C 3.6Å; V277-L358 HydrophobicContact CG1-CD1 4.41Å; V277-L358 WeakPolarHBondContact O-CA 3.05Å; V277-L358 PolarHBondContact O-N 3.35Å
278	G	94.6	Very high	94.9	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.01	7%	0.066	C	C	.	.			trans	-96.6	-28.1	-178.1	0	0	0	0	0	113.3	R212 S276 N359 L360	R212-G278 PolarHBondContact O-N 3.46Å; S276-G278 PolarHBondContact O-N 2.72Å; S276-G278 VanDerWaalsContact O-N 3.1Å; G278-N359 VanDerWaalsContact O-CG 3.26Å; G278-N359 PolarHBondContact O-N 3.38Å; G278-N359 PolarHBondContact O-ND2 2.78Å; G278-N359 PolarHBondContact O-OD1 2.86Å; G278-L360 PolarHBondContact O-N 3.1Å
279	T	96	Very high	94.8	Very high	14 Å²	14	12.9 Å²	12.9	9%	0.086	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	137.4	-173.9	-54.2	0	0	0	0	111	T213 T214 L360 L362	T213-T279 CarbonylContact C-O 3.55Å; T213-T279 WeakPolarHBondContact CA-O 3.45Å; T213-T279 HydrophobicContact CG2-CG2 4.14Å; T214-T279 PolarHBondContact N-O 3.39Å; T279-L360 VanDerWaalsContact CA-O 3.32Å; T279-L360 WeakPolarHBondContact CA-O 3.09Å; T279-L360 HydrophobicContact CG2-CB 4.29Å; T279-L362 HydrophobicContact CG2-CB 4.36Å; T279-L362 HydrophobicContact CG2-CD1 3.68Å; T279-L362 HydrophobicContact CG2-CG 3.72Å
280	L	97.6	Very high	94.4	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	129.6	163	-58.3	-178.2	0	0	0	108.3	T214 F216 V277 V288 F292 W355 L358 L360 V361 L362	T214-L280 HydrophobicContact CG2-CD2 4.29Å; T214-L280 WeakPolarHBondContact O-CA 3.34Å; F216-L280 HydrophobicContact CE2-CB 4.44Å; F216-L280 HydrophobicContact CE2-CD2 4.36Å; V277-L280 HydrophobicContact CG1-CD2 4.04Å; L280-V288 HydrophobicContact CD1-CG1 4.4Å; L280-F292 HydrophobicContact CD1-CE2 3.77Å; L280-F292 HydrophobicContact CD1-CZ 3.86Å; L280-W355 HydrophobicContact CD1-CZ3 4.39Å; L280-W355 HydrophobicContact CD2-CE3 4.47Å; L280-W355 HydrophobicContact CD2-CZ3 4.22Å; L280-L358 HydrophobicContact CD1-CD2 4.11Å; L280-L358 HydrophobicContact CD2-CD1 4.49Å; L280-L358 HydrophobicContact CG-CD1 3.86Å; L280-L358 HydrophobicContact CG-CD2 4.25Å; L280-L360 PolarHBondContact N-O 3.02Å; L280-V361 HydrophobicContact CB-CG2 4.37Å; L280-V361 HydrophobicContact CD1-CG2 4.47Å; L280-V361 CarbonylContact O-C 3.45Å; L280-V361 WeakPolarHBondContact O-CA 3.36Å; L280-L362 PolarHBondContact O-N 3.29Å
281	E	95.1	Very high	94.4	Very high	39 Å²	39	13.8 Å²	13.8	18%	0.182	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	133.4	-176.3	-172.9	-169	152.8	0	0	111.2	T213 T214 K215 F216 L362	T213-E281 HydrophobicContact CG2-CB 3.52Å; T213-E281 WeakPolarHBondContact CG2-OE2 3.47Å; T214-E281 PolarHBondContact O-N 2.97Å; K215-E281 CarbonylContact C-O 3.49Å; K215-E281 VanDerWaalsContact CA-O 3.31Å; K215-E281 WeakPolarHBondContact CA-O 3.47Å; K215-E281 HydrophobicContact CB-CB 4.24Å; K215-E281 HydrophobicContact CD-CG 4.4Å; K215-E281 WeakPolarHBondContact CD-OE1 3.24Å; K215-E281 WeakPolarHBondContact CE-OE1 3.41Å; K215-E281 HydrophobicContact CG-CB 4.27Å; K215-E281 HydrophobicContact CG-CG 4.32Å; K215-E281 IonicContact NZ-OE1 2.7Å; K215-E281 PolarHBondContact NZ-OE1 3.46Å; F216-E281 PolarHBondContact N-O 3.32Å; E281-L362 WeakPolarHBondContact CA-O 3.22Å; E281-L362 HydrophobicContact CB-CB 4.31Å; E281-L362 HydrophobicContact CG-CB 4.1Å; E281-L362 HydrophobicContact CG-CD1 4.47Å
282	S	92.7	Very high	94.4	Very high	8 Å²	8	14 Å²	14	6%	0.056	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	165.3	165.6	-179.2	0	0	0	0	109.6	F284 T287 L362 A363	S282-F284 VanDerWaalsContact C-N 3.3Å; S282-F284 PolarHBondContact OG-N 2.73Å; S282-F284 PolarHBondContact OG-O 3.47Å; S282-T287 WeakPolarHBondContact OG-CB 3.05Å; S282-T287 PolarHBondContact OG-OG1 3.21Å; S282-L362 PolarHBondContact N-O 3.06Å; S282-A363 WeakPolarHBondContact O-CA 3.37Å
283	N	89.6	Confident	94.2	Very high	53 Å²	53	15.4 Å²	15.4	28%	0.283	8%	0.081	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	-39	169	-71.3	-8.9	0	0	0	111.5	V364 N607	N283-V364 WeakPolarHBondContact O-CB 3.32Å; N283-V364 WeakPolarHBondContact O-CG2 3.43Å; N283-V364 PolarHBondContact O-N 3.48Å; N283-N607 WeakPolarHBondContact CB-O 3.37Å; N283-N607 PolarHBondContact ND2-O 2.83Å
284	F	91.7	Very high	94.2	Very high	22 Å²	22	14.5 Å²	14.5	10%	0.096	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	144.7	-173.1	-64.3	-59.2	0	0	0	112.4	S282 S286 T287 V364 N369 K610	S282-F284 VanDerWaalsContact C-N 3.3Å; S282-F284 PolarHBondContact OG-N 2.73Å; S282-F284 PolarHBondContact OG-O 3.47Å; F284-S286 PolarHBondContact O-N 2.75Å; F284-T287 PolarHBondContact O-N 3.01Å; F284-V364 HydrophobicContact CD1-CB 3.83Å; F284-V364 HydrophobicContact CD1-CG1 4.21Å; F284-V364 HydrophobicContact CE1-CB 4.08Å; F284-V364 HydrophobicContact CE1-CG1 4.27Å; F284-V364 HydrophobicContact CE1-CG2 4.39Å; F284-N369 WeakPolarHBondContact CB-OD1 3.42Å; F284-N369 WeakPolarHBondContact CD1-ND2 3.44Å; F284-K610 HydrophobicContact CE1-CD 4.41Å; F284-K610 HydrophobicContact CE1-CG 4.44Å; F284-K610 HydrophobicContact CE2-CG 4.19Å; F284-K610 HydrophobicContact CZ-CD 4.25Å; F284-K610 HydrophobicContact CZ-CG 4.17Å
285	A	94.1	Very high	94.3	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-61.2	-31.7	178.4	0	0	0	0	0	112.3	T287 V288 F289 A363 V364 D365 N369 L376	A285-T287 VanDerWaalsContact C-N 3.29Å; A285-T287 PolarHBondContact O-N 3.36Å; A285-V288 PolarHBondContact O-N 3.26Å; A285-V288 VanDerWaalsContact O-N 3.12Å; A285-F289 PolarHBondContact O-N 3.24Å; A285-A363 HydrophobicContact CB-CB 4.38Å; A285-V364 PolarHBondContact N-O 2.77Å; A285-D365 HydrophobicContact CB-CB 4.09Å; A285-N369 HydrophobicContact CB-CB 4.39Å; A285-L376 HydrophobicContact CB-CD1 4.2Å; A285-L376 WeakPolarHBondContact O-CD1 3.38Å
286	S	91.8	Very high	94.4	Very high	8 Å²	8	15.9 Å²	15.9	6%	0.056	8%	0.083	C	C	.	.	H	α-helix	trans	-53.5	-42	174.2	52.6	0	0	0	0	113.1	F284 V288 F289 Y290 N369 Y372	F284-S286 PolarHBondContact O-N 2.75Å; S286-V288 PolarHBondContact O-N 3.1Å; S286-F289 WeakPolarHBondContact O-CB 3.35Å; S286-F289 PolarHBondContact O-N 3.16Å; S286-Y290 WeakPolarHBondContact O-CD2 3.35Å; S286-Y290 PolarHBondContact O-N 3.4Å; S286-N369 VanDerWaalsContact CB-OD1 3.29Å; S286-N369 WeakPolarHBondContact CB-OD1 3.3Å; S286-N369 PolarHBondContact N-OD1 3.25Å; S286-N369 PolarHBondContact OG-OD1 3.3Å; S286-Y372 VanDerWaalsContact CB-CD2 3.44Å
287	T	93.1	Very high	94.5	Very high	9 Å²	9	20.9 Å²	20.9	6%	0.055	11%	0.106	C	C	.	.	H	α-helix	trans	-64.5	-41.3	178.2	-46.2	0	0	0	0	111.9	F216 Y218 S282 F284 A285 F289 Y290 A291	F216-T287 HydrophobicContact CB-CG2 3.82Å; Y218-T287 HydrophobicContact CE2-CG2 3.73Å; S282-T287 WeakPolarHBondContact OG-CB 3.05Å; S282-T287 PolarHBondContact OG-OG1 3.21Å; F284-T287 PolarHBondContact O-N 3.01Å; A285-T287 VanDerWaalsContact C-N 3.29Å; A285-T287 PolarHBondContact O-N 3.36Å; T287-F289 VanDerWaalsContact C-N 3.33Å; T287-Y290 PolarHBondContact O-N 3.3Å; T287-A291 WeakPolarHBondContact O-CB 3.23Å; T287-A291 PolarHBondContact O-N 2.96Å
288	V	96.5	Very high	94.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-65.3	-41.9	176.4	-176.7	0	0	0	0	109.7	F216 L280 A285 S286 A291 F292 V361 L376	F216-V288 HydrophobicContact CD2-CG2 4.16Å; F216-V288 HydrophobicContact CE2-CG1 4.36Å; F216-V288 HydrophobicContact CE2-CG2 4.44Å; L280-V288 HydrophobicContact CD1-CG1 4.4Å; A285-V288 PolarHBondContact O-N 3.26Å; A285-V288 VanDerWaalsContact O-N 3.12Å; S286-V288 PolarHBondContact O-N 3.1Å; V288-A291 WeakPolarHBondContact O-CB 3.38Å; V288-A291 PolarHBondContact O-N 3.15Å; V288-F292 HydrophobicContact CG1-CD2 4.05Å; V288-F292 HydrophobicContact CG1-CE2 3.9Å; V288-F292 WeakPolarHBondContact O-CD2 3.48Å; V288-F292 PolarHBondContact O-N 3.5Å; V288-F292 VanDerWaalsContact O-N 3.08Å; V288-V361 HydrophobicContact CG1-CG1 4.49Å; V288-V361 HydrophobicContact CG2-CG1 4.44Å; V288-L376 HydrophobicContact CB-CD1 3.89Å; V288-L376 HydrophobicContact CG1-CD1 3.99Å; V288-L376 HydrophobicContact CG1-CD2 3.98Å
289	F	94.8	Very high	94.7	Very high	16 Å²	16	24.3 Å²	24.3	7%	0.07	12%	0.118	C	C	.	.	H	α-helix	trans	-58.6	-51.8	175.3	175.6	-98.6	0	0	0	112	A285 S286 T287 A291 F292 T293 Y372 M375 L376 Y380	A285-F289 PolarHBondContact O-N 3.24Å; S286-F289 WeakPolarHBondContact O-CB 3.35Å; S286-F289 PolarHBondContact O-N 3.16Å; T287-F289 VanDerWaalsContact C-N 3.33Å; F289-A291 PolarHBondContact O-N 3.42Å; F289-F292 PolarHBondContact O-N 2.93Å; F289-F292 VanDerWaalsContact O-N 3.1Å; F289-T293 PolarHBondContact O-N 3.2Å; F289-T293 PolarHBondContact O-OG1 3.34Å; F289-Y372 HydrophobicContact CB-CD1 4.32Å; F289-Y372 AromaticContact CD1-CD1 3.65Å; F289-Y372 HydrophobicContact CD1-CD1 3.65Å; F289-Y372 HydrophobicContact CD1-CE1 4.23Å; F289-Y372 HydrophobicContact CE1-CD1 4.16Å; F289-Y372 HydrophobicContact CE1-CE1 4.5Å; F289-Y372 AromaticContact CG-CD1 3.99Å; F289-Y372 HydrophobicContact CG-CD1 3.99Å; F289-M375 HydrophobicContact CD2-CB 4.11Å; F289-M375 HydrophobicContact CE2-CB 3.93Å; F289-M375 HydrophobicContact CE2-CE 3.51Å; F289-M375 HydrophobicContact CE2-SD 3.89Å; F289-M375 HydrophobicContact CZ-CE 3.43Å; F289-M375 VanDerWaalsContact CZ-CE 3.43Å; F289-M375 HydrophobicContact CZ-SD 3.97Å; F289-L376 HydrophobicContact CB-CD1 4.17Å; F289-L376 HydrophobicContact CB-CD2 4.32Å; F289-L376 HydrophobicContact CB-CG 4.1Å; F289-L376 HydrophobicContact CD2-CG 4.43Å; F289-Y380 HydrophobicContact CD2-CE2 4.19Å; F289-Y380 HydrophobicContact CE2-CE2 4.03Å
290	Y	91.3	Very high	94.8	Very high	39 Å²	39	28 Å²	28	15%	0.153	14%	0.135	C	C	.	.	H	α-helix	trans	-64.5	-29.1	177.4	-65.6	-51.3	0	0	0	112.9	S286 T287 T293 A294 Y372	S286-Y290 WeakPolarHBondContact O-CD2 3.35Å; S286-Y290 PolarHBondContact O-N 3.4Å; T287-Y290 PolarHBondContact O-N 3.3Å; Y290-T293 PolarHBondContact O-N 3.25Å; Y290-A294 WeakPolarHBondContact O-CB 3.34Å; Y290-A294 PolarHBondContact O-N 3.35Å; Y290-Y372 PolarHBondContact OH-OH 3.37Å
291	A	96.4	Very high	94.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.3	-43.2	171.7	0	0	0	0	0	112	F216 L264 L268 T287 V288 F289 A294 L295	F216-A291 HydrophobicContact CD1-CB 3.83Å; F216-A291 HydrophobicContact CD2-CB 4.44Å; F216-A291 HydrophobicContact CE1-CB 3.53Å; F216-A291 HydrophobicContact CE2-CB 4.17Å; F216-A291 HydrophobicContact CG-CB 4.28Å; F216-A291 HydrophobicContact CZ-CB 3.71Å; L264-A291 HydrophobicContact CD1-CB 3.69Å; L268-A291 HydrophobicContact CD2-CB 4.4Å; T287-A291 WeakPolarHBondContact O-CB 3.23Å; T287-A291 PolarHBondContact O-N 2.96Å; V288-A291 WeakPolarHBondContact O-CB 3.38Å; V288-A291 PolarHBondContact O-N 3.15Å; F289-A291 PolarHBondContact O-N 3.42Å; A291-A294 PolarHBondContact O-N 2.9Å; A291-L295 WeakPolarHBondContact O-CB 3.37Å; A291-L295 PolarHBondContact O-N 3.45Å
292	F	97.6	Very high	95	Very high	4 Å²	4	28.6 Å²	28.6	2%	0.018	14%	0.138	C	C	.	.	H	α-helix	trans	-69.8	-36.4	174.7	-82.7	-75.9	0	0	0	113	L280 V288 F289 L295 Q296 I350 A351 W355 L376 Y380	L280-F292 HydrophobicContact CD1-CE2 3.77Å; L280-F292 HydrophobicContact CD1-CZ 3.86Å; V288-F292 HydrophobicContact CG1-CD2 4.05Å; V288-F292 HydrophobicContact CG1-CE2 3.9Å; V288-F292 WeakPolarHBondContact O-CD2 3.48Å; V288-F292 PolarHBondContact O-N 3.5Å; V288-F292 VanDerWaalsContact O-N 3.08Å; F289-F292 PolarHBondContact O-N 2.93Å; F289-F292 VanDerWaalsContact O-N 3.1Å; F292-L295 HydrophobicContact CD1-CD2 4.05Å; F292-L295 HydrophobicContact CE1-CD2 4.28Å; F292-L295 WeakPolarHBondContact O-CB 3.47Å; F292-L295 PolarHBondContact O-N 2.83Å; F292-Q296 WeakPolarHBondContact O-CB 3.38Å; F292-Q296 PolarHBondContact O-N 2.86Å; F292-I350 HydrophobicContact CD1-CG2 4.02Å; F292-I350 HydrophobicContact CE1-CG2 3.89Å; F292-A351 HydrophobicContact CE1-CB 4.08Å; F292-A351 HydrophobicContact CZ-CB 3.65Å; F292-W355 HydrophobicContact CE1-CZ3 4.28Å; F292-W355 HydrophobicContact CZ-CZ3 4.04Å; F292-L376 HydrophobicContact CD2-CD2 3.73Å; F292-L376 HydrophobicContact CE2-CD2 4.24Å; F292-Y380 HydrophobicContact CB-CD1 3.76Å; F292-Y380 HydrophobicContact CB-CD2 3.57Å; F292-Y380 HydrophobicContact CB-CE1 3.89Å; F292-Y380 HydrophobicContact CB-CE2 3.69Å; F292-Y380 HydrophobicContact CB-CG 3.58Å; F292-Y380 AromaticContact CD1-CD1 3.82Å; F292-Y380 HydrophobicContact CD1-CD1 3.82Å; F292-Y380 AromaticContact CD1-CG 3.86Å; F292-Y380 HydrophobicContact CD1-CG 3.86Å; F292-Y380 HydrophobicContact CD2-CG 4.31Å; F292-Y380 AromaticContact CG-CD1 3.98Å; F292-Y380 HydrophobicContact CG-CD1 3.98Å; F292-Y380 HydrophobicContact CG-CD2 4.04Å; F292-Y380 AromaticContact CG-CG 3.66Å; F292-Y380 HydrophobicContact CG-CG 3.66Å
293	T	93.1	Very high	95.2	Very high	30 Å²	30	28.3 Å²	28.3	18%	0.184	14%	0.135	C	C	.	.	H	α-helix	trans	-62	-45.8	172.7	-57.4	0	0	0	0	111	F289 Y290 L295 Q296 E297	F289-T293 PolarHBondContact O-N 3.2Å; F289-T293 PolarHBondContact O-OG1 3.34Å; Y290-T293 PolarHBondContact O-N 3.25Å; T293-L295 VanDerWaalsContact C-N 3.32Å; T293-L295 PolarHBondContact O-N 2.74Å; T293-Q296 PolarHBondContact O-N 2.64Å; T293-E297 WeakPolarHBondContact O-CG 3.04Å; T293-E297 PolarHBondContact O-N 2.89Å
294	A	94.1	Very high	95.6	Very high	17 Å²	17	30.5 Å²	30.5	14%	0.14	14%	0.144	C	C	.	.	H	α-helix	trans	-64.5	-37.2	175.7	0	0	0	0	0	112.3	L264 L268 Y290 A291 E297 R298	L264-A294 HydrophobicContact CD2-CB 3.72Å; L264-A294 HydrophobicContact CG-CB 4.48Å; L268-A294 HydrophobicContact CD1-CB 4.33Å; Y290-A294 WeakPolarHBondContact O-CB 3.34Å; Y290-A294 PolarHBondContact O-N 3.35Å; A291-A294 PolarHBondContact O-N 2.9Å; A294-E297 PolarHBondContact O-N 2.77Å; A294-R298 WeakPolarHBondContact O-CB 3.38Å; A294-R298 PolarHBondContact O-N 3.44Å
295	L	97.6	Very high	96	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-60.3	-46.7	172.4	-180	62.3	0	0	0	110.6	L268 L272 A291 F292 T293 E297 R298 W299 L302 F343 L354	L268-L295 HydrophobicContact CD1-CB 4.1Å; L268-L295 HydrophobicContact CD2-CB 4.22Å; L272-L295 HydrophobicContact CD1-CD1 3.88Å; L272-L295 HydrophobicContact CD2-CD1 4.39Å; A291-L295 WeakPolarHBondContact O-CB 3.37Å; A291-L295 PolarHBondContact O-N 3.45Å; F292-L295 HydrophobicContact CD1-CD2 4.05Å; F292-L295 HydrophobicContact CE1-CD2 4.28Å; F292-L295 WeakPolarHBondContact O-CB 3.47Å; F292-L295 PolarHBondContact O-N 2.83Å; T293-L295 VanDerWaalsContact C-N 3.32Å; T293-L295 PolarHBondContact O-N 2.74Å; L295-E297 VanDerWaalsContact C-N 3.32Å; L295-E297 PolarHBondContact O-N 2.94Å; L295-R298 PolarHBondContact O-N 2.89Å; L295-W299 WeakPolarHBondContact O-CA 3.35Å; L295-W299 VanDerWaalsContact O-CB 3.26Å; L295-W299 WeakPolarHBondContact O-CB 3.38Å; L295-W299 PolarHBondContact O-N 2.67Å; L295-L302 HydrophobicContact CD1-CD1 3.57Å; L295-F343 HydrophobicContact CD1-CE1 4.16Å; L295-F343 HydrophobicContact CD1-CZ 3.84Å; L295-F343 HydrophobicContact CD2-CE1 4.07Å; L295-F343 HydrophobicContact CD2-CZ 4.3Å; L295-F343 HydrophobicContact CG-CE1 3.98Å; L295-F343 HydrophobicContact CG-CZ 4.17Å; L295-L354 HydrophobicContact CD2-CD1 3.75Å
296	Q	96.2	Very high	96.1	Very high	69 Å²	69	30 Å²	30	32%	0.322	14%	0.143	S	C	.	.	H	α-helix	trans	-63	-36.8	177.9	179.8	171.4	-41.6	0	0	112.8	F292 T293 F347 Y380	F292-Q296 WeakPolarHBondContact O-CB 3.38Å; F292-Q296 PolarHBondContact O-N 2.86Å; T293-Q296 PolarHBondContact O-N 2.64Å; Q296-F347 VanDerWaalsContact CA-CE1 3.42Å; Q296-F347 VanDerWaalsContact CA-CZ 3.5Å; Q296-F347 HydrophobicContact CB-CD1 3.83Å; Q296-F347 HydrophobicContact CB-CD2 4.47Å; Q296-F347 HydrophobicContact CB-CE1 3.53Å; Q296-F347 HydrophobicContact CB-CE2 4.23Å; Q296-F347 HydrophobicContact CB-CG 4.31Å; Q296-F347 HydrophobicContact CB-CZ 3.77Å; Q296-F347 HydrophobicContact CG-CD1 4.1Å; Q296-F347 HydrophobicContact CG-CD2 3.84Å; Q296-F347 HydrophobicContact CG-CE1 3.91Å; Q296-F347 HydrophobicContact CG-CE2 3.65Å; Q296-F347 HydrophobicContact CG-CG 4.09Å; Q296-F347 HydrophobicContact CG-CZ 3.69Å; Q296-Y380 PolarHBondContact OE1-OH 3.41Å
297	E	94.9	Very high	96.5	Very high	109 Å²	109	32.4 Å²	32.4	51%	0.509	15%	0.153	S	C	.	.	H	α-helix	trans	-70.9	-31.1	177	-71.7	170.5	-171.9	0	0	112.9	T293 A294 L295 K592	T293-E297 WeakPolarHBondContact O-CG 3.04Å; T293-E297 PolarHBondContact O-N 2.89Å; A294-E297 PolarHBondContact O-N 2.77Å; L295-E297 VanDerWaalsContact C-N 3.32Å; L295-E297 PolarHBondContact O-N 2.94Å; E297-K592 IonicContact OE1-NZ 2.63Å; E297-K592 PolarHBondContact OE1-NZ 2.92Å; E297-K592 IonicContact OE2-NZ 3.31Å; E297-K592 PolarHBondContact OE2-NZ 3.27Å
298	R	96.3	Very high	96.7	Very high	42 Å²	42	40.2 Å²	40.2	16%	0.158	18%	0.181	C	C	.	.	H	α-helix	trans	-127.2	17	-167	-59.9	-177	69.2	-176.6	4.5	115	A294 L295 Q300 E301 L302 S314	A294-R298 WeakPolarHBondContact O-CB 3.38Å; A294-R298 PolarHBondContact O-N 3.44Å; L295-R298 PolarHBondContact O-N 2.89Å; R298-Q300 VanDerWaalsContact C-N 3.28Å; R298-Q300 PolarHBondContact O-N 3Å; R298-E301 IonicContact CZ-OE2 3.01Å; R298-E301 IonicContact NE-OE2 2.65Å; R298-E301 PolarHBondContact NE-OE2 3.24Å; R298-E301 IonicContact NH2-OE1 3.31Å; R298-E301 PolarHBondContact NH2-OE1 3.14Å; R298-E301 IonicContact NH2-OE2 3.7Å; R298-E301 PolarHBondContact NH2-OE2 3.29Å; R298-E301 PolarHBondContact O-N 3.31Å; R298-L302 PolarHBondContact O-N 3.36Å; R298-L302 VanDerWaalsContact O-N 3.11Å; R298-S314 PolarHBondContact NH2-OG 2.8Å
299	W	97.9	Very high	96.7	Very high	31 Å²	31	40.9 Å²	40.9	12%	0.117	19%	0.188	C	C	.	.	H	α-helix	trans	-62.3	-34.8	-173.2	72	-92	0	0	0	112.7	L295 L302 V303 R340 F343 H344 F347	L295-W299 WeakPolarHBondContact O-CA 3.35Å; L295-W299 VanDerWaalsContact O-CB 3.26Å; L295-W299 WeakPolarHBondContact O-CB 3.38Å; L295-W299 PolarHBondContact O-N 2.67Å; W299-L302 PolarHBondContact O-N 3.37Å; W299-V303 HydrophobicContact CE3-CG2 4.07Å; W299-V303 WeakPolarHBondContact O-CB 3.41Å; W299-V303 VanDerWaalsContact O-CG2 3.23Å; W299-V303 WeakPolarHBondContact O-CG2 3.39Å; W299-V303 PolarHBondContact O-N 3.09Å; W299-R340 HydrophobicContact CZ3-CG 4.25Å; W299-F343 HydrophobicContact CB-CD1 3.93Å; W299-F343 HydrophobicContact CB-CD2 3.86Å; W299-F343 HydrophobicContact CB-CE1 3.92Å; W299-F343 HydrophobicContact CB-CE2 3.86Å; W299-F343 HydrophobicContact CB-CG 3.92Å; W299-F343 HydrophobicContact CB-CZ 3.91Å; W299-F343 HydrophobicContact CD2-CB 3.61Å; W299-F343 HydrophobicContact CD2-CD1 4.42Å; W299-F343 AromaticContact CD2-CD2 3.8Å; W299-F343 HydrophobicContact CD2-CD2 3.8Å; W299-F343 AromaticContact CD2-CG 3.7Å; W299-F343 HydrophobicContact CD2-CG 3.7Å; W299-F343 HydrophobicContact CE3-CB 3.66Å; W299-F343 AromaticContact CE3-CD2 3.38Å; W299-F343 HydrophobicContact CE3-CD2 3.38Å; W299-F343 HydrophobicContact CE3-CE2 4.25Å; W299-F343 AromaticContact CE3-CG 3.72Å; W299-F343 HydrophobicContact CE3-CG 3.72Å; W299-F343 HydrophobicContact CG-CB 4.11Å; W299-F343 HydrophobicContact CG-CD1 4.07Å; W299-F343 HydrophobicContact CG-CD2 4.05Å; W299-F343 AromaticContact CG-CG 3.82Å; W299-F343 HydrophobicContact CG-CG 3.82Å; W299-F343 HydrophobicContact CH2-CB 4.26Å; W299-F343 HydrophobicContact CZ2-CB 4.24Å; W299-F343 HydrophobicContact CZ3-CB 4Å; W299-F343 HydrophobicContact CZ3-CD2 4.16Å; W299-F343 HydrophobicContact CZ3-CG 4.46Å; W299-H344 AromaticContact CH2-CE1 3.93Å; W299-H344 AromaticContact CH2-NE2 3.85Å; W299-F347 AromaticContact CD1-CZ 3.85Å; W299-F347 HydrophobicContact CG-CZ 4.37Å
300	Q	98.1	Very high	96.8	Very high	92 Å²	92	42.9 Å²	42.9	43%	0.43	20%	0.202	S	C	.	.	H	α-helix	trans	-60.5	-50.9	179.8	-64.4	92.5	-26.4	0	0	110.9	R298 L302 V303 E304	R298-Q300 VanDerWaalsContact C-N 3.28Å; R298-Q300 PolarHBondContact O-N 3Å; Q300-L302 PolarHBondContact O-N 2.93Å; Q300-V303 PolarHBondContact O-N 3.25Å; Q300-E304 WeakPolarHBondContact O-CG 3.31Å; Q300-E304 PolarHBondContact O-N 3.29Å
301	E	97.9	Very high	97	Very high	51 Å²	51	41.4 Å²	41.4	24%	0.238	20%	0.196	C	C	.	.	H	α-helix	trans	-60.2	-44.3	178.2	-172.9	-170.4	-178.2	0	0	111.5	Y265 R298 V303 E304 D305 S312 S314	Y265-E301 HydrophobicContact CE2-CG 4.21Å; Y265-E301 PolarHBondContact OH-O 3.42Å; R298-E301 IonicContact CZ-OE2 3.01Å; R298-E301 IonicContact NE-OE2 2.65Å; R298-E301 PolarHBondContact NE-OE2 3.24Å; R298-E301 IonicContact NH2-OE1 3.31Å; R298-E301 PolarHBondContact NH2-OE1 3.14Å; R298-E301 IonicContact NH2-OE2 3.7Å; R298-E301 PolarHBondContact NH2-OE2 3.29Å; R298-E301 PolarHBondContact O-N 3.31Å; E301-V303 VanDerWaalsContact C-N 3.34Å; E301-V303 PolarHBondContact O-N 3.14Å; E301-E304 PolarHBondContact O-N 2.86Å; E301-D305 PolarHBondContact O-N 3.41Å; E301-D305 VanDerWaalsContact O-N 3.1Å; E301-S312 WeakPolarHBondContact OE1-CB 3.44Å; E301-S312 PolarHBondContact OE1-OG 3.47Å; E301-S314 PolarHBondContact OE1-OG 3.01Å
302	L	98.4	Very high	97	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-61.1	-42.1	177.3	-76.7	163.9	0	0	0	112.1	Y265 L268 L269 L272 L295 R298 W299 Q300 D305 V306	Y265-L302 HydrophobicContact CD1-CD2 4.2Å; Y265-L302 HydrophobicContact CD2-CD2 3.77Å; Y265-L302 HydrophobicContact CD2-CG 4.18Å; Y265-L302 HydrophobicContact CE1-CD2 3.88Å; Y265-L302 HydrophobicContact CE2-CD2 3.45Å; Y265-L302 VanDerWaalsContact CE2-CD2 3.45Å; Y265-L302 HydrophobicContact CE2-CG 3.65Å; Y265-L302 HydrophobicContact CG-CD2 4.15Å; Y265-L302 VanDerWaalsContact CZ-CD2 3.49Å; L268-L302 HydrophobicContact CB-CD1 4.13Å; L268-L302 HydrophobicContact CB-CD2 4.25Å; L268-L302 HydrophobicContact CD1-CD1 4.32Å; L269-L302 HydrophobicContact CB-CD2 3.84Å; L269-L302 HydrophobicContact CD1-CD2 4.32Å; L272-L302 HydrophobicContact CD1-CB 3.87Å; L272-L302 HydrophobicContact CD1-CD1 4.11Å; L272-L302 HydrophobicContact CD1-CG 4.4Å; L295-L302 HydrophobicContact CD1-CD1 3.57Å; R298-L302 PolarHBondContact O-N 3.36Å; R298-L302 VanDerWaalsContact O-N 3.11Å; W299-L302 PolarHBondContact O-N 3.37Å; Q300-L302 PolarHBondContact O-N 2.93Å; L302-D305 PolarHBondContact O-N 3.14Å; L302-V306 WeakPolarHBondContact O-CG2 3.44Å; L302-V306 PolarHBondContact O-N 3.47Å
303	V	98.5	Very high	96.7	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.006	24%	0.238	C	C	.	.	H	α-helix	trans	-71.1	-37.6	-179.1	171.4	0	0	0	0	111.8	W299 Q300 E301 D305 V306 E307 A336 L339 R340 F343	W299-V303 HydrophobicContact CE3-CG2 4.07Å; W299-V303 WeakPolarHBondContact O-CB 3.41Å; W299-V303 VanDerWaalsContact O-CG2 3.23Å; W299-V303 WeakPolarHBondContact O-CG2 3.39Å; W299-V303 PolarHBondContact O-N 3.09Å; Q300-V303 PolarHBondContact O-N 3.25Å; E301-V303 VanDerWaalsContact C-N 3.34Å; E301-V303 PolarHBondContact O-N 3.14Å; V303-D305 VanDerWaalsContact C-N 3.33Å; V303-V306 PolarHBondContact O-N 2.9Å; V303-E307 PolarHBondContact O-N 2.84Å; V303-A336 HydrophobicContact CG1-CB 3.89Å; V303-A336 WeakPolarHBondContact CG1-O 3.33Å; V303-L339 HydrophobicContact CG2-CB 3.72Å; V303-L339 HydrophobicContact CG2-CD1 4.23Å; V303-R340 HydrophobicContact CG1-CG 3.58Å; V303-F343 HydrophobicContact CG2-CD2 3.93Å; V303-F343 HydrophobicContact CG2-CE2 3.67Å
304	E	98.3	Very high	96.7	Very high	100 Å²	100	48.9 Å²	48.9	47%	0.467	25%	0.25	S	S	.	.	H	α-helix	trans	-60.4	-42.2	172.6	-73.9	173.2	-167.5	0	0	111.8	Q300 E301 E307 R308	Q300-E304 WeakPolarHBondContact O-CG 3.31Å; Q300-E304 PolarHBondContact O-N 3.29Å; E301-E304 PolarHBondContact O-N 2.86Å; E304-E307 PolarHBondContact O-N 3.14Å; E304-R308 WeakPolarHBondContact O-CB 3.19Å; E304-R308 WeakPolarHBondContact O-CG 3.47Å; E304-R308 PolarHBondContact O-N 3.13Å
305	D	98.2	Very high	96.7	Very high	12 Å²	12	48.3 Å²	48.3	6%	0.064	25%	0.245	C	C	.	.	H	α-helix	trans	-67.6	-33.7	176.2	-91.4	-11.1	0	0	0	113	Y265 L269 E301 L302 V303 G309 T310 I311 S312	Y265-D305 PolarHBondContact OH-OD2 2.88Å; L269-D305 HydrophobicContact CD1-CB 3.89Å; E301-D305 PolarHBondContact O-N 3.41Å; E301-D305 VanDerWaalsContact O-N 3.1Å; L302-D305 PolarHBondContact O-N 3.14Å; V303-D305 VanDerWaalsContact C-N 3.33Å; D305-G309 VanDerWaalsContact O-CA 3.27Å; D305-G309 WeakPolarHBondContact O-CA 3.37Å; D305-G309 PolarHBondContact O-N 3.26Å; D305-T310 VanDerWaalsContact CB-O 3.28Å; D305-T310 WeakPolarHBondContact CB-O 3.47Å; D305-T310 PolarHBondContact O-N 3.47Å; D305-T310 VanDerWaalsContact O-N 3.08Å; D305-T310 PolarHBondContact OD1-OG1 2.8Å; D305-I311 WeakPolarHBondContact OD2-CA 3.28Å; D305-S312 WeakPolarHBondContact OD2-CA 3.35Å; D305-S312 WeakPolarHBondContact OD2-CB 3.42Å; D305-S312 PolarHBondContact OD2-N 2.95Å
306	V	98.1	Very high	96.5	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63.8	-48.2	169.9	173	0	0	0	0	110.7	L269 L272 K273 L302 V303 G309 D332 R335 A336 L339	L269-V306 HydrophobicContact CD1-CG2 3.79Å; L272-V306 HydrophobicContact CB-CG2 4.5Å; K273-V306 HydrophobicContact CG-CG1 4.37Å; K273-V306 HydrophobicContact CG-CG2 3.83Å; L302-V306 WeakPolarHBondContact O-CG2 3.44Å; L302-V306 PolarHBondContact O-N 3.47Å; V303-V306 PolarHBondContact O-N 2.9Å; V306-G309 PolarHBondContact O-N 3.4Å; V306-D332 HydrophobicContact CG1-CB 4.2Å; V306-D332 PolarHBondContact O-N 3.01Å; V306-D332 VanDerWaalsContact O-N 3.07Å; V306-R335 HydrophobicContact CG1-CB 4.26Å; V306-R335 HydrophobicContact CG1-CG 4.14Å; V306-A336 HydrophobicContact CG1-CB 4.3Å; V306-L339 HydrophobicContact CG1-CD1 4.34Å; V306-L339 HydrophobicContact CG2-CD1 4.28Å
307	E	98.4	Very high	96.4	Very high	58 Å²	58	51.6 Å²	51.6	27%	0.271	27%	0.269	S	S	.	.	H	α-helix	trans	-61	-49.9	-178.2	-177.2	171.3	-113.8	0	0	111.8	V303 E304 P331 D332 A333 A336 R340	V303-E307 PolarHBondContact O-N 2.84Å; E304-E307 PolarHBondContact O-N 3.14Å; E307-P331 VanDerWaalsContact O-CA 3.28Å; E307-P331 WeakPolarHBondContact O-CA 3.26Å; E307-P331 VanDerWaalsContact O-CB 3.29Å; E307-P331 WeakPolarHBondContact O-CB 3.42Å; E307-D332 PolarHBondContact O-N 3.3Å; E307-A333 HydrophobicContact CG-CB 4.32Å; E307-A336 HydrophobicContact CB-CB 3.56Å; E307-A336 HydrophobicContact CG-CB 4.24Å; E307-R340 IonicContact OE1-CZ 3.17Å; E307-R340 IonicContact OE1-NH1 2.81Å; E307-R340 PolarHBondContact OE1-NH1 3.12Å; E307-R340 IonicContact OE1-NH2 2.74Å; E307-R340 PolarHBondContact OE1-NH2 2.93Å; E307-R340 IonicContact OE2-CZ 3.85Å; E307-R340 IonicContact OE2-NH2 3.81Å; E307-R340 PolarHBondContact OE2-NH2 3.2Å
308	R	97.8	Very high	96.4	Very high	172 Å²	172	52.7 Å²	52.7	65%	0.649	27%	0.274	S	S	*	.	H	α-helix	trans	-82.4	-16.2	-176.1	-64.9	178.9	-177.9	-108.1	0.8	113.2	E304 T310	E304-R308 WeakPolarHBondContact O-CB 3.19Å; E304-R308 WeakPolarHBondContact O-CG 3.47Å; E304-R308 PolarHBondContact O-N 3.13Å; R308-T310 HydrophobicContact CB-CG2 4Å
309	G	96.8	Very high	96.4	Very high	14 Å²	14	55.8 Å²	55.8	14%	0.144	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.1	39.5	-172.9	0	0	0	0	0	112.2	D305 V306 M329	D305-G309 VanDerWaalsContact O-CA 3.27Å; D305-G309 WeakPolarHBondContact O-CA 3.37Å; D305-G309 PolarHBondContact O-N 3.26Å; V306-G309 PolarHBondContact O-N 3.4Å; G309-M329 WeakPolarHBondContact O-CB 3.44Å
310	T	96.2	Very high	96.3	Very high	59 Å²	59	62 Å²	62	36%	0.362	33%	0.328	S	S	.	.			trans	-117.6	170.9	-177.9	51	0	0	0	0	111.4	D305 R308 M329	D305-T310 VanDerWaalsContact CB-O 3.28Å; D305-T310 WeakPolarHBondContact CB-O 3.47Å; D305-T310 PolarHBondContact O-N 3.47Å; D305-T310 VanDerWaalsContact O-N 3.08Å; D305-T310 PolarHBondContact OD1-OG1 2.8Å; R308-T310 HydrophobicContact CB-CG2 4Å; T310-M329 WeakPolarHBondContact O-CE 3.43Å
311	I	96.4	Very high	96.1	Very high	7 Å²	7	57.8 Å²	57.8	4%	0.036	31%	0.308	C	S	.	.			trans	-123.4	125.4	169.7	-59.8	179	0	0	0	107.7	L266 L269 D305 S313 L315 L317 R322 L325 E326 M329	L266-I311 HydrophobicContact CD2-CD1 4.32Å; L266-I311 HydrophobicContact CD2-CG2 4.18Å; L269-I311 HydrophobicContact CD2-CG1 4.25Å; D305-I311 WeakPolarHBondContact OD2-CA 3.28Å; I311-S313 PolarHBondContact O-N 3.12Å; I311-L315 HydrophobicContact CG2-CD2 4.03Å; I311-L317 HydrophobicContact CG2-CD1 4.13Å; I311-R322 PolarHBondContact O-NH1 2.9Å; I311-L325 HydrophobicContact CD1-CB 3.33Å; I311-L325 HydrophobicContact CD1-CD1 4.43Å; I311-L325 HydrophobicContact CD1-CG 4.44Å; I311-E326 HydrophobicContact CB-CG 4.34Å; I311-E326 HydrophobicContact CD1-CG 4.08Å; I311-E326 HydrophobicContact CG1-CG 4.21Å; I311-M329 HydrophobicContact CD1-CG 4.12Å; I311-M329 HydrophobicContact CG1-CG 3.92Å
312	S	95.3	Very high	96	Very high	15 Å²	15	57.5 Å²	57.5	11%	0.105	31%	0.305	C	S	.	.			trans	-46.2	132.8	-176.2	169.4	0	0	0	0	112.4	E301 D305 S314 L315 R322	E301-S312 WeakPolarHBondContact OE1-CB 3.44Å; E301-S312 PolarHBondContact OE1-OG 3.47Å; D305-S312 WeakPolarHBondContact OD2-CA 3.35Å; D305-S312 WeakPolarHBondContact OD2-CB 3.42Å; D305-S312 PolarHBondContact OD2-N 2.95Å; S312-S314 PolarHBondContact O-N 2.89Å; S312-S314 WeakPolarHBondContact OG-CB 3.42Å; S312-S314 PolarHBondContact OG-N 2.72Å; S312-S314 PolarHBondContact OG-OG 3.02Å; S312-L315 PolarHBondContact O-N 3.06Å; S312-R322 PolarHBondContact O-NH2 3.44Å
313	S	93.1	Very high	95.9	Very high	114 Å²	114	61 Å²	61	80%	0.797	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-14.2	177.4	55.1	0	0	0	0	112.5	I311 L315	I311-S313 PolarHBondContact O-N 3.12Å; S313-L315 PolarHBondContact O-N 2.88Å
314	S	92.8	Very high	95.8	Very high	62 Å²	62	65.5 Å²	65.5	43%	0.434	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-18.7	175.9	73.9	0	0	0	0	113.5	R298 E301 S312	R298-S314 PolarHBondContact NH2-OG 2.8Å; E301-S314 PolarHBondContact OE1-OG 3.01Å; S312-S314 PolarHBondContact O-N 2.89Å; S312-S314 WeakPolarHBondContact OG-CB 3.42Å; S312-S314 PolarHBondContact OG-N 2.72Å; S312-S314 PolarHBondContact OG-OG 3.02Å
315	L	93.7	Very high	95.7	Very high	5 Å²	5	60.8 Å²	60.8	3%	0.026	32%	0.324	C	S	.	.	S	Bend	trans	-78.2	127.3	176.9	-80.6	64.3	0	0	0	110.2	D262 Y265 L266 I311 S312 S313 L317 R322	D262-L315 HydrophobicContact CB-CB 4.38Å; D262-L315 HydrophobicContact CB-CD2 4.2Å; D262-L315 HydrophobicContact CB-CG 3.94Å; Y265-L315 HydrophobicContact CD1-CD1 3.82Å; Y265-L315 HydrophobicContact CD1-CD2 3.63Å; Y265-L315 HydrophobicContact CD1-CG 4.31Å; Y265-L315 HydrophobicContact CD2-CD1 4.48Å; Y265-L315 HydrophobicContact CE1-CD1 4.1Å; Y265-L315 HydrophobicContact CE1-CD2 4.32Å; Y265-L315 HydrophobicContact CG-CD1 4.02Å; Y265-L315 HydrophobicContact CG-CD2 4.23Å; L266-L315 HydrophobicContact CD2-CD2 4.01Å; L266-L315 HydrophobicContact CG-CD2 3.99Å; I311-L315 HydrophobicContact CG2-CD2 4.03Å; S312-L315 PolarHBondContact O-N 3.06Å; S313-L315 PolarHBondContact O-N 2.88Å; L315-L317 HydrophobicContact CB-CD1 4.15Å; L315-L317 HydrophobicContact CB-CD2 4.16Å; L315-L317 HydrophobicContact CB-CG 3.84Å; L315-L317 HydrophobicContact CD2-CD1 4.35Å; L315-L317 HydrophobicContact CD2-CD2 4.46Å; L315-L317 PolarHBondContact O-N 3.1Å; L315-L317 VanDerWaalsContact O-N 3.13Å; L315-R322 PolarHBondContact O-NH2 3.11Å
316	T	92.4	Very high	95.6	Very high	118 Å²	118	63.9 Å²	63.9	72%	0.724	34%	0.338	S	S	*	.			trans	-83	90.3	175.4	-55.2	0	0	0	0	109.3
317	L	94.1	Very high	95.5	Very high	21 Å²	21	67.7 Å²	67.7	11%	0.11	37%	0.37	C	S	.	.			trans	-113.8	139.8	-177.4	-55.4	-179.4	0	0	0	110.7	V257 D262 L266 I311 L315 R322 L325	V257-L317 HydrophobicContact CB-CD2 4.49Å; V257-L317 HydrophobicContact CG1-CD2 3.85Å; V257-L317 HydrophobicContact CG2-CD2 3.75Å; D262-L317 HydrophobicContact CB-CD2 4.49Å; L266-L317 HydrophobicContact CD1-CD2 4.42Å; I311-L317 HydrophobicContact CG2-CD1 4.13Å; L315-L317 HydrophobicContact CB-CD1 4.15Å; L315-L317 HydrophobicContact CB-CD2 4.16Å; L315-L317 HydrophobicContact CB-CG 3.84Å; L315-L317 HydrophobicContact CD2-CD1 4.35Å; L315-L317 HydrophobicContact CD2-CD2 4.46Å; L315-L317 PolarHBondContact O-N 3.1Å; L315-L317 VanDerWaalsContact O-N 3.13Å; L317-R322 HydrophobicContact CB-CB 3.99Å; L317-R322 HydrophobicContact CD1-CB 4.28Å; L317-R322 HydrophobicContact CD1-CG 4.5Å; L317-L325 HydrophobicContact CD1-CD1 4.13Å
318	E	95.1	Very high	95.2	Very high	132 Å²	132	69.2 Å²	69.2	62%	0.617	38%	0.38	S	S	*	.			trans	-57.9	137.6	167.9	-68.9	-172.8	-178.5	0	0	110.2	K320 V321 R322	E318-K320 VanDerWaalsContact C-N 3.26Å; E318-K320 PolarHBondContact O-N 2.86Å; E318-K320 VanDerWaalsContact O-N 3.12Å; E318-V321 HydrophobicContact CB-CB 4.31Å; E318-V321 HydrophobicContact CB-CG2 4.09Å; E318-V321 PolarHBondContact O-N 2.87Å; E318-R322 PolarHBondContact O-N 2.84Å
319	P	95.9	Very high	95	Very high	106 Å²	106	61.8 Å²	61.8	69%	0.688	35%	0.352	S	S	*	.	H	α-helix	trans	-53	-42	-173.7	-29.6	35	0	0	0	113.7	V321 R322 S323	P319-V321 PolarHBondContact O-N 3.06Å; P319-R322 PolarHBondContact O-N 2.53Å; P319-S323 PolarHBondContact O-N 2.86Å; P319-S323 PolarHBondContact O-OG 3.31Å; P319-S323 VanDerWaalsContact O-OG 3.07Å
320	K	96	Very high	94.9	Very high	162 Å²	162	68.1 Å²	68.1	70%	0.704	38%	0.376	S	S	*	.	H	α-helix	trans	-66.6	-37.6	179.1	-172.9	179.5	-179.5	-178.7	0	112.7	E318 R324	E318-K320 VanDerWaalsContact C-N 3.26Å; E318-K320 PolarHBondContact O-N 2.86Å; E318-K320 VanDerWaalsContact O-N 3.12Å; K320-R324 WeakPolarHBondContact O-CG 3.42Å; K320-R324 PolarHBondContact O-N 2.9Å
321	V	95.3	Very high	94.9	Very high	4 Å²	4	69.9 Å²	69.9	2%	0.024	39%	0.389	C	S	.	.	H	α-helix	trans	-69.2	-46	176.6	176.3	0	0	0	0	109.4	P253 E256 V257 E318 P319 S323 R324 L325	P253-V321 HydrophobicContact CB-CG1 4.2Å; P253-V321 WeakPolarHBondContact O-CG1 3.47Å; E256-V321 HydrophobicContact CB-CG2 4.2Å; V257-V321 HydrophobicContact CG2-CG1 3.89Å; E318-V321 HydrophobicContact CB-CB 4.31Å; E318-V321 HydrophobicContact CB-CG2 4.09Å; E318-V321 PolarHBondContact O-N 2.87Å; P319-V321 PolarHBondContact O-N 3.06Å; V321-S323 PolarHBondContact O-N 3Å; V321-R324 PolarHBondContact O-N 3.03Å; V321-L325 HydrophobicContact CG1-CD1 3.84Å; V321-L325 HydrophobicContact CG1-CG 4.36Å; V321-L325 WeakPolarHBondContact O-CG 3.4Å; V321-L325 PolarHBondContact O-N 3.06Å
322	R	96.1	Very high	95	Very high	44 Å²	44	71 Å²	71	17%	0.166	40%	0.395	C	S	.	.	H	α-helix	trans	-55.3	-53	176	179.2	173.2	-82.2	-88.4	2.9	111.7	I311 S312 L315 L317 E318 P319 R324 L325 E326	I311-R322 PolarHBondContact O-NH1 2.9Å; S312-R322 PolarHBondContact O-NH2 3.44Å; L315-R322 PolarHBondContact O-NH2 3.11Å; L317-R322 HydrophobicContact CB-CB 3.99Å; L317-R322 HydrophobicContact CD1-CB 4.28Å; L317-R322 HydrophobicContact CD1-CG 4.5Å; E318-R322 PolarHBondContact O-N 2.84Å; P319-R322 PolarHBondContact O-N 2.53Å; R322-R324 VanDerWaalsContact C-N 3.28Å; R322-R324 PolarHBondContact O-N 2.8Å; R322-L325 PolarHBondContact O-N 2.95Å; R322-E326 WeakPolarHBondContact CD-OE1 3.46Å; R322-E326 VanDerWaalsContact CG-CD 3.44Å; R322-E326 HydrophobicContact CG-CG 4.17Å; R322-E326 WeakPolarHBondContact CG-OE1 3.31Å; R322-E326 IonicContact CZ-OE1 2.91Å; R322-E326 IonicContact NH1-OE1 2.7Å; R322-E326 PolarHBondContact NH1-OE1 3.25Å; R322-E326 WeakPolarHBondContact O-CB 3.41Å; R322-E326 WeakPolarHBondContact O-CG 3.19Å; R322-E326 PolarHBondContact O-N 3.37Å
323	S	96.3	Very high	95.1	Very high	75 Å²	75	73.1 Å²	73.1	52%	0.524	41%	0.413	S	S	.	.	H	α-helix	trans	-58.9	-38.1	179.5	-56.9	0	0	0	0	112.9	P319 V321 A327	P319-S323 PolarHBondContact O-N 2.86Å; P319-S323 PolarHBondContact O-OG 3.31Å; P319-S323 VanDerWaalsContact O-OG 3.07Å; V321-S323 PolarHBondContact O-N 3Å; S323-A327 VanDerWaalsContact O-CB 3.31Å; S323-A327 WeakPolarHBondContact O-CB 3.34Å; S323-A327 PolarHBondContact O-N 3.04Å
324	R	96.3	Very high	95.3	Very high	96 Å²	96	74.5 Å²	74.5	36%	0.362	41%	0.406	S	S	.	.	H	α-helix	trans	-68.7	-34.7	176.2	-76.1	170.3	62.8	-155.3	-2.5	112.7	P253 E256 K320 V321 R322 L328	P253-R324 HydrophobicContact CB-CB 4.17Å; P253-R324 HydrophobicContact CG-CB 3.88Å; E256-R324 IonicContact OE1-CZ 2.68Å; E256-R324 VanDerWaalsContact OE1-CZ 3.3Å; E256-R324 IonicContact OE1-NH1 3.19Å; E256-R324 PolarHBondContact OE1-NH1 3.25Å; E256-R324 IonicContact OE1-NH2 3.62Å; E256-R324 PolarHBondContact OE1-NH2 3.39Å; E256-R324 IonicContact OE2-CZ 3.96Å; E256-R324 IonicContact OE2-NH1 3.77Å; E256-R324 PolarHBondContact OE2-NH1 2.95Å; K320-R324 WeakPolarHBondContact O-CG 3.42Å; K320-R324 PolarHBondContact O-N 2.9Å; V321-R324 PolarHBondContact O-N 3.03Å; R322-R324 VanDerWaalsContact C-N 3.28Å; R322-R324 PolarHBondContact O-N 2.8Å; R324-L328 WeakPolarHBondContact O-CG 3.26Å
325	L	95.7	Very high	95.5	Very high	0 Å²	0	72.2 Å²	72.2	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-74.4	-45.4	176.9	-69.4	168.9	0	0	0	111.4	P251 P253 A254 L266 F270 I311 L317 V321 R322 A327 L328 M329	P251-L325 HydrophobicContact CG-CD2 3.71Å; P253-L325 HydrophobicContact CB-CD2 3.89Å; P253-L325 HydrophobicContact CB-CG 3.99Å; P253-L325 HydrophobicContact CG-CD2 4.17Å; A254-L325 HydrophobicContact CB-CD2 4.06Å; L266-L325 HydrophobicContact CD1-CD1 3.79Å; L266-L325 HydrophobicContact CD2-CD1 4.1Å; F270-L325 HydrophobicContact CE2-CD2 4.11Å; F270-L325 HydrophobicContact CZ-CD2 4.34Å; I311-L325 HydrophobicContact CD1-CB 3.33Å; I311-L325 HydrophobicContact CD1-CD1 4.43Å; I311-L325 HydrophobicContact CD1-CG 4.44Å; L317-L325 HydrophobicContact CD1-CD1 4.13Å; V321-L325 HydrophobicContact CG1-CD1 3.84Å; V321-L325 HydrophobicContact CG1-CG 4.36Å; V321-L325 WeakPolarHBondContact O-CG 3.4Å; V321-L325 PolarHBondContact O-N 3.06Å; R322-L325 PolarHBondContact O-N 2.95Å; L325-A327 VanDerWaalsContact C-N 3.27Å; L325-A327 PolarHBondContact O-N 3.49Å; L325-L328 WeakPolarHBondContact O-CB 3.47Å; L325-L328 PolarHBondContact O-N 2.92Å; L325-M329 PolarHBondContact O-N 2.73Å
326	E	95.4	Very high	95.8	Very high	77 Å²	77	72 Å²	72	36%	0.36	39%	0.387	S	S	.	.	H	α-helix	trans	-62.4	-34.7	177.9	-72.4	171.7	175.8	0	0	111.5	I311 R322 L328 M329	I311-E326 HydrophobicContact CB-CG 4.34Å; I311-E326 HydrophobicContact CD1-CG 4.08Å; I311-E326 HydrophobicContact CG1-CG 4.21Å; R322-E326 WeakPolarHBondContact CD-OE1 3.46Å; R322-E326 VanDerWaalsContact CG-CD 3.44Å; R322-E326 HydrophobicContact CG-CG 4.17Å; R322-E326 WeakPolarHBondContact CG-OE1 3.31Å; R322-E326 IonicContact CZ-OE1 2.91Å; R322-E326 IonicContact NH1-OE1 2.7Å; R322-E326 PolarHBondContact NH1-OE1 3.25Å; R322-E326 WeakPolarHBondContact O-CB 3.41Å; R322-E326 WeakPolarHBondContact O-CG 3.19Å; R322-E326 PolarHBondContact O-N 3.37Å; E326-L328 PolarHBondContact O-N 2.9Å; E326-L328 VanDerWaalsContact O-N 3.16Å; E326-M329 WeakPolarHBondContact O-CB 3.2Å; E326-M329 PolarHBondContact O-N 2.97Å
327	A	95.6	Very high	96	Very high	81 Å²	81	68.8 Å²	68.8	67%	0.669	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-20.4	172.6	0	0	0	0	0	114.2	S323 L325	S323-A327 VanDerWaalsContact O-CB 3.31Å; S323-A327 WeakPolarHBondContact O-CB 3.34Å; S323-A327 PolarHBondContact O-N 3.04Å; L325-A327 VanDerWaalsContact C-N 3.27Å; L325-A327 PolarHBondContact O-N 3.49Å
328	L	92.9	Very high	96.2	Very high	90 Å²	90	71.4 Å²	71.4	47%	0.471	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-10.8	174.9	-59.3	172.8	0	0	0	112.3	P251 F270 R324 L325 E326	P251-L328 HydrophobicContact CB-CD1 3.48Å; P251-L328 VanDerWaalsContact CB-CD1 3.48Å; P251-L328 HydrophobicContact CG-CD1 3.99Å; F270-L328 HydrophobicContact CE1-CB 4.3Å; F270-L328 HydrophobicContact CZ-CB 4.49Å; R324-L328 WeakPolarHBondContact O-CG 3.26Å; L325-L328 WeakPolarHBondContact O-CB 3.47Å; L325-L328 PolarHBondContact O-N 2.92Å; E326-L328 PolarHBondContact O-N 2.9Å; E326-L328 VanDerWaalsContact O-N 3.16Å
329	M	94.4	Very high	96.4	Very high	15 Å²	15	65.1 Å²	65.1	7%	0.074	36%	0.355	C	S	.	.			trans	-85.7	138.9	-178.7	-65.3	-63.3	-80.5	0	0	111.1	L269 F270 K273 G309 T310 I311 L325 E326	L269-M329 HydrophobicContact CD1-CE 4.12Å; L269-M329 HydrophobicContact CD2-CE 3.78Å; L269-M329 HydrophobicContact CD2-SD 4.42Å; L269-M329 HydrophobicContact CG-CE 4.09Å; F270-M329 HydrophobicContact CE1-SD 3.94Å; F270-M329 HydrophobicContact CZ-SD 3.89Å; K273-M329 HydrophobicContact CD-CE 3.9Å; K273-M329 HydrophobicContact CD-SD 3.75Å; K273-M329 PolarHBondContact NZ-SD 3.07Å; G309-M329 WeakPolarHBondContact O-CB 3.44Å; T310-M329 WeakPolarHBondContact O-CE 3.43Å; I311-M329 HydrophobicContact CD1-CG 4.12Å; I311-M329 HydrophobicContact CG1-CG 3.92Å; L325-M329 PolarHBondContact O-N 2.73Å; E326-M329 WeakPolarHBondContact O-CB 3.2Å; E326-M329 PolarHBondContact O-N 2.97Å
330	K	94	Very high	96.5	Very high	148 Å²	148	63.4 Å²	63.4	64%	0.643	34%	0.335	S	S	*	.			trans	-137.5	139.1	173.9	-63.9	-174	-180	-174.4	0	107.9	K273	K273-K330 PolarHBondContact NZ-O 3.38Å
331	P	97.2	Very high	96.6	Very high	96 Å²	96	58 Å²	58	62%	0.623	32%	0.32	S	S	*	.			trans	-55.1	137.7	172.5	-23.5	31.7	0	0	0	111.2	E307	E307-P331 VanDerWaalsContact O-CA 3.28Å; E307-P331 WeakPolarHBondContact O-CA 3.26Å; E307-P331 VanDerWaalsContact O-CB 3.29Å; E307-P331 WeakPolarHBondContact O-CB 3.42Å
332	D	97.4	Very high	96.7	Very high	31 Å²	31	59.9 Å²	59.9	17%	0.166	33%	0.329	C	S	.	.			trans	-145.4	74.5	179	-154.9	-38.6	0	0	0	110.2	K61 V306 E307 E334 R335 A336	K61-D332 IonicContact NZ-OD2 2.95Å; K61-D332 PolarHBondContact NZ-OD2 3.15Å; V306-D332 HydrophobicContact CG1-CB 4.2Å; V306-D332 PolarHBondContact O-N 3.01Å; V306-D332 VanDerWaalsContact O-N 3.07Å; E307-D332 PolarHBondContact O-N 3.3Å; D332-E334 VanDerWaalsContact C-N 3.31Å; D332-E334 PolarHBondContact O-N 2.86Å; D332-R335 HydrophobicContact CB-CB 4.15Å; D332-R335 PolarHBondContact O-N 3.49Å; D332-R335 WeakPolarHBondContact OD1-CB 3.32Å; D332-R335 PolarHBondContact OD1-N 2.84Å; D332-R335 VanDerWaalsContact OD1-N 3.14Å; D332-A336 WeakPolarHBondContact O-CB 3.46Å; D332-A336 PolarHBondContact O-N 3.47Å
333	A	97.8	Very high	96.8	Very high	58 Å²	58	58.1 Å²	58.1	48%	0.479	32%	0.322	S	S	.	.	H	α-helix	trans	-64.9	-33.9	-175.6	0	0	0	0	0	112.9	E307 A336 A337	E307-A333 HydrophobicContact CG-CB 4.32Å; A333-A336 PolarHBondContact O-N 3.15Å; A333-A337 WeakPolarHBondContact O-CB 3.37Å; A333-A337 PolarHBondContact O-N 3.16Å
334	E	97.8	Very high	96.9	Very high	143 Å²	143	61.3 Å²	61.3	67%	0.668	33%	0.329	S	S	*	.	H	α-helix	trans	-64.9	-50.7	176.6	-173.3	-173	164.1	0	0	110.7	D332 A336 A337 Q338	D332-E334 VanDerWaalsContact C-N 3.31Å; D332-E334 PolarHBondContact O-N 2.86Å; E334-A336 VanDerWaalsContact C-N 3.3Å; E334-A336 PolarHBondContact O-N 2.76Å; E334-A337 PolarHBondContact O-N 3.45Å; E334-Q338 WeakPolarHBondContact O-CG 3.41Å; E334-Q338 PolarHBondContact O-N 3.37Å; E334-Q338 VanDerWaalsContact O-N 3.1Å
335	R	97	Very high	96.9	Very high	14 Å²	14	63 Å²	63	5%	0.053	34%	0.341	C	S	.	.	H	α-helix	trans	-60.6	-42.6	176.6	-177.6	55.7	175.8	169.9	0.1	111.2	L272 V306 D332 A337 Q338 L339 L354	L272-R335 PolarHBondContact O-NE 3.41Å; L272-R335 PolarHBondContact O-NH2 3.02Å; V306-R335 HydrophobicContact CG1-CB 4.26Å; V306-R335 HydrophobicContact CG1-CG 4.14Å; D332-R335 HydrophobicContact CB-CB 4.15Å; D332-R335 PolarHBondContact O-N 3.49Å; D332-R335 WeakPolarHBondContact OD1-CB 3.32Å; D332-R335 PolarHBondContact OD1-N 2.84Å; D332-R335 VanDerWaalsContact OD1-N 3.14Å; R335-A337 PolarHBondContact O-N 2.85Å; R335-Q338 PolarHBondContact O-N 3.32Å; R335-L339 HydrophobicContact CG-CD1 4.11Å; R335-L339 HydrophobicContact CG-CG 4.37Å; R335-L339 VanDerWaalsContact O-CG 3.22Å; R335-L339 WeakPolarHBondContact O-CG 3.31Å; R335-L339 PolarHBondContact O-N 3.04Å; R335-L354 PolarHBondContact NH2-O 3.38Å
336	A	98.4	Very high	97	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-59	-45.1	177	0	0	0	0	0	112.3	V303 V306 E307 D332 A333 E334 Q338 L339 R340	V303-A336 HydrophobicContact CG1-CB 3.89Å; V303-A336 WeakPolarHBondContact CG1-O 3.33Å; V306-A336 HydrophobicContact CG1-CB 4.3Å; E307-A336 HydrophobicContact CB-CB 3.56Å; E307-A336 HydrophobicContact CG-CB 4.24Å; D332-A336 WeakPolarHBondContact O-CB 3.46Å; D332-A336 PolarHBondContact O-N 3.47Å; A333-A336 PolarHBondContact O-N 3.15Å; E334-A336 VanDerWaalsContact C-N 3.3Å; E334-A336 PolarHBondContact O-N 2.76Å; A336-Q338 PolarHBondContact O-N 3.31Å; A336-L339 WeakPolarHBondContact O-CB 3.18Å; A336-L339 PolarHBondContact O-N 3.44Å; A336-R340 WeakPolarHBondContact O-CG 3.41Å; A336-R340 PolarHBondContact O-N 3.18Å
337	A	98.4	Very high	97	Very high	52 Å²	52	61.7 Å²	61.7	43%	0.43	34%	0.341	S	S	.	.	H	α-helix	trans	-60.3	-43.6	177.1	0	0	0	0	0	112.5	A333 E334 R335 L339 R340 A341	A333-A337 WeakPolarHBondContact O-CB 3.37Å; A333-A337 PolarHBondContact O-N 3.16Å; E334-A337 PolarHBondContact O-N 3.45Å; R335-A337 PolarHBondContact O-N 2.85Å; A337-L339 PolarHBondContact O-N 2.87Å; A337-R340 PolarHBondContact O-N 2.71Å; A337-A341 PolarHBondContact O-N 3.39Å; A337-A341 VanDerWaalsContact O-N 3.15Å
338	Q	97.9	Very high	97.1	Very high	75 Å²	75	58.9 Å²	58.9	35%	0.35	32%	0.32	S	S	.	.	H	α-helix	trans	-59.3	-46.5	174.2	-66.4	169.8	5.5	0	0	111.5	E334 R335 A336 R340 A341 H342	E334-Q338 WeakPolarHBondContact O-CG 3.41Å; E334-Q338 PolarHBondContact O-N 3.37Å; E334-Q338 VanDerWaalsContact O-N 3.1Å; R335-Q338 PolarHBondContact O-N 3.32Å; A336-Q338 PolarHBondContact O-N 3.31Å; Q338-R340 PolarHBondContact O-N 2.94Å; Q338-A341 PolarHBondContact O-N 2.94Å; Q338-H342 PolarHBondContact O-CD2 3.11Å; Q338-H342 PolarHBondContact O-N 3.48Å; Q338-H342 VanDerWaalsContact O-N 3.12Å
339	L	98.5	Very high	97.3	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-60	-45.5	178.6	-69	174.9	0	0	0	111.7	L272 V303 V306 R335 A336 A337 A341 H342 F343 L354	L272-L339 HydrophobicContact CB-CD1 4Å; L272-L339 HydrophobicContact CD2-CD1 4.49Å; L272-L339 HydrophobicContact CD2-CD2 3.82Å; V303-L339 HydrophobicContact CG2-CB 3.72Å; V303-L339 HydrophobicContact CG2-CD1 4.23Å; V306-L339 HydrophobicContact CG1-CD1 4.34Å; V306-L339 HydrophobicContact CG2-CD1 4.28Å; R335-L339 HydrophobicContact CG-CD1 4.11Å; R335-L339 HydrophobicContact CG-CG 4.37Å; R335-L339 VanDerWaalsContact O-CG 3.22Å; R335-L339 WeakPolarHBondContact O-CG 3.31Å; R335-L339 PolarHBondContact O-N 3.04Å; A336-L339 WeakPolarHBondContact O-CB 3.18Å; A336-L339 PolarHBondContact O-N 3.44Å; A337-L339 PolarHBondContact O-N 2.87Å; L339-A341 VanDerWaalsContact C-N 3.34Å; L339-A341 PolarHBondContact O-N 3.47Å; L339-H342 PolarHBondContact O-N 3.31Å; L339-F343 HydrophobicContact CB-CD2 4.35Å; L339-F343 HydrophobicContact CB-CE2 4.03Å; L339-F343 HydrophobicContact CD2-CE2 4.49Å; L339-F343 WeakPolarHBondContact O-CD2 3.38Å; L339-F343 PolarHBondContact O-N 2.85Å; L339-L354 HydrophobicContact CD2-CD2 3.48Å; L339-L354 VanDerWaalsContact CD2-CD2 3.48Å
340	R	98.5	Very high	97.5	Very high	70 Å²	70	54.5 Å²	54.5	26%	0.264	30%	0.301	S	S	.	.	H	α-helix	trans	-56.5	-47.8	176.2	-65.7	-178.4	-171.9	118	2.8	111.6	W299 V303 E307 A336 A337 Q338 H342 F343 H344	W299-R340 HydrophobicContact CZ3-CG 4.25Å; V303-R340 HydrophobicContact CG1-CG 3.58Å; E307-R340 IonicContact OE1-CZ 3.17Å; E307-R340 IonicContact OE1-NH1 2.81Å; E307-R340 PolarHBondContact OE1-NH1 3.12Å; E307-R340 IonicContact OE1-NH2 2.74Å; E307-R340 PolarHBondContact OE1-NH2 2.93Å; E307-R340 IonicContact OE2-CZ 3.85Å; E307-R340 IonicContact OE2-NH2 3.81Å; E307-R340 PolarHBondContact OE2-NH2 3.2Å; A336-R340 WeakPolarHBondContact O-CG 3.41Å; A336-R340 PolarHBondContact O-N 3.18Å; A337-R340 PolarHBondContact O-N 2.71Å; Q338-R340 PolarHBondContact O-N 2.94Å; R340-H342 VanDerWaalsContact C-N 3.31Å; R340-H342 PolarHBondContact O-N 3.23Å; R340-F343 PolarHBondContact O-N 3.42Å; R340-H344 PolarHBondContact O-CD2 3.05Å; R340-H344 PolarHBondContact O-N 3.37Å
341	A	98.2	Very high	97.7	Very high	48 Å²	48	47.5 Å²	47.5	40%	0.397	27%	0.27	S	S	.	.	H	α-helix	trans	-56.5	-48.3	179.7	0	0	0	0	0	110.8	A337 Q338 L339 F343 H344 E345	A337-A341 PolarHBondContact O-N 3.39Å; A337-A341 VanDerWaalsContact O-N 3.15Å; Q338-A341 PolarHBondContact O-N 2.94Å; L339-A341 VanDerWaalsContact C-N 3.34Å; L339-A341 PolarHBondContact O-N 3.47Å; A341-F343 PolarHBondContact O-N 3.42Å; A341-H344 PolarHBondContact O-N 2.94Å; A341-E345 PolarHBondContact O-N 3.39Å
342	H	98	Very high	97.7	Very high	44 Å²	44	47.1 Å²	47.1	20%	0.204	26%	0.259	C	S	.	.	H	α-helix	trans	-64.2	-37.1	178.7	-64.6	-38.9	0	0	0	114.1	Q338 L339 R340 I350 R353 L354	Q338-H342 PolarHBondContact O-CD2 3.11Å; Q338-H342 PolarHBondContact O-N 3.48Å; Q338-H342 VanDerWaalsContact O-N 3.12Å; L339-H342 PolarHBondContact O-N 3.31Å; R340-H342 VanDerWaalsContact C-N 3.31Å; R340-H342 PolarHBondContact O-N 3.23Å; H342-I350 HydrophobicContact CB-CD1 3.96Å; H342-I350 WeakPolarHBondContact O-CD1 3.38Å; H342-R353 HydrophobicContact CB-CB 4.25Å; H342-R353 PolarHBondContact NE2-O 3.36Å; H342-L354 HydrophobicContact CB-CD2 4.38Å
343	F	98.3	Very high	97.7	Very high	7 Å²	7	48.6 Å²	48.6	3%	0.031	26%	0.262	C	S	.	.	H	α-helix	trans	-71.5	-34.3	177.1	-69.7	-57.2	0	0	0	112.5	L272 L295 W299 V303 L339 R340 A341 E345 G346 F347 I350 L354	L272-F343 HydrophobicContact CD2-CZ 4.12Å; L295-F343 HydrophobicContact CD1-CE1 4.16Å; L295-F343 HydrophobicContact CD1-CZ 3.84Å; L295-F343 HydrophobicContact CD2-CE1 4.07Å; L295-F343 HydrophobicContact CD2-CZ 4.3Å; L295-F343 HydrophobicContact CG-CE1 3.98Å; L295-F343 HydrophobicContact CG-CZ 4.17Å; W299-F343 HydrophobicContact CB-CD1 3.93Å; W299-F343 HydrophobicContact CB-CD2 3.86Å; W299-F343 HydrophobicContact CB-CE1 3.92Å; W299-F343 HydrophobicContact CB-CE2 3.86Å; W299-F343 HydrophobicContact CB-CG 3.92Å; W299-F343 HydrophobicContact CB-CZ 3.91Å; W299-F343 HydrophobicContact CD2-CB 3.61Å; W299-F343 HydrophobicContact CD2-CD1 4.42Å; W299-F343 AromaticContact CD2-CD2 3.8Å; W299-F343 HydrophobicContact CD2-CD2 3.8Å; W299-F343 AromaticContact CD2-CG 3.7Å; W299-F343 HydrophobicContact CD2-CG 3.7Å; W299-F343 HydrophobicContact CE3-CB 3.66Å; W299-F343 AromaticContact CE3-CD2 3.38Å; W299-F343 HydrophobicContact CE3-CD2 3.38Å; W299-F343 HydrophobicContact CE3-CE2 4.25Å; W299-F343 AromaticContact CE3-CG 3.72Å; W299-F343 HydrophobicContact CE3-CG 3.72Å; W299-F343 HydrophobicContact CG-CB 4.11Å; W299-F343 HydrophobicContact CG-CD1 4.07Å; W299-F343 HydrophobicContact CG-CD2 4.05Å; W299-F343 AromaticContact CG-CG 3.82Å; W299-F343 HydrophobicContact CG-CG 3.82Å; W299-F343 HydrophobicContact CH2-CB 4.26Å; W299-F343 HydrophobicContact CZ2-CB 4.24Å; W299-F343 HydrophobicContact CZ3-CB 4Å; W299-F343 HydrophobicContact CZ3-CD2 4.16Å; W299-F343 HydrophobicContact CZ3-CG 4.46Å; V303-F343 HydrophobicContact CG2-CD2 3.93Å; V303-F343 HydrophobicContact CG2-CE2 3.67Å; L339-F343 HydrophobicContact CB-CD2 4.35Å; L339-F343 HydrophobicContact CB-CE2 4.03Å; L339-F343 HydrophobicContact CD2-CE2 4.49Å; L339-F343 WeakPolarHBondContact O-CD2 3.38Å; L339-F343 PolarHBondContact O-N 2.85Å; R340-F343 PolarHBondContact O-N 3.42Å; A341-F343 PolarHBondContact O-N 3.42Å; F343-E345 VanDerWaalsContact C-N 3.31Å; F343-E345 PolarHBondContact O-N 3.19Å; F343-G346 PolarHBondContact O-N 2.76Å; F343-F347 AromaticContact CD1-CE1 3.71Å; F343-F347 HydrophobicContact CD1-CE1 3.71Å; F343-F347 AromaticContact CD1-CZ 3.63Å; F343-F347 HydrophobicContact CD1-CZ 3.63Å; F343-F347 AromaticContact CE1-CE1 3.9Å; F343-F347 HydrophobicContact CE1-CE1 3.9Å; F343-F347 HydrophobicContact CE1-CZ 4.23Å; F343-I350 HydrophobicContact CD1-CD1 4.27Å; F343-I350 HydrophobicContact CD1-CG1 4.4Å; F343-I350 HydrophobicContact CE1-CD1 4.47Å; F343-I350 HydrophobicContact CE1-CG1 4.26Å; F343-L354 HydrophobicContact CE1-CD1 4.15Å; F343-L354 HydrophobicContact CE1-CD2 4.08Å; F343-L354 HydrophobicContact CE2-CD2 4.2Å; F343-L354 HydrophobicContact CZ-CD1 4.16Å; F343-L354 HydrophobicContact CZ-CD2 3.72Å
344	H	97.4	Very high	97.7	Very high	143 Å²	143	45.8 Å²	45.8	66%	0.662	24%	0.239	S	C	*	.	H	α-helix	trans	-66.8	-29.6	175.3	-78.5	-58.7	0	0	0	113.3	W299 R340 A341 G346	W299-H344 AromaticContact CH2-CE1 3.93Å; W299-H344 AromaticContact CH2-NE2 3.85Å; R340-H344 PolarHBondContact O-CD2 3.05Å; R340-H344 PolarHBondContact O-N 3.37Å; A341-H344 PolarHBondContact O-N 2.94Å; H344-G346 PolarHBondContact O-N 3.05Å
345	E	96.4	Very high	97.7	Very high	131 Å²	131	39 Å²	39	61%	0.612	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-14.1	171.4	-69.7	173.1	-151.7	0	0	113.3	A341 F343 R353	A341-E345 PolarHBondContact O-N 3.39Å; F343-E345 VanDerWaalsContact C-N 3.31Å; F343-E345 PolarHBondContact O-N 3.19Å; E345-R353 VanDerWaalsContact OE2-CD 3.25Å; E345-R353 WeakPolarHBondContact OE2-CD 3.29Å; E345-R353 IonicContact OE2-NE 3.89Å
346	G	96.8	Very high	97.5	Very high	24 Å²	24	42.5 Å²	42.5	25%	0.247	23%	0.231	C	C	.	.			trans	99	-174.3	-178.9	0	0	0	0	0	113.8	F343 H344 R353	F343-G346 PolarHBondContact O-N 2.76Å; H344-G346 PolarHBondContact O-N 3.05Å; G346-R353 PolarHBondContact O-NH2 3.16Å
347	F	97.2	Very high	97.3	Very high	25 Å²	25	47.2 Å²	47.2	11%	0.11	25%	0.253	C	S	.	.	S	Bend	trans	-103	-8.2	-166.5	-73.5	-95.2	0	0	0	115.2	Q296 W299 F343 G349 I350 Y380	Q296-F347 VanDerWaalsContact CA-CE1 3.42Å; Q296-F347 VanDerWaalsContact CA-CZ 3.5Å; Q296-F347 HydrophobicContact CB-CD1 3.83Å; Q296-F347 HydrophobicContact CB-CD2 4.47Å; Q296-F347 HydrophobicContact CB-CE1 3.53Å; Q296-F347 HydrophobicContact CB-CE2 4.23Å; Q296-F347 HydrophobicContact CB-CG 4.31Å; Q296-F347 HydrophobicContact CB-CZ 3.77Å; Q296-F347 HydrophobicContact CG-CD1 4.1Å; Q296-F347 HydrophobicContact CG-CD2 3.84Å; Q296-F347 HydrophobicContact CG-CE1 3.91Å; Q296-F347 HydrophobicContact CG-CE2 3.65Å; Q296-F347 HydrophobicContact CG-CG 4.09Å; Q296-F347 HydrophobicContact CG-CZ 3.69Å; W299-F347 AromaticContact CD1-CZ 3.85Å; W299-F347 HydrophobicContact CG-CZ 4.37Å; F343-F347 AromaticContact CD1-CE1 3.71Å; F343-F347 HydrophobicContact CD1-CE1 3.71Å; F343-F347 AromaticContact CD1-CZ 3.63Å; F343-F347 HydrophobicContact CD1-CZ 3.63Å; F343-F347 AromaticContact CE1-CE1 3.9Å; F343-F347 HydrophobicContact CE1-CE1 3.9Å; F343-F347 HydrophobicContact CE1-CZ 4.23Å; F347-G349 PolarHBondContact O-N 2.65Å; F347-I350 HydrophobicContact CB-CG2 4.48Å; F347-I350 HydrophobicContact CD1-CG1 4.38Å; F347-I350 HydrophobicContact CD1-CG2 4.21Å; F347-I350 VanDerWaalsContact O-CB 3.31Å; F347-I350 WeakPolarHBondContact O-CB 3.32Å; F347-I350 WeakPolarHBondContact O-CG2 3.43Å; F347-I350 PolarHBondContact O-N 2.91Å; F347-Y380 HydrophobicContact CB-CD1 3.99Å; F347-Y380 HydrophobicContact CB-CE1 3.75Å; F347-Y380 HydrophobicContact CD1-CD1 4.3Å; F347-Y380 AromaticContact CD1-CE1 3.93Å; F347-Y380 HydrophobicContact CD1-CE1 3.93Å; F347-Y380 HydrophobicContact CG-CE1 4.18Å
348	G	97.1	Very high	97.2	Very high	23 Å²	23	44.9 Å²	44.9	24%	0.237	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	118.1	175.4	0	0	0	0	0	111.4	I350 R353 H379	G348-I350 PolarHBondContact O-N 3.34Å; G348-R353 VanDerWaalsContact O-CZ 3.27Å; G348-R353 PolarHBondContact O-NH1 3.08Å; G348-R353 PolarHBondContact O-NH2 3.29Å; G348-H379 CarbonylContact C-O 3.57Å
349	G	97.3	Very high	97	Very high	13 Å²	13	41.7 Å²	41.7	13%	0.134	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	16.5	-176.1	0	0	0	0	0	114.4	F347 A351 K352 H379 Y380	F347-G349 PolarHBondContact O-N 2.65Å; G349-A351 PolarHBondContact O-N 2.91Å; G349-K352 PolarHBondContact O-N 2.98Å; G349-H379 PolarHBondContact N-O 2.99Å; G349-Y380 CarbonylContact C-O 3.57Å
350	I	98.4	Very high	96.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-59.9	-32.2	-172.3	-167.9	57	0	0	0	113.1	F292 H342 F343 F347 G348 K352 R353 L354 Y380	F292-I350 HydrophobicContact CD1-CG2 4.02Å; F292-I350 HydrophobicContact CE1-CG2 3.89Å; H342-I350 HydrophobicContact CB-CD1 3.96Å; H342-I350 WeakPolarHBondContact O-CD1 3.38Å; F343-I350 HydrophobicContact CD1-CD1 4.27Å; F343-I350 HydrophobicContact CD1-CG1 4.4Å; F343-I350 HydrophobicContact CE1-CD1 4.47Å; F343-I350 HydrophobicContact CE1-CG1 4.26Å; F347-I350 HydrophobicContact CB-CG2 4.48Å; F347-I350 HydrophobicContact CD1-CG1 4.38Å; F347-I350 HydrophobicContact CD1-CG2 4.21Å; F347-I350 VanDerWaalsContact O-CB 3.31Å; F347-I350 WeakPolarHBondContact O-CB 3.32Å; F347-I350 WeakPolarHBondContact O-CG2 3.43Å; F347-I350 PolarHBondContact O-N 2.91Å; G348-I350 PolarHBondContact O-N 3.34Å; I350-K352 VanDerWaalsContact C-N 3.34Å; I350-K352 PolarHBondContact O-N 2.68Å; I350-R353 HydrophobicContact CD1-CB 4.35Å; I350-R353 PolarHBondContact O-N 2.88Å; I350-L354 HydrophobicContact CD1-CD1 4.45Å; I350-L354 HydrophobicContact CD1-CD2 4.2Å; I350-L354 HydrophobicContact CD1-CG 4.03Å; I350-L354 HydrophobicContact CG1-CD1 3.78Å; I350-L354 HydrophobicContact CG1-CD2 4.4Å; I350-L354 HydrophobicContact CG1-CG 3.86Å; I350-L354 WeakPolarHBondContact O-CG 3.41Å; I350-L354 PolarHBondContact O-N 3.09Å; I350-Y380 HydrophobicContact CG2-CD1 3.85Å; I350-Y380 PolarHBondContact N-O 2.98Å
351	A	98.1	Very high	96.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-57	-44.7	-176.4	0	0	0	0	0	112.5	F292 G349 W355 L358 Y380	F292-A351 HydrophobicContact CE1-CB 4.08Å; F292-A351 HydrophobicContact CZ-CB 3.65Å; G349-A351 PolarHBondContact O-N 2.91Å; A351-W355 PolarHBondContact O-N 3.37Å; A351-L358 HydrophobicContact CB-CD2 3.72Å; A351-Y380 VanDerWaalsContact CB-O 3.28Å; A351-Y380 WeakPolarHBondContact CB-O 3.25Å; A351-Y380 PolarHBondContact N-O 2.84Å
352	K	97	Very high	96.7	Very high	89 Å²	89	37.3 Å²	37.3	39%	0.387	19%	0.194	S	C	.	.	H	α-helix	trans	-75.1	-26.9	177.3	-75.7	-163.9	174.9	-172.4	0	113.6	G349 I350 W355 P356 G383 V384	G349-K352 PolarHBondContact O-N 2.98Å; I350-K352 VanDerWaalsContact C-N 3.34Å; I350-K352 PolarHBondContact O-N 2.68Å; K352-W355 CarbonylContact O-C 3.55Å; K352-W355 VanDerWaalsContact O-C 3.29Å; K352-P356 VanDerWaalsContact O-CA 3.29Å; K352-P356 WeakPolarHBondContact O-CA 3.37Å; K352-G383 WeakPolarHBondContact CE-O 3.35Å; K352-G383 PolarHBondContact NZ-O 3.31Å; K352-V384 HydrophobicContact CD-CG2 4.21Å; K352-V384 HydrophobicContact CG-CG2 3.68Å
353	R	97.2	Very high	96.5	Very high	61 Å²	61	35.3 Å²	35.3	23%	0.23	19%	0.185	C	C	.	.	H	α-helix	trans	-67.6	-44.7	171.9	-73.2	-162.8	-68	-82.9	-2.4	110.9	H342 E345 G346 G348 I350	H342-R353 HydrophobicContact CB-CB 4.25Å; H342-R353 PolarHBondContact NE2-O 3.36Å; E345-R353 VanDerWaalsContact OE2-CD 3.25Å; E345-R353 WeakPolarHBondContact OE2-CD 3.29Å; E345-R353 IonicContact OE2-NE 3.89Å; G346-R353 PolarHBondContact O-NH2 3.16Å; G348-R353 VanDerWaalsContact O-CZ 3.27Å; G348-R353 PolarHBondContact O-NH1 3.08Å; G348-R353 PolarHBondContact O-NH2 3.29Å; I350-R353 HydrophobicContact CD1-CB 4.35Å; I350-R353 PolarHBondContact O-N 2.88Å
354	L	97.7	Very high	96.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-67.1	-40.7	177	-62.5	175.6	0	0	0	111.9	L272 L295 R335 L339 H342 F343 I350	L272-L354 HydrophobicContact CD2-CD1 3.99Å; L272-L354 HydrophobicContact CD2-CD2 4.05Å; L272-L354 HydrophobicContact CD2-CG 4.47Å; L295-L354 HydrophobicContact CD2-CD1 3.75Å; R335-L354 PolarHBondContact NH2-O 3.38Å; L339-L354 HydrophobicContact CD2-CD2 3.48Å; L339-L354 VanDerWaalsContact CD2-CD2 3.48Å; H342-L354 HydrophobicContact CB-CD2 4.38Å; F343-L354 HydrophobicContact CE1-CD1 4.15Å; F343-L354 HydrophobicContact CE1-CD2 4.08Å; F343-L354 HydrophobicContact CE2-CD2 4.2Å; F343-L354 HydrophobicContact CZ-CD1 4.16Å; F343-L354 HydrophobicContact CZ-CD2 3.72Å; I350-L354 HydrophobicContact CD1-CD1 4.45Å; I350-L354 HydrophobicContact CD1-CD2 4.2Å; I350-L354 HydrophobicContact CD1-CG 4.03Å; I350-L354 HydrophobicContact CG1-CD1 3.78Å; I350-L354 HydrophobicContact CG1-CD2 4.4Å; I350-L354 HydrophobicContact CG1-CG 3.86Å; I350-L354 WeakPolarHBondContact O-CG 3.41Å; I350-L354 PolarHBondContact O-N 3.09Å
355	W	97.2	Very high	95.9	Very high	1 Å²	1	30.2 Å²	30.2	0%	0.004	16%	0.164	C	C	.	.			trans	-130.5	87.8	-176.1	-56.5	-64.1	0	0	0	110.5	A271 L272 D274 V277 L280 F292 A351 K352 H357 L358	A271-W355 HydrophobicContact CB-CH2 4.48Å; A271-W355 HydrophobicContact CB-CZ2 3.65Å; A271-W355 PolarHBondContact O-NE1 3.34Å; L272-W355 HydrophobicContact CD2-CZ2 4.22Å; D274-W355 PolarHBondContact O-NE1 3.46Å; V277-W355 HydrophobicContact CB-CB 4.15Å; V277-W355 HydrophobicContact CB-CD2 4.24Å; V277-W355 HydrophobicContact CB-CG 3.71Å; V277-W355 HydrophobicContact CG1-CD2 4.5Å; V277-W355 HydrophobicContact CG1-CG 4.36Å; V277-W355 HydrophobicContact CG2-CG 4.25Å; L280-W355 HydrophobicContact CD1-CZ3 4.39Å; L280-W355 HydrophobicContact CD2-CE3 4.47Å; L280-W355 HydrophobicContact CD2-CZ3 4.22Å; F292-W355 HydrophobicContact CE1-CZ3 4.28Å; F292-W355 HydrophobicContact CZ-CZ3 4.04Å; A351-W355 PolarHBondContact O-N 3.37Å; K352-W355 CarbonylContact O-C 3.55Å; K352-W355 VanDerWaalsContact O-C 3.29Å; W355-H357 PolarHBondContact O-N 2.83Å; W355-H357 VanDerWaalsContact O-N 3.11Å; W355-L358 HydrophobicContact CB-CB 3.88Å; W355-L358 HydrophobicContact CE3-CD2 4.35Å; W355-L358 WeakPolarHBondContact O-CB 3.42Å; W355-L358 PolarHBondContact O-N 3.15Å
356	P	94.3	Very high	95.4	Very high	86 Å²	86	25.4 Å²	25.4	56%	0.558	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-25.7	-175.9	-27.7	36.4	0	0	0	114.6	K352	K352-P356 VanDerWaalsContact O-CA 3.29Å; K352-P356 WeakPolarHBondContact O-CA 3.37Å
357	H	93.3	Very high	94.8	Very high	99 Å²	99	25.1 Å²	25.1	46%	0.458	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	11.8	178.9	-56.7	-67.3	0	0	0	113.8	V57 Q211 V277 W355 N359	V57-H357 HydrophobicContact CG1-CB 4.49Å; Q211-H357 PolarHBondContact NE2-O 3.26Å; V277-H357 CarbonylContact O-C 3.6Å; W355-H357 PolarHBondContact O-N 2.83Å; W355-H357 VanDerWaalsContact O-N 3.11Å; H357-N359 PolarHBondContact O-N 3.21Å; H357-N359 PolarHBondContact O-ND2 3.33Å
358	L	96.4	Very high	94.2	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.021	14%	0.142	C	C	.	.			trans	-68.6	114.3	176.1	177.3	65.1	0	0	0	110	V277 L280 A351 W355 V384	V277-L358 HydrophobicContact CG1-CD1 4.41Å; V277-L358 WeakPolarHBondContact O-CA 3.05Å; V277-L358 PolarHBondContact O-N 3.35Å; L280-L358 HydrophobicContact CD1-CD2 4.11Å; L280-L358 HydrophobicContact CD2-CD1 4.49Å; L280-L358 HydrophobicContact CG-CD1 3.86Å; L280-L358 HydrophobicContact CG-CD2 4.25Å; A351-L358 HydrophobicContact CB-CD2 3.72Å; W355-L358 HydrophobicContact CB-CB 3.88Å; W355-L358 HydrophobicContact CE3-CD2 4.35Å; W355-L358 WeakPolarHBondContact O-CB 3.42Å; W355-L358 PolarHBondContact O-N 3.15Å; L358-V384 HydrophobicContact CD2-CG1 4.26Å; L358-V384 HydrophobicContact CD2-CG2 3.99Å; L358-V384 HydrophobicContact CG-CG1 4.06Å; L358-V384 HydrophobicContact CG-CG2 4.36Å
359	N	94.1	Very high	93.8	Very high	7 Å²	7	23.7 Å²	23.7	4%	0.037	13%	0.132	C	C	.	.			trans	-112	-13.5	-175.1	55.5	66.3	0	0	0	113.9	E206 Q211 G278 H357 P385	E206-N359 HydrophobicContact CB-CB 4.01Å; Q211-N359 PolarHBondContact OE1-ND2 3.08Å; G278-N359 VanDerWaalsContact O-CG 3.26Å; G278-N359 PolarHBondContact O-N 3.38Å; G278-N359 PolarHBondContact O-ND2 2.78Å; G278-N359 PolarHBondContact O-OD1 2.86Å; H357-N359 PolarHBondContact O-N 3.21Å; H357-N359 PolarHBondContact O-ND2 3.33Å; N359-P385 WeakPolarHBondContact O-CD 3.48Å
360	L	96	Very high	93.5	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	142.2	-175	-165.1	60	0	0	0	114	M200 F204 G278 T279 L280 L362 P385	M200-L360 HydrophobicContact CG-CD2 3.69Å; M200-L360 HydrophobicContact SD-CD2 3.55Å; M200-L360 VanDerWaalsContact SD-CD2 3.55Å; F204-L360 HydrophobicContact CD2-CD1 3.92Å; F204-L360 HydrophobicContact CD2-CD2 4.1Å; F204-L360 HydrophobicContact CE2-CD1 3.7Å; F204-L360 HydrophobicContact CE2-CD2 4.45Å; F204-L360 HydrophobicContact CG-CD1 4.43Å; F204-L360 HydrophobicContact CZ-CD1 4.05Å; G278-L360 PolarHBondContact O-N 3.1Å; T279-L360 VanDerWaalsContact CA-O 3.32Å; T279-L360 WeakPolarHBondContact CA-O 3.09Å; T279-L360 HydrophobicContact CG2-CB 4.29Å; L280-L360 PolarHBondContact N-O 3.02Å; L360-L362 HydrophobicContact CD2-CD2 3.47Å; L360-L362 VanDerWaalsContact CD2-CD2 3.47Å; L360-L362 HydrophobicContact CD2-CG 3.91Å; L360-L362 HydrophobicContact CG-CD2 3.97Å; L360-L362 HydrophobicContact CG-CG 4.18Å; L360-P385 HydrophobicContact CD1-CB 4.01Å
361	V	97.2	Very high	93.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	120	159.3	-176.3	0	0	0	0	109.1	L280 V288 A363 V384 P385 F386 Y387	L280-V361 HydrophobicContact CB-CG2 4.37Å; L280-V361 HydrophobicContact CD1-CG2 4.47Å; L280-V361 CarbonylContact O-C 3.45Å; L280-V361 WeakPolarHBondContact O-CA 3.36Å; V288-V361 HydrophobicContact CG1-CG1 4.49Å; V288-V361 HydrophobicContact CG2-CG1 4.44Å; V361-A363 HydrophobicContact CG1-CB 4.46Å; V361-V384 HydrophobicContact CG2-CB 4.48Å; V361-V384 HydrophobicContact CG2-CG1 3.83Å; V361-P385 PolarHBondContact N-O 3.4Å; V361-F386 HydrophobicContact CB-CD1 3.98Å; V361-F386 HydrophobicContact CB-CD2 4.02Å; V361-F386 HydrophobicContact CB-CE1 3.83Å; V361-F386 HydrophobicContact CB-CE2 3.86Å; V361-F386 HydrophobicContact CB-CG 4.06Å; V361-F386 HydrophobicContact CB-CZ 3.74Å; V361-F386 HydrophobicContact CG1-CD1 3.94Å; V361-F386 HydrophobicContact CG1-CE1 3.54Å; V361-F386 HydrophobicContact CG1-CE2 4.42Å; V361-F386 HydrophobicContact CG1-CZ 3.79Å; V361-F386 HydrophobicContact CG2-CD2 4.28Å; V361-F386 HydrophobicContact CG2-CE1 4.32Å; V361-F386 HydrophobicContact CG2-CE2 3.72Å; V361-F386 HydrophobicContact CG2-CZ 3.73Å; V361-F386 WeakPolarHBondContact O-CA 3.23Å; V361-Y387 PolarHBondContact O-N 2.79Å
362	L	95.6	Very high	92.9	Very high	27 Å²	27	26.6 Å²	26.6	14%	0.141	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	106.1	174.5	-68.5	179.6	0	0	0	109.4	M200 T279 L280 E281 S282 L360 Y387	M200-L362 HydrophobicContact SD-CD1 4.16Å; M200-L362 HydrophobicContact SD-CD2 4.01Å; T279-L362 HydrophobicContact CG2-CB 4.36Å; T279-L362 HydrophobicContact CG2-CD1 3.68Å; T279-L362 HydrophobicContact CG2-CG 3.72Å; L280-L362 PolarHBondContact O-N 3.29Å; E281-L362 WeakPolarHBondContact CA-O 3.22Å; E281-L362 HydrophobicContact CB-CB 4.31Å; E281-L362 HydrophobicContact CG-CB 4.1Å; E281-L362 HydrophobicContact CG-CD1 4.47Å; S282-L362 PolarHBondContact N-O 3.06Å; L360-L362 HydrophobicContact CD2-CD2 3.47Å; L360-L362 VanDerWaalsContact CD2-CD2 3.47Å; L360-L362 HydrophobicContact CD2-CG 3.91Å; L360-L362 HydrophobicContact CG-CD2 3.97Å; L360-L362 HydrophobicContact CG-CG 4.18Å; L362-Y387 HydrophobicContact CD2-CD1 3.58Å; L362-Y387 HydrophobicContact CD2-CG 4.24Å
363	A	93.7	Very high	92.7	Very high	2 Å²	2	22.4 Å²	22.4	2%	0.017	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	152.8	177.2	0	0	0	0	0	111.4	S282 A285 V361 D365 Y387	S282-A363 WeakPolarHBondContact O-CA 3.37Å; A285-A363 HydrophobicContact CB-CB 4.38Å; V361-A363 HydrophobicContact CG1-CB 4.46Å; A363-D365 PolarHBondContact O-N 2.93Å; A363-Y387 PolarHBondContact N-O 3.19Å
364	V	91.9	Very high	92.5	Very high	37 Å²	37	21.6 Å²	21.6	22%	0.224	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	119.9	165.1	177	0	0	0	0	108.8	N283 F284 A285 N369	N283-V364 WeakPolarHBondContact O-CB 3.32Å; N283-V364 WeakPolarHBondContact O-CG2 3.43Å; N283-V364 PolarHBondContact O-N 3.48Å; F284-V364 HydrophobicContact CD1-CB 3.83Å; F284-V364 HydrophobicContact CD1-CG1 4.21Å; F284-V364 HydrophobicContact CE1-CB 4.08Å; F284-V364 HydrophobicContact CE1-CG1 4.27Å; F284-V364 HydrophobicContact CE1-CG2 4.39Å; A285-V364 PolarHBondContact N-O 2.77Å; V364-N369 WeakPolarHBondContact O-CB 3.26Å
365	D	90.6	Very high	92.3	Very high	5 Å²	5	23.8 Å²	23.8	3%	0.027	13%	0.133	C	C	.	.			trans	-125	21.6	-175	70	-26.6	0	0	0	112.8	A285 A363 Q370 R377 F386 R409	A285-D365 HydrophobicContact CB-CB 4.09Å; A363-D365 PolarHBondContact O-N 2.93Å; D365-Q370 VanDerWaalsContact O-CA 3.3Å; D365-Q370 WeakPolarHBondContact O-CA 3.41Å; D365-R377 IonicContact OD2-CZ 2.63Å; D365-R377 IonicContact OD2-NH1 3.53Å; D365-R377 PolarHBondContact OD2-NH1 3.47Å; D365-R377 IonicContact OD2-NH2 3.29Å; D365-F386 HydrophobicContact CB-CD1 4.4Å; D365-R409 IonicContact OD1-CZ 3.86Å; D365-R409 IonicContact OD1-NE 3.33Å; D365-R409 PolarHBondContact OD1-NE 3.38Å; D365-R409 IonicContact OD1-NH2 3.75Å; D365-R409 IonicContact OD2-CZ 2.84Å; D365-R409 IonicContact OD2-NE 3.68Å; D365-R409 IonicContact OD2-NH2 3.82Å; D365-R409 PolarHBondContact OD2-NH2 3.47Å
366	S	86.6	Confident	92.2	Very high	30 Å²	30	23.7 Å²	23.7	21%	0.21	13%	0.133	C	C	.	.	S	Bend	trans	-114.9	173	175.8	64.3	0	0	0	0	112.2	S368 N369	S366-S368 PolarHBondContact O-N 3.12Å; S366-N369 PolarHBondContact O-N 3.3Å
367	G	84.6	Confident	92.3	Very high	18 Å²	18	23.3 Å²	23.3	19%	0.186	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	54.2	-130.4	-175.8	0	0	0	0	0	111.3	N369 Q370 E497	G367-N369 PolarHBondContact O-N 3.19Å; G367-Q370 VanDerWaalsContact O-CB 3.26Å; G367-Q370 WeakPolarHBondContact O-CB 3.47Å; G367-Q370 PolarHBondContact O-N 3.45Å; G367-E497 VanDerWaalsContact C-OE1 3.22Å
368	S	83.4	Confident	92.4	Very high	16 Å²	16	24.8 Å²	24.8	11%	0.112	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-57.9	-13.4	178.2	73.8	0	0	0	0	115.5	S366 E497 R613	S366-S368 PolarHBondContact O-N 3.12Å; S368-E497 WeakPolarHBondContact CA-OE1 3.44Å; S368-E497 PolarHBondContact N-OE1 3.3Å; S368-R613 PolarHBondContact O-NH2 3.33Å
369	N	89.8	Confident	92.3	Very high	3 Å²	3	28 Å²	28	2%	0.016	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-101	0.1	177.5	-73.3	-81.9	0	0	0	114.5	F284 A285 S286 V364 S366 G367 I371 Y372 G373	F284-N369 WeakPolarHBondContact CB-OD1 3.42Å; F284-N369 WeakPolarHBondContact CD1-ND2 3.44Å; A285-N369 HydrophobicContact CB-CB 4.39Å; S286-N369 VanDerWaalsContact CB-OD1 3.29Å; S286-N369 WeakPolarHBondContact CB-OD1 3.3Å; S286-N369 PolarHBondContact N-OD1 3.25Å; S286-N369 PolarHBondContact OG-OD1 3.3Å; V364-N369 WeakPolarHBondContact O-CB 3.26Å; S366-N369 PolarHBondContact O-N 3.3Å; G367-N369 PolarHBondContact O-N 3.19Å; N369-I371 PolarHBondContact O-N 3.33Å; N369-Y372 PolarHBondContact O-N 3.32Å; N369-G373 PolarHBondContact O-N 3.44Å
370	Q	90.1	Very high	92.5	Very high	62 Å²	62	28.3 Å²	28.3	29%	0.29	14%	0.143	S	C	.	.	H	α-helix	trans	-57.3	-46.5	-179.7	-177.1	179.1	-8.5	0	0	112.3	D365 G367 Y372 G373 E374 L501	D365-Q370 VanDerWaalsContact O-CA 3.3Å; D365-Q370 WeakPolarHBondContact O-CA 3.41Å; G367-Q370 VanDerWaalsContact O-CB 3.26Å; G367-Q370 WeakPolarHBondContact O-CB 3.47Å; G367-Q370 PolarHBondContact O-N 3.45Å; Q370-Y372 VanDerWaalsContact C-N 3.34Å; Q370-Y372 PolarHBondContact O-N 3.37Å; Q370-G373 PolarHBondContact O-N 2.98Å; Q370-E374 VanDerWaalsContact CG-OE1 3.29Å; Q370-E374 WeakPolarHBondContact CG-OE1 3.41Å; Q370-E374 PolarHBondContact NE2-OE1 3.33Å; Q370-E374 WeakPolarHBondContact O-CG 3.29Å; Q370-E374 PolarHBondContact O-N 3.26Å; Q370-L501 HydrophobicContact CB-CD2 4.42Å
371	I	90.6	Very high	92.6	Very high	9 Å²	9	28.3 Å²	28.3	5%	0.046	14%	0.143	C	C	.	.	H	α-helix	trans	-59.4	-43.5	-179	64.4	171.3	0	0	0	112	N369 E374 M375 L501 Y519	N369-I371 PolarHBondContact O-N 3.33Å; I371-E374 PolarHBondContact O-N 2.92Å; I371-M375 VanDerWaalsContact O-CG 3.25Å; I371-M375 WeakPolarHBondContact O-CG 3.28Å; I371-M375 PolarHBondContact O-N 3.38Å; I371-L501 HydrophobicContact CG2-CD1 3.63Å; I371-L501 HydrophobicContact CG2-CD2 3.7Å; I371-L501 HydrophobicContact CG2-CG 4.32Å; I371-Y519 HydrophobicContact CG2-CE1 4.49Å
372	Y	93.1	Very high	92.6	Very high	3 Å²	3	35 Å²	35	1%	0.012	17%	0.168	C	C	.	.	H	α-helix	trans	-71.7	-36	-179.2	-52	-70.9	0	0	0	111.5	S286 F289 Y290 N369 Q370 L376 D518	S286-Y372 VanDerWaalsContact CB-CD2 3.44Å; F289-Y372 HydrophobicContact CB-CD1 4.32Å; F289-Y372 AromaticContact CD1-CD1 3.65Å; F289-Y372 HydrophobicContact CD1-CD1 3.65Å; F289-Y372 HydrophobicContact CD1-CE1 4.23Å; F289-Y372 HydrophobicContact CE1-CD1 4.16Å; F289-Y372 HydrophobicContact CE1-CE1 4.5Å; F289-Y372 AromaticContact CG-CD1 3.99Å; F289-Y372 HydrophobicContact CG-CD1 3.99Å; Y290-Y372 PolarHBondContact OH-OH 3.37Å; N369-Y372 PolarHBondContact O-N 3.32Å; Q370-Y372 VanDerWaalsContact C-N 3.34Å; Q370-Y372 PolarHBondContact O-N 3.37Å; Y372-L376 WeakPolarHBondContact O-CB 3.28Å; Y372-L376 WeakPolarHBondContact O-CD1 3.34Å; Y372-L376 VanDerWaalsContact O-CG 3.24Å; Y372-L376 WeakPolarHBondContact O-CG 3.16Å; Y372-L376 PolarHBondContact O-N 2.77Å; Y372-D518 VanDerWaalsContact OH-CG 3.29Å; Y372-D518 PolarHBondContact OH-OD1 3.07Å; Y372-D518 PolarHBondContact OH-OD2 3.3Å
373	G	93.4	Very high	92.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.5	-43.5	174.3	0	0	0	0	0	112.5	N369 Q370 L376 R377	N369-G373 PolarHBondContact O-N 3.44Å; Q370-G373 PolarHBondContact O-N 2.98Å; G373-L376 PolarHBondContact O-N 3.22Å; G373-R377 WeakPolarHBondContact O-CG 3.45Å; G373-R377 PolarHBondContact O-N 2.89Å
374	E	92.6	Very high	92.6	Very high	45 Å²	45	37 Å²	37	21%	0.21	19%	0.194	C	C	.	.	H	α-helix	trans	-64.9	-50.3	175.1	-71.7	170.7	-169.4	0	0	111.7	Q370 I371 L376 R377 E378 K505	Q370-E374 VanDerWaalsContact CG-OE1 3.29Å; Q370-E374 WeakPolarHBondContact CG-OE1 3.41Å; Q370-E374 PolarHBondContact NE2-OE1 3.33Å; Q370-E374 WeakPolarHBondContact O-CG 3.29Å; Q370-E374 PolarHBondContact O-N 3.26Å; I371-E374 PolarHBondContact O-N 2.92Å; E374-L376 PolarHBondContact O-N 3.2Å; E374-R377 PolarHBondContact O-N 3.22Å; E374-R377 VanDerWaalsContact O-N 3.07Å; E374-E378 WeakPolarHBondContact O-CB 3.48Å; E374-E378 WeakPolarHBondContact O-CG 3.45Å; E374-E378 PolarHBondContact O-N 3.22Å; E374-K505 IonicContact OE1-NZ 3.09Å; E374-K505 PolarHBondContact OE1-NZ 3.26Å; E374-K505 WeakPolarHBondContact OE2-CE 3.33Å; E374-K505 IonicContact OE2-NZ 2.91Å; E374-K505 PolarHBondContact OE2-NZ 3.35Å
375	M	93.3	Very high	92.8	Very high	45 Å²	45	37.7 Å²	37.7	22%	0.222	20%	0.199	C	C	.	.	H	α-helix	trans	-56.3	-38.9	176.8	-69.9	175.4	84.4	0	0	112.4	F289 I371 H379	F289-M375 HydrophobicContact CD2-CB 4.11Å; F289-M375 HydrophobicContact CE2-CB 3.93Å; F289-M375 HydrophobicContact CE2-CE 3.51Å; F289-M375 HydrophobicContact CE2-SD 3.89Å; F289-M375 HydrophobicContact CZ-CE 3.43Å; F289-M375 VanDerWaalsContact CZ-CE 3.43Å; F289-M375 HydrophobicContact CZ-SD 3.97Å; I371-M375 VanDerWaalsContact O-CG 3.25Å; I371-M375 WeakPolarHBondContact O-CG 3.28Å; I371-M375 PolarHBondContact O-N 3.38Å; M375-H379 WeakPolarHBondContact O-CB 3Å; M375-H379 PolarHBondContact O-N 2.69Å
376	L	96.9	Very high	93	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.2	C	C	.	.	I	π-helix	trans	-64.4	-51	174.3	-77.5	165.1	0	0	0	111.7	A285 V288 F289 F292 Y372 G373 E374 E378 H379 Y380 C381 F386	A285-L376 HydrophobicContact CB-CD1 4.2Å; A285-L376 WeakPolarHBondContact O-CD1 3.38Å; V288-L376 HydrophobicContact CB-CD1 3.89Å; V288-L376 HydrophobicContact CG1-CD1 3.99Å; V288-L376 HydrophobicContact CG1-CD2 3.98Å; F289-L376 HydrophobicContact CB-CD1 4.17Å; F289-L376 HydrophobicContact CB-CD2 4.32Å; F289-L376 HydrophobicContact CB-CG 4.1Å; F289-L376 HydrophobicContact CD2-CG 4.43Å; F292-L376 HydrophobicContact CD2-CD2 3.73Å; F292-L376 HydrophobicContact CE2-CD2 4.24Å; Y372-L376 WeakPolarHBondContact O-CB 3.28Å; Y372-L376 WeakPolarHBondContact O-CD1 3.34Å; Y372-L376 VanDerWaalsContact O-CG 3.24Å; Y372-L376 WeakPolarHBondContact O-CG 3.16Å; Y372-L376 PolarHBondContact O-N 2.77Å; G373-L376 PolarHBondContact O-N 3.22Å; E374-L376 PolarHBondContact O-N 3.2Å; L376-E378 VanDerWaalsContact C-N 3.3Å; L376-E378 PolarHBondContact O-N 3.07Å; L376-H379 PolarHBondContact O-N 3.4Å; L376-Y380 HydrophobicContact CD2-CD2 4.15Å; L376-Y380 PolarHBondContact O-N 3.4Å; L376-C381 WeakPolarHBondContact O-CA 3.41Å; L376-C381 WeakPolarHBondContact O-CB 3.46Å; L376-C381 PolarHBondContact O-N 2.98Å; L376-F386 HydrophobicContact CB-CE1 4.22Å; L376-F386 HydrophobicContact CB-CZ 3.7Å; L376-F386 HydrophobicContact CD1-CE1 4.04Å; L376-F386 HydrophobicContact CD1-CZ 4.17Å
377	R	96.2	Very high	93.4	Very high	78 Å²	78	36.6 Å²	36.6	29%	0.294	19%	0.19	S	C	.	.	I	π-helix	trans	-61.2	-38.7	-179.8	-77	-175	-73.3	-92.7	8.5	112.5	D365 G373 E374 R382 F386	D365-R377 IonicContact OD2-CZ 2.63Å; D365-R377 IonicContact OD2-NH1 3.53Å; D365-R377 PolarHBondContact OD2-NH1 3.47Å; D365-R377 IonicContact OD2-NH2 3.29Å; G373-R377 WeakPolarHBondContact O-CG 3.45Å; G373-R377 PolarHBondContact O-N 2.89Å; E374-R377 PolarHBondContact O-N 3.22Å; E374-R377 VanDerWaalsContact O-N 3.07Å; R377-R382 WeakPolarHBondContact O-CA 3.42Å; R377-R382 WeakPolarHBondContact O-CG 3.23Å; R377-F386 HydrophobicContact CG-CD2 3.66Å; R377-F386 HydrophobicContact CG-CE2 3.63Å; R377-F386 HydrophobicContact CG-CG 4.29Å; R377-F386 HydrophobicContact CG-CZ 4.21Å
378	E	94.5	Very high	93.9	Very high	129 Å²	129	35.8 Å²	35.8	60%	0.603	18%	0.181	S	C	*	.	I	π-helix	trans	-84.2	-18.2	-176.5	-68.7	177	-174.9	0	0	113.6	E374 L376 R382	E374-E378 WeakPolarHBondContact O-CB 3.48Å; E374-E378 WeakPolarHBondContact O-CG 3.45Å; E374-E378 PolarHBondContact O-N 3.22Å; L376-E378 VanDerWaalsContact C-N 3.3Å; L376-E378 PolarHBondContact O-N 3.07Å; E378-R382 VanDerWaalsContact O-CZ 3.24Å; E378-R382 PolarHBondContact O-NE 3.23Å; E378-R382 PolarHBondContact O-NH2 2.95Å
379	H	95.4	Very high	94.4	Very high	71 Å²	71	35.8 Å²	35.8	33%	0.329	18%	0.181	S	C	.	.	I	π-helix	trans	-122.5	-85.3	-178.5	-161.4	64.1	0	0	0	112.8	G348 G349 M375 L376	G348-H379 CarbonylContact C-O 3.57Å; G349-H379 PolarHBondContact N-O 2.99Å; M375-H379 WeakPolarHBondContact O-CB 3Å; M375-H379 PolarHBondContact O-N 2.69Å; L376-H379 PolarHBondContact O-N 3.4Å
380	Y	97.7	Very high	94.6	Very high	14 Å²	14	38.1 Å²	38.1	6%	0.055	19%	0.191	C	C	.	.	I	π-helix	trans	-71	-37.4	-167.8	-59.8	-70.6	0	0	0	114.1	F289 F292 Q296 F347 G349 I350 A351 L376	F289-Y380 HydrophobicContact CD2-CE2 4.19Å; F289-Y380 HydrophobicContact CE2-CE2 4.03Å; F292-Y380 HydrophobicContact CB-CD1 3.76Å; F292-Y380 HydrophobicContact CB-CD2 3.57Å; F292-Y380 HydrophobicContact CB-CE1 3.89Å; F292-Y380 HydrophobicContact CB-CE2 3.69Å; F292-Y380 HydrophobicContact CB-CG 3.58Å; F292-Y380 AromaticContact CD1-CD1 3.82Å; F292-Y380 HydrophobicContact CD1-CD1 3.82Å; F292-Y380 AromaticContact CD1-CG 3.86Å; F292-Y380 HydrophobicContact CD1-CG 3.86Å; F292-Y380 HydrophobicContact CD2-CG 4.31Å; F292-Y380 AromaticContact CG-CD1 3.98Å; F292-Y380 HydrophobicContact CG-CD1 3.98Å; F292-Y380 HydrophobicContact CG-CD2 4.04Å; F292-Y380 AromaticContact CG-CG 3.66Å; F292-Y380 HydrophobicContact CG-CG 3.66Å; Q296-Y380 PolarHBondContact OE1-OH 3.41Å; F347-Y380 HydrophobicContact CB-CD1 3.99Å; F347-Y380 HydrophobicContact CB-CE1 3.75Å; F347-Y380 HydrophobicContact CD1-CD1 4.3Å; F347-Y380 AromaticContact CD1-CE1 3.93Å; F347-Y380 HydrophobicContact CD1-CE1 3.93Å; F347-Y380 HydrophobicContact CG-CE1 4.18Å; G349-Y380 CarbonylContact C-O 3.57Å; I350-Y380 HydrophobicContact CG2-CD1 3.85Å; I350-Y380 PolarHBondContact N-O 2.98Å; A351-Y380 VanDerWaalsContact CB-O 3.28Å; A351-Y380 WeakPolarHBondContact CB-O 3.25Å; A351-Y380 PolarHBondContact N-O 2.84Å; L376-Y380 HydrophobicContact CD2-CD2 4.15Å; L376-Y380 PolarHBondContact O-N 3.4Å
381	C	97.9	Very high	94.8	Very high	1 Å²	1	36 Å²	36	1%	0.007	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	29.4	-170.1	-62.1	0	0	0	0	113.1	L376 G383 V384 F386	L376-C381 WeakPolarHBondContact O-CA 3.41Å; L376-C381 WeakPolarHBondContact O-CB 3.46Å; L376-C381 PolarHBondContact O-N 2.98Å; C381-G383 PolarHBondContact O-N 3.03Å; C381-V384 HydrophobicContact CB-CB 4.27Å; C381-V384 HydrophobicContact CB-CG2 4.32Å; C381-V384 WeakPolarHBondContact O-CB 3.45Å; C381-V384 PolarHBondContact O-N 3.37Å; C381-F386 HydrophobicContact CB-CE2 3.89Å; C381-F386 HydrophobicContact CB-CZ 4.07Å
382	R	96.7	Very high	94.9	Very high	140 Å²	140	37.3 Å²	37.3	53%	0.528	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	128	177.7	-74.2	178.6	-177.2	-177.2	-1.1	111.7	R377 E378 V384	R377-R382 WeakPolarHBondContact O-CA 3.42Å; R377-R382 WeakPolarHBondContact O-CG 3.23Å; E378-R382 VanDerWaalsContact O-CZ 3.24Å; E378-R382 PolarHBondContact O-NE 3.23Å; E378-R382 PolarHBondContact O-NH2 2.95Å; R382-V384 VanDerWaalsContact C-N 3.25Å; R382-V384 PolarHBondContact O-N 3.31Å
383	G	93.8	Very high	94.7	Very high	63 Å²	63	38.6 Å²	38.6	65%	0.649	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.4	8.8	179.3	0	0	0	0	0	115.1	K352 C381	K352-G383 WeakPolarHBondContact CE-O 3.35Å; K352-G383 PolarHBondContact NZ-O 3.31Å; C381-G383 PolarHBondContact O-N 3.03Å
384	V	96.4	Very high	94.4	Very high	8 Å²	8	39.9 Å²	39.9	5%	0.048	21%	0.212	C	C	.	.			trans	-96.8	125	171.8	-170.5	0	0	0	0	109.1	K352 L358 V361 C381 R382 F386	K352-V384 HydrophobicContact CD-CG2 4.21Å; K352-V384 HydrophobicContact CG-CG2 3.68Å; L358-V384 HydrophobicContact CD2-CG1 4.26Å; L358-V384 HydrophobicContact CD2-CG2 3.99Å; L358-V384 HydrophobicContact CG-CG1 4.06Å; L358-V384 HydrophobicContact CG-CG2 4.36Å; V361-V384 HydrophobicContact CG2-CB 4.48Å; V361-V384 HydrophobicContact CG2-CG1 3.83Å; C381-V384 HydrophobicContact CB-CB 4.27Å; C381-V384 HydrophobicContact CB-CG2 4.32Å; C381-V384 WeakPolarHBondContact O-CB 3.45Å; C381-V384 PolarHBondContact O-N 3.37Å; R382-V384 VanDerWaalsContact C-N 3.25Å; R382-V384 PolarHBondContact O-N 3.31Å; V384-F386 WeakPolarHBondContact O-CD2 3.4Å
385	P	95.4	Very high	94.4	Very high	51 Å²	51	38 Å²	38	33%	0.331	20%	0.204	S	C	.	.			trans	-59.6	149	172.6	-24.4	33.3	0	0	0	113.2	F204 N359 L360 V361	F204-P385 HydrophobicContact CD1-CB 4.39Å; F204-P385 HydrophobicContact CD1-CG 4.5Å; F204-P385 HydrophobicContact CE1-CB 3.73Å; F204-P385 HydrophobicContact CE1-CG 4.16Å; F204-P385 HydrophobicContact CZ-CB 4.09Å; N359-P385 WeakPolarHBondContact O-CD 3.48Å; L360-P385 HydrophobicContact CD1-CB 4.01Å; V361-P385 PolarHBondContact N-O 3.4Å
386	F	95.4	Very high	94.3	Very high	11 Å²	11	36.1 Å²	36.1	5%	0.048	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	136.5	174.4	-84	-117.4	0	0	0	109.3	V361 D365 L376 R377 C381 V384	V361-F386 HydrophobicContact CB-CD1 3.98Å; V361-F386 HydrophobicContact CB-CD2 4.02Å; V361-F386 HydrophobicContact CB-CE1 3.83Å; V361-F386 HydrophobicContact CB-CE2 3.86Å; V361-F386 HydrophobicContact CB-CG 4.06Å; V361-F386 HydrophobicContact CB-CZ 3.74Å; V361-F386 HydrophobicContact CG1-CD1 3.94Å; V361-F386 HydrophobicContact CG1-CE1 3.54Å; V361-F386 HydrophobicContact CG1-CE2 4.42Å; V361-F386 HydrophobicContact CG1-CZ 3.79Å; V361-F386 HydrophobicContact CG2-CD2 4.28Å; V361-F386 HydrophobicContact CG2-CE1 4.32Å; V361-F386 HydrophobicContact CG2-CE2 3.72Å; V361-F386 HydrophobicContact CG2-CZ 3.73Å; V361-F386 WeakPolarHBondContact O-CA 3.23Å; D365-F386 HydrophobicContact CB-CD1 4.4Å; L376-F386 HydrophobicContact CB-CE1 4.22Å; L376-F386 HydrophobicContact CB-CZ 3.7Å; L376-F386 HydrophobicContact CD1-CE1 4.04Å; L376-F386 HydrophobicContact CD1-CZ 4.17Å; R377-F386 HydrophobicContact CG-CD2 3.66Å; R377-F386 HydrophobicContact CG-CE2 3.63Å; R377-F386 HydrophobicContact CG-CG 4.29Å; R377-F386 HydrophobicContact CG-CZ 4.21Å; C381-F386 HydrophobicContact CB-CE2 3.89Å; C381-F386 HydrophobicContact CB-CZ 4.07Å; V384-F386 WeakPolarHBondContact O-CD2 3.4Å
387	Y	95.4	Very high	94.2	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.008	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	124.3	175.6	175.6	-134.5	0	0	0	110.9	C196 M200 F204 V361 L362 A363 P389 N401 P404	C196-Y387 WeakPolarHBondContact CB-OH 3.13Å; M200-Y387 HydrophobicContact CB-CD1 4.22Å; M200-Y387 HydrophobicContact CB-CE1 3.85Å; M200-Y387 HydrophobicContact CG-CD1 4.08Å; M200-Y387 HydrophobicContact CG-CE1 4.22Å; F204-Y387 HydrophobicContact CE2-CG 4.43Å; V361-Y387 PolarHBondContact O-N 2.79Å; L362-Y387 HydrophobicContact CD2-CD1 3.58Å; L362-Y387 HydrophobicContact CD2-CG 4.24Å; A363-Y387 PolarHBondContact N-O 3.19Å; Y387-P389 HydrophobicContact CD1-CB 4.29Å; Y387-P389 HydrophobicContact CE1-CB 3.68Å; Y387-P389 WeakPolarHBondContact O-CD 3.4Å; Y387-N401 HydrophobicContact CE2-CB 3.85Å; Y387-N401 PolarHBondContact OH-O 2.72Å; Y387-P404 HydrophobicContact CD1-CB 4.4Å; Y387-P404 HydrophobicContact CD2-CB 3.42Å; Y387-P404 VanDerWaalsContact CD2-CB 3.42Å; Y387-P404 HydrophobicContact CD2-CG 4.01Å; Y387-P404 HydrophobicContact CE1-CB 4.49Å; Y387-P404 HydrophobicContact CE1-CG 4.36Å; Y387-P404 HydrophobicContact CE2-CB 3.51Å; Y387-P404 HydrophobicContact CE2-CG 3.55Å; Y387-P404 HydrophobicContact CG-CB 3.9Å
388	S	94.8	Very high	94.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.182	C	C	.	.			trans	-101.8	100.2	171.2	179.9	0	0	0	0	108.6	N401 Y411	S388-N401 WeakPolarHBondContact O-CB 3.28Å; S388-N401 PolarHBondContact O-ND2 3.37Å; S388-N401 VanDerWaalsContact O-ND2 3.16Å; S388-Y411 PolarHBondContact OG-OH 3.44Å
389	P	94	Very high	94.4	Very high	17 Å²	17	26.3 Å²	26.3	11%	0.11	15%	0.153	C	C	.	.			trans	-76.4	-33.7	-168.7	26.5	-34.3	0	0	0	113.9	C196 Y387 N401	C196-P389 HydrophobicContact CB-CB 3.78Å; C196-P389 PolarHBondContact SG-O 2.91Å; Y387-P389 HydrophobicContact CD1-CB 4.29Å; Y387-P389 HydrophobicContact CE1-CB 3.68Å; Y387-P389 WeakPolarHBondContact O-CD 3.4Å; P389-N401 PolarHBondContact O-N 2.84Å
390	F	92.3	Very high	94.5	Very high	51 Å²	51	23 Å²	23	22%	0.224	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	137	-167.4	-44.9	-57.4	0	0	0	111.5	F188 G192 V193 C196 A392 L397 Y411	F188-F390 HydrophobicContact CE1-CD2 4.37Å; F188-F390 HydrophobicContact CE1-CE2 4.35Å; F188-F390 HydrophobicContact CZ-CD2 4.01Å; F188-F390 HydrophobicContact CZ-CE2 4.44Å; F188-F390 HydrophobicContact CZ-CG 4.29Å; G192-F390 VanDerWaalsContact C-CE1 3.44Å; V193-F390 HydrophobicContact CB-CZ 4.38Å; V193-F390 HydrophobicContact CG2-CE1 4.48Å; V193-F390 HydrophobicContact CG2-CZ 3.89Å; C196-F390 HydrophobicContact CB-CD1 4.41Å; C196-F390 HydrophobicContact CB-CE1 3.68Å; C196-F390 HydrophobicContact CB-CZ 4.33Å; C196-F390 VanDerWaalsContact SG-CE1 3.51Å; F390-A392 HydrophobicContact CB-CB 4.37Å; F390-L397 HydrophobicContact CB-CD1 4.4Å; F390-L397 HydrophobicContact CD1-CD1 4.37Å; F390-Y411 VanDerWaalsContact C-CE1 3.46Å
391	Y	94.5	Very high	94.5	Very high	17 Å²	17	22.3 Å²	22.3	7%	0.067	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	108.4	153.7	175	-148.1	0	0	0	107.6	I398 G399 Y411 D464 V466 V478 F480	Y391-I398 HydrophobicContact CD1-CB 3.84Å; Y391-I398 HydrophobicContact CD1-CD1 4.49Å; Y391-I398 HydrophobicContact CD1-CG2 3.56Å; Y391-I398 HydrophobicContact CD2-CD1 4.29Å; Y391-I398 HydrophobicContact CE1-CB 4Å; Y391-I398 HydrophobicContact CE1-CD1 4.06Å; Y391-I398 HydrophobicContact CE1-CG2 3.42Å; Y391-I398 VanDerWaalsContact CE1-CG2 3.42Å; Y391-I398 HydrophobicContact CE2-CD1 3.82Å; Y391-I398 HydrophobicContact CG-CB 4.21Å; Y391-I398 HydrophobicContact CG-CG2 4.42Å; Y391-I398 WeakPolarHBondContact O-CA 3.4Å; Y391-I398 WeakPolarHBondContact O-CB 3.29Å; Y391-I398 PolarHBondContact O-N 2.88Å; Y391-G399 PolarHBondContact N-O 3.3Å; Y391-G399 PolarHBondContact O-N 3.31Å; Y391-Y411 VanDerWaalsContact CB-CG 3.49Å; Y391-Y411 HydrophobicContact CG-CG 4.47Å; Y391-D464 WeakPolarHBondContact CE2-OD2 3.17Å; Y391-D464 WeakPolarHBondContact OH-CB 3.45Å; Y391-D464 PolarHBondContact OH-OD2 2.72Å; Y391-V466 HydrophobicContact CE1-CG1 4.03Å; Y391-V478 HydrophobicContact CD1-CG2 4.35Å; Y391-F480 HydrophobicContact CE2-CD2 4.24Å
392	A	92.4	Very high	94.4	Very high	38 Å²	38	23.2 Å²	23.2	31%	0.314	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	157.4	-176.1	0	0	0	0	0	111.5	F188 F390 G396	F188-A392 HydrophobicContact CE2-CB 3.69Å; F188-A392 HydrophobicContact CZ-CB 4.48Å; F390-A392 HydrophobicContact CB-CB 4.37Å; A392-G396 WeakPolarHBondContact CA-O 3.17Å; A392-G396 WeakPolarHBondContact CB-O 3.45Å
393	A	88.9	Confident	94.4	Very high	30 Å²	30	19.2 Å²	19.2	25%	0.248	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	-172.7	176.4	0	0	0	0	0	110.2	E395 G396 I398 I462	A393-E395 WeakPolarHBondContact CB-OE2 3.32Å; A393-E395 PolarHBondContact O-N 2.71Å; A393-G396 PolarHBondContact N-O 2.84Å; A393-G396 PolarHBondContact O-N 2.6Å; A393-I398 HydrophobicContact CB-CD1 4.25Å; A393-I462 HydrophobicContact CB-CD1 4Å
394	T	88	Confident	94.4	Very high	26 Å²	26	16.7 Å²	16.7	16%	0.16	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-29.4	177.7	-55.2	0	0	0	0	110.8	A166 T168 L178 G396	A166-T394 HydrophobicContact CB-CG2 3.53Å; T168-T394 HydrophobicContact CG2-CG2 3.98Å; L178-T394 HydrophobicContact CB-CG2 4.41Å; L178-T394 HydrophobicContact CD1-CG2 3.97Å; L178-T394 HydrophobicContact CG-CG2 4.49Å; T394-G396 PolarHBondContact O-N 2.79Å
395	E	91.6	Very high	94.2	Very high	7 Å²	7	23 Å²	23	3%	0.033	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-23.3	173	-64.1	79.6	174.2	0	0	113.2	L178 A393 M418 I451 N453 L457 Y460 I462	L178-E395 HydrophobicContact CD1-CG 3.78Å; A393-E395 WeakPolarHBondContact CB-OE2 3.32Å; A393-E395 PolarHBondContact O-N 2.71Å; E395-M418 WeakPolarHBondContact O-CE 3.32Å; E395-I451 HydrophobicContact CB-CD1 3.72Å; E395-I451 HydrophobicContact CG-CD1 4.03Å; E395-N453 PolarHBondContact O-ND2 2.89Å; E395-L457 HydrophobicContact CB-CD1 4.16Å; E395-L457 HydrophobicContact CG-CD1 3.66Å; E395-Y460 HydrophobicContact CG-CD1 4.35Å; E395-Y460 HydrophobicContact CG-CE1 3.86Å; E395-Y460 WeakPolarHBondContact OE1-CE1 3.35Å; E395-Y460 PolarHBondContact OE1-OH 2.85Å; E395-I462 HydrophobicContact CG-CD1 4.43Å; E395-I462 HydrophobicContact CG-CG1 4.32Å
396	G	92.2	Very high	94	Very high	5 Å²	5	23.2 Å²	23.2	5%	0.052	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	129.7	-166.8	176.9	0	0	0	0	0	114.3	A392 A393 T394	A392-G396 WeakPolarHBondContact CA-O 3.17Å; A392-G396 WeakPolarHBondContact CB-O 3.45Å; A393-G396 PolarHBondContact N-O 2.84Å; A393-G396 PolarHBondContact O-N 2.6Å; T394-G396 PolarHBondContact O-N 2.79Å
397	L	95.5	Very high	93.5	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	123.3	177.8	175.7	71.9	0	0	0	110.5	F188 Q191 G192 F390 V400 C414 S417 M418	F188-L397 HydrophobicContact CB-CB 4.44Å; F188-L397 HydrophobicContact CD2-CB 3.77Å; F188-L397 HydrophobicContact CE2-CB 4.42Å; F188-L397 HydrophobicContact CG-CB 4.39Å; Q191-L397 HydrophobicContact CB-CD2 3.87Å; G192-L397 VanDerWaalsContact N-CD2 3.28Å; F390-L397 HydrophobicContact CB-CD1 4.4Å; F390-L397 HydrophobicContact CD1-CD1 4.37Å; L397-V400 HydrophobicContact CD1-CG1 4.26Å; L397-C414 HydrophobicContact CD2-CB 4.39Å; L397-S417 WeakPolarHBondContact O-CB 3.46Å; L397-S417 PolarHBondContact O-OG 2.98Å; L397-M418 VanDerWaalsContact O-CE 3.26Å; L397-M418 WeakPolarHBondContact O-CE 3.28Å; L397-M418 VanDerWaalsContact O-CG 3.31Å; L397-M418 WeakPolarHBondContact O-CG 3.42Å
398	I	96.6	Very high	93.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	-46.3	-180	-58.7	161.3	0	0	0	110.2	Y391 A393 L413 C414 M418 L449 I462	Y391-I398 HydrophobicContact CD1-CB 3.84Å; Y391-I398 HydrophobicContact CD1-CD1 4.49Å; Y391-I398 HydrophobicContact CD1-CG2 3.56Å; Y391-I398 HydrophobicContact CD2-CD1 4.29Å; Y391-I398 HydrophobicContact CE1-CB 4Å; Y391-I398 HydrophobicContact CE1-CD1 4.06Å; Y391-I398 HydrophobicContact CE1-CG2 3.42Å; Y391-I398 VanDerWaalsContact CE1-CG2 3.42Å; Y391-I398 HydrophobicContact CE2-CD1 3.82Å; Y391-I398 HydrophobicContact CG-CB 4.21Å; Y391-I398 HydrophobicContact CG-CG2 4.42Å; Y391-I398 WeakPolarHBondContact O-CA 3.4Å; Y391-I398 WeakPolarHBondContact O-CB 3.29Å; Y391-I398 PolarHBondContact O-N 2.88Å; A393-I398 HydrophobicContact CB-CD1 4.25Å; I398-L413 HydrophobicContact CG2-CD2 3.76Å; I398-C414 PolarHBondContact O-N 2.98Å; I398-M418 HydrophobicContact CG1-CE 4.34Å; I398-L449 HydrophobicContact CG2-CD2 3.49Å; I398-L449 VanDerWaalsContact CG2-CD2 3.49Å; I398-I462 HydrophobicContact CD1-CD1 3.45Å; I398-I462 VanDerWaalsContact CD1-CD1 3.45Å; I398-I462 HydrophobicContact CG1-CD1 4.48Å
399	G	97.3	Very high	93	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	167.3	-179.1	0	0	0	0	0	114	Y391 L412	Y391-G399 PolarHBondContact N-O 3.3Å; Y391-G399 PolarHBondContact O-N 3.31Å; G399-L412 CarbonylContact C-O 3.53Å; G399-L412 WeakPolarHBondContact CA-O 3.38Å
400	V	97.8	Very high	93	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	138.4	-178.8	-71.5	0	0	0	0	110.9	L88 Q191 V195 C196 L397 L402 Y411 L412	L88-V400 HydrophobicContact CD2-CG2 3.97Å; Q191-V400 WeakPolarHBondContact O-CG1 3.37Å; V195-V400 HydrophobicContact CG1-CG2 4.27Å; C196-V400 VanDerWaalsContact SG-CB 3.58Å; C196-V400 VanDerWaalsContact SG-CG1 3.6Å; L397-V400 HydrophobicContact CD1-CG1 4.26Å; V400-L402 HydrophobicContact CG2-CD2 4Å; V400-L402 HydrophobicContact CG2-CG 4.29Å; V400-L402 PolarHBondContact O-N 2.54Å; V400-Y411 WeakPolarHBondContact O-CA 3.35Å; V400-L412 HydrophobicContact CG2-CB 4.47Å; V400-L412 PolarHBondContact N-O 2.86Å; V400-L412 PolarHBondContact O-N 3.28Å
401	N	97.4	Very high	93.3	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	18%	0.181	C	C	.	.			trans	-85.5	110.7	175	-178	-9.8	0	0	0	109.7	Y387 S388 P389 W403 R410 Y411	Y387-N401 HydrophobicContact CE2-CB 3.85Å; Y387-N401 PolarHBondContact OH-O 2.72Å; S388-N401 WeakPolarHBondContact O-CB 3.28Å; S388-N401 PolarHBondContact O-ND2 3.37Å; S388-N401 VanDerWaalsContact O-ND2 3.16Å; P389-N401 PolarHBondContact O-N 2.84Å; N401-W403 VanDerWaalsContact OD1-C 3.29Å; N401-W403 WeakPolarHBondContact OD1-CA 3.24Å; N401-W403 PolarHBondContact OD1-N 3.33Å; N401-W403 PolarHBondContact OD1-O 3.3Å; N401-R410 PolarHBondContact OD1-O 3.45Å; N401-Y411 HydrophobicContact CB-CD1 3.8Å; N401-Y411 HydrophobicContact CB-CE1 3.85Å
402	L	96.7	Very high	93.5	Very high	19 Å²	19	33.4 Å²	33.4	10%	0.099	18%	0.178	C	C	.	.			trans	-94.3	0	178.2	-60	-174.2	0	0	0	113.7	L88 V195 A199 V400 P404 L412	L88-L402 HydrophobicContact CD2-CD1 4.46Å; V195-L402 HydrophobicContact CG1-CD2 3.67Å; A199-L402 HydrophobicContact CB-CD2 4.36Å; V400-L402 HydrophobicContact CG2-CD2 4Å; V400-L402 HydrophobicContact CG2-CG 4.29Å; V400-L402 PolarHBondContact O-N 2.54Å; L402-P404 VanDerWaalsContact C-CD 3.46Å; L402-P404 WeakPolarHBondContact O-CD 3.41Å; L402-L412 HydrophobicContact CD1-CB 4.26Å; L402-L412 HydrophobicContact CD1-CD2 3.52Å; L402-L412 HydrophobicContact CG-CB 4.45Å; L402-L412 HydrophobicContact CG-CD2 4.5Å
403	W	96	Very high	93.7	Very high	57 Å²	57	31.6 Å²	31.6	22%	0.216	16%	0.163	C	C	.	.			trans	-123.7	67.8	-176.3	-54.6	-87.6	0	0	0	111.3	N401 Q405 E406 R410 L412 I477	N401-W403 VanDerWaalsContact OD1-C 3.29Å; N401-W403 WeakPolarHBondContact OD1-CA 3.24Å; N401-W403 PolarHBondContact OD1-N 3.33Å; N401-W403 PolarHBondContact OD1-O 3.3Å; W403-Q405 PolarHBondContact O-N 2.83Å; W403-Q405 VanDerWaalsContact O-N 3.08Å; W403-E406 HydrophobicContact CB-CB 4.21Å; W403-E406 VanDerWaalsContact CB-CD 3.49Å; W403-E406 HydrophobicContact CB-CG 3.81Å; W403-E406 PolarHBondContact O-N 2.83Å; W403-E406 VanDerWaalsContact O-N 3.13Å; W403-R410 HydrophobicContact CE3-CB 4.34Å; W403-L412 HydrophobicContact CH2-CB 4.22Å; W403-L412 HydrophobicContact CZ3-CB 4.29Å; W403-I477 HydrophobicContact CH2-CD1 3.43Å; W403-I477 VanDerWaalsContact CH2-CD1 3.43Å; W403-I477 HydrophobicContact CH2-CG1 3.67Å; W403-I477 HydrophobicContact CH2-CG2 4.05Å; W403-I477 HydrophobicContact CZ2-CD1 3.72Å; W403-I477 HydrophobicContact CZ2-CG1 4.44Å; W403-I477 HydrophobicContact CZ3-CD1 4.26Å; W403-I477 HydrophobicContact CZ3-CG1 4.3Å; W403-I477 HydrophobicContact CZ3-CG2 3.82Å
404	P	93.8	Very high	94.1	Very high	9 Å²	9	30.2 Å²	30.2	6%	0.058	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-21.6	-170.7	-22.7	34.5	0	0	0	115.5	A199 A203 F204 Y387 L402	A199-P404 HydrophobicContact CB-CG 4.29Å; A203-P404 HydrophobicContact CB-CB 3.68Å; A203-P404 HydrophobicContact CB-CG 3.59Å; F204-P404 HydrophobicContact CD2-CB 4.33Å; F204-P404 HydrophobicContact CE2-CB 3.43Å; F204-P404 VanDerWaalsContact CE2-CB 3.43Å; F204-P404 HydrophobicContact CZ-CB 3.89Å; Y387-P404 HydrophobicContact CD1-CB 4.4Å; Y387-P404 HydrophobicContact CD2-CB 3.42Å; Y387-P404 VanDerWaalsContact CD2-CB 3.42Å; Y387-P404 HydrophobicContact CD2-CG 4.01Å; Y387-P404 HydrophobicContact CE1-CB 4.49Å; Y387-P404 HydrophobicContact CE1-CG 4.36Å; Y387-P404 HydrophobicContact CE2-CB 3.51Å; Y387-P404 HydrophobicContact CE2-CG 3.55Å; Y387-P404 HydrophobicContact CG-CB 3.9Å; L402-P404 VanDerWaalsContact C-CD 3.46Å; L402-P404 WeakPolarHBondContact O-CD 3.41Å
405	Q	91.6	Very high	94.5	Very high	142 Å²	142	29 Å²	29	66%	0.664	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	-11.4	-178.2	-65.4	-178.1	-21.1	0	0	113.3	A203 F204 W403	A203-Q405 HydrophobicContact CB-CG 4.08Å; A203-Q405 PolarHBondContact O-NE2 2.84Å; F204-Q405 HydrophobicContact CE1-CG 4.06Å; F204-Q405 HydrophobicContact CZ-CG 4.25Å; W403-Q405 PolarHBondContact O-N 2.83Å; W403-Q405 VanDerWaalsContact O-N 3.08Å
406	E	91.3	Very high	94.7	Very high	55 Å²	55	31.5 Å²	31.5	26%	0.257	15%	0.153	S	C	.	.			trans	-73.1	141.2	179.9	-71.4	-176.3	179.1	0	0	111.1	W403 R409 R410	W403-E406 HydrophobicContact CB-CB 4.21Å; W403-E406 VanDerWaalsContact CB-CD 3.49Å; W403-E406 HydrophobicContact CB-CG 3.81Å; W403-E406 PolarHBondContact O-N 2.83Å; W403-E406 VanDerWaalsContact O-N 3.13Å; E406-R409 PolarHBondContact O-NH1 3.01Å; E406-R410 IonicContact OE1-CZ 2.84Å; E406-R410 IonicContact OE1-NH2 3.78Å; E406-R410 PolarHBondContact OE1-NH2 3.42Å; E406-R410 IonicContact OE2-CZ 3.81Å; E406-R410 IonicContact OE2-NE 3.65Å; E406-R410 PolarHBondContact OE2-NE 3Å; E406-R410 IonicContact OE2-NH2 3.74Å; E406-R410 PolarHBondContact OE2-NH2 2.9Å
407	P	85.4	Confident	94.8	Very high	105 Å²	105	31.6 Å²	31.6	68%	0.682	15%	0.153	S	C	*	.	S	Bend	trans	-66.4	-43.3	179.6	26.1	-32.6	0	0	0	111.1	R409	P407-R409 PolarHBondContact O-NH1 3Å
408	D	87.4	Confident	94.8	Very high	103 Å²	103	31.7 Å²	31.7	55%	0.551	15%	0.153	S	C	*	.	S	Bend	trans	-79.3	134.1	179.3	-59.8	-46.2	0	0	0	110.8	R410	D408-R410 PolarHBondContact O-N 3.31Å; D408-R410 VanDerWaalsContact O-N 3.16Å
409	R	91.2	Very high	94.9	Very high	40 Å²	40	31.8 Å²	31.8	15%	0.151	15%	0.154	C	C	.	.			trans	-84.5	95.2	-175.6	-58.3	-58.4	-179.4	-120.8	1.2	110.1	D365 E406 P407 Y411	D365-R409 IonicContact OD1-CZ 3.86Å; D365-R409 IonicContact OD1-NE 3.33Å; D365-R409 PolarHBondContact OD1-NE 3.38Å; D365-R409 IonicContact OD1-NH2 3.75Å; D365-R409 IonicContact OD2-CZ 2.84Å; D365-R409 IonicContact OD2-NE 3.68Å; D365-R409 IonicContact OD2-NH2 3.82Å; D365-R409 PolarHBondContact OD2-NH2 3.47Å; E406-R409 PolarHBondContact O-NH1 3.01Å; P407-R409 PolarHBondContact O-NH1 3Å; R409-Y411 HydrophobicContact CB-CE2 3.99Å; R409-Y411 WeakPolarHBondContact O-CE2 3.41Å
410	R	95.3	Very high	94.9	Very high	58 Å²	58	31.9 Å²	31.9	22%	0.219	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	144.5	178.2	-51.3	-165	-69.9	171.4	-1.3	111.6	N401 W403 E406 D408 I477 E479	N401-R410 PolarHBondContact OD1-O 3.45Å; W403-R410 HydrophobicContact CE3-CB 4.34Å; E406-R410 IonicContact OE1-CZ 2.84Å; E406-R410 IonicContact OE1-NH2 3.78Å; E406-R410 PolarHBondContact OE1-NH2 3.42Å; E406-R410 IonicContact OE2-CZ 3.81Å; E406-R410 IonicContact OE2-NE 3.65Å; E406-R410 PolarHBondContact OE2-NE 3Å; E406-R410 IonicContact OE2-NH2 3.74Å; E406-R410 PolarHBondContact OE2-NH2 2.9Å; D408-R410 PolarHBondContact O-N 3.31Å; D408-R410 VanDerWaalsContact O-N 3.16Å; R410-I477 HydrophobicContact CB-CG2 3.82Å; R410-E479 HydrophobicContact CB-CG 4.45Å; R410-E479 WeakPolarHBondContact CD-OE1 3.29Å; R410-E479 HydrophobicContact CG-CG 3.74Å; R410-E479 WeakPolarHBondContact CG-OE1 3.46Å
411	Y	97.9	Very high	94.9	Very high	5 Å²	5	31.9 Å²	31.9	2%	0.02	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	127.4	-176.3	-56.4	-88.2	0	0	0	110.5	S388 F390 Y391 V400 N401 R409 V478	S388-Y411 PolarHBondContact OG-OH 3.44Å; F390-Y411 VanDerWaalsContact C-CE1 3.46Å; Y391-Y411 VanDerWaalsContact CB-CG 3.49Å; Y391-Y411 HydrophobicContact CG-CG 4.47Å; V400-Y411 WeakPolarHBondContact O-CA 3.35Å; N401-Y411 HydrophobicContact CB-CD1 3.8Å; N401-Y411 HydrophobicContact CB-CE1 3.85Å; R409-Y411 HydrophobicContact CB-CE2 3.99Å; R409-Y411 WeakPolarHBondContact O-CE2 3.41Å; Y411-V478 PolarHBondContact N-O 3.33Å; Y411-V478 WeakPolarHBondContact O-CG2 3.4Å; Y411-V478 PolarHBondContact O-N 2.94Å
412	L	98.4	Very high	95	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	125.8	168.3	-176.6	62.6	0	0	0	108.8	L88 T92 G399 V400 L402 W403 H472 C475 I477	L88-L412 HydrophobicContact CD2-CD2 4.12Å; L88-L412 HydrophobicContact CG-CD2 4.31Å; T92-L412 HydrophobicContact CG2-CD2 3.86Å; G399-L412 CarbonylContact C-O 3.53Å; G399-L412 WeakPolarHBondContact CA-O 3.38Å; V400-L412 HydrophobicContact CG2-CB 4.47Å; V400-L412 PolarHBondContact N-O 2.86Å; V400-L412 PolarHBondContact O-N 3.28Å; L402-L412 HydrophobicContact CD1-CB 4.26Å; L402-L412 HydrophobicContact CD1-CD2 3.52Å; L402-L412 HydrophobicContact CG-CB 4.45Å; L402-L412 HydrophobicContact CG-CD2 4.5Å; W403-L412 HydrophobicContact CH2-CB 4.22Å; W403-L412 HydrophobicContact CZ3-CB 4.29Å; L412-H472 HydrophobicContact CD1-CB 3.64Å; L412-H472 HydrophobicContact CD2-CB 4.18Å; L412-C475 HydrophobicContact CD1-CB 3.87Å; L412-I477 HydrophobicContact CD1-CG1 4.16Å
413	L	97.9	Very high	95	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	149.2	177.6	-65	179.7	0	0	0	111.4	I398 P415 F422 M438 P476 V478	I398-L413 HydrophobicContact CG2-CD2 3.76Å; L413-P415 WeakPolarHBondContact O-CD 3.21Å; L413-F422 HydrophobicContact CD1-CE1 4Å; L413-F422 HydrophobicContact CD1-CZ 3.52Å; L413-M438 HydrophobicContact CB-CE 3.83Å; L413-M438 HydrophobicContact CD1-CE 3.88Å; L413-P476 HydrophobicContact CD1-CB 4.17Å; L413-P476 PolarHBondContact N-O 2.97Å; L413-V478 HydrophobicContact CD1-CG1 4.06Å; L413-V478 HydrophobicContact CD2-CG1 4.39Å; L413-V478 HydrophobicContact CD2-CG2 3.67Å; L413-V478 HydrophobicContact CG-CG1 4.14Å; L413-V478 HydrophobicContact CG-CG2 4.13Å
414	C	97.3	Very high	95.1	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.007	15%	0.146	C	C	.	.			trans	-100.8	92.2	-179.8	-70.8	0	0	0	0	110.3	L397 I398 R416 S417 M418	L397-C414 HydrophobicContact CD2-CB 4.39Å; I398-C414 PolarHBondContact O-N 2.98Å; C414-R416 PolarHBondContact O-N 3.38Å; C414-S417 PolarHBondContact O-N 3.16Å; C414-M418 PolarHBondContact O-N 2.93Å; C414-M418 VanDerWaalsContact O-N 3.13Å
415	P	95.6	Very high	95	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.006	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-11.5	-169.6	29.1	-38.2	0	0	0	114.2	D91 V95 V98 Q99 T102 L413 M438	D91-P415 HydrophobicContact CB-CG 4.2Å; V95-P415 HydrophobicContact CG2-CB 4.14Å; V98-P415 HydrophobicContact CG1-CB 3.93Å; V98-P415 HydrophobicContact CG1-CG 4.08Å; Q99-P415 HydrophobicContact CG-CB 4.27Å; Q99-P415 PolarHBondContact NE2-O 3.47Å; T102-P415 PolarHBondContact OG1-O 2.69Å; L413-P415 WeakPolarHBondContact O-CD 3.21Å; P415-M438 HydrophobicContact CB-CE 4.49Å; P415-M438 HydrophobicContact CB-SD 4.27Å
416	R	95.6	Very high	94.9	Very high	59 Å²	59	30.9 Å²	30.9	22%	0.223	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-10.8	171.2	-65.8	-166.9	-178.4	-80.9	-0.1	113.7	D91 V98 E101 R106 Q191 C414	D91-R416 IonicContact OD1-CZ 3.38Å; D91-R416 VanDerWaalsContact OD1-CZ 3.25Å; D91-R416 IonicContact OD1-NE 2.84Å; D91-R416 PolarHBondContact OD1-NE 3.05Å; D91-R416 IonicContact OD1-NH2 3.97Å; D91-R416 PolarHBondContact OD1-NH2 3.41Å; D91-R416 WeakPolarHBondContact OD2-CD 3.25Å; D91-R416 IonicContact OD2-CZ 3.02Å; D91-R416 IonicContact OD2-NE 3.25Å; D91-R416 PolarHBondContact OD2-NE 2.85Å; V98-R416 HydrophobicContact CG1-CG 3.4Å; E101-R416 IonicContact OE2-CZ 3.95Å; E101-R416 IonicContact OE2-NH1 3.82Å; E101-R416 PolarHBondContact OE2-NH1 3.18Å; E101-R416 IonicContact OE2-NH2 2.9Å; E101-R416 PolarHBondContact OE2-NH2 3.28Å; R106-R416 PolarHBondContact NH2-O 3.13Å; R106-R416 VanDerWaalsContact NH2-O 3.1Å; Q191-R416 PolarHBondContact NE2-O 2.88Å; C414-R416 PolarHBondContact O-N 3.38Å
417	S	95.2	Very high	94.8	Very high	8 Å²	8	29.2 Å²	29.2	6%	0.056	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-37.2	176.8	-174.7	0	0	0	0	111.8	R106 L397 C414	R106-S417 PolarHBondContact NH1-O 3.12Å; R106-S417 PolarHBondContact NH2-O 3.06Å; L397-S417 WeakPolarHBondContact O-CB 3.46Å; L397-S417 PolarHBondContact O-OG 2.98Å; C414-S417 PolarHBondContact O-N 3.16Å
418	M	95.3	Very high	94.9	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.01	13%	0.13	C	C	.	.			trans	-132.9	139	177.8	-62.1	-62.2	176.8	0	0	109.5	Q99 E395 L397 I398 C414 C420 I451 N453	Q99-M418 PolarHBondContact NE2-O 2.96Å; E395-M418 WeakPolarHBondContact O-CE 3.32Å; L397-M418 VanDerWaalsContact O-CE 3.26Å; L397-M418 WeakPolarHBondContact O-CE 3.28Å; L397-M418 VanDerWaalsContact O-CG 3.31Å; L397-M418 WeakPolarHBondContact O-CG 3.42Å; I398-M418 HydrophobicContact CG1-CE 4.34Å; C414-M418 PolarHBondContact O-N 2.93Å; C414-M418 VanDerWaalsContact O-N 3.13Å; M418-C420 VanDerWaalsContact CB-SG 3.53Å; M418-I451 HydrophobicContact CB-CG2 4.48Å; M418-I451 HydrophobicContact CE-CD1 4.43Å; M418-I451 HydrophobicContact SD-CB 4.42Å; M418-I451 HydrophobicContact SD-CD1 4.02Å; M418-N453 HydrophobicContact CE-CB 4.31Å; M418-N453 HydrophobicContact SD-CB 3.41Å; M418-N453 WeakPolarHBondContact SD-CB 2.99Å
419	F	98.1	Very high	94.7	Very high	3 Å²	3	24.8 Å²	24.8	1%	0.013	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	116.9	156.9	171.8	-98.1	0	0	0	105.7	Q99 L103 A127 F130 E421 L437 I451 T452	Q99-F419 HydrophobicContact CB-CD2 3.93Å; Q99-F419 HydrophobicContact CB-CE2 4.15Å; Q99-F419 WeakPolarHBondContact O-CD2 3.27Å; L103-F419 HydrophobicContact CB-CB 4.33Å; L103-F419 HydrophobicContact CB-CD2 3.77Å; L103-F419 HydrophobicContact CB-CE2 4.2Å; L103-F419 HydrophobicContact CB-CG 3.96Å; L103-F419 HydrophobicContact CD1-CD1 4.08Å; L103-F419 HydrophobicContact CD1-CE1 4.41Å; L103-F419 HydrophobicContact CD1-CG 4.24Å; L103-F419 HydrophobicContact CD2-CD1 4.45Å; L103-F419 HydrophobicContact CD2-CD2 4.32Å; L103-F419 HydrophobicContact CD2-CE1 4.11Å; L103-F419 HydrophobicContact CD2-CE2 3.98Å; L103-F419 HydrophobicContact CD2-CZ 3.86Å; L103-F419 HydrophobicContact CG-CD2 4.49Å; L103-F419 HydrophobicContact CG-CG 4.47Å; A127-F419 HydrophobicContact CB-CE2 4.29Å; A127-F419 HydrophobicContact CB-CZ 4.07Å; F130-F419 HydrophobicContact CD1-CE1 4.28Å; F130-F419 HydrophobicContact CE1-CE1 4.3Å; F419-E421 HydrophobicContact CD1-CG 4.46Å; F419-E421 HydrophobicContact CE1-CG 3.68Å; F419-E421 HydrophobicContact CZ-CG 4.22Å; F419-L437 HydrophobicContact CE2-CD2 4.28Å; F419-L437 HydrophobicContact CZ-CD2 3.72Å; F419-I451 CarbonylContact O-C 3.29Å; F419-I451 WeakPolarHBondContact O-CA 3.39Å; F419-T452 PolarHBondContact N-O 3.47Å; F419-T452 PolarHBondContact O-N 2.84Å
420	C	98.1	Very high	94.6	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.007	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	130.7	-172.6	-62.4	0	0	0	0	110.6	M418 F422 M438 L449 V450	M418-C420 VanDerWaalsContact CB-SG 3.53Å; C420-F422 HydrophobicContact CB-CE2 3.98Å; C420-F422 HydrophobicContact CB-CZ 4.15Å; C420-M438 HydrophobicContact CB-CE 3.5Å; C420-M438 HydrophobicContact CB-CG 4.29Å; C420-M438 VanDerWaalsContact SG-CE 3.55Å; C420-L449 HydrophobicContact CB-CD1 3.92Å; C420-V450 WeakPolarHBondContact CA-O 3.09Å
421	E	98.5	Very high	94	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	153.9	165.3	-73.8	177.8	-98.3	0	0	108.3	R131 F419 T435 L436 L437 V450 R459	R131-E421 WeakPolarHBondContact CG-OE2 3.4Å; R131-E421 IonicContact NE-OE2 3.81Å; F419-E421 HydrophobicContact CD1-CG 4.46Å; F419-E421 HydrophobicContact CE1-CG 3.68Å; F419-E421 HydrophobicContact CZ-CG 4.22Å; E421-T435 HydrophobicContact CB-CG2 4.02Å; E421-T435 WeakPolarHBondContact OE2-CB 3.37Å; E421-T435 PolarHBondContact OE2-OG1 3.21Å; E421-L436 CarbonylContact C-O 3.45Å; E421-L436 VanDerWaalsContact CA-O 3.3Å; E421-L436 WeakPolarHBondContact CA-O 3.48Å; E421-L437 HydrophobicContact CG-CD2 4.34Å; E421-V450 HydrophobicContact CB-CB 3.86Å; E421-V450 HydrophobicContact CB-CG1 4.17Å; E421-V450 PolarHBondContact N-O 3.36Å; E421-V450 PolarHBondContact O-N 3.04Å; E421-V450 VanDerWaalsContact O-O 3.12Å; E421-R459 WeakPolarHBondContact OE1-CG 3.36Å; E421-R459 IonicContact OE1-CZ 3.99Å; E421-R459 IonicContact OE1-NE 2.64Å; E421-R459 PolarHBondContact OE1-NE 3.43Å; E421-R459 IonicContact OE2-CZ 2.67Å; E421-R459 IonicContact OE2-NE 2.86Å; E421-R459 PolarHBondContact OE2-NE 2.97Å; E421-R459 VanDerWaalsContact OE2-NE 3.12Å; E421-R459 IonicContact OE2-NH2 3.75Å; E421-R459 PolarHBondContact OE2-NH2 3.04Å
422	F	98.3	Very high	93.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	118.4	-174.1	-62.5	-97.6	0	0	0	109.1	L413 C420 P424 T435 L436 M438 V441 Y447 L449 P476	L413-F422 HydrophobicContact CD1-CE1 4Å; L413-F422 HydrophobicContact CD1-CZ 3.52Å; C420-F422 HydrophobicContact CB-CE2 3.98Å; C420-F422 HydrophobicContact CB-CZ 4.15Å; F422-P424 WeakPolarHBondContact O-CD 3.38Å; F422-T435 CarbonylContact O-C 3.59Å; F422-T435 WeakPolarHBondContact O-CA 3.49Å; F422-L436 HydrophobicContact CB-CB 4.33Å; F422-L436 PolarHBondContact N-O 3.31Å; F422-L436 PolarHBondContact O-N 3.18Å; F422-M438 HydrophobicContact CE2-CB 4.23Å; F422-M438 HydrophobicContact CE2-CG 3.63Å; F422-M438 HydrophobicContact CZ-CG 4.08Å; F422-V441 HydrophobicContact CB-CG1 3.67Å; F422-V441 HydrophobicContact CD1-CG1 3.8Å; F422-V441 HydrophobicContact CD2-CG1 3.44Å; F422-V441 VanDerWaalsContact CD2-CG1 3.44Å; F422-V441 HydrophobicContact CE1-CG1 4.26Å; F422-V441 HydrophobicContact CE2-CG1 3.99Å; F422-V441 HydrophobicContact CG-CG1 3.34Å; F422-V441 HydrophobicContact CZ-CG1 4.34Å; F422-Y447 HydrophobicContact CB-CD1 3.74Å; F422-Y447 HydrophobicContact CB-CE1 4.5Å; F422-Y447 HydrophobicContact CB-CG 3.82Å; F422-Y447 HydrophobicContact CD1-CD2 4.34Å; F422-Y447 HydrophobicContact CD1-CG 4.14Å; F422-Y447 HydrophobicContact CG-CG 4.43Å; F422-L449 HydrophobicContact CD1-CD1 4.21Å; F422-L449 HydrophobicContact CE1-CD1 3.85Å; F422-L449 HydrophobicContact CZ-CD1 4.17Å; F422-P476 HydrophobicContact CZ-CG 4.45Å
423	L	97.5	Very high	92.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	113	175.8	171.4	54.3	0	0	0	108.6	E425 L428 P433 T435 Y447 E448 V450	L423-E425 PolarHBondContact O-N 3.48Å; L423-L428 HydrophobicContact CD2-CD2 3.74Å; L423-L428 HydrophobicContact CG-CD2 3.79Å; L423-P433 HydrophobicContact CD1-CB 3.4Å; L423-P433 HydrophobicContact CD1-CG 4.16Å; L423-P433 HydrophobicContact CD2-CB 4.39Å; L423-P433 HydrophobicContact CD2-CG 4.32Å; L423-T435 HydrophobicContact CB-CG2 4.43Å; L423-Y447 CarbonylContact O-C 3.51Å; L423-Y447 VanDerWaalsContact O-CA 3.25Å; L423-Y447 WeakPolarHBondContact O-CA 3.26Å; L423-E448 HydrophobicContact CB-CB 4.2Å; L423-E448 PolarHBondContact N-O 3.18Å; L423-E448 PolarHBondContact O-N 3.29Å; L423-V450 HydrophobicContact CB-CG2 4.26Å
424	P	96.9	Very high	92.6	Very high	23 Å²	23	47.9 Å²	47.9	15%	0.149	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.4	136.8	179.7	-27.8	35.2	0	0	0	112.4	F422 S426 S427 L436 Y447	F422-P424 WeakPolarHBondContact O-CD 3.38Å; P424-S426 PolarHBondContact O-N 2.78Å; P424-S427 PolarHBondContact O-N 2.93Å; P424-L436 HydrophobicContact CG-CD1 4.19Å; P424-L436 HydrophobicContact CG-CG 4.38Å; P424-Y447 HydrophobicContact CB-CD1 4.32Å; P424-Y447 HydrophobicContact CB-CE1 4.34Å; P424-Y447 HydrophobicContact CG-CD1 4.19Å; P424-Y447 HydrophobicContact CG-CE1 4.1Å
425	E	91.6	Very high	92.6	Very high	74 Å²	74	47.9 Å²	47.9	35%	0.346	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-57.1	-33.5	-179.2	-175.3	175.4	-160	0	0	112.3	L423 S427 L428 S446 Y482	L423-E425 PolarHBondContact O-N 3.48Å; E425-S427 PolarHBondContact O-N 3.16Å; E425-L428 HydrophobicContact CB-CD1 4.38Å; E425-L428 HydrophobicContact CG-CD1 3.93Å; E425-L428 WeakPolarHBondContact O-CD1 3.4Å; E425-L428 VanDerWaalsContact O-CG 3.23Å; E425-L428 WeakPolarHBondContact O-CG 3.24Å; E425-S446 WeakPolarHBondContact CB-O 3.47Å; E425-S446 PolarHBondContact N-O 3.24Å; E425-S446 WeakPolarHBondContact OE2-CB 3.34Å; E425-S446 PolarHBondContact OE2-OG 3.48Å; E425-Y482 PolarHBondContact OE1-OH 2.87Å
426	S	89.4	Confident	92.7	Very high	110 Å²	110	50.1 Å²	50.1	77%	0.769	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-65.2	-22.9	176	56.4	0	0	0	0	114.3	P424	P424-S426 PolarHBondContact O-N 2.78Å
427	S	90.5	Very high	92.8	Very high	20 Å²	20	48.3 Å²	48.3	14%	0.14	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-107.3	9.2	-172	-64.3	0	0	0	0	112.9	P424 E425 D429 E430	P424-S427 PolarHBondContact O-N 2.93Å; E425-S427 PolarHBondContact O-N 3.16Å; S427-D429 PolarHBondContact O-N 2.98Å; S427-D429 VanDerWaalsContact O-N 3.15Å; S427-E430 WeakPolarHBondContact CA-OE1 3.37Å; S427-E430 VanDerWaalsContact CB-CD 3.46Å; S427-E430 WeakPolarHBondContact CB-OE1 3.41Å; S427-E430 WeakPolarHBondContact O-CB 3.2Å; S427-E430 PolarHBondContact O-N 3.07Å; S427-E430 PolarHBondContact OG-OE1 3Å
428	L	86.8	Confident	92.9	Very high	13 Å²	13	48 Å²	48	7%	0.068	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-22.3	-172.9	-70.3	173.5	0	0	0	115.6	L423 E425 E448 I465 R484	L423-L428 HydrophobicContact CD2-CD2 3.74Å; L423-L428 HydrophobicContact CG-CD2 3.79Å; E425-L428 HydrophobicContact CB-CD1 4.38Å; E425-L428 HydrophobicContact CG-CD1 3.93Å; E425-L428 WeakPolarHBondContact O-CD1 3.4Å; E425-L428 VanDerWaalsContact O-CG 3.23Å; E425-L428 WeakPolarHBondContact O-CG 3.24Å; L428-E448 HydrophobicContact CD2-CB 3.56Å; L428-E448 HydrophobicContact CD2-CG 4.47Å; L428-E448 WeakPolarHBondContact CD2-OE2 3.25Å; L428-I465 HydrophobicContact CD1-CD1 4.1Å; L428-I465 HydrophobicContact CD2-CD1 4.48Å; L428-R484 PolarHBondContact O-NH1 3.37Å; L428-R484 VanDerWaalsContact O-NH1 3.11Å
429	D	84.3	Confident	92.9	Very high	102 Å²	102	51.1 Å²	51.1	55%	0.545	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	6.1	-176.3	-61.5	-35.7	0	0	0	112.3	S427 R484 K494	S427-D429 PolarHBondContact O-N 2.98Å; S427-D429 VanDerWaalsContact O-N 3.15Å; D429-R484 IonicContact OD1-CZ 2.76Å; D429-R484 IonicContact OD1-NH1 3.96Å; D429-R484 IonicContact OD1-NH2 3.12Å; D429-R484 PolarHBondContact OD1-NH2 3.09Å; D429-K494 IonicContact OD1-NZ 3.82Å; D429-K494 IonicContact OD2-NZ 2.99Å; D429-K494 PolarHBondContact OD2-NZ 3.47Å
430	E	88.9	Confident	92.8	Very high	99 Å²	99	55.1 Å²	55.1	46%	0.463	29%	0.29	S	S	.	.			trans	-69.7	147.6	170.2	-66	174.6	-160.6	0	0	110.5	S427 P433	S427-E430 WeakPolarHBondContact CA-OE1 3.37Å; S427-E430 VanDerWaalsContact CB-CD 3.46Å; S427-E430 WeakPolarHBondContact CB-OE1 3.41Å; S427-E430 WeakPolarHBondContact O-CB 3.2Å; S427-E430 PolarHBondContact O-N 3.07Å; S427-E430 PolarHBondContact OG-OE1 3Å; E430-P433 HydrophobicContact CB-CB 4.28Å; E430-P433 WeakPolarHBondContact O-CD 3.27Å
431	E	82.7	Confident	92.8	Very high	194 Å²	194	55.5 Å²	55.5	91%	0.907	29%	0.292	S	S	*	.	S	Bend	trans	-68.7	-36.1	178.8	-68.5	-174.7	169.5	0	0	112.6
432	T	83.4	Confident	92.8	Very high	121 Å²	121	62.3 Å²	62.3	74%	0.742	32%	0.322	S	S	*	.	S	Bend	trans	-128.6	66.3	-178.6	50.6	0	0	0	0	110.8	Q434	T432-Q434 PolarHBondContact O-N 3.36Å
433	P	89.1	Confident	92.8	Very high	22 Å²	22	68.4 Å²	68.4	14%	0.143	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-69.4	139	-171.3	26.7	-31	0	0	0	111.3	I136 L423 E430	I136-P433 HydrophobicContact CD1-CG 4.09Å; L423-P433 HydrophobicContact CD1-CB 3.4Å; L423-P433 HydrophobicContact CD1-CG 4.16Å; L423-P433 HydrophobicContact CD2-CB 4.39Å; L423-P433 HydrophobicContact CD2-CG 4.32Å; E430-P433 HydrophobicContact CB-CB 4.28Å; E430-P433 WeakPolarHBondContact O-CD 3.27Å
434	Q	91.8	Very high	92.8	Very high	153 Å²	153	70.4 Å²	70.4	72%	0.715	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-88.9	129.8	173.6	-65.2	-166.1	-3	0	0	110.9	T432	T432-Q434 PolarHBondContact O-N 3.36Å
435	T	97.1	Very high	92.8	Very high	1 Å²	1	74.3 Å²	74.3	1%	0.006	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-84.8	161.7	171.4	49.4	0	0	0	0	111.7	R131 I136 E421 F422 L423 V450 R459	R131-T435 PolarHBondContact NE-OG1 3.14Å; R131-T435 PolarHBondContact NH2-O 3.43Å; R131-T435 PolarHBondContact NH2-OG1 3.02Å; I136-T435 HydrophobicContact CD1-CG2 3.82Å; E421-T435 HydrophobicContact CB-CG2 4.02Å; E421-T435 WeakPolarHBondContact OE2-CB 3.37Å; E421-T435 PolarHBondContact OE2-OG1 3.21Å; F422-T435 CarbonylContact O-C 3.59Å; F422-T435 WeakPolarHBondContact O-CA 3.49Å; L423-T435 HydrophobicContact CB-CG2 4.43Å; T435-V450 HydrophobicContact CG2-CG2 4.27Å; T435-R459 PolarHBondContact OG1-NH2 2.89Å
436	L	98.1	Very high	93	Very high	47 Å²	47	71.9 Å²	71.9	25%	0.246	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	151	169.3	-58.3	-178.5	0	0	0	109.1	E421 F422 P424 E440 V441 Y447	E421-L436 CarbonylContact C-O 3.45Å; E421-L436 VanDerWaalsContact CA-O 3.3Å; E421-L436 WeakPolarHBondContact CA-O 3.48Å; F422-L436 HydrophobicContact CB-CB 4.33Å; F422-L436 PolarHBondContact N-O 3.31Å; F422-L436 PolarHBondContact O-N 3.18Å; P424-L436 HydrophobicContact CG-CD1 4.19Å; P424-L436 HydrophobicContact CG-CG 4.38Å; L436-E440 WeakPolarHBondContact CA-OE2 3.35Å; L436-E440 HydrophobicContact CB-CB 3.96Å; L436-E440 HydrophobicContact CD2-CB 4.36Å; L436-V441 HydrophobicContact CB-CG1 4.48Å; L436-Y447 HydrophobicContact CD1-CE1 3.79Å
437	L	98.1	Very high	93.4	Very high	22 Å²	22	67 Å²	67	12%	0.115	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	168.6	169.9	-60.7	177.3	0	0	0	110.8	A127 F419 E421 E439 E440	A127-L437 HydrophobicContact CB-CD1 4.35Å; A127-L437 HydrophobicContact CB-CD2 4.41Å; F419-L437 HydrophobicContact CE2-CD2 4.28Å; F419-L437 HydrophobicContact CZ-CD2 3.72Å; E421-L437 HydrophobicContact CG-CD2 4.34Å; L437-E439 WeakPolarHBondContact CB-OE2 3.5Å; L437-E439 PolarHBondContact O-N 3.37Å; L437-E440 HydrophobicContact CB-CG 4.26Å; L437-E440 WeakPolarHBondContact CB-OE2 3.42Å; L437-E440 PolarHBondContact N-OE2 3.46Å; L437-E440 PolarHBondContact O-N 3Å
438	M	96.2	Very high	93.7	Very high	1 Å²	1	66.2 Å²	66.2	1%	0.005	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-34.9	-177.6	-82	-167.3	176.4	0	0	113.7	V95 Q99 L413 P415 C420 F422 E440 V441 P476	V95-M438 HydrophobicContact CG2-CB 4.14Å; V95-M438 HydrophobicContact CG2-CG 4.48Å; V95-M438 HydrophobicContact CG2-SD 3.47Å; V95-M438 WeakPolarHBondContact CG2-SD 3.44Å; Q99-M438 VanDerWaalsContact CD-SD 3.52Å; Q99-M438 HydrophobicContact CG-CE 4.43Å; Q99-M438 HydrophobicContact CG-CG 4.2Å; Q99-M438 HydrophobicContact CG-SD 3.64Å; Q99-M438 VanDerWaalsContact OE1-CE 3.3Å; Q99-M438 PolarHBondContact OE1-SD 3.46Å; L413-M438 HydrophobicContact CB-CE 3.83Å; L413-M438 HydrophobicContact CD1-CE 3.88Å; P415-M438 HydrophobicContact CB-CE 4.49Å; P415-M438 HydrophobicContact CB-SD 4.27Å; C420-M438 HydrophobicContact CB-CE 3.5Å; C420-M438 HydrophobicContact CB-CG 4.29Å; C420-M438 VanDerWaalsContact SG-CE 3.55Å; F422-M438 HydrophobicContact CE2-CB 4.23Å; F422-M438 HydrophobicContact CE2-CG 3.63Å; F422-M438 HydrophobicContact CZ-CG 4.08Å; M438-E440 VanDerWaalsContact C-N 3.33Å; M438-V441 WeakPolarHBondContact O-CG2 3.31Å; M438-P476 HydrophobicContact CB-CG 4.26Å; M438-P476 HydrophobicContact CG-CG 4.43Å; M438-P476 WeakPolarHBondContact O-CG 3.37Å
439	E	95.3	Very high	94.2	Very high	67 Å²	67	65.6 Å²	65.6	31%	0.313	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-9.4	179.9	67.9	-88.8	-149.6	0	0	114.1	K96 L437	K96-E439 VanDerWaalsContact CD-OE1 3.23Å; K96-E439 WeakPolarHBondContact CD-OE1 3.45Å; K96-E439 VanDerWaalsContact CG-OE1 3.25Å; K96-E439 WeakPolarHBondContact CG-OE1 3.47Å; L437-E439 WeakPolarHBondContact CB-OE2 3.5Å; L437-E439 PolarHBondContact O-N 3.37Å
440	E	97.3	Very high	94.9	Very high	87 Å²	87	60.8 Å²	60.8	41%	0.407	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-12.2	-175.3	-61.6	-179.3	123.9	0	0	112.8	R131 L436 L437 M438	R131-E440 IonicContact NH1-OE2 3.65Å; L436-E440 WeakPolarHBondContact CA-OE2 3.35Å; L436-E440 HydrophobicContact CB-CB 3.96Å; L436-E440 HydrophobicContact CD2-CB 4.36Å; L437-E440 HydrophobicContact CB-CG 4.26Å; L437-E440 WeakPolarHBondContact CB-OE2 3.42Å; L437-E440 PolarHBondContact N-OE2 3.46Å; L437-E440 PolarHBondContact O-N 3Å; M438-E440 VanDerWaalsContact C-N 3.33Å
441	V	98.1	Very high	95.3	Very high	9 Å²	9	56 Å²	56	6%	0.055	29%	0.286	C	S	.	.			trans	-72.7	159.1	179.8	-55.8	0	0	0	0	112.1	F422 L436 M438 Y447 V468 F471 P476	F422-V441 HydrophobicContact CB-CG1 3.67Å; F422-V441 HydrophobicContact CD1-CG1 3.8Å; F422-V441 HydrophobicContact CD2-CG1 3.44Å; F422-V441 VanDerWaalsContact CD2-CG1 3.44Å; F422-V441 HydrophobicContact CE1-CG1 4.26Å; F422-V441 HydrophobicContact CE2-CG1 3.99Å; F422-V441 HydrophobicContact CG-CG1 3.34Å; F422-V441 HydrophobicContact CZ-CG1 4.34Å; L436-V441 HydrophobicContact CB-CG1 4.48Å; M438-V441 WeakPolarHBondContact O-CG2 3.31Å; V441-Y447 HydrophobicContact CB-CE2 3.93Å; V441-Y447 HydrophobicContact CG1-CE1 4.49Å; V441-Y447 HydrophobicContact CG1-CE2 4.23Å; V441-V468 HydrophobicContact CB-CG2 4.13Å; V441-V468 HydrophobicContact CG2-CG1 4.29Å; V441-V468 HydrophobicContact CG2-CG2 3.88Å; V441-F471 HydrophobicContact CG2-CE1 3.91Å; V441-F471 HydrophobicContact CG2-CZ 3.88Å; V441-P476 HydrophobicContact CG2-CB 4.28Å; V441-P476 HydrophobicContact CG2-CG 3.81Å
442	K	98	Very high	96	Very high	144 Å²	144	46.8 Å²	46.8	63%	0.626	24%	0.243	S	C	*	.			trans	-119.8	141	-178.6	-62.4	178.1	-176.7	175.1	0	110.9	E445 Y447 V468	K442-E445 HydrophobicContact CB-CB 4.46Å; K442-E445 HydrophobicContact CB-CG 3.83Å; K442-E445 PolarHBondContact O-N 3.45Å; K442-Y447 PolarHBondContact N-OH 3.44Å; K442-V468 WeakPolarHBondContact O-CB 3.29Å
443	E	98.1	Very high	96.7	Very high	128 Å²	128	41.1 Å²	41.1	60%	0.598	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	140	170.8	-175.6	174.9	157.7	0	0	110.8	E445 F471	E443-E445 VanDerWaalsContact C-N 3.28Å; E443-E445 PolarHBondContact O-N 3.27Å; E443-F471 HydrophobicContact CB-CE2 4.16Å
444	G	96.8	Very high	96.9	Very high	41 Å²	41	40.5 Å²	40.5	42%	0.423	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.4	-20.4	-177.8	0	0	0	0	0	114.3	K467 V468	G444-K467 VanDerWaalsContact O-CE 3.26Å; G444-K467 WeakPolarHBondContact O-CE 3.34Å; G444-V468 PolarHBondContact N-O 2.87Å
445	E	97.1	Very high	97.1	Very high	106 Å²	106	33.3 Å²	33.3	50%	0.495	17%	0.171	S	C	.	.			trans	-87.3	154.6	-177.1	-62.6	-66.2	160.5	0	0	112.6	K442 E443 Y447 K467 V468	K442-E445 HydrophobicContact CB-CB 4.46Å; K442-E445 HydrophobicContact CB-CG 3.83Å; K442-E445 PolarHBondContact O-N 3.45Å; E443-E445 VanDerWaalsContact C-N 3.28Å; E443-E445 PolarHBondContact O-N 3.27Å; E445-Y447 HydrophobicContact CB-CE2 3.56Å; E445-Y447 WeakPolarHBondContact CB-OH 3.47Å; E445-K467 WeakPolarHBondContact O-CA 3.27Å; E445-V468 PolarHBondContact O-N 2.75Å
446	S	96.6	Very high	97	Very high	22 Å²	22	33.3 Å²	33.3	15%	0.154	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	141.3	-179.6	-70.1	0	0	0	0	111.7	E425 V466	E425-S446 WeakPolarHBondContact CB-O 3.47Å; E425-S446 PolarHBondContact N-O 3.24Å; E425-S446 WeakPolarHBondContact OE2-CB 3.34Å; E425-S446 PolarHBondContact OE2-OG 3.48Å; S446-V466 CarbonylContact C-O 3.42Å; S446-V466 WeakPolarHBondContact CA-O 3.33Å
447	Y	97.6	Very high	97	Very high	8 Å²	8	31.3 Å²	31.3	3%	0.031	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	145.3	-176.1	-55	-88	0	0	0	111.2	F422 L423 P424 L436 V441 K442 E445 I465 V466 V468	F422-Y447 HydrophobicContact CB-CD1 3.74Å; F422-Y447 HydrophobicContact CB-CE1 4.5Å; F422-Y447 HydrophobicContact CB-CG 3.82Å; F422-Y447 HydrophobicContact CD1-CD2 4.34Å; F422-Y447 HydrophobicContact CD1-CG 4.14Å; F422-Y447 HydrophobicContact CG-CG 4.43Å; L423-Y447 CarbonylContact O-C 3.51Å; L423-Y447 VanDerWaalsContact O-CA 3.25Å; L423-Y447 WeakPolarHBondContact O-CA 3.26Å; P424-Y447 HydrophobicContact CB-CD1 4.32Å; P424-Y447 HydrophobicContact CB-CE1 4.34Å; P424-Y447 HydrophobicContact CG-CD1 4.19Å; P424-Y447 HydrophobicContact CG-CE1 4.1Å; L436-Y447 HydrophobicContact CD1-CE1 3.79Å; V441-Y447 HydrophobicContact CB-CE2 3.93Å; V441-Y447 HydrophobicContact CG1-CE1 4.49Å; V441-Y447 HydrophobicContact CG1-CE2 4.23Å; K442-Y447 PolarHBondContact N-OH 3.44Å; E445-Y447 HydrophobicContact CB-CE2 3.56Å; E445-Y447 WeakPolarHBondContact CB-OH 3.47Å; Y447-I465 CarbonylContact O-C 3.55Å; Y447-I465 WeakPolarHBondContact O-CA 3.48Å; Y447-V466 PolarHBondContact N-O 2.79Å; Y447-V466 PolarHBondContact O-N 3.25Å; Y447-V468 HydrophobicContact CD2-CG2 3.92Å; Y447-V468 HydrophobicContact CE2-CG2 3.82Å
448	E	96.8	Very high	97	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.019	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	132.3	159.1	-174.9	-179.7	165.8	0	0	109.9	L423 L428 R461 G463 D464 I465	L423-E448 HydrophobicContact CB-CB 4.2Å; L423-E448 PolarHBondContact N-O 3.18Å; L423-E448 PolarHBondContact O-N 3.29Å; L428-E448 HydrophobicContact CD2-CB 3.56Å; L428-E448 HydrophobicContact CD2-CG 4.47Å; L428-E448 WeakPolarHBondContact CD2-OE2 3.25Å; E448-R461 VanDerWaalsContact OE1-CB 3.31Å; E448-R461 WeakPolarHBondContact OE1-CB 3.25Å; E448-R461 IonicContact OE1-CZ 2.93Å; E448-R461 IonicContact OE1-NE 3.25Å; E448-R461 PolarHBondContact OE1-NE 2.94Å; E448-R461 IonicContact OE1-NH2 3.3Å; E448-R461 IonicContact OE2-CZ 3.76Å; E448-R461 VanDerWaalsContact OE2-CZ 3.31Å; E448-R461 IonicContact OE2-NE 2.97Å; E448-R461 PolarHBondContact OE2-NE 3.39Å; E448-R461 IonicContact OE2-NH2 2.87Å; E448-R461 PolarHBondContact OE2-NH2 2.58Å; E448-G463 WeakPolarHBondContact OE1-CA 3.29Å; E448-G463 PolarHBondContact OE1-N 2.88Å; E448-D464 WeakPolarHBondContact CA-O 3.42Å; E448-I465 HydrophobicContact CB-CD1 3.52Å; E448-I465 HydrophobicContact CG-CD1 4.05Å
449	L	97.3	Very high	97.1	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	127.2	178.2	-167	72.1	0	0	0	111.3	I398 C420 F422 I451 I462 D464	I398-L449 HydrophobicContact CG2-CD2 3.49Å; I398-L449 VanDerWaalsContact CG2-CD2 3.49Å; C420-L449 HydrophobicContact CB-CD1 3.92Å; F422-L449 HydrophobicContact CD1-CD1 4.21Å; F422-L449 HydrophobicContact CE1-CD1 3.85Å; F422-L449 HydrophobicContact CZ-CD1 4.17Å; L449-I451 HydrophobicContact CD2-CG2 3.89Å; L449-I451 HydrophobicContact CG-CG2 3.89Å; L449-I462 HydrophobicContact CB-CG2 3.86Å; L449-I462 WeakPolarHBondContact O-CG2 3.47Å; L449-I462 PolarHBondContact O-N 3.35Å; L449-D464 PolarHBondContact N-O 2.79Å; L449-D464 VanDerWaalsContact N-O 3.08Å
450	V	97.9	Very high	97.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	129.3	173.2	177.2	0	0	0	0	107.8	C420 E421 L423 T435 R459 Y460 R461	C420-V450 WeakPolarHBondContact CA-O 3.09Å; E421-V450 HydrophobicContact CB-CB 3.86Å; E421-V450 HydrophobicContact CB-CG1 4.17Å; E421-V450 PolarHBondContact N-O 3.36Å; E421-V450 PolarHBondContact O-N 3.04Å; E421-V450 VanDerWaalsContact O-O 3.12Å; L423-V450 HydrophobicContact CB-CG2 4.26Å; T435-V450 HydrophobicContact CG2-CG2 4.27Å; V450-R459 HydrophobicContact CG1-CB 4.13Å; V450-Y460 CarbonylContact C-O 3.3Å; V450-Y460 WeakPolarHBondContact CA-O 3.42Å; V450-R461 HydrophobicContact CG2-CG 4.1Å
451	I	97.8	Very high	97.1	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	147.1	-172.2	62.8	165.9	0	0	0	113.3	E395 M418 F419 L449 R459 Y460	E395-I451 HydrophobicContact CB-CD1 3.72Å; E395-I451 HydrophobicContact CG-CD1 4.03Å; M418-I451 HydrophobicContact CB-CG2 4.48Å; M418-I451 HydrophobicContact CE-CD1 4.43Å; M418-I451 HydrophobicContact SD-CB 4.42Å; M418-I451 HydrophobicContact SD-CD1 4.02Å; F419-I451 CarbonylContact O-C 3.29Å; F419-I451 WeakPolarHBondContact O-CA 3.39Å; L449-I451 HydrophobicContact CD2-CG2 3.89Å; L449-I451 HydrophobicContact CG-CG2 3.89Å; I451-R459 PolarHBondContact O-N 2.95Å; I451-Y460 HydrophobicContact CD1-CD1 4.4Å; I451-Y460 HydrophobicContact CG1-CD1 4.12Å; I451-Y460 PolarHBondContact N-O 2.83Å; I451-Y460 PolarHBondContact O-N 3.07Å
452	T	98.4	Very high	96.7	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	127.1	159.8	-63.4	0	0	0	0	109.1	L103 R106 F130 F419 L457 F458 R459	L103-T452 HydrophobicContact CD1-CG2 3.93Å; R106-T452 PolarHBondContact NH1-O 2.99Å; F130-T452 WeakPolarHBondContact CE1-OG1 3.31Å; F130-T452 HydrophobicContact CZ-CG2 4.3Å; F419-T452 PolarHBondContact N-O 3.47Å; F419-T452 PolarHBondContact O-N 2.84Å; T452-L457 CarbonylContact C-O 3.5Å; T452-L457 WeakPolarHBondContact CA-O 3.36Å; T452-F458 HydrophobicContact CG2-CD1 3.5Å; T452-F458 VanDerWaalsContact CG2-CD1 3.5Å; T452-F458 HydrophobicContact CG2-CE1 4.07Å; T452-F458 HydrophobicContact CG2-CG 4.35Å; T452-R459 PolarHBondContact OG1-N 3.31Å
453	N	96.5	Very high	96.4	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.005	11%	0.113	C	C	.	.			trans	-138.9	179.9	-168.4	79.3	-1	0	0	0	115.1	E395 M418 S455 G456 L457	E395-N453 PolarHBondContact O-ND2 2.89Å; M418-N453 HydrophobicContact CE-CB 4.31Å; M418-N453 HydrophobicContact SD-CB 3.41Å; M418-N453 WeakPolarHBondContact SD-CB 2.99Å; N453-S455 PolarHBondContact O-N 3Å; N453-S455 WeakPolarHBondContact OD1-CA 3.41Å; N453-S455 VanDerWaalsContact OD1-CB 3.3Å; N453-S455 WeakPolarHBondContact OD1-CB 3.48Å; N453-S455 PolarHBondContact OD1-N 3.29Å; N453-G456 PolarHBondContact O-N 2.83Å; N453-G456 PolarHBondContact OD1-N 2.77Å; N453-L457 PolarHBondContact N-O 3.23Å; N453-L457 WeakPolarHBondContact OD1-CB 3.45Å; N453-L457 PolarHBondContact OD1-N 2.98Å; N453-L457 VanDerWaalsContact OD1-N 3.16Å
454	A	95	Very high	96.2	Very high	9 Å²	9	15 Å²	15	7%	0.074	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-3.4	179.6	0	0	0	0	0	114.4	T181 D183 T184 G456	T181-A454 WeakPolarHBondContact CG2-O 3.26Å; T181-A454 PolarHBondContact OG1-O 3.43Å; D183-A454 HydrophobicContact CB-CB 3.7Å; T184-A454 HydrophobicContact CG2-CB 3.86Å; A454-G456 VanDerWaalsContact C-N 3.31Å
455	S	94.3	Very high	96.1	Very high	3 Å²	3	13 Å²	13	2%	0.021	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-0.2	172.7	-68	0	0	0	0	113.3	L179 T184 N453	L179-S455 WeakPolarHBondContact O-CB 3.33Å; L179-S455 PolarHBondContact O-OG 3.47Å; T184-S455 WeakPolarHBondContact CG2-OG 3.31Å; N453-S455 PolarHBondContact O-N 3Å; N453-S455 WeakPolarHBondContact OD1-CA 3.41Å; N453-S455 VanDerWaalsContact OD1-CB 3.3Å; N453-S455 WeakPolarHBondContact OD1-CB 3.48Å; N453-S455 PolarHBondContact OD1-N 3.29Å
456	G	95.9	Very high	96	Very high	1 Å²	1	8 Å²	8	1%	0.01	4%	0.043	C	C	.	.	S	Bend	trans	78.9	20.7	-175.5	0	0	0	0	0	113.6	Y142 I157 N453 A454 F458	Y142-G456 WeakPolarHBondContact CE1-O 3.2Å; I157-G456 WeakPolarHBondContact CG2-O 3.42Å; N453-G456 PolarHBondContact O-N 2.83Å; N453-G456 PolarHBondContact OD1-N 2.77Å; A454-G456 VanDerWaalsContact C-N 3.31Å; G456-F458 WeakPolarHBondContact O-CD2 3.38Å; G456-F458 VanDerWaalsContact O-CE2 3.3Å; G456-F458 WeakPolarHBondContact O-CE2 3.28Å
457	L	97.7	Very high	96	Very high	4 Å²	4	10.5 Å²	10.5	2%	0.021	5%	0.051	C	C	.	.			trans	-85	127	164.3	-58.1	177	0	0	0	107.7	Y142 L178 E395 T452 N453 Y460	Y142-L457 HydrophobicContact CD1-CD2 4.37Å; Y142-L457 HydrophobicContact CD2-CD2 4.09Å; Y142-L457 HydrophobicContact CE1-CD2 4.43Å; Y142-L457 HydrophobicContact CE2-CD2 4.17Å; Y142-L457 HydrophobicContact CG-CD2 4.2Å; L178-L457 HydrophobicContact CD1-CD1 4.43Å; L178-L457 HydrophobicContact CD2-CD1 4.41Å; L178-L457 HydrophobicContact CD2-CD2 4.24Å; E395-L457 HydrophobicContact CB-CD1 4.16Å; E395-L457 HydrophobicContact CG-CD1 3.66Å; T452-L457 CarbonylContact C-O 3.5Å; T452-L457 WeakPolarHBondContact CA-O 3.36Å; N453-L457 PolarHBondContact N-O 3.23Å; N453-L457 WeakPolarHBondContact OD1-CB 3.45Å; N453-L457 PolarHBondContact OD1-N 2.98Å; N453-L457 VanDerWaalsContact OD1-N 3.16Å; L457-Y460 HydrophobicContact CB-CG 4.19Å; L457-Y460 HydrophobicContact CD1-CD1 3.93Å; L457-Y460 HydrophobicContact CD1-CE1 4.19Å; L457-Y460 HydrophobicContact CD1-CG 4.16Å; L457-Y460 HydrophobicContact CD2-CD2 4.14Å; L457-Y460 HydrophobicContact CD2-CE2 4.5Å; L457-Y460 HydrophobicContact CD2-CG 4.28Å; L457-Y460 HydrophobicContact CG-CG 4.45Å
458	F	98.3	Very high	96.1	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.049	C	C	.	.			trans	-124.7	122.8	-178.1	-60.8	-81.3	0	0	0	109.2	L107 N110 Y115 F121 F130 H134 T137 Y142 I157 T452 G456 Y460	L107-F458 HydrophobicContact CD2-CD1 3.99Å; L107-F458 HydrophobicContact CD2-CE1 3.91Å; N110-F458 HydrophobicContact CB-CZ 4.35Å; Y115-F458 AromaticContact CD1-CD2 3.89Å; Y115-F458 HydrophobicContact CD1-CD2 3.89Å; Y115-F458 HydrophobicContact CD1-CE2 4.04Å; Y115-F458 HydrophobicContact CE1-CB 4.42Å; Y115-F458 AromaticContact CE1-CD2 3.57Å; Y115-F458 HydrophobicContact CE1-CD2 3.57Å; Y115-F458 HydrophobicContact CE1-CE2 4.2Å; Y115-F458 HydrophobicContact CE1-CG 4.25Å; F121-F458 HydrophobicContact CE2-CD1 4.07Å; F121-F458 HydrophobicContact CE2-CD2 4.35Å; F121-F458 AromaticContact CE2-CE1 3.62Å; F121-F458 HydrophobicContact CE2-CE1 3.62Å; F121-F458 AromaticContact CE2-CE2 3.91Å; F121-F458 HydrophobicContact CE2-CE2 3.91Å; F121-F458 HydrophobicContact CE2-CG 4.43Å; F121-F458 AromaticContact CE2-CZ 3.54Å; F121-F458 HydrophobicContact CE2-CZ 3.54Å; F121-F458 AromaticContact CZ-CD1 3.79Å; F121-F458 HydrophobicContact CZ-CD1 3.79Å; F121-F458 HydrophobicContact CZ-CD2 4.06Å; F121-F458 AromaticContact CZ-CE1 3.85Å; F121-F458 HydrophobicContact CZ-CE1 3.85Å; F121-F458 HydrophobicContact CZ-CE2 4.09Å; F121-F458 AromaticContact CZ-CG 3.92Å; F121-F458 HydrophobicContact CZ-CG 3.92Å; F121-F458 HydrophobicContact CZ-CZ 4.01Å; F130-F458 HydrophobicContact CZ-CB 4.19Å; F130-F458 HydrophobicContact CZ-CD1 4.39Å; H134-F458 PolarHBondContact CE1-O 3.08Å; T137-F458 PolarHBondContact OG1-O 3.1Å; Y142-F458 PolarHBondContact OH-N 3.22Å; Y142-F458 PolarHBondContact OH-O 2.87Å; I157-F458 HydrophobicContact CG2-CE2 4.09Å; T452-F458 HydrophobicContact CG2-CD1 3.5Å; T452-F458 VanDerWaalsContact CG2-CD1 3.5Å; T452-F458 HydrophobicContact CG2-CE1 4.07Å; T452-F458 HydrophobicContact CG2-CG 4.35Å; G456-F458 WeakPolarHBondContact O-CD2 3.38Å; G456-F458 VanDerWaalsContact O-CE2 3.3Å; G456-F458 WeakPolarHBondContact O-CE2 3.28Å; F458-Y460 PolarHBondContact O-N 3.46Å; F458-Y460 VanDerWaalsContact O-N 3.11Å
459	R	97.8	Very high	96.1	Very high	17 Å²	17	11 Å²	11	6%	0.064	5%	0.054	C	C	.	.	S	Bend	trans	44.5	42.2	-172.8	-50.8	-166.5	73.3	-155.5	-4.1	113.1	F130 R131 H134 T137 E421 T435 V450 I451 T452	F130-R459 HydrophobicContact CD1-CG 4.25Å; F130-R459 HydrophobicContact CE1-CG 3.32Å; F130-R459 HydrophobicContact CE2-CG 4.47Å; F130-R459 HydrophobicContact CZ-CG 3.46Å; F130-R459 VanDerWaalsContact CZ-CG 3.46Å; R131-R459 PolarHBondContact O-NH1 3.48Å; H134-R459 WeakPolarHBondContact ND1-CG 3.32Å; H134-R459 VanDerWaalsContact O-CD 3.22Å; H134-R459 WeakPolarHBondContact O-CD 3.41Å; H134-R459 PolarHBondContact O-NH1 3.27Å; T137-R459 PolarHBondContact N-O 3.23Å; T137-R459 PolarHBondContact OG1-O 2.7Å; E421-R459 WeakPolarHBondContact OE1-CG 3.36Å; E421-R459 IonicContact OE1-CZ 3.99Å; E421-R459 IonicContact OE1-NE 2.64Å; E421-R459 PolarHBondContact OE1-NE 3.43Å; E421-R459 IonicContact OE2-CZ 2.67Å; E421-R459 IonicContact OE2-NE 2.86Å; E421-R459 PolarHBondContact OE2-NE 2.97Å; E421-R459 VanDerWaalsContact OE2-NE 3.12Å; E421-R459 IonicContact OE2-NH2 3.75Å; E421-R459 PolarHBondContact OE2-NH2 3.04Å; T435-R459 PolarHBondContact OG1-NH2 2.89Å; V450-R459 HydrophobicContact CG1-CB 4.13Å; I451-R459 PolarHBondContact O-N 2.95Å; T452-R459 PolarHBondContact OG1-N 3.31Å
460	Y	97.4	Very high	96.1	Very high	18 Å²	18	11.3 Å²	11.3	7%	0.071	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	127.1	-175	172.2	-95.8	0	0	0	111.3	T137 Y142 E395 V450 I451 L457 F458 I462	T137-Y460 WeakPolarHBondContact OG1-CA 3.26Å; Y142-Y460 HydrophobicContact CD2-CD2 4.17Å; Y142-Y460 AromaticContact CE2-CD2 3.87Å; Y142-Y460 HydrophobicContact CE2-CD2 3.87Å; E395-Y460 HydrophobicContact CG-CD1 4.35Å; E395-Y460 HydrophobicContact CG-CE1 3.86Å; E395-Y460 WeakPolarHBondContact OE1-CE1 3.35Å; E395-Y460 PolarHBondContact OE1-OH 2.85Å; V450-Y460 CarbonylContact C-O 3.3Å; V450-Y460 WeakPolarHBondContact CA-O 3.42Å; I451-Y460 HydrophobicContact CD1-CD1 4.4Å; I451-Y460 HydrophobicContact CG1-CD1 4.12Å; I451-Y460 PolarHBondContact N-O 2.83Å; I451-Y460 PolarHBondContact O-N 3.07Å; L457-Y460 HydrophobicContact CB-CG 4.19Å; L457-Y460 HydrophobicContact CD1-CD1 3.93Å; L457-Y460 HydrophobicContact CD1-CE1 4.19Å; L457-Y460 HydrophobicContact CD1-CG 4.16Å; L457-Y460 HydrophobicContact CD2-CD2 4.14Å; L457-Y460 HydrophobicContact CD2-CE2 4.5Å; L457-Y460 HydrophobicContact CD2-CG 4.28Å; L457-Y460 HydrophobicContact CG-CG 4.45Å; F458-Y460 PolarHBondContact O-N 3.46Å; F458-Y460 VanDerWaalsContact O-N 3.11Å; Y460-I462 PolarHBondContact O-N 3.44Å
461	R	95.1	Very high	96.1	Very high	51 Å²	51	14.9 Å²	14.9	19%	0.192	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	111.6	173.2	-73.2	-178.3	79.5	158.7	15.7	110.8	I136 T137 E448 V450 G463	I136-R461 HydrophobicContact CG2-CG 3.49Å; I136-R461 VanDerWaalsContact CG2-CG 3.49Å; T137-R461 PolarHBondContact O-N 2.86Å; E448-R461 VanDerWaalsContact OE1-CB 3.31Å; E448-R461 WeakPolarHBondContact OE1-CB 3.25Å; E448-R461 IonicContact OE1-CZ 2.93Å; E448-R461 IonicContact OE1-NE 3.25Å; E448-R461 PolarHBondContact OE1-NE 2.94Å; E448-R461 IonicContact OE1-NH2 3.3Å; E448-R461 IonicContact OE2-CZ 3.76Å; E448-R461 VanDerWaalsContact OE2-CZ 3.31Å; E448-R461 IonicContact OE2-NE 2.97Å; E448-R461 PolarHBondContact OE2-NE 3.39Å; E448-R461 IonicContact OE2-NH2 2.87Å; E448-R461 PolarHBondContact OE2-NH2 2.58Å; V450-R461 HydrophobicContact CG2-CG 4.1Å; R461-G463 VanDerWaalsContact C-N 3.27Å; R461-G463 PolarHBondContact O-N 3.21Å
462	I	91.4	Very high	96.1	Very high	9 Å²	9	16.8 Å²	16.8	5%	0.046	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	-20	177.3	-155.2	176.8	0	0	0	112.3	A393 E395 I398 L449 Y460 D464	A393-I462 HydrophobicContact CB-CD1 4Å; E395-I462 HydrophobicContact CG-CD1 4.43Å; E395-I462 HydrophobicContact CG-CG1 4.32Å; I398-I462 HydrophobicContact CD1-CD1 3.45Å; I398-I462 VanDerWaalsContact CD1-CD1 3.45Å; I398-I462 HydrophobicContact CG1-CD1 4.48Å; L449-I462 HydrophobicContact CB-CG2 3.86Å; L449-I462 WeakPolarHBondContact O-CG2 3.47Å; L449-I462 PolarHBondContact O-N 3.35Å; Y460-I462 PolarHBondContact O-N 3.44Å; I462-D464 VanDerWaalsContact C-N 3.25Å; I462-D464 HydrophobicContact CG2-CB 3.68Å; I462-D464 PolarHBondContact O-N 2.7Å
463	G	91.1	Very high	96.1	Very high	14 Å²	14	20.1 Å²	20.1	14%	0.144	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	77.7	3.3	-177.6	0	0	0	0	0	114.8	E448 R461 R483 R484	E448-G463 WeakPolarHBondContact OE1-CA 3.29Å; E448-G463 PolarHBondContact OE1-N 2.88Å; R461-G463 VanDerWaalsContact C-N 3.27Å; R461-G463 PolarHBondContact O-N 3.21Å; G463-R483 CarbonylContact O-C 3.47Å; G463-R483 WeakPolarHBondContact O-CA 3.4Å; G463-R484 PolarHBondContact O-N 2.86Å
464	D	93.1	Very high	96.1	Very high	7 Å²	7	24.7 Å²	24.7	4%	0.037	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	129.8	174.5	-65.1	-1	0	0	0	109.5	Y391 E448 L449 I462 F480 R483	Y391-D464 WeakPolarHBondContact CE2-OD2 3.17Å; Y391-D464 WeakPolarHBondContact OH-CB 3.45Å; Y391-D464 PolarHBondContact OH-OD2 2.72Å; E448-D464 WeakPolarHBondContact CA-O 3.42Å; L449-D464 PolarHBondContact N-O 2.79Å; L449-D464 VanDerWaalsContact N-O 3.08Å; I462-D464 VanDerWaalsContact C-N 3.25Å; I462-D464 HydrophobicContact CG2-CB 3.68Å; I462-D464 PolarHBondContact O-N 2.7Å; D464-F480 HydrophobicContact CB-CD2 4.26Å; D464-F480 HydrophobicContact CB-CE2 3.97Å; D464-R483 IonicContact OD1-CZ 3.02Å; D464-R483 VanDerWaalsContact OD1-CZ 3.26Å; D464-R483 IonicContact OD1-NE 3.56Å; D464-R483 PolarHBondContact OD1-NE 3.43Å; D464-R483 IonicContact OD1-NH2 3.64Å; D464-R483 PolarHBondContact OD1-NH2 2.83Å; D464-R483 IonicContact OD2-NH2 3.79Å
465	I	94.1	Very high	96.3	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	126.1	170.7	-54.2	-51.7	0	0	0	108.3	L428 Y447 E448 Q481 Y482	L428-I465 HydrophobicContact CD1-CD1 4.1Å; L428-I465 HydrophobicContact CD2-CD1 4.48Å; Y447-I465 CarbonylContact O-C 3.55Å; Y447-I465 WeakPolarHBondContact O-CA 3.48Å; E448-I465 HydrophobicContact CB-CD1 3.52Å; E448-I465 HydrophobicContact CG-CD1 4.05Å; I465-Q481 HydrophobicContact CG2-CB 4.4Å; I465-Q481 WeakPolarHBondContact O-CB 3.33Å; I465-Q481 PolarHBondContact O-N 3.04Å; I465-Y482 HydrophobicContact CB-CD1 4.27Å; I465-Y482 HydrophobicContact CB-CD2 4.28Å; I465-Y482 HydrophobicContact CB-CE1 4.01Å; I465-Y482 HydrophobicContact CB-CE2 4.02Å; I465-Y482 HydrophobicContact CB-CG 4.39Å; I465-Y482 HydrophobicContact CG1-CD2 3.93Å; I465-Y482 HydrophobicContact CG1-CE1 4.18Å; I465-Y482 HydrophobicContact CG1-CE2 3.37Å; I465-Y482 HydrophobicContact CG2-CE1 3.92Å; I465-Y482 PolarHBondContact N-O 3.21Å; I465-Y482 PolarHBondContact O-N 2.73Å
466	V	96.1	Very high	96.5	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.006	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	141.5	179.4	-60.8	0	0	0	0	110.1	Y391 S446 Y447 V478 E479	Y391-V466 HydrophobicContact CE1-CG1 4.03Å; S446-V466 CarbonylContact C-O 3.42Å; S446-V466 WeakPolarHBondContact CA-O 3.33Å; Y447-V466 PolarHBondContact N-O 2.79Å; Y447-V466 PolarHBondContact O-N 3.25Å; V466-V478 HydrophobicContact CB-CB 4.11Å; V466-V478 HydrophobicContact CB-CG1 4.47Å; V466-V478 HydrophobicContact CG2-CB 4.4Å; V466-V478 HydrophobicContact CG2-CG1 4.23Å; V466-E479 CarbonylContact C-O 3.5Å; V466-E479 VanDerWaalsContact CA-O 3.3Å; V466-E479 WeakPolarHBondContact CA-O 3.31Å
467	K	96.8	Very high	96.6	Very high	74 Å²	74	24.6 Å²	24.6	32%	0.322	12%	0.119	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	131.4	171.6	-175.5	-179.6	-179	-178.3	0	108.9	G444 E445 T469 V478 E479 Q481	G444-K467 VanDerWaalsContact O-CE 3.26Å; G444-K467 WeakPolarHBondContact O-CE 3.34Å; E445-K467 WeakPolarHBondContact O-CA 3.27Å; K467-T469 HydrophobicContact CD-CG2 4.36Å; K467-T469 HydrophobicContact CG-CG2 4.26Å; K467-T469 PolarHBondContact O-N 2.63Å; K467-V478 CarbonylContact O-C 3.37Å; K467-V478 VanDerWaalsContact O-CA 3.28Å; K467-V478 WeakPolarHBondContact O-CA 3.05Å; K467-E479 PolarHBondContact N-O 3.33Å; K467-E479 PolarHBondContact O-N 3.46Å; K467-Q481 HydrophobicContact CB-CG 3.82Å
468	V	98.4	Very high	96.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	117.5	171	178.8	0	0	0	0	107.9	V441 K442 G444 E445 Y447 F471 P476 I477 V478	V441-V468 HydrophobicContact CB-CG2 4.13Å; V441-V468 HydrophobicContact CG2-CG1 4.29Å; V441-V468 HydrophobicContact CG2-CG2 3.88Å; K442-V468 WeakPolarHBondContact O-CB 3.29Å; G444-V468 PolarHBondContact N-O 2.87Å; E445-V468 PolarHBondContact O-N 2.75Å; Y447-V468 HydrophobicContact CD2-CG2 3.92Å; Y447-V468 HydrophobicContact CE2-CG2 3.82Å; V468-F471 HydrophobicContact CG1-CE2 4.1Å; V468-F471 HydrophobicContact CG1-CZ 3.99Å; V468-P476 HydrophobicContact CG1-CB 4.4Å; V468-I477 WeakPolarHBondContact CA-O 3.41Å; V468-V478 HydrophobicContact CG2-CG1 4.37Å
469	T	97.4	Very high	96.4	Very high	21 Å²	21	26.4 Å²	26.4	13%	0.129	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	7.2	-175.9	59.5	0	0	0	0	113.5	K467 I477 E479	K467-T469 HydrophobicContact CD-CG2 4.36Å; K467-T469 HydrophobicContact CG-CG2 4.26Å; K467-T469 PolarHBondContact O-N 2.63Å; T469-I477 PolarHBondContact N-O 3.22Å; T469-I477 PolarHBondContact OG1-O 2.88Å; T469-E479 HydrophobicContact CG2-CB 3.97Å; T469-E479 HydrophobicContact CG2-CG 3.57Å
470	G	97.8	Very high	96.2	Very high	7 Å²	7	28.1 Å²	28.1	7%	0.072	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	147.5	-168.6	179.3	0	0	0	0	0	110.9	I477	G470-I477 PolarHBondContact O-N 3.01Å
471	F	98.2	Very high	95.7	Very high	75 Å²	75	30.5 Å²	30.5	33%	0.329	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	138.8	-177.6	-63.2	-97.3	0	0	0	110.1	V441 E443 V468 C475 P476	V441-F471 HydrophobicContact CG2-CE1 3.91Å; V441-F471 HydrophobicContact CG2-CZ 3.88Å; E443-F471 HydrophobicContact CB-CE2 4.16Å; V468-F471 HydrophobicContact CG1-CE2 4.1Å; V468-F471 HydrophobicContact CG1-CZ 3.99Å; F471-C475 WeakPolarHBondContact CA-O 3.37Å; F471-P476 HydrophobicContact CD1-CB 4.45Å; F471-P476 HydrophobicContact CD1-CG 4.28Å; F471-P476 HydrophobicContact CE1-CB 4.29Å; F471-P476 HydrophobicContact CE1-CG 3.96Å
472	H	97.6	Very high	95.3	Very high	40 Å²	40	29.3 Å²	29.3	19%	0.185	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	109.1	163.9	-174.2	80.9	0	0	0	107.2	E89 L412 Q474 C475 I477	E89-H472 IonicContact OE1-CD2 2.89Å; E89-H472 IonicContact OE1-CE1 2.87Å; E89-H472 IonicContact OE1-NE2 3.53Å; E89-H472 PolarHBondContact OE1-NE2 3.47Å; E89-H472 IonicContact OE2-CD2 3.62Å; E89-H472 IonicContact OE2-CE1 3.7Å; E89-H472 IonicContact OE2-NE2 2.74Å; E89-H472 PolarHBondContact OE2-NE2 2.89Å; L412-H472 HydrophobicContact CD1-CB 3.64Å; L412-H472 HydrophobicContact CD2-CB 4.18Å; H472-Q474 PolarHBondContact O-N 2.66Å; H472-C475 PolarHBondContact N-O 2.82Å; H472-C475 PolarHBondContact O-N 3.07Å; H472-I477 HydrophobicContact CB-CD1 4.13Å; H472-I477 HydrophobicContact CB-CG1 4.2Å
473	N	97.6	Very high	95	Very high	71 Å²	71	31.1 Å²	31.1	38%	0.38	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	-115.5	-162.7	-57.8	-47.1	0	0	0	110.1	E89 T92 L93	E89-N473 PolarHBondContact OE1-ND2 2.94Å; T92-N473 WeakPolarHBondContact O-CB 3.43Å; T92-N473 PolarHBondContact OG1-ND2 2.77Å; L93-N473 HydrophobicContact CD2-CB 3.91Å; L93-N473 HydrophobicContact CG-CB 4.33Å
474	Q	97.6	Very high	94.6	Very high	96 Å²	96	34.3 Å²	34.3	45%	0.449	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-2.8	176.4	-60.4	176.3	28	0	0	112.7	T92 L93 V95 H472	T92-Q474 WeakPolarHBondContact O-CB 3.32Å; T92-Q474 PolarHBondContact O-N 3.38Å; L93-Q474 VanDerWaalsContact O-CD 3.26Å; L93-Q474 PolarHBondContact O-NE2 2.84Å; V95-Q474 HydrophobicContact CB-CB 4.46Å; V95-Q474 HydrophobicContact CG1-CB 3.89Å; V95-Q474 WeakPolarHBondContact CG1-O 3.33Å; H472-Q474 PolarHBondContact O-N 2.66Å
475	C	98.3	Very high	94	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	130	-173.8	-172	0	0	0	0	111.3	T92 V95 L412 F471 H472 I477	T92-C475 HydrophobicContact CG2-CB 3.65Å; V95-C475 HydrophobicContact CG2-CB 4.28Å; L412-C475 HydrophobicContact CD1-CB 3.87Å; F471-C475 WeakPolarHBondContact CA-O 3.37Å; H472-C475 PolarHBondContact N-O 2.82Å; H472-C475 PolarHBondContact O-N 3.07Å; C475-I477 PolarHBondContact O-N 2.77Å
476	P	98.3	Very high	93.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	135.5	-178.7	-23.6	32.5	0	0	0	113.5	L413 F422 M438 V441 V468 F471 V478	L413-P476 HydrophobicContact CD1-CB 4.17Å; L413-P476 PolarHBondContact N-O 2.97Å; F422-P476 HydrophobicContact CZ-CG 4.45Å; M438-P476 HydrophobicContact CB-CG 4.26Å; M438-P476 HydrophobicContact CG-CG 4.43Å; M438-P476 WeakPolarHBondContact O-CG 3.37Å; V441-P476 HydrophobicContact CG2-CB 4.28Å; V441-P476 HydrophobicContact CG2-CG 3.81Å; V468-P476 HydrophobicContact CG1-CB 4.4Å; F471-P476 HydrophobicContact CD1-CB 4.45Å; F471-P476 HydrophobicContact CD1-CG 4.28Å; F471-P476 HydrophobicContact CE1-CB 4.29Å; F471-P476 HydrophobicContact CE1-CG 3.96Å; P476-V478 HydrophobicContact CB-CG1 4.38Å
477	I	98.4	Very high	92.9	Very high	11 Å²	11	36.5 Å²	36.5	6%	0.056	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	127.5	165.1	-54.9	171.8	0	0	0	107	W403 R410 L412 V468 T469 G470 H472 C475	W403-I477 HydrophobicContact CH2-CD1 3.43Å; W403-I477 VanDerWaalsContact CH2-CD1 3.43Å; W403-I477 HydrophobicContact CH2-CG1 3.67Å; W403-I477 HydrophobicContact CH2-CG2 4.05Å; W403-I477 HydrophobicContact CZ2-CD1 3.72Å; W403-I477 HydrophobicContact CZ2-CG1 4.44Å; W403-I477 HydrophobicContact CZ3-CD1 4.26Å; W403-I477 HydrophobicContact CZ3-CG1 4.3Å; W403-I477 HydrophobicContact CZ3-CG2 3.82Å; R410-I477 HydrophobicContact CB-CG2 3.82Å; L412-I477 HydrophobicContact CD1-CG1 4.16Å; V468-I477 WeakPolarHBondContact CA-O 3.41Å; T469-I477 PolarHBondContact N-O 3.22Å; T469-I477 PolarHBondContact OG1-O 2.88Å; G470-I477 PolarHBondContact O-N 3.01Å; H472-I477 HydrophobicContact CB-CD1 4.13Å; H472-I477 HydrophobicContact CB-CG1 4.2Å; C475-I477 PolarHBondContact O-N 2.77Å
478	V	97.8	Very high	92.5	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.006	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	146.9	-175.2	-59.3	0	0	0	0	113	Y391 Y411 L413 V466 K467 V468 P476	Y391-V478 HydrophobicContact CD1-CG2 4.35Å; Y411-V478 PolarHBondContact N-O 3.33Å; Y411-V478 WeakPolarHBondContact O-CG2 3.4Å; Y411-V478 PolarHBondContact O-N 2.94Å; L413-V478 HydrophobicContact CD1-CG1 4.06Å; L413-V478 HydrophobicContact CD2-CG1 4.39Å; L413-V478 HydrophobicContact CD2-CG2 3.67Å; L413-V478 HydrophobicContact CG-CG1 4.14Å; L413-V478 HydrophobicContact CG-CG2 4.13Å; V466-V478 HydrophobicContact CB-CB 4.11Å; V466-V478 HydrophobicContact CB-CG1 4.47Å; V466-V478 HydrophobicContact CG2-CB 4.4Å; V466-V478 HydrophobicContact CG2-CG1 4.23Å; K467-V478 CarbonylContact O-C 3.37Å; K467-V478 VanDerWaalsContact O-CA 3.28Å; K467-V478 WeakPolarHBondContact O-CA 3.05Å; V468-V478 HydrophobicContact CG2-CG1 4.37Å; P476-V478 HydrophobicContact CB-CG1 4.38Å
479	E	95.1	Very high	92.1	Very high	41 Å²	41	36 Å²	36	19%	0.192	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	128.7	166.3	-76.3	177.6	-174.4	0	0	109.8	R410 V466 K467 T469 Q481	R410-E479 HydrophobicContact CB-CG 4.45Å; R410-E479 WeakPolarHBondContact CD-OE1 3.29Å; R410-E479 HydrophobicContact CG-CG 3.74Å; R410-E479 WeakPolarHBondContact CG-OE1 3.46Å; V466-E479 CarbonylContact C-O 3.5Å; V466-E479 VanDerWaalsContact CA-O 3.3Å; V466-E479 WeakPolarHBondContact CA-O 3.31Å; K467-E479 PolarHBondContact N-O 3.33Å; K467-E479 PolarHBondContact O-N 3.46Å; T469-E479 HydrophobicContact CG2-CB 3.97Å; T469-E479 HydrophobicContact CG2-CG 3.57Å; E479-Q481 PolarHBondContact O-N 3.27Å
480	F	91.9	Very high	91.6	Very high	54 Å²	54	36.5 Å²	36.5	24%	0.237	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	123.7	170.8	174.5	-90.7	0	0	0	109.7	Y391 D464 R483	Y391-F480 HydrophobicContact CE2-CD2 4.24Å; D464-F480 HydrophobicContact CB-CD2 4.26Å; D464-F480 HydrophobicContact CB-CE2 3.97Å; F480-R483 HydrophobicContact CZ-CB 4.49Å
481	Q	87.9	Confident	91	Very high	67 Å²	67	42.8 Å²	42.8	31%	0.313	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-64.9	178.6	-61	-61.7	-52.1	0	0	110.4	I465 K467 E479	I465-Q481 HydrophobicContact CG2-CB 4.4Å; I465-Q481 WeakPolarHBondContact O-CB 3.33Å; I465-Q481 PolarHBondContact O-N 3.04Å; K467-Q481 HydrophobicContact CB-CG 3.82Å; E479-Q481 PolarHBondContact O-N 3.27Å
482	Y	86.7	Confident	90.1	Very high	27 Å²	27	41 Å²	41	11%	0.106	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	169	-178	61.6	-92.1	0	0	0	110.9	E425 I465 M487	E425-Y482 PolarHBondContact OE1-OH 2.87Å; I465-Y482 HydrophobicContact CB-CD1 4.27Å; I465-Y482 HydrophobicContact CB-CD2 4.28Å; I465-Y482 HydrophobicContact CB-CE1 4.01Å; I465-Y482 HydrophobicContact CB-CE2 4.02Å; I465-Y482 HydrophobicContact CB-CG 4.39Å; I465-Y482 HydrophobicContact CG1-CD2 3.93Å; I465-Y482 HydrophobicContact CG1-CE1 4.18Å; I465-Y482 HydrophobicContact CG1-CE2 3.37Å; I465-Y482 HydrophobicContact CG2-CE1 3.92Å; I465-Y482 PolarHBondContact N-O 3.21Å; I465-Y482 PolarHBondContact O-N 2.73Å; Y482-M487 HydrophobicContact CD2-CG 3.86Å; Y482-M487 HydrophobicContact CD2-SD 3.95Å; Y482-M487 HydrophobicContact CE2-CE 4.11Å; Y482-M487 HydrophobicContact CE2-CG 3.85Å; Y482-M487 HydrophobicContact CE2-SD 3.31Å; Y482-M487 WeakPolarHBondContact CE2-SD 3.25Å
483	R	85.9	Confident	89.6	Confident	47 Å²	47	39.7 Å²	39.7	18%	0.177	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	129	169.8	179.8	167.8	-83.5	-160.7	-16.8	109.3	S172 G463 D464 F480 G485 Q486	S172-R483 WeakPolarHBondContact OG-CD 3.33Å; S172-R483 WeakPolarHBondContact OG-CG 3.19Å; G463-R483 CarbonylContact O-C 3.47Å; G463-R483 WeakPolarHBondContact O-CA 3.4Å; D464-R483 IonicContact OD1-CZ 3.02Å; D464-R483 VanDerWaalsContact OD1-CZ 3.26Å; D464-R483 IonicContact OD1-NE 3.56Å; D464-R483 PolarHBondContact OD1-NE 3.43Å; D464-R483 IonicContact OD1-NH2 3.64Å; D464-R483 PolarHBondContact OD1-NH2 2.83Å; D464-R483 IonicContact OD2-NH2 3.79Å; F480-R483 HydrophobicContact CZ-CB 4.49Å; R483-G485 VanDerWaalsContact C-N 3.26Å; R483-G485 PolarHBondContact O-N 2.99Å; R483-G485 VanDerWaalsContact O-N 3.16Å; R483-Q486 HydrophobicContact CB-CB 4.49Å; R483-Q486 HydrophobicContact CB-CG 4.16Å; R483-Q486 WeakPolarHBondContact O-CA 3.43Å; R483-Q486 WeakPolarHBondContact O-CB 3.38Å; R483-Q486 PolarHBondContact O-N 2.91Å
484	R	81.9	Confident	89.1	Confident	80 Å²	80	40.2 Å²	40.2	30%	0.302	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-51	-43.9	-175.4	-177.2	-175.4	166.7	154.1	9.1	112.5	L428 D429 G463 Q486 M487	L428-R484 PolarHBondContact O-NH1 3.37Å; L428-R484 VanDerWaalsContact O-NH1 3.11Å; D429-R484 IonicContact OD1-CZ 2.76Å; D429-R484 IonicContact OD1-NH1 3.96Å; D429-R484 IonicContact OD1-NH2 3.12Å; D429-R484 PolarHBondContact OD1-NH2 3.09Å; G463-R484 PolarHBondContact O-N 2.86Å; R484-Q486 PolarHBondContact O-N 3.4Å; R484-Q486 VanDerWaalsContact O-N 3.15Å; R484-M487 HydrophobicContact CB-CE 4.48Å; R484-M487 HydrophobicContact CG-CE 3.85Å; R484-M487 PolarHBondContact O-N 3.01Å
485	G	79.9	Confident	88.7	Confident	27 Å²	27	35.7 Å²	35.7	28%	0.278	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-70.8	-3.2	179	0	0	0	0	0	115.5	R483 R616	R483-G485 VanDerWaalsContact C-N 3.26Å; R483-G485 PolarHBondContact O-N 2.99Å; R483-G485 VanDerWaalsContact O-N 3.16Å; G485-R616 PolarHBondContact O-NH2 3.36Å; G485-R616 VanDerWaalsContact O-NH2 3.15Å
486	Q	82.1	Confident	88.3	Confident	13 Å²	13	36.9 Å²	36.9	6%	0.061	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-104.9	6.7	176	-64.2	-62.4	-92.7	0	0	113.7	T171 R483 R484 V614	T171-Q486 VanDerWaalsContact C-NE2 3.3Å; T171-Q486 PolarHBondContact O-NE2 2.9Å; R483-Q486 HydrophobicContact CB-CB 4.49Å; R483-Q486 HydrophobicContact CB-CG 4.16Å; R483-Q486 WeakPolarHBondContact O-CA 3.43Å; R483-Q486 WeakPolarHBondContact O-CB 3.38Å; R483-Q486 PolarHBondContact O-N 2.91Å; R484-Q486 PolarHBondContact O-N 3.4Å; R484-Q486 VanDerWaalsContact O-N 3.15Å; Q486-V614 WeakPolarHBondContact O-CG2 3.42Å
487	M	86.2	Confident	87.8	Confident	14 Å²	14	37.9 Å²	37.9	7%	0.069	19%	0.188	C	C	.	.			trans	-76.1	142.2	173.6	-64	-172.6	-67	0	0	111.3	Y482 R484 K494 V495 R616	Y482-M487 HydrophobicContact CD2-CG 3.86Å; Y482-M487 HydrophobicContact CD2-SD 3.95Å; Y482-M487 HydrophobicContact CE2-CE 4.11Å; Y482-M487 HydrophobicContact CE2-CG 3.85Å; Y482-M487 HydrophobicContact CE2-SD 3.31Å; Y482-M487 WeakPolarHBondContact CE2-SD 3.25Å; R484-M487 HydrophobicContact CB-CE 4.48Å; R484-M487 HydrophobicContact CG-CE 3.85Å; R484-M487 PolarHBondContact O-N 3.01Å; M487-K494 HydrophobicContact CE-CB 4.17Å; M487-K494 HydrophobicContact CE-CD 4.12Å; M487-K494 HydrophobicContact CE-CG 4.11Å; M487-K494 HydrophobicContact SD-CB 3.84Å; M487-K494 HydrophobicContact SD-CG 4.45Å; M487-V495 CarbonylContact C-O 3.56Å; M487-V495 WeakPolarHBondContact CA-O 3.25Å; M487-R616 PolarHBondContact O-NH2 2.87Å
488	L	88	Confident	87.2	Confident	4 Å²	4	40 Å²	40	2%	0.021	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-77.5	130.4	165.5	-74.5	169.1	0	0	0	109.5	K494 V495 F500 C521 E523 Y538 V614	L488-K494 CarbonylContact O-C 3.48Å; L488-K494 WeakPolarHBondContact O-CA 3.47Å; L488-V495 HydrophobicContact CB-CB 4.21Å; L488-V495 PolarHBondContact N-O 3.24Å; L488-V495 PolarHBondContact O-N 3.47Å; L488-F500 HydrophobicContact CD1-CD2 3.73Å; L488-F500 HydrophobicContact CD1-CE2 4.02Å; L488-F500 HydrophobicContact CD1-CG 4.27Å; L488-C521 HydrophobicContact CD1-CB 3.7Å; L488-C521 HydrophobicContact CD2-CB 3.69Å; L488-C521 HydrophobicContact CG-CB 4.17Å; L488-E523 HydrophobicContact CD2-CG 4.25Å; L488-Y538 HydrophobicContact CB-CD1 4.41Å; L488-Y538 HydrophobicContact CB-CE1 3.85Å; L488-Y538 HydrophobicContact CB-CE2 4.23Å; L488-Y538 HydrophobicContact CD1-CD2 4.02Å; L488-Y538 HydrophobicContact CD1-CE2 4.07Å; L488-Y538 HydrophobicContact CD1-CG 4.27Å; L488-Y538 HydrophobicContact CD2-CD1 4.49Å; L488-V614 HydrophobicContact CD2-CB 4.45Å; L488-V614 HydrophobicContact CD2-CG1 3.87Å; L488-V614 HydrophobicContact CD2-CG2 3.8Å; L488-V614 HydrophobicContact CG-CG2 3.79Å
489	N	88.9	Confident	86.9	Confident	60 Å²	60	42.5 Å²	42.5	32%	0.321	22%	0.219	S	C	.	.			trans	-154.6	105.6	-175.8	-171.5	21.7	0	0	0	112.3	G492 E493 E523	N489-G492 VanDerWaalsContact OD1-C 3.32Å; N489-G492 WeakPolarHBondContact OD1-CA 3.08Å; N489-G492 PolarHBondContact OD1-N 3.31Å; N489-E493 VanDerWaalsContact CA-OE1 3.24Å; N489-E493 WeakPolarHBondContact CA-OE1 3.39Å; N489-E493 PolarHBondContact OD1-N 3.38Å; N489-E493 PolarHBondContact OD1-OE2 3.17Å; N489-E523 PolarHBondContact N-OE1 2.97Å
490	V	87.4	Confident	86.9	Confident	31 Å²	31	40.7 Å²	40.7	19%	0.188	21%	0.211	C	C	.	.	S	Bend	trans	-104.4	-23.5	174.3	-67.1	0	0	0	0	113.6	E493 E523 P536 Y538 I578	V490-E493 WeakPolarHBondContact CG2-OE1 3.35Å; V490-E493 PolarHBondContact N-OE1 2.63Å; V490-E493 PolarHBondContact N-OE2 3.29Å; V490-E523 HydrophobicContact CG1-CB 3.94Å; V490-E523 HydrophobicContact CG1-CG 3.9Å; V490-P536 HydrophobicContact CB-CB 3.85Å; V490-P536 HydrophobicContact CG1-CB 4.42Å; V490-P536 HydrophobicContact CG2-CB 4.25Å; V490-Y538 HydrophobicContact CG1-CD1 4.04Å; V490-Y538 HydrophobicContact CG1-CE1 3.99Å; V490-Y538 HydrophobicContact CG2-CE1 3.98Å; V490-I578 HydrophobicContact CG2-CB 4.42Å; V490-I578 HydrophobicContact CG2-CD1 3.49Å; V490-I578 VanDerWaalsContact CG2-CD1 3.49Å; V490-I578 HydrophobicContact CG2-CG1 3.55Å; V490-I578 HydrophobicContact CG2-CG2 4.1Å
491	R	85.1	Confident	86.9	Confident	139 Å²	139	38.3 Å²	38.3	53%	0.525	20%	0.201	S	C	.	.	S	Bend	trans	-141.5	2.3	-175.3	-71.5	-63.8	-165.4	175.3	-2.8	114.8	E493 F572 S577 I578	R491-E493 WeakPolarHBondContact CA-OE2 3.29Å; R491-E493 PolarHBondContact N-OE2 3.44Å; R491-F572 HydrophobicContact CB-CD2 3.86Å; R491-F572 HydrophobicContact CB-CE2 3.93Å; R491-S577 VanDerWaalsContact CG-O 3.31Å; R491-S577 WeakPolarHBondContact CG-O 3.42Å; R491-S577 PolarHBondContact NE-O 3.42Å; R491-I578 HydrophobicContact CB-CD1 4.23Å; R491-I578 HydrophobicContact CB-CG1 4.08Å; R491-I578 HydrophobicContact CG-CD1 4.43Å; R491-I578 HydrophobicContact CG-CG1 3.77Å
492	G	79.9	Confident	87.2	Confident	39 Å²	39	36.4 Å²	36.4	40%	0.402	20%	0.199	S	C	.	.	S	Bend	trans	114.4	1.7	-179.1	0	0	0	0	0	114.2	N489 K494	N489-G492 VanDerWaalsContact OD1-C 3.32Å; N489-G492 WeakPolarHBondContact OD1-CA 3.08Å; N489-G492 PolarHBondContact OD1-N 3.31Å; G492-K494 PolarHBondContact O-N 2.77Å
493	E	87.6	Confident	87.7	Confident	11 Å²	11	35.1 Å²	35.1	5%	0.051	19%	0.194	C	C	.	.			trans	-73.5	-22.2	-173.4	72.6	-71	172.8	0	0	114.9	N489 V490 R491 V495 Y538 V568 Y569 F572 I578	N489-E493 VanDerWaalsContact CA-OE1 3.24Å; N489-E493 WeakPolarHBondContact CA-OE1 3.39Å; N489-E493 PolarHBondContact OD1-N 3.38Å; N489-E493 PolarHBondContact OD1-OE2 3.17Å; V490-E493 WeakPolarHBondContact CG2-OE1 3.35Å; V490-E493 PolarHBondContact N-OE1 2.63Å; V490-E493 PolarHBondContact N-OE2 3.29Å; R491-E493 WeakPolarHBondContact CA-OE2 3.29Å; R491-E493 PolarHBondContact N-OE2 3.44Å; E493-V495 HydrophobicContact CG-CG2 4.08Å; E493-Y538 VanDerWaalsContact CD-OH 3.25Å; E493-Y538 WeakPolarHBondContact CG-OH 3.23Å; E493-Y538 VanDerWaalsContact OE1-CE1 3.27Å; E493-Y538 WeakPolarHBondContact OE1-CE1 3.29Å; E493-Y538 VanDerWaalsContact OE1-CZ 3.28Å; E493-Y538 PolarHBondContact OE1-OH 3.12Å; E493-V568 HydrophobicContact CB-CG1 3.89Å; E493-Y569 HydrophobicContact CG-CD2 4.36Å; E493-F572 HydrophobicContact CB-CD2 3.82Å; E493-F572 HydrophobicContact CB-CE2 3.96Å; E493-I578 HydrophobicContact CB-CD1 4.37Å; E493-I578 HydrophobicContact CG-CD1 3.89Å; E493-I578 WeakPolarHBondContact OE2-CD1 3.28Å
494	K	86.3	Confident	88.2	Confident	83 Å²	83	32.9 Å²	32.9	36%	0.361	19%	0.186	S	C	.	.			trans	48.2	66.9	172.9	-63.6	175.7	-177.1	176.3	0	113.7	D429 M487 L488 G492 S496	D429-K494 IonicContact OD1-NZ 3.82Å; D429-K494 IonicContact OD2-NZ 2.99Å; D429-K494 PolarHBondContact OD2-NZ 3.47Å; M487-K494 HydrophobicContact CE-CB 4.17Å; M487-K494 HydrophobicContact CE-CD 4.12Å; M487-K494 HydrophobicContact CE-CG 4.11Å; M487-K494 HydrophobicContact SD-CB 3.84Å; M487-K494 HydrophobicContact SD-CG 4.45Å; L488-K494 CarbonylContact O-C 3.48Å; L488-K494 WeakPolarHBondContact O-CA 3.47Å; G492-K494 PolarHBondContact O-N 2.77Å; K494-S496 PolarHBondContact O-N 3.39Å
495	V	89.9	Confident	88.8	Confident	1 Å²	1	31.6 Å²	31.6	1%	0.006	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-78.8	120.3	175.9	171.3	0	0	0	0	110.2	M487 L488 E493 L499 F500 Y538 L562 Y569	M487-V495 CarbonylContact C-O 3.56Å; M487-V495 WeakPolarHBondContact CA-O 3.25Å; L488-V495 HydrophobicContact CB-CB 4.21Å; L488-V495 PolarHBondContact N-O 3.24Å; L488-V495 PolarHBondContact O-N 3.47Å; E493-V495 HydrophobicContact CG-CG2 4.08Å; V495-L499 HydrophobicContact CG1-CD2 4.23Å; V495-F500 HydrophobicContact CG1-CB 3.94Å; V495-F500 HydrophobicContact CG1-CD2 4.34Å; V495-Y538 HydrophobicContact CB-CE2 4.48Å; V495-Y538 HydrophobicContact CG2-CE2 4.25Å; V495-Y538 VanDerWaalsContact CG2-OH 3.28Å; V495-Y538 WeakPolarHBondContact CG2-OH 3.29Å; V495-L562 HydrophobicContact CG1-CD1 4.07Å; V495-Y569 HydrophobicContact CG2-CD2 4.39Å
496	S	88.8	Confident	89.6	Confident	24 Å²	24	34.2 Å²	34.2	17%	0.168	19%	0.19	C	C	.	.			trans	-75.4	160.6	177.5	75.2	0	0	0	0	112.4	K494 A498 L499 F500	K494-S496 PolarHBondContact O-N 3.39Å; S496-A498 VanDerWaalsContact C-N 3.35Å; S496-A498 PolarHBondContact O-N 3.28Å; S496-L499 PolarHBondContact O-N 3.09Å; S496-L499 WeakPolarHBondContact OG-CB 3.27Å; S496-L499 PolarHBondContact OG-N 3.09Å; S496-F500 PolarHBondContact O-N 2.78Å
497	E	88.1	Confident	90.2	Very high	22 Å²	22	33.6 Å²	33.6	10%	0.103	19%	0.187	C	C	.	.	H	α-helix	trans	-58	-46.1	176.7	-176.7	-175.1	164.7	0	0	112.2	G367 S368 L499 F500 L501 R613	G367-E497 VanDerWaalsContact C-OE1 3.22Å; S368-E497 WeakPolarHBondContact CA-OE1 3.44Å; S368-E497 PolarHBondContact N-OE1 3.3Å; E497-L499 PolarHBondContact O-N 3.03Å; E497-F500 PolarHBondContact O-N 3.18Å; E497-L501 VanDerWaalsContact O-CB 3.28Å; E497-L501 WeakPolarHBondContact O-CB 3.44Å; E497-L501 PolarHBondContact O-N 3.3Å; E497-R613 HydrophobicContact CG-CB 4.23Å; E497-R613 HydrophobicContact CG-CG 3.89Å; E497-R613 WeakPolarHBondContact OE1-CG 3.41Å; E497-R613 IonicContact OE1-NE 3.96Å
498	A	86.6	Confident	90.7	Very high	54 Å²	54	33.5 Å²	33.5	45%	0.446	19%	0.187	S	C	.	.	H	α-helix	trans	-63.2	-43.2	-178.4	0	0	0	0	0	111.8	S496 L501 G502	S496-A498 VanDerWaalsContact C-N 3.35Å; S496-A498 PolarHBondContact O-N 3.28Å; A498-L501 PolarHBondContact O-N 3.12Å; A498-G502 PolarHBondContact O-N 3.37Å
499	L	90.9	Very high	91	Very high	54 Å²	54	37.5 Å²	37.5	28%	0.283	22%	0.221	S	C	.	.	H	α-helix	trans	-62.3	-47.6	177.3	-173.9	66.5	0	0	0	111.2	V495 S496 E497 G502 A503 L562 D565	V495-L499 HydrophobicContact CG1-CD2 4.23Å; S496-L499 PolarHBondContact O-N 3.09Å; S496-L499 WeakPolarHBondContact OG-CB 3.27Å; S496-L499 PolarHBondContact OG-N 3.09Å; E497-L499 PolarHBondContact O-N 3.03Å; L499-G502 PolarHBondContact O-N 3.05Å; L499-A503 PolarHBondContact O-N 2.95Å; L499-A503 VanDerWaalsContact O-N 3.11Å; L499-L562 HydrophobicContact CG-CD1 4.28Å; L499-D565 HydrophobicContact CD1-CB 3.83Å
500	F	94.4	Very high	91.3	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.018	23%	0.228	C	C	.	.	H	α-helix	trans	-64.4	-45.4	178.8	-171.5	-85.1	0	0	0	112.1	L488 V495 S496 E497 G502 A503 L504 Y519 C521 Y538 V540 L558 L562	L488-F500 HydrophobicContact CD1-CD2 3.73Å; L488-F500 HydrophobicContact CD1-CE2 4.02Å; L488-F500 HydrophobicContact CD1-CG 4.27Å; V495-F500 HydrophobicContact CG1-CB 3.94Å; V495-F500 HydrophobicContact CG1-CD2 4.34Å; S496-F500 PolarHBondContact O-N 2.78Å; E497-F500 PolarHBondContact O-N 3.18Å; F500-G502 VanDerWaalsContact C-N 3.32Å; F500-G502 PolarHBondContact O-N 2.84Å; F500-A503 PolarHBondContact O-N 3.47Å; F500-L504 HydrophobicContact CE1-CB 4.37Å; F500-L504 HydrophobicContact CE1-CD2 4.34Å; F500-L504 WeakPolarHBondContact O-CB 3.4Å; F500-L504 PolarHBondContact O-N 2.98Å; F500-Y519 HydrophobicContact CD1-CD2 4.13Å; F500-Y519 AromaticContact CD1-CE2 3.6Å; F500-Y519 HydrophobicContact CD1-CE2 3.6Å; F500-Y519 AromaticContact CE1-CD2 3.88Å; F500-Y519 HydrophobicContact CE1-CD2 3.88Å; F500-Y519 AromaticContact CE1-CE2 3.84Å; F500-Y519 HydrophobicContact CE1-CE2 3.84Å; F500-C521 WeakPolarHBondContact CE1-SG 3.12Å; F500-C521 WeakPolarHBondContact CZ-SG 3.45Å; F500-Y538 HydrophobicContact CE2-CD2 4.33Å; F500-V540 HydrophobicContact CE1-CG1 4.23Å; F500-V540 HydrophobicContact CE2-CG2 4.21Å; F500-V540 HydrophobicContact CZ-CB 4.43Å; F500-V540 HydrophobicContact CZ-CG1 3.78Å; F500-V540 HydrophobicContact CZ-CG2 3.73Å; F500-L558 HydrophobicContact CZ-CD2 4.04Å; F500-L562 HydrophobicContact CD2-CD2 4.08Å; F500-L562 HydrophobicContact CE2-CD2 4.33Å
501	L	93.3	Very high	91.6	Very high	3 Å²	3	38 Å²	38	2%	0.016	22%	0.22	C	C	.	.	H	α-helix	trans	-63.2	-39.2	179.1	179.1	57.2	0	0	0	111.7	Q370 I371 E497 A498 L504 K505 L516 Y519	Q370-L501 HydrophobicContact CB-CD2 4.42Å; I371-L501 HydrophobicContact CG2-CD1 3.63Å; I371-L501 HydrophobicContact CG2-CD2 3.7Å; I371-L501 HydrophobicContact CG2-CG 4.32Å; E497-L501 VanDerWaalsContact O-CB 3.28Å; E497-L501 WeakPolarHBondContact O-CB 3.44Å; E497-L501 PolarHBondContact O-N 3.3Å; A498-L501 PolarHBondContact O-N 3.12Å; L501-L504 PolarHBondContact O-N 3.26Å; L501-K505 HydrophobicContact CD1-CD 4.4Å; L501-K505 HydrophobicContact CD1-CG 4.17Å; L501-K505 HydrophobicContact CG-CD 4.32Å; L501-K505 WeakPolarHBondContact O-CG 3.41Å; L501-K505 PolarHBondContact O-N 2.89Å; L501-L516 HydrophobicContact CD1-CD2 4.2Å; L501-Y519 HydrophobicContact CD1-CD1 4.34Å; L501-Y519 HydrophobicContact CD1-CE1 3.68Å
502	G	93.9	Very high	91.9	Very high	28 Å²	28	36.6 Å²	36.6	29%	0.289	23%	0.228	S	C	.	.	H	α-helix	trans	-58.1	-51.5	173.4	0	0	0	0	0	111.8	A498 L499 F500 L504 K505 N506	A498-G502 PolarHBondContact O-N 3.37Å; L499-G502 PolarHBondContact O-N 3.05Å; F500-G502 VanDerWaalsContact C-N 3.32Å; F500-G502 PolarHBondContact O-N 2.84Å; G502-L504 VanDerWaalsContact C-N 3.3Å; G502-L504 PolarHBondContact O-N 3.23Å; G502-K505 PolarHBondContact O-N 3.47Å; G502-N506 WeakPolarHBondContact O-CB 3.41Å; G502-N506 VanDerWaalsContact O-CG 3.25Å; G502-N506 PolarHBondContact O-N 3.28Å; G502-N506 PolarHBondContact O-ND2 3.44Å
503	A	96.4	Very high	92.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-59.5	-40.1	175.7	0	0	0	0	0	112.4	L499 F500 N506 A507 L558 C561 L562	L499-A503 PolarHBondContact O-N 2.95Å; L499-A503 VanDerWaalsContact O-N 3.11Å; F500-A503 PolarHBondContact O-N 3.47Å; A503-N506 PolarHBondContact O-N 3.05Å; A503-A507 PolarHBondContact O-N 3.04Å; A503-L558 HydrophobicContact CB-CD1 4.42Å; A503-C561 HydrophobicContact CB-CB 4.04Å; A503-C561 WeakPolarHBondContact O-CB 3.46Å; A503-L562 HydrophobicContact CB-CB 4.01Å; A503-L562 HydrophobicContact CB-CD1 4.08Å
504	L	96.4	Very high	92.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.7	-47	176.9	-179.7	60.4	0	0	0	112.7	F500 L501 G502 N506 A507 V508 L516 Y519 I542 L558	F500-L504 HydrophobicContact CE1-CB 4.37Å; F500-L504 HydrophobicContact CE1-CD2 4.34Å; F500-L504 WeakPolarHBondContact O-CB 3.4Å; F500-L504 PolarHBondContact O-N 2.98Å; L501-L504 PolarHBondContact O-N 3.26Å; G502-L504 VanDerWaalsContact C-N 3.3Å; G502-L504 PolarHBondContact O-N 3.23Å; L504-N506 VanDerWaalsContact C-N 3.33Å; L504-N506 PolarHBondContact O-N 3.49Å; L504-A507 PolarHBondContact O-N 2.9Å; L504-V508 HydrophobicContact CD1-CG2 3.98Å; L504-V508 HydrophobicContact CG-CG2 4.3Å; L504-V508 VanDerWaalsContact O-CG2 3.25Å; L504-V508 WeakPolarHBondContact O-CG2 3.31Å; L504-V508 PolarHBondContact O-N 2.96Å; L504-L516 HydrophobicContact CD2-CD1 4.06Å; L504-L516 HydrophobicContact CD2-CD2 3.79Å; L504-L516 HydrophobicContact CG-CD2 4.14Å; L504-Y519 HydrophobicContact CD2-CD1 3.97Å; L504-Y519 HydrophobicContact CD2-CD2 3.9Å; L504-Y519 HydrophobicContact CD2-CG 3.6Å; L504-I542 HydrophobicContact CD1-CG2 4.05Å; L504-I542 HydrophobicContact CD2-CG2 4.24Å; L504-L558 VanDerWaalsContact CA-CD1 3.41Å; L504-L558 HydrophobicContact CB-CD1 3.96Å; L504-L558 HydrophobicContact CD1-CD1 3.98Å; L504-L558 HydrophobicContact CD1-CD2 3.87Å
505	K	95.1	Very high	93	Very high	53 Å²	53	39.6 Å²	39.6	23%	0.23	25%	0.251	C	S	.	.	H	α-helix	trans	-61.1	-43.1	176.2	-73.4	176.5	-178	174.6	0	111.6	E374 L501 G502 A507 V508 A509	E374-K505 IonicContact OE1-NZ 3.09Å; E374-K505 PolarHBondContact OE1-NZ 3.26Å; E374-K505 WeakPolarHBondContact OE2-CE 3.33Å; E374-K505 IonicContact OE2-NZ 2.91Å; E374-K505 PolarHBondContact OE2-NZ 3.35Å; L501-K505 HydrophobicContact CD1-CD 4.4Å; L501-K505 HydrophobicContact CD1-CG 4.17Å; L501-K505 HydrophobicContact CG-CD 4.32Å; L501-K505 WeakPolarHBondContact O-CG 3.41Å; L501-K505 PolarHBondContact O-N 2.89Å; G502-K505 PolarHBondContact O-N 3.47Å; K505-A507 VanDerWaalsContact C-N 3.28Å; K505-A507 PolarHBondContact O-N 3.07Å; K505-V508 PolarHBondContact O-N 3.29Å; K505-A509 WeakPolarHBondContact O-CB 3.35Å; K505-A509 PolarHBondContact O-N 3.47Å
506	N	95.8	Very high	93.2	Very high	82 Å²	82	40.9 Å²	40.9	44%	0.439	26%	0.258	S	S	.	.	H	α-helix	trans	-60.9	-37.6	176.8	-71.3	-22.8	0	0	0	112.2	G502 A503 L504 Q510 C561	G502-N506 WeakPolarHBondContact O-CB 3.41Å; G502-N506 VanDerWaalsContact O-CG 3.25Å; G502-N506 PolarHBondContact O-N 3.28Å; G502-N506 PolarHBondContact O-ND2 3.44Å; A503-N506 PolarHBondContact O-N 3.05Å; L504-N506 VanDerWaalsContact C-N 3.33Å; L504-N506 PolarHBondContact O-N 3.49Å; N506-Q510 PolarHBondContact O-NE2 2.97Å; N506-C561 HydrophobicContact CB-CB 4.43Å
507	A	96.3	Very high	93.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-70.8	-48	174.9	0	0	0	0	0	112	A503 L504 K505 A509 Q510 W511 K557 L558	A503-A507 PolarHBondContact O-N 3.04Å; L504-A507 PolarHBondContact O-N 2.9Å; K505-A507 VanDerWaalsContact C-N 3.28Å; K505-A507 PolarHBondContact O-N 3.07Å; A507-A509 VanDerWaalsContact C-N 3.3Å; A507-A509 PolarHBondContact O-N 3.2Å; A507-Q510 WeakPolarHBondContact O-CB 3.42Å; A507-Q510 PolarHBondContact O-N 3.34Å; A507-W511 HydrophobicContact CB-CZ2 4.04Å; A507-W511 PolarHBondContact O-NE1 3.25Å; A507-K557 HydrophobicContact CB-CB 4.45Å; A507-L558 HydrophobicContact CB-CB 4.17Å; A507-L558 HydrophobicContact CB-CD1 4.05Å
508	V	95.4	Very high	93.7	Very high	11 Å²	11	40.2 Å²	40.2	7%	0.067	25%	0.254	C	S	.	.	H	α-helix	trans	-61.1	-37.8	180	173.4	0	0	0	0	111.6	L504 K505 Q510 W511 A514 L516 L544	L504-V508 HydrophobicContact CD1-CG2 3.98Å; L504-V508 HydrophobicContact CG-CG2 4.3Å; L504-V508 VanDerWaalsContact O-CG2 3.25Å; L504-V508 WeakPolarHBondContact O-CG2 3.31Å; L504-V508 PolarHBondContact O-N 2.96Å; K505-V508 PolarHBondContact O-N 3.29Å; V508-Q510 PolarHBondContact O-N 3.31Å; V508-Q510 VanDerWaalsContact O-N 3.09Å; V508-W511 HydrophobicContact CB-CE3 4.17Å; V508-W511 HydrophobicContact CB-CZ3 4.4Å; V508-W511 HydrophobicContact CG1-CE3 4.47Å; V508-W511 HydrophobicContact CG2-CE3 3.73Å; V508-W511 HydrophobicContact CG2-CH2 4.19Å; V508-W511 HydrophobicContact CG2-CZ3 3.48Å; V508-W511 VanDerWaalsContact CG2-CZ3 3.48Å; V508-W511 WeakPolarHBondContact O-CB 3.4Å; V508-W511 PolarHBondContact O-N 2.87Å; V508-A514 HydrophobicContact CG1-CB 4.22Å; V508-L516 HydrophobicContact CG1-CB 4.33Å; V508-L516 HydrophobicContact CG2-CB 4.42Å; V508-L544 HydrophobicContact CG2-CD2 4.27Å
509	A	94.5	Very high	94.2	Very high	89 Å²	89	37.7 Å²	37.7	74%	0.736	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-20.4	175.6	0	0	0	0	0	113.4	K505 A507	K505-A509 WeakPolarHBondContact O-CB 3.35Å; K505-A509 PolarHBondContact O-N 3.47Å; A507-A509 VanDerWaalsContact C-N 3.3Å; A507-A509 PolarHBondContact O-N 3.2Å
510	Q	94.6	Very high	94.4	Very high	98 Å²	98	35.1 Å²	35.1	46%	0.458	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	4.2	176.6	-61	172	61.4	0	0	113	N506 A507 V508 P512 K557	N506-Q510 PolarHBondContact O-NE2 2.97Å; A507-Q510 WeakPolarHBondContact O-CB 3.42Å; A507-Q510 PolarHBondContact O-N 3.34Å; V508-Q510 PolarHBondContact O-N 3.31Å; V508-Q510 VanDerWaalsContact O-N 3.09Å; Q510-P512 WeakPolarHBondContact O-CD 3.42Å; Q510-K557 HydrophobicContact CB-CD 4.24Å
511	W	94.4	Very high	94.5	Very high	4 Å²	4	35 Å²	35	2%	0.015	22%	0.219	C	C	.	.	S	Bend	trans	-103.7	105	177	-59.7	-13.7	0	0	0	109	A507 V508 G513 A514 I542 L544 L550 Q554	A507-W511 HydrophobicContact CB-CZ2 4.04Å; A507-W511 PolarHBondContact O-NE1 3.25Å; V508-W511 HydrophobicContact CB-CE3 4.17Å; V508-W511 HydrophobicContact CB-CZ3 4.4Å; V508-W511 HydrophobicContact CG1-CE3 4.47Å; V508-W511 HydrophobicContact CG2-CE3 3.73Å; V508-W511 HydrophobicContact CG2-CH2 4.19Å; V508-W511 HydrophobicContact CG2-CZ3 3.48Å; V508-W511 VanDerWaalsContact CG2-CZ3 3.48Å; V508-W511 WeakPolarHBondContact O-CB 3.4Å; V508-W511 PolarHBondContact O-N 2.87Å; W511-G513 PolarHBondContact O-N 3.35Å; W511-A514 HydrophobicContact CB-CB 3.63Å; W511-A514 HydrophobicContact CE3-CB 4.35Å; W511-A514 WeakPolarHBondContact O-CB 3.46Å; W511-A514 PolarHBondContact O-N 2.78Å; W511-I542 HydrophobicContact CH2-CD1 3.72Å; W511-I542 HydrophobicContact CZ3-CD1 3.61Å; W511-L544 HydrophobicContact CE3-CD1 3.7Å; W511-L544 HydrophobicContact CZ3-CD1 3.73Å; W511-L544 HydrophobicContact CZ3-CD2 4.35Å; W511-L550 HydrophobicContact CD2-CD2 3.97Å; W511-L550 HydrophobicContact CE3-CD1 4.47Å; W511-L550 HydrophobicContact CE3-CD2 3.83Å; W511-L550 HydrophobicContact CG-CD2 4.43Å; W511-L550 HydrophobicContact CH2-CD1 4.19Å; W511-L550 HydrophobicContact CZ3-CD1 4.07Å; W511-L550 HydrophobicContact CZ3-CD2 4.26Å; W511-Q554 HydrophobicContact CG-CB 4.42Å; W511-Q554 HydrophobicContact CG-CG 4.29Å; W511-Q554 WeakPolarHBondContact CZ2-O 3.48Å; W511-Q554 PolarHBondContact NE1-O 3.38Å; W511-Q554 VanDerWaalsContact NE1-O 3.07Å
512	P	91.1	Very high	94.5	Very high	109 Å²	109	34.9 Å²	34.9	71%	0.708	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	126.2	-173.8	-26.9	35.5	0	0	0	112.5	Q510 A514	Q510-P512 WeakPolarHBondContact O-CD 3.42Å; P512-A514 PolarHBondContact O-N 3.43Å
513	G	90.8	Very high	94.4	Very high	58 Å²	58	34.9 Å²	34.9	60%	0.598	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.3	-5.1	179.1	0	0	0	0	0	115.4	W511 G546	W511-G513 PolarHBondContact O-N 3.35Å; G513-G546 WeakPolarHBondContact O-CA 3.49Å
514	A	94	Very high	94	Very high	14 Å²	14	35.5 Å²	35.5	12%	0.116	22%	0.215	C	C	.	.			trans	-77.2	135.7	178.9	0	0	0	0	0	111.6	V508 W511 P512 L544 K545 V547	V508-A514 HydrophobicContact CG1-CB 4.22Å; W511-A514 HydrophobicContact CB-CB 3.63Å; W511-A514 HydrophobicContact CE3-CB 4.35Å; W511-A514 WeakPolarHBondContact O-CB 3.46Å; W511-A514 PolarHBondContact O-N 2.78Å; P512-A514 PolarHBondContact O-N 3.43Å; A514-L544 HydrophobicContact CB-CD1 4.24Å; A514-K545 CarbonylContact C-O 3.55Å; A514-K545 WeakPolarHBondContact CA-O 3.26Å; A514-V547 HydrophobicContact CB-CG1 3.86Å; A514-V547 HydrophobicContact CB-CG2 4.06Å
515	Q	92.4	Very high	93.5	Very high	124 Å²	124	38.6 Å²	38.6	58%	0.579	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-127.2	126	169.6	-65.9	179.7	-14.7	0	0	108.7	V517 L544 K545	Q515-V517 PolarHBondContact O-N 3.1Å; Q515-L544 CarbonylContact O-C 3.57Å; Q515-L544 VanDerWaalsContact O-CA 3.29Å; Q515-L544 WeakPolarHBondContact O-CA 3.23Å; Q515-K545 HydrophobicContact CB-CB 4.3Å; Q515-K545 PolarHBondContact N-O 3.43Å; Q515-K545 PolarHBondContact O-N 2.87Å
516	L	94.6	Very high	93	Very high	27 Å²	27	37.8 Å²	37.8	14%	0.141	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	123.2	177.2	-177	64.5	0	0	0	110	L501 L504 V508 L544	L501-L516 HydrophobicContact CD1-CD2 4.2Å; L504-L516 HydrophobicContact CD2-CD1 4.06Å; L504-L516 HydrophobicContact CD2-CD2 3.79Å; L504-L516 HydrophobicContact CG-CD2 4.14Å; V508-L516 HydrophobicContact CG1-CB 4.33Å; V508-L516 HydrophobicContact CG2-CB 4.42Å; L516-L544 HydrophobicContact CB-CD2 4.38Å; L516-L544 HydrophobicContact CD1-CD2 3.96Å
517	V	92.8	Very high	92.2	Very high	29 Å²	29	33.9 Å²	33.9	18%	0.176	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	-51.4	173.6	179.9	0	0	0	0	109.7	Q515 E543 K545	Q515-V517 PolarHBondContact O-N 3.1Å; V517-E543 HydrophobicContact CB-CB 4.23Å; V517-E543 HydrophobicContact CB-CG 4.03Å; V517-E543 WeakPolarHBondContact CB-O 3.49Å; V517-E543 HydrophobicContact CG1-CG 4.28Å; V517-E543 PolarHBondContact N-O 3.3Å; V517-K545 HydrophobicContact CG2-CB 3.95Å
518	D	95.1	Very high	90.9	Very high	3 Å²	3	35.7 Å²	35.7	2%	0.016	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	164.4	-178.5	-143.5	-27.1	0	0	0	111.5	Y372 E543 F591 R613	Y372-D518 VanDerWaalsContact OH-CG 3.29Å; Y372-D518 PolarHBondContact OH-OD1 3.07Å; Y372-D518 PolarHBondContact OH-OD2 3.3Å; D518-E543 PolarHBondContact N-O 3.24Å; D518-E543 PolarHBondContact O-N 3.46Å; D518-F591 HydrophobicContact CB-CB 3.94Å; D518-F591 HydrophobicContact CB-CD1 4.31Å; D518-F591 HydrophobicContact CB-CD2 3.63Å; D518-F591 HydrophobicContact CB-CE2 4.18Å; D518-F591 HydrophobicContact CB-CG 3.69Å; D518-R613 IonicContact OD1-CZ 2.7Å; D518-R613 IonicContact OD1-NH1 2.96Å; D518-R613 PolarHBondContact OD1-NH1 3.26Å; D518-R613 IonicContact OD1-NH2 2.74Å
519	Y	96.3	Very high	89.4	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.008	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	152.5	175.8	81.4	-73.1	0	0	0	113.4	I371 F500 L501 L504 F541 R613	I371-Y519 HydrophobicContact CG2-CE1 4.49Å; F500-Y519 HydrophobicContact CD1-CD2 4.13Å; F500-Y519 AromaticContact CD1-CE2 3.6Å; F500-Y519 HydrophobicContact CD1-CE2 3.6Å; F500-Y519 AromaticContact CE1-CD2 3.88Å; F500-Y519 HydrophobicContact CE1-CD2 3.88Å; F500-Y519 AromaticContact CE1-CE2 3.84Å; F500-Y519 HydrophobicContact CE1-CE2 3.84Å; L501-Y519 HydrophobicContact CD1-CD1 4.34Å; L501-Y519 HydrophobicContact CD1-CE1 3.68Å; L504-Y519 HydrophobicContact CD2-CD1 3.97Å; L504-Y519 HydrophobicContact CD2-CD2 3.9Å; L504-Y519 HydrophobicContact CD2-CG 3.6Å; Y519-F541 VanDerWaalsContact CA-O 3.23Å; Y519-F541 WeakPolarHBondContact CA-O 3.37Å; Y519-F541 WeakPolarHBondContact CB-O 3.29Å; Y519-R613 PolarHBondContact O-NH1 3.38Å
520	S	96	Very high	87.6	Confident	0 Å²	0	42 Å²	42	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	156.2	164.1	-70.6	0	0	0	0	109.8	F541 F591 H612 R613	S520-F541 PolarHBondContact N-O 3.4Å; S520-F541 VanDerWaalsContact N-O 3.07Å; S520-F541 PolarHBondContact O-N 3.44Å; S520-F591 WeakPolarHBondContact OG-CE1 3.28Å; S520-H612 WeakPolarHBondContact CB-O 3.4Å; S520-H612 PolarHBondContact OG-O 3.19Å; S520-R613 CarbonylContact C-O 3.58Å
521	C	95.1	Very high	85.7	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.007	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	156.3	178.2	-56.7	0	0	0	0	109.9	L488 F500 Q539 R613 V614 L615	L488-C521 HydrophobicContact CD1-CB 3.7Å; L488-C521 HydrophobicContact CD2-CB 3.69Å; L488-C521 HydrophobicContact CG-CB 4.17Å; F500-C521 WeakPolarHBondContact CE1-SG 3.12Å; F500-C521 WeakPolarHBondContact CZ-SG 3.45Å; C521-Q539 CarbonylContact C-O 3.49Å; C521-Q539 VanDerWaalsContact CA-O 3.28Å; C521-Q539 WeakPolarHBondContact CA-O 3.27Å; C521-R613 PolarHBondContact N-O 3.45Å; C521-V614 CarbonylContact O-C 3.54Å; C521-V614 WeakPolarHBondContact O-CA 3.42Å; C521-L615 PolarHBondContact O-N 3.29Å
522	A	93	Very high	83.8	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	146.1	172.1	0	0	0	0	0	108.8	I526 Q539 F541 L615 A621	A522-I526 HydrophobicContact CB-CD1 3.56Å; A522-I526 HydrophobicContact CB-CG1 4.3Å; A522-Q539 HydrophobicContact CB-CB 4.16Å; A522-Q539 PolarHBondContact N-O 2.95Å; A522-Q539 PolarHBondContact O-N 3.46Å; A522-F541 HydrophobicContact CB-CE2 4.36Å; A522-L615 HydrophobicContact CB-CB 4.37Å; A522-A621 HydrophobicContact CB-CB 4.06Å
523	E	92.3	Very high	82	Confident	28 Å²	28	40.2 Å²	40.2	13%	0.131	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	133.1	167	-70.1	157.6	-169.7	0	0	108.1	L488 N489 V490 G525 I526 R616	L488-E523 HydrophobicContact CD2-CG 4.25Å; N489-E523 PolarHBondContact N-OE1 2.97Å; V490-E523 HydrophobicContact CG1-CB 3.94Å; V490-E523 HydrophobicContact CG1-CG 3.9Å; E523-G525 PolarHBondContact O-N 2.98Å; E523-I526 WeakPolarHBondContact O-CG1 3.34Å; E523-I526 PolarHBondContact O-N 3.11Å; E523-R616 IonicContact OE1-CZ 2.69Å; E523-R616 IonicContact OE1-NH1 2.84Å; E523-R616 PolarHBondContact OE1-NH1 2.95Å; E523-R616 IonicContact OE1-NH2 3.12Å; E523-R616 IonicContact OE2-NH1 2.79Å; E523-R616 PolarHBondContact OE2-NH1 3.07Å
524	S	89.3	Confident	80.6	Confident	14 Å²	14	40 Å²	40	10%	0.098	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-55.4	-29	-175.7	62.9	0	0	0	0	113.3	I526 L527 P536 H537	S524-I526 PolarHBondContact O-N 3.38Å; S524-L527 PolarHBondContact O-N 3.39Å; S524-L527 VanDerWaalsContact O-N 3.12Å; S524-P536 WeakPolarHBondContact OG-CA 3.41Å; S524-H537 VanDerWaalsContact CB-CE1 3.41Å; S524-H537 WeakPolarHBondContact CB-CE1 3.45Å; S524-H537 VanDerWaalsContact CB-O 3.29Å; S524-H537 WeakPolarHBondContact CB-O 3.43Å; S524-H537 PolarHBondContact N-O 3.31Å; S524-H537 PolarHBondContact OG-N 3.47Å; S524-H537 PolarHBondContact OG-O 3.25Å
525	G	84.3	Confident	79.8	Confident	65 Å²	65	43.8 Å²	43.8	67%	0.67	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-57.9	-29.2	177.8	0	0	0	0	0	114.5	E523 L527 G528	E523-G525 PolarHBondContact O-N 2.98Å; G525-L527 VanDerWaalsContact C-N 3.28Å; G525-L527 PolarHBondContact O-N 3.34Å; G525-G528 PolarHBondContact O-N 3.45Å
526	I	85.4	Confident	79.6	Confident	36 Å²	36	39.6 Å²	39.6	19%	0.185	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-73.5	-23.2	-179.8	80.9	-176.1	0	0	0	112.7	A522 E523 S524 L615 K618 A621	A522-I526 HydrophobicContact CB-CD1 3.56Å; A522-I526 HydrophobicContact CB-CG1 4.3Å; E523-I526 WeakPolarHBondContact O-CG1 3.34Å; E523-I526 PolarHBondContact O-N 3.11Å; S524-I526 PolarHBondContact O-N 3.38Å; I526-L615 WeakPolarHBondContact CD1-O 2.76Å; I526-K618 WeakPolarHBondContact O-CB 3.33Å; I526-K618 WeakPolarHBondContact O-CD 3.17Å; I526-K618 WeakPolarHBondContact O-CG 3.38Å; I526-A621 HydrophobicContact CD1-CB 4.14Å
527	L	78.6	Confident	79.5	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-15.8	-179.1	-71.6	166	0	0	0	111.4	S524 G525 S530 I531 Q539 K618 A621 E622 L625	S524-L527 PolarHBondContact O-N 3.39Å; S524-L527 VanDerWaalsContact O-N 3.12Å; G525-L527 VanDerWaalsContact C-N 3.28Å; G525-L527 PolarHBondContact O-N 3.34Å; L527-S530 WeakPolarHBondContact O-CB 3.35Å; L527-S530 PolarHBondContact O-OG 3.49Å; L527-S530 VanDerWaalsContact O-OG 3.05Å; L527-I531 HydrophobicContact CB-CD1 3.57Å; L527-I531 HydrophobicContact CB-CG1 3.67Å; L527-I531 HydrophobicContact CD1-CD1 3.42Å; L527-I531 VanDerWaalsContact CD1-CD1 3.42Å; L527-I531 HydrophobicContact CD1-CG1 4.18Å; L527-I531 HydrophobicContact CG-CD1 4.12Å; L527-Q539 HydrophobicContact CD1-CB 4.2Å; L527-Q539 HydrophobicContact CD1-CG 3.9Å; L527-K618 PolarHBondContact O-NZ 3.13Å; L527-A621 HydrophobicContact CD1-CB 4.44Å; L527-A621 HydrophobicContact CD2-CB 3.71Å; L527-A621 HydrophobicContact CG-CB 4.24Å; L527-E622 HydrophobicContact CD2-CG 3.97Å; L527-L625 HydrophobicContact CD1-CD1 4.01Å; L527-L625 HydrophobicContact CD2-CD1 3.8Å
528	G	70.1	Confident	79.6	Confident	37 Å²	37	37 Å²	37	38%	0.381	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	61.2	-149.5	-179.8	0	0	0	0	0	112.6	G525 S530	G525-G528 PolarHBondContact O-N 3.45Å; G528-S530 PolarHBondContact O-N 3.23Å
529	D	62.5	Low	79.5	Confident	154 Å²	154	36.9 Å²	36.9	82%	0.824	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-67.4	-6.4	-176.3	-59.6	-34.9	0	0	0	114.3	I531 G532	D529-I531 PolarHBondContact O-N 3.45Å; D529-G532 PolarHBondContact O-N 3Å
530	S	56.9	Low	79.6	Confident	79 Å²	79	36.8 Å²	36.8	55%	0.552	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-59.4	-15.8	-179.7	-52.9	0	0	0	0	114.1	L527 G528 K618	L527-S530 WeakPolarHBondContact O-CB 3.35Å; L527-S530 PolarHBondContact O-OG 3.49Å; L527-S530 VanDerWaalsContact O-OG 3.05Å; G528-S530 PolarHBondContact O-N 3.23Å; S530-K618 PolarHBondContact OG-NZ 3.02Å; S530-K618 VanDerWaalsContact OG-NZ 3.07Å
531	I	55.6	Low	79.7	Confident	32 Å²	32	36.8 Å²	36.8	16%	0.164	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-114.8	10.2	178.6	7.2	171.5	0	0	0	114.4	L527 D529 R582	L527-I531 HydrophobicContact CB-CD1 3.57Å; L527-I531 HydrophobicContact CB-CG1 3.67Å; L527-I531 HydrophobicContact CD1-CD1 3.42Å; L527-I531 VanDerWaalsContact CD1-CD1 3.42Å; L527-I531 HydrophobicContact CD1-CG1 4.18Å; L527-I531 HydrophobicContact CG-CD1 4.12Å; D529-I531 PolarHBondContact O-N 3.45Å; I531-R582 PolarHBondContact O-NH1 3.07Å; I531-R582 VanDerWaalsContact O-NH1 3.07Å; I531-R582 PolarHBondContact O-NH2 3.39Å
532	G	53.1	Low	79.8	Confident	45 Å²	45	36.8 Å²	36.8	46%	0.464	27%	0.266	S	S	.	.			trans	78.6	161.9	-177.4	0	0	0	0	0	113.9	D529 S534	D529-G532 PolarHBondContact O-N 3Å; G532-S534 PolarHBondContact O-N 3.15Å
533	G	54.2	Low	79.9	Confident	97 Å²	97	37.5 Å²	37.5	100%	1	27%	0.269	S	S	*	.	S	Bend	trans	-69.9	65.3	-179.2	0	0	0	0	0	113.7
534	S	61	Low	80.1	Confident	53 Å²	53	37 Å²	37	37%	0.371	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-102.9	155.9	177	60.5	0	0	0	0	111.8	G532 H537 R582	G532-S534 PolarHBondContact O-N 3.15Å; S534-H537 PolarHBondContact OG-CE1 2.99Å; S534-H537 VanDerWaalsContact OG-CE1 3.28Å; S534-R582 VanDerWaalsContact CB-NH2 3.32Å; S534-R582 PolarHBondContact OG-NH2 3.37Å
535	D	76.6	Confident	80.2	Confident	94 Å²	94	42.1 Å²	42.1	50%	0.503	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-51.7	148.2	174.2	-64	-45	0	0	0	111.5	H537	D535-H537 PolarHBondContact O-N 2.95Å; D535-H537 PolarHBondContact O-ND1 3.41Å
536	P	89.2	Confident	80.6	Confident	35 Å²	35	42 Å²	42	23%	0.227	29%	0.287	C	S	.	.	S	Bend	trans	-54.1	129.5	176.2	-26.3	36	0	0	0	111.2	V490 S524 I578 G579	V490-P536 HydrophobicContact CB-CB 3.85Å; V490-P536 HydrophobicContact CG1-CB 4.42Å; V490-P536 HydrophobicContact CG2-CB 4.25Å; S524-P536 WeakPolarHBondContact OG-CA 3.41Å; P536-I578 CarbonylContact O-C 3.59Å; P536-I578 VanDerWaalsContact O-CA 3.27Å; P536-I578 WeakPolarHBondContact O-CA 3.13Å; P536-G579 PolarHBondContact O-N 3.49Å
537	H	91.9	Very high	80.9	Confident	3 Å²	3	41.9 Å²	41.9	1%	0.014	29%	0.288	C	S	.	.			trans	-150	171	-173.9	61.9	-85.2	0	0	0	111	S524 S534 D535 R582	S524-H537 VanDerWaalsContact CB-CE1 3.41Å; S524-H537 WeakPolarHBondContact CB-CE1 3.45Å; S524-H537 VanDerWaalsContact CB-O 3.29Å; S524-H537 WeakPolarHBondContact CB-O 3.43Å; S524-H537 PolarHBondContact N-O 3.31Å; S524-H537 PolarHBondContact OG-N 3.47Å; S524-H537 PolarHBondContact OG-O 3.25Å; S534-H537 PolarHBondContact OG-CE1 2.99Å; S534-H537 VanDerWaalsContact OG-CE1 3.28Å; D535-H537 PolarHBondContact O-N 2.95Å; D535-H537 PolarHBondContact O-ND1 3.41Å; H537-R582 VanDerWaalsContact NE2-CD 3.31Å; H537-R582 WeakPolarHBondContact NE2-CD 3.43Å; H537-R582 PolarHBondContact NE2-NE 3.22Å
538	Y	94.6	Very high	81.3	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	128.4	172	-59	-20.2	0	0	0	110.8	L488 V490 E493 V495 F500 L562 Y569 M581 R582	L488-Y538 HydrophobicContact CB-CD1 4.41Å; L488-Y538 HydrophobicContact CB-CE1 3.85Å; L488-Y538 HydrophobicContact CB-CE2 4.23Å; L488-Y538 HydrophobicContact CD1-CD2 4.02Å; L488-Y538 HydrophobicContact CD1-CE2 4.07Å; L488-Y538 HydrophobicContact CD1-CG 4.27Å; L488-Y538 HydrophobicContact CD2-CD1 4.49Å; V490-Y538 HydrophobicContact CG1-CD1 4.04Å; V490-Y538 HydrophobicContact CG1-CE1 3.99Å; V490-Y538 HydrophobicContact CG2-CE1 3.98Å; E493-Y538 VanDerWaalsContact CD-OH 3.25Å; E493-Y538 WeakPolarHBondContact CG-OH 3.23Å; E493-Y538 VanDerWaalsContact OE1-CE1 3.27Å; E493-Y538 WeakPolarHBondContact OE1-CE1 3.29Å; E493-Y538 VanDerWaalsContact OE1-CZ 3.28Å; E493-Y538 PolarHBondContact OE1-OH 3.12Å; V495-Y538 HydrophobicContact CB-CE2 4.48Å; V495-Y538 HydrophobicContact CG2-CE2 4.25Å; V495-Y538 VanDerWaalsContact CG2-OH 3.28Å; V495-Y538 WeakPolarHBondContact CG2-OH 3.29Å; F500-Y538 HydrophobicContact CE2-CD2 4.33Å; Y538-L562 HydrophobicContact CD2-CD2 4.19Å; Y538-L562 HydrophobicContact CE2-CD2 3.85Å; Y538-Y569 AromaticContact CD2-CE2 3.92Å; Y538-Y569 HydrophobicContact CD2-CE2 3.92Å; Y538-Y569 AromaticContact CE2-CD2 3.88Å; Y538-Y569 HydrophobicContact CE2-CD2 3.88Å; Y538-Y569 AromaticContact CE2-CE2 3.41Å; Y538-Y569 HydrophobicContact CE2-CE2 3.41Å; Y538-Y569 VanDerWaalsContact CE2-CE2 3.41Å; Y538-Y569 AromaticContact CZ-CE2 3.86Å; Y538-M581 HydrophobicContact CD2-CE 4.42Å; Y538-M581 CarbonylContact O-C 3.48Å; Y538-M581 VanDerWaalsContact O-CA 3.27Å; Y538-M581 WeakPolarHBondContact O-CA 3.22Å; Y538-M581 WeakPolarHBondContact O-CB 3.36Å; Y538-R582 PolarHBondContact O-N 2.91Å
539	Q	94.6	Very high	82.4	Confident	0 Å²	0	56 Å²	56	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	115.3	166.4	-176.4	57.8	71.3	0	0	107.8	C521 A522 L527 F541 R582	C521-Q539 CarbonylContact C-O 3.49Å; C521-Q539 VanDerWaalsContact CA-O 3.28Å; C521-Q539 WeakPolarHBondContact CA-O 3.27Å; A522-Q539 HydrophobicContact CB-CB 4.16Å; A522-Q539 PolarHBondContact N-O 2.95Å; A522-Q539 PolarHBondContact O-N 3.46Å; L527-Q539 HydrophobicContact CD1-CB 4.2Å; L527-Q539 HydrophobicContact CD1-CG 3.9Å; Q539-F541 HydrophobicContact CG-CE1 4.19Å; Q539-F541 HydrophobicContact CG-CE2 3.72Å; Q539-F541 HydrophobicContact CG-CZ 3.46Å; Q539-F541 VanDerWaalsContact CG-CZ 3.46Å; Q539-R582 PolarHBondContact NE2-O 3.29Å
540	V	96.9	Very high	83.8	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129.3	-173.7	-173.7	0	0	0	0	108.9	F500 I542 L558 M581 R582 V583 Q584	F500-V540 HydrophobicContact CE1-CG1 4.23Å; F500-V540 HydrophobicContact CE2-CG2 4.21Å; F500-V540 HydrophobicContact CZ-CB 4.43Å; F500-V540 HydrophobicContact CZ-CG1 3.78Å; F500-V540 HydrophobicContact CZ-CG2 3.73Å; V540-I542 HydrophobicContact CG1-CG2 4.06Å; V540-L558 HydrophobicContact CG1-CD2 4.02Å; V540-L558 HydrophobicContact CG2-CD2 4.46Å; V540-M581 HydrophobicContact CG2-CB 4.36Å; V540-M581 HydrophobicContact CG2-SD 4.17Å; V540-R582 PolarHBondContact N-O 3.18Å; V540-V583 HydrophobicContact CB-CG2 4.35Å; V540-V583 CarbonylContact O-C 3.49Å; V540-Q584 PolarHBondContact O-N 2.9Å
541	F	97.6	Very high	85.5	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	128.2	175.7	-54.8	-82.1	0	0	0	108.7	Y519 S520 A522 Q539 Q584 V586 F591 L615 A621 L624 L625	Y519-F541 VanDerWaalsContact CA-O 3.23Å; Y519-F541 WeakPolarHBondContact CA-O 3.37Å; Y519-F541 WeakPolarHBondContact CB-O 3.29Å; S520-F541 PolarHBondContact N-O 3.4Å; S520-F541 VanDerWaalsContact N-O 3.07Å; S520-F541 PolarHBondContact O-N 3.44Å; A522-F541 HydrophobicContact CB-CE2 4.36Å; Q539-F541 HydrophobicContact CG-CE1 4.19Å; Q539-F541 HydrophobicContact CG-CE2 3.72Å; Q539-F541 HydrophobicContact CG-CZ 3.46Å; Q539-F541 VanDerWaalsContact CG-CZ 3.46Å; F541-Q584 WeakPolarHBondContact CA-O 3.48Å; F541-Q584 HydrophobicContact CD1-CB 3.91Å; F541-Q584 HydrophobicContact CD1-CG 4.27Å; F541-Q584 HydrophobicContact CE1-CB 4.37Å; F541-Q584 HydrophobicContact CE1-CG 4.26Å; F541-V586 HydrophobicContact CB-CG1 4.16Å; F541-V586 HydrophobicContact CD1-CG1 4.1Å; F541-F591 HydrophobicContact CB-CZ 4.05Å; F541-L615 HydrophobicContact CD2-CD1 4.4Å; F541-L615 HydrophobicContact CE2-CD1 4.32Å; F541-A621 HydrophobicContact CE2-CB 4.23Å; F541-A621 HydrophobicContact CZ-CB 4.35Å; F541-A621 WeakPolarHBondContact CZ-O 3.37Å; F541-L624 HydrophobicContact CB-CB 4.33Å; F541-L624 HydrophobicContact CB-CD1 3.66Å; F541-L624 HydrophobicContact CD1-CB 3.51Å; F541-L624 HydrophobicContact CD1-CD1 4.28Å; F541-L624 HydrophobicContact CD2-CB 4.14Å; F541-L624 HydrophobicContact CD2-CD1 3.68Å; F541-L624 HydrophobicContact CE1-CB 3.7Å; F541-L624 HydrophobicContact CE2-CB 4.31Å; F541-L624 HydrophobicContact CE2-CD1 4.37Å; F541-L624 HydrophobicContact CG-CB 3.73Å; F541-L624 HydrophobicContact CG-CD1 3.61Å; F541-L624 HydrophobicContact CG-CG 4.33Å; F541-L624 HydrophobicContact CZ-CB 4.1Å; F541-L625 HydrophobicContact CE1-CB 4.38Å; F541-L625 HydrophobicContact CE1-CD2 3.69Å; F541-L625 HydrophobicContact CE1-CG 3.66Å; F541-L625 HydrophobicContact CZ-CD2 4.04Å; F541-L625 HydrophobicContact CZ-CG 3.76Å
542	I	97.4	Very high	87.2	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	133.2	-178.2	52.4	175.4	0	0	0	110.3	L504 W511 V540 L544 L550 V583 Q584 L585 V586	L504-I542 HydrophobicContact CD1-CG2 4.05Å; L504-I542 HydrophobicContact CD2-CG2 4.24Å; W511-I542 HydrophobicContact CH2-CD1 3.72Å; W511-I542 HydrophobicContact CZ3-CD1 3.61Å; V540-I542 HydrophobicContact CG1-CG2 4.06Å; I542-L544 HydrophobicContact CD1-CD1 4.09Å; I542-L544 HydrophobicContact CD1-CG 4.32Å; I542-L550 HydrophobicContact CD1-CD1 3.47Å; I542-L550 VanDerWaalsContact CD1-CD1 3.47Å; I542-L550 HydrophobicContact CG1-CD1 4.47Å; I542-V583 HydrophobicContact CD1-CG1 3.39Å; I542-V583 HydrophobicContact CG1-CG1 3.91Å; I542-Q584 WeakPolarHBondContact CG1-O 3.14Å; I542-Q584 PolarHBondContact N-O 3.27Å; I542-L585 WeakPolarHBondContact O-CA 3.41Å; I542-V586 WeakPolarHBondContact O-CG2 2.99Å; I542-V586 PolarHBondContact O-N 3.43Å
543	E	96.7	Very high	89.1	Confident	16 Å²	16	59.2 Å²	59.2	8%	0.075	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	122.1	168.1	-174.2	176.3	155.9	0	0	107.5	V517 D518 V586 G589 A590 F591	V517-E543 HydrophobicContact CB-CB 4.23Å; V517-E543 HydrophobicContact CB-CG 4.03Å; V517-E543 WeakPolarHBondContact CB-O 3.49Å; V517-E543 HydrophobicContact CG1-CG 4.28Å; V517-E543 PolarHBondContact N-O 3.3Å; D518-E543 PolarHBondContact N-O 3.24Å; D518-E543 PolarHBondContact O-N 3.46Å; E543-V586 HydrophobicContact CB-CG2 3.89Å; E543-G589 PolarHBondContact OE1-N 3.39Å; E543-A590 PolarHBondContact OE2-N 3.03Å; E543-F591 HydrophobicContact CB-CD2 3.59Å; E543-F591 HydrophobicContact CB-CE2 3.78Å; E543-F591 WeakPolarHBondContact OE2-CD2 3.39Å; E543-F591 PolarHBondContact OE2-N 3.37Å
544	L	95.4	Very high	90.9	Very high	17 Å²	17	56 Å²	56	9%	0.089	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	145.9	-178.4	-58.9	178.8	0	0	0	110.4	V508 W511 A514 Q515 L516 I542 V547 L550 L585	V508-L544 HydrophobicContact CG2-CD2 4.27Å; W511-L544 HydrophobicContact CE3-CD1 3.7Å; W511-L544 HydrophobicContact CZ3-CD1 3.73Å; W511-L544 HydrophobicContact CZ3-CD2 4.35Å; A514-L544 HydrophobicContact CB-CD1 4.24Å; Q515-L544 CarbonylContact O-C 3.57Å; Q515-L544 VanDerWaalsContact O-CA 3.29Å; Q515-L544 WeakPolarHBondContact O-CA 3.23Å; L516-L544 HydrophobicContact CB-CD2 4.38Å; L516-L544 HydrophobicContact CD1-CD2 3.96Å; I542-L544 HydrophobicContact CD1-CD1 4.09Å; I542-L544 HydrophobicContact CD1-CG 4.32Å; L544-V547 HydrophobicContact CB-CG2 3.64Å; L544-V547 HydrophobicContact CD1-CG2 3.55Å; L544-V547 HydrophobicContact CG-CG2 4.27Å; L544-L550 HydrophobicContact CD1-CD1 4.08Å; L544-L550 HydrophobicContact CD1-CD2 3.96Å; L544-L550 HydrophobicContact CD1-CG 4.37Å; L544-L585 HydrophobicContact CB-CD1 3.9Å; L544-L585 HydrophobicContact CD1-CD1 3.98Å; L544-L585 HydrophobicContact CG-CD1 3.85Å
545	K	92.1	Very high	92.4	Very high	121 Å²	121	55.2 Å²	55.2	53%	0.526	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	146	166.1	-172.7	176.4	-177.7	177.1	0	109.9	A514 Q515 V517	A514-K545 CarbonylContact C-O 3.55Å; A514-K545 WeakPolarHBondContact CA-O 3.26Å; Q515-K545 HydrophobicContact CB-CB 4.3Å; Q515-K545 PolarHBondContact N-O 3.43Å; Q515-K545 PolarHBondContact O-N 2.87Å; V517-K545 HydrophobicContact CG2-CB 3.95Å
546	G	91.3	Very high	93.2	Very high	64 Å²	64	55.9 Å²	55.9	66%	0.66	28%	0.275	S	S	*	.	S	Bend	trans	87.3	-2.1	173.2	0	0	0	0	0	115.7	G513	G513-G546 WeakPolarHBondContact O-CA 3.49Å
547	V	92.7	Very high	93.5	Very high	32 Å²	32	56.1 Å²	56.1	19%	0.194	27%	0.273	C	S	.	.			trans	-132.9	148.5	174.8	-66.3	0	0	0	0	111.1	A514 L544	A514-V547 HydrophobicContact CB-CG1 3.86Å; A514-V547 HydrophobicContact CB-CG2 4.06Å; L544-V547 HydrophobicContact CB-CG2 3.64Å; L544-V547 HydrophobicContact CD1-CG2 3.55Å; L544-V547 HydrophobicContact CG-CG2 4.27Å
548	R	87.8	Confident	93.7	Very high	237 Å²	237	56 Å²	56	89%	0.894	27%	0.272	S	S	*	.	S	Bend	trans	-104.9	-21.1	179.4	-67.4	-174.8	177.8	-178.5	-0.5	114
549	N	92.2	Very high	93.7	Very high	96 Å²	96	56 Å²	56	51%	0.513	27%	0.272	S	S	.	.			trans	-155.2	156.4	-176	-165.2	-39.8	0	0	0	108.3	S630	N549-S630 PolarHBondContact ND2-OG 2.68Å; N549-S630 VanDerWaalsContact ND2-OG 3.14Å; N549-S630 PolarHBondContact OD1-OG 3.14Å
550	L	91.9	Very high	93.8	Very high	3 Å²	3	60 Å²	60	2%	0.016	29%	0.293	C	S	.	.			trans	-117.9	129.2	171.4	-63.6	171.6	0	0	0	110.3	W511 I542 L544 Q554 R555 V583 L585	W511-L550 HydrophobicContact CD2-CD2 3.97Å; W511-L550 HydrophobicContact CE3-CD1 4.47Å; W511-L550 HydrophobicContact CE3-CD2 3.83Å; W511-L550 HydrophobicContact CG-CD2 4.43Å; W511-L550 HydrophobicContact CH2-CD1 4.19Å; W511-L550 HydrophobicContact CZ3-CD1 4.07Å; W511-L550 HydrophobicContact CZ3-CD2 4.26Å; I542-L550 HydrophobicContact CD1-CD1 3.47Å; I542-L550 VanDerWaalsContact CD1-CD1 3.47Å; I542-L550 HydrophobicContact CG1-CD1 4.47Å; L544-L550 HydrophobicContact CD1-CD1 4.08Å; L544-L550 HydrophobicContact CD1-CD2 3.96Å; L544-L550 HydrophobicContact CD1-CG 4.37Å; L550-Q554 HydrophobicContact CB-CB 4.29Å; L550-Q554 HydrophobicContact CD2-CB 4.26Å; L550-R555 HydrophobicContact CB-CG 3.99Å; L550-R555 PolarHBondContact O-NE 3.32Å; L550-R555 PolarHBondContact O-NH2 2.96Å; L550-V583 HydrophobicContact CD1-CG1 4.49Å; L550-L585 HydrophobicContact CD1-CB 4.42Å
551	T	93.1	Very high	93.8	Very high	76 Å²	76	60.7 Å²	60.7	47%	0.466	30%	0.297	S	S	.	.			trans	-65.7	159.8	172.5	70.9	0	0	0	0	111	E553 Q554 R555	T551-E553 PolarHBondContact O-N 3.21Å; T551-Q554 WeakPolarHBondContact O-CB 3.41Å; T551-Q554 PolarHBondContact O-N 3.45Å; T551-Q554 VanDerWaalsContact O-N 3.07Å; T551-Q554 WeakPolarHBondContact OG1-CG 3.4Å; T551-Q554 PolarHBondContact OG1-N 3.35Å; T551-Q554 PolarHBondContact OG1-OE1 2.93Å; T551-R555 WeakPolarHBondContact O-CG 3.39Å; T551-R555 PolarHBondContact O-N 3.4Å
552	E	91.5	Very high	93.7	Very high	175 Å²	175	60.7 Å²	60.7	82%	0.818	30%	0.297	S	S	*	.	H	α-helix	trans	-57	-40	175.2	-67.3	-175.6	167.9	0	0	111.9	Q554 R555 Y556	E552-Q554 VanDerWaalsContact C-N 3.35Å; E552-Q554 PolarHBondContact O-N 3.47Å; E552-R555 PolarHBondContact O-N 3.24Å; E552-Y556 WeakPolarHBondContact O-CB 3.45Å; E552-Y556 PolarHBondContact O-N 3.24Å
553	E	91.8	Very high	93.6	Very high	125 Å²	125	62 Å²	62	58%	0.584	30%	0.303	S	S	*	.	H	α-helix	trans	-59.3	-45.8	174.5	-168.4	-157.8	137.9	0	0	111.1	T551 R555 Y556 K557	T551-E553 PolarHBondContact O-N 3.21Å; E553-R555 PolarHBondContact O-N 3.3Å; E553-Y556 PolarHBondContact O-N 2.92Å; E553-K557 WeakPolarHBondContact O-CG 3.38Å; E553-K557 PolarHBondContact O-N 3.21Å; E553-K557 WeakPolarHBondContact OE1-CE 3.43Å; E553-K557 IonicContact OE1-NZ 3.19Å; E553-K557 PolarHBondContact OE1-NZ 3.07Å
554	Q	92.8	Very high	93.5	Very high	30 Å²	30	69.6 Å²	69.6	14%	0.14	34%	0.336	C	S	.	.	H	α-helix	trans	-61.6	-44.1	178.3	-74.5	173.5	-39.7	0	0	111.7	W511 L550 T551 E552 Y556 K557	W511-Q554 HydrophobicContact CG-CB 4.42Å; W511-Q554 HydrophobicContact CG-CG 4.29Å; W511-Q554 WeakPolarHBondContact CZ2-O 3.48Å; W511-Q554 PolarHBondContact NE1-O 3.38Å; W511-Q554 VanDerWaalsContact NE1-O 3.07Å; L550-Q554 HydrophobicContact CB-CB 4.29Å; L550-Q554 HydrophobicContact CD2-CB 4.26Å; T551-Q554 WeakPolarHBondContact O-CB 3.41Å; T551-Q554 PolarHBondContact O-N 3.45Å; T551-Q554 VanDerWaalsContact O-N 3.07Å; T551-Q554 WeakPolarHBondContact OG1-CG 3.4Å; T551-Q554 PolarHBondContact OG1-N 3.35Å; T551-Q554 PolarHBondContact OG1-OE1 2.93Å; E552-Q554 VanDerWaalsContact C-N 3.35Å; E552-Q554 PolarHBondContact O-N 3.47Å; Q554-Y556 VanDerWaalsContact C-N 3.32Å; Q554-Y556 PolarHBondContact O-N 2.8Å; Q554-K557 WeakPolarHBondContact O-CB 3.32Å; Q554-K557 PolarHBondContact O-N 3.16Å
555	R	93.2	Very high	93.4	Very high	36 Å²	36	71.8 Å²	71.8	14%	0.136	35%	0.348	C	S	.	.	H	α-helix	trans	-61.9	-42.1	176.5	-65.6	175	-161.3	-94.3	-5.9	111.6	L550 T551 E552 E553 K557 L558 V583 S630	L550-R555 HydrophobicContact CB-CG 3.99Å; L550-R555 PolarHBondContact O-NE 3.32Å; L550-R555 PolarHBondContact O-NH2 2.96Å; T551-R555 WeakPolarHBondContact O-CG 3.39Å; T551-R555 PolarHBondContact O-N 3.4Å; E552-R555 PolarHBondContact O-N 3.24Å; E553-R555 PolarHBondContact O-N 3.3Å; R555-K557 VanDerWaalsContact C-N 3.3Å; R555-K557 PolarHBondContact O-N 3.43Å; R555-L558 PolarHBondContact O-N 3.46Å; R555-V583 HydrophobicContact CB-CB 4.11Å; R555-V583 HydrophobicContact CB-CG2 4.41Å; R555-V583 HydrophobicContact CG-CB 4.12Å; R555-V583 PolarHBondContact NH1-O 3.49Å; R555-S630 VanDerWaalsContact NH1-C 3.27Å; R555-S630 PolarHBondContact NH1-O 3.22Å; R555-S630 PolarHBondContact NH1-OXT 3.1Å; R555-S630 VanDerWaalsContact NH1-OXT 3.1Å; R555-S630 PolarHBondContact NH2-O 3.29Å; R555-S630 PolarHBondContact NH2-OG 2.81Å; R555-S630 PolarHBondContact NH2-OXT 2.76Å
556	Y	93.8	Very high	93.5	Very high	108 Å²	108	66.6 Å²	66.6	42%	0.424	33%	0.326	S	S	.	.	H	α-helix	trans	-68.5	-26.9	179.9	-169.7	-114.9	0	0	0	113.1	E552 E553 Q554 L558 D559 I560	E552-Y556 WeakPolarHBondContact O-CB 3.45Å; E552-Y556 PolarHBondContact O-N 3.24Å; E553-Y556 PolarHBondContact O-N 2.92Å; Q554-Y556 VanDerWaalsContact C-N 3.32Å; Q554-Y556 PolarHBondContact O-N 2.8Å; Y556-L558 PolarHBondContact O-N 3.2Å; Y556-L558 VanDerWaalsContact O-N 3.17Å; Y556-D559 HydrophobicContact CD2-CB 4.15Å; Y556-D559 HydrophobicContact CE2-CB 4.21Å; Y556-D559 WeakPolarHBondContact O-CB 3.44Å; Y556-D559 PolarHBondContact O-N 2.84Å; Y556-I560 HydrophobicContact CD1-CD1 3.58Å; Y556-I560 HydrophobicContact CD1-CG1 3.85Å; Y556-I560 HydrophobicContact CE1-CD1 3.62Å; Y556-I560 HydrophobicContact CE1-CG1 3.62Å; Y556-I560 PolarHBondContact O-N 3.11Å; Y556-I560 VanDerWaalsContact O-N 3.09Å
557	K	95.1	Very high	93.4	Very high	40 Å²	40	67.5 Å²	67.5	17%	0.174	33%	0.328	C	S	.	.	H	α-helix	trans	-56.1	-32.8	175.5	-76.4	176.4	-170.3	-177.8	0	113.2	A507 Q510 E553 Q554 R555 I560 C561	A507-K557 HydrophobicContact CB-CB 4.45Å; Q510-K557 HydrophobicContact CB-CD 4.24Å; E553-K557 WeakPolarHBondContact O-CG 3.38Å; E553-K557 PolarHBondContact O-N 3.21Å; E553-K557 WeakPolarHBondContact OE1-CE 3.43Å; E553-K557 IonicContact OE1-NZ 3.19Å; E553-K557 PolarHBondContact OE1-NZ 3.07Å; Q554-K557 WeakPolarHBondContact O-CB 3.32Å; Q554-K557 PolarHBondContact O-N 3.16Å; R555-K557 VanDerWaalsContact C-N 3.3Å; R555-K557 PolarHBondContact O-N 3.43Å; K557-I560 PolarHBondContact O-N 3.21Å; K557-C561 PolarHBondContact O-N 3.36Å; K557-C561 PolarHBondContact O-SG 3.49Å
558	L	96.1	Very high	93.3	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-64.9	-43.1	176	-176.2	54.7	0	0	0	111.9	F500 A503 L504 A507 V540 R555 Y556 I560 C561 L562 M581 V583	F500-L558 HydrophobicContact CZ-CD2 4.04Å; A503-L558 HydrophobicContact CB-CD1 4.42Å; L504-L558 VanDerWaalsContact CA-CD1 3.41Å; L504-L558 HydrophobicContact CB-CD1 3.96Å; L504-L558 HydrophobicContact CD1-CD1 3.98Å; L504-L558 HydrophobicContact CD1-CD2 3.87Å; A507-L558 HydrophobicContact CB-CB 4.17Å; A507-L558 HydrophobicContact CB-CD1 4.05Å; V540-L558 HydrophobicContact CG1-CD2 4.02Å; V540-L558 HydrophobicContact CG2-CD2 4.46Å; R555-L558 PolarHBondContact O-N 3.46Å; Y556-L558 PolarHBondContact O-N 3.2Å; Y556-L558 VanDerWaalsContact O-N 3.17Å; L558-I560 VanDerWaalsContact C-N 3.32Å; L558-I560 PolarHBondContact O-N 2.85Å; L558-C561 PolarHBondContact O-N 2.95Å; L558-L562 PolarHBondContact O-N 3.3Å; L558-M581 HydrophobicContact CB-SD 3.82Å; L558-M581 HydrophobicContact CD2-SD 3.59Å; L558-M581 VanDerWaalsContact CD2-SD 3.59Å; L558-M581 HydrophobicContact CG-CE 4.25Å; L558-M581 HydrophobicContact CG-SD 3.4Å; L558-M581 WeakPolarHBondContact CG-SD 3.31Å; L558-V583 HydrophobicContact CB-CG2 4.3Å; L558-V583 HydrophobicContact CD2-CG2 3.88Å
559	D	94.8	Very high	93.6	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-61	-43.7	175.9	-160.6	65.7	0	0	0	110.8	Y556 L562 Q563 Y569 R573 M581	Y556-D559 HydrophobicContact CD2-CB 4.15Å; Y556-D559 HydrophobicContact CE2-CB 4.21Å; Y556-D559 WeakPolarHBondContact O-CB 3.44Å; Y556-D559 PolarHBondContact O-N 2.84Å; D559-L562 PolarHBondContact O-N 3.18Å; D559-Q563 WeakPolarHBondContact O-CB 3.36Å; D559-Q563 VanDerWaalsContact O-CG 3.26Å; D559-Q563 WeakPolarHBondContact O-CG 3.48Å; D559-Q563 PolarHBondContact O-N 3.42Å; D559-Q563 PolarHBondContact OD2-NE2 3.04Å; D559-Y569 PolarHBondContact OD1-OH 3.25Å; D559-R573 IonicContact OD1-NE 3.35Å; D559-R573 PolarHBondContact OD1-NE 3.17Å; D559-R573 IonicContact OD2-CZ 2.95Å; D559-R573 IonicContact OD2-NE 3.77Å; D559-R573 PolarHBondContact OD2-NE 3.27Å; D559-R573 IonicContact OD2-NH2 2.84Å; D559-R573 PolarHBondContact OD2-NH2 3.44Å; D559-R573 VanDerWaalsContact OD2-NH2 3.09Å; D559-M581 HydrophobicContact CB-CE 4.18Å; D559-M581 HydrophobicContact CB-CG 4.01Å; D559-M581 HydrophobicContact CB-SD 4.34Å
560	I	95.5	Very high	93.7	Very high	85 Å²	85	58.3 Å²	58.3	44%	0.436	29%	0.293	S	S	.	.	H	α-helix	trans	-60.7	-47.5	176.4	-63.5	171.9	0	0	0	111.4	Y556 K557 L558 L562 Q563 K564	Y556-I560 HydrophobicContact CD1-CD1 3.58Å; Y556-I560 HydrophobicContact CD1-CG1 3.85Å; Y556-I560 HydrophobicContact CE1-CD1 3.62Å; Y556-I560 HydrophobicContact CE1-CG1 3.62Å; Y556-I560 PolarHBondContact O-N 3.11Å; Y556-I560 VanDerWaalsContact O-N 3.09Å; K557-I560 PolarHBondContact O-N 3.21Å; L558-I560 VanDerWaalsContact C-N 3.32Å; L558-I560 PolarHBondContact O-N 2.85Å; I560-L562 VanDerWaalsContact C-N 3.33Å; I560-L562 PolarHBondContact O-N 3.41Å; I560-Q563 PolarHBondContact O-N 3.12Å; I560-K564 PolarHBondContact O-N 3.41Å
561	C	96.7	Very high	93.8	Very high	13 Å²	13	60.2 Å²	60.2	9%	0.088	31%	0.307	C	S	.	.	H	α-helix	trans	-61.8	-43.8	-179.7	-66.9	0	0	0	0	110.8	A503 N506 K557 L558 Q563 K564 D565	A503-C561 HydrophobicContact CB-CB 4.04Å; A503-C561 WeakPolarHBondContact O-CB 3.46Å; N506-C561 HydrophobicContact CB-CB 4.43Å; K557-C561 PolarHBondContact O-N 3.36Å; K557-C561 PolarHBondContact O-SG 3.49Å; L558-C561 PolarHBondContact O-N 2.95Å; C561-Q563 PolarHBondContact O-N 3.21Å; C561-K564 WeakPolarHBondContact O-CB 3.43Å; C561-K564 PolarHBondContact O-N 2.89Å; C561-K564 VanDerWaalsContact O-N 3.13Å; C561-D565 PolarHBondContact O-N 3.08Å
562	L	96.2	Very high	93.7	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-67.6	-36.8	178.8	-172.9	60.2	0	0	0	112.7	V495 L499 F500 A503 Y538 L558 D559 I560 K564 D565 S566 Y569 M581	V495-L562 HydrophobicContact CG1-CD1 4.07Å; L499-L562 HydrophobicContact CG-CD1 4.28Å; F500-L562 HydrophobicContact CD2-CD2 4.08Å; F500-L562 HydrophobicContact CE2-CD2 4.33Å; A503-L562 HydrophobicContact CB-CB 4.01Å; A503-L562 HydrophobicContact CB-CD1 4.08Å; Y538-L562 HydrophobicContact CD2-CD2 4.19Å; Y538-L562 HydrophobicContact CE2-CD2 3.85Å; L558-L562 PolarHBondContact O-N 3.3Å; D559-L562 PolarHBondContact O-N 3.18Å; I560-L562 VanDerWaalsContact C-N 3.33Å; I560-L562 PolarHBondContact O-N 3.41Å; L562-K564 VanDerWaalsContact C-N 3.27Å; L562-K564 PolarHBondContact O-N 3.24Å; L562-D565 PolarHBondContact O-N 3.25Å; L562-S566 WeakPolarHBondContact O-CB 3.41Å; L562-S566 PolarHBondContact O-N 2.84Å; L562-Y569 HydrophobicContact CB-CD1 4.25Å; L562-Y569 HydrophobicContact CB-CE1 4.18Å; L562-Y569 HydrophobicContact CD2-CD1 3.96Å; L562-Y569 HydrophobicContact CD2-CD2 4.1Å; L562-Y569 HydrophobicContact CD2-CE1 3.82Å; L562-Y569 HydrophobicContact CD2-CE2 3.97Å; L562-Y569 HydrophobicContact CD2-CG 4.11Å; L562-Y569 HydrophobicContact CG-CD1 3.78Å; L562-Y569 HydrophobicContact CG-CE1 3.99Å; L562-Y569 HydrophobicContact CG-CG 4.11Å; L562-M581 HydrophobicContact CB-CE 4.21Å; L562-M581 HydrophobicContact CD2-CE 3.7Å
563	Q	95.6	Very high	93.8	Very high	29 Å²	29	52.4 Å²	52.4	14%	0.136	26%	0.263	C	S	.	.	H	α-helix	trans	-64.3	-31.8	172.3	-72.3	-176.5	58.4	0	0	112.4	D559 I560 C561 Y569 K570 R573	D559-Q563 WeakPolarHBondContact O-CB 3.36Å; D559-Q563 VanDerWaalsContact O-CG 3.26Å; D559-Q563 WeakPolarHBondContact O-CG 3.48Å; D559-Q563 PolarHBondContact O-N 3.42Å; D559-Q563 PolarHBondContact OD2-NE2 3.04Å; I560-Q563 PolarHBondContact O-N 3.12Å; C561-Q563 PolarHBondContact O-N 3.21Å; Q563-Y569 HydrophobicContact CG-CD1 3.81Å; Q563-Y569 HydrophobicContact CG-CE1 3.87Å; Q563-K570 HydrophobicContact CB-CB 4.03Å; Q563-K570 HydrophobicContact CB-CG 4.13Å; Q563-K570 HydrophobicContact CG-CB 4.31Å; Q563-K570 HydrophobicContact CG-CG 4.49Å; Q563-K570 WeakPolarHBondContact O-CB 3.39Å; Q563-K570 WeakPolarHBondContact O-CD 3.48Å; Q563-R573 HydrophobicContact CG-CB 4.35Å; Q563-R573 HydrophobicContact CG-CG 4.19Å
564	K	95.3	Very high	93.8	Very high	175 Å²	175	52.3 Å²	52.3	76%	0.761	27%	0.265	S	S	*	.	H	α-helix	trans	-69	-40.3	174.7	-172.5	-175.5	175.4	-173.5	0	111.2	I560 C561 L562	I560-K564 PolarHBondContact O-N 3.41Å; C561-K564 WeakPolarHBondContact O-CB 3.43Å; C561-K564 PolarHBondContact O-N 2.89Å; C561-K564 VanDerWaalsContact O-N 3.13Å; L562-K564 VanDerWaalsContact C-N 3.27Å; L562-K564 PolarHBondContact O-N 3.24Å
565	D	92	Very high	93.8	Very high	63 Å²	63	57.6 Å²	57.6	34%	0.337	29%	0.287	S	S	.	.	H	α-helix	trans	-88	-20.2	-172.6	-60.9	-16.9	0	0	0	112.6	L499 C561 L562	L499-D565 HydrophobicContact CD1-CB 3.83Å; C561-D565 PolarHBondContact O-N 3.08Å; L562-D565 PolarHBondContact O-N 3.25Å
566	S	93.8	Very high	93.5	Very high	11 Å²	11	57.7 Å²	57.7	8%	0.077	30%	0.3	C	S	.	.			trans	-126.8	107.3	178.2	-179.5	0	0	0	0	112.9	L562 V568 Y569 K570	L562-S566 WeakPolarHBondContact O-CB 3.41Å; L562-S566 PolarHBondContact O-N 2.84Å; S566-V568 VanDerWaalsContact C-N 3.28Å; S566-V568 PolarHBondContact O-N 2.87Å; S566-Y569 PolarHBondContact O-N 3.36Å; S566-Y569 WeakPolarHBondContact OG-CB 3.4Å; S566-Y569 PolarHBondContact OG-N 2.96Å; S566-K570 WeakPolarHBondContact O-CB 3.38Å; S566-K570 PolarHBondContact O-N 2.95Å
567	A	90.1	Very high	93.2	Very high	84 Å²	84	54.7 Å²	54.7	69%	0.694	29%	0.294	S	S	*	.	H	α-helix	trans	-62.5	-35	176.5	0	0	0	0	0	112.7	S571	A567-S571 WeakPolarHBondContact O-CB 3.48Å; A567-S571 PolarHBondContact O-N 3.28Å
568	V	90.9	Very high	93	Very high	73 Å²	73	52.8 Å²	52.8	44%	0.442	29%	0.286	S	S	.	.	H	α-helix	trans	-69.4	-49.1	178.8	-175.9	0	0	0	0	110.5	E493 S566 K570 S571 F572	E493-V568 HydrophobicContact CB-CG1 3.89Å; S566-V568 VanDerWaalsContact C-N 3.28Å; S566-V568 PolarHBondContact O-N 2.87Å; V568-K570 VanDerWaalsContact C-N 3.33Å; V568-K570 PolarHBondContact O-N 2.92Å; V568-S571 WeakPolarHBondContact O-CB 3.45Å; V568-S571 PolarHBondContact O-N 2.77Å; V568-F572 HydrophobicContact CG1-CE2 4.3Å; V568-F572 HydrophobicContact CG1-CZ 4.29Å; V568-F572 PolarHBondContact O-N 2.81Å
569	Y	93.4	Very high	92.8	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-58.2	-46.3	175.2	-177.9	-98.8	0	0	0	110.9	E493 V495 Y538 D559 L562 Q563 S566 S571 F572 R573 I578 M581	E493-Y569 HydrophobicContact CG-CD2 4.36Å; V495-Y569 HydrophobicContact CG2-CD2 4.39Å; Y538-Y569 AromaticContact CD2-CE2 3.92Å; Y538-Y569 HydrophobicContact CD2-CE2 3.92Å; Y538-Y569 AromaticContact CE2-CD2 3.88Å; Y538-Y569 HydrophobicContact CE2-CD2 3.88Å; Y538-Y569 AromaticContact CE2-CE2 3.41Å; Y538-Y569 HydrophobicContact CE2-CE2 3.41Å; Y538-Y569 VanDerWaalsContact CE2-CE2 3.41Å; Y538-Y569 AromaticContact CZ-CE2 3.86Å; D559-Y569 PolarHBondContact OD1-OH 3.25Å; L562-Y569 HydrophobicContact CB-CD1 4.25Å; L562-Y569 HydrophobicContact CB-CE1 4.18Å; L562-Y569 HydrophobicContact CD2-CD1 3.96Å; L562-Y569 HydrophobicContact CD2-CD2 4.1Å; L562-Y569 HydrophobicContact CD2-CE1 3.82Å; L562-Y569 HydrophobicContact CD2-CE2 3.97Å; L562-Y569 HydrophobicContact CD2-CG 4.11Å; L562-Y569 HydrophobicContact CG-CD1 3.78Å; L562-Y569 HydrophobicContact CG-CE1 3.99Å; L562-Y569 HydrophobicContact CG-CG 4.11Å; Q563-Y569 HydrophobicContact CG-CD1 3.81Å; Q563-Y569 HydrophobicContact CG-CE1 3.87Å; S566-Y569 PolarHBondContact O-N 3.36Å; S566-Y569 WeakPolarHBondContact OG-CB 3.4Å; S566-Y569 PolarHBondContact OG-N 2.96Å; Y569-S571 PolarHBondContact O-N 2.89Å; Y569-F572 PolarHBondContact O-N 2.87Å; Y569-R573 HydrophobicContact CD1-CG 3.76Å; Y569-R573 HydrophobicContact CE1-CG 3.39Å; Y569-R573 HydrophobicContact CE2-CG 4.21Å; Y569-R573 HydrophobicContact CG-CG 4.32Å; Y569-R573 WeakPolarHBondContact O-CB 3.29Å; Y569-R573 WeakPolarHBondContact O-CG 3.44Å; Y569-R573 PolarHBondContact O-N 2.85Å; Y569-I578 HydrophobicContact CD2-CD1 4.3Å; Y569-I578 HydrophobicContact CE2-CD1 4.48Å; Y569-I578 HydrophobicContact CE2-CG2 3.98Å; Y569-M581 HydrophobicContact CE1-CE 4.37Å; Y569-M581 WeakPolarHBondContact OH-CE 3.41Å
570	K	94.6	Very high	92.6	Very high	98 Å²	98	55.8 Å²	55.8	43%	0.426	31%	0.308	S	S	.	.	H	α-helix	trans	-56.1	-46.6	175.3	-175.9	178.4	-179.2	177.9	0	112.6	Q563 S566 V568 F572 R573 I574	Q563-K570 HydrophobicContact CB-CB 4.03Å; Q563-K570 HydrophobicContact CB-CG 4.13Å; Q563-K570 HydrophobicContact CG-CB 4.31Å; Q563-K570 HydrophobicContact CG-CG 4.49Å; Q563-K570 WeakPolarHBondContact O-CB 3.39Å; Q563-K570 WeakPolarHBondContact O-CD 3.48Å; S566-K570 WeakPolarHBondContact O-CB 3.38Å; S566-K570 PolarHBondContact O-N 2.95Å; V568-K570 VanDerWaalsContact C-N 3.33Å; V568-K570 PolarHBondContact O-N 2.92Å; K570-F572 VanDerWaalsContact C-N 3.32Å; K570-F572 PolarHBondContact O-N 2.84Å; K570-R573 PolarHBondContact O-N 3.04Å; K570-I574 HydrophobicContact CG-CD1 3.82Å; K570-I574 HydrophobicContact CG-CG1 4.49Å; K570-I574 VanDerWaalsContact O-CG1 3.29Å; K570-I574 WeakPolarHBondContact O-CG1 3.45Å; K570-I574 PolarHBondContact O-N 3.23Å
571	S	93.2	Very high	92.5	Very high	43 Å²	43	52.2 Å²	52.2	30%	0.301	29%	0.29	S	S	.	.	H	α-helix	trans	-58.6	-45.2	177.5	-168.1	0	0	0	0	111.4	A567 V568 Y569 I574 K575	A567-S571 WeakPolarHBondContact O-CB 3.48Å; A567-S571 PolarHBondContact O-N 3.28Å; V568-S571 WeakPolarHBondContact O-CB 3.45Å; V568-S571 PolarHBondContact O-N 2.77Å; Y569-S571 PolarHBondContact O-N 2.89Å; S571-I574 PolarHBondContact O-N 2.99Å; S571-K575 WeakPolarHBondContact O-CB 3.39Å; S571-K575 VanDerWaalsContact O-CG 3.25Å; S571-K575 WeakPolarHBondContact O-CG 3.34Å; S571-K575 PolarHBondContact O-N 3.47Å; S571-K575 PolarHBondContact OG-NZ 3.07Å
572	F	92.2	Very high	92.3	Very high	48 Å²	48	55.4 Å²	55.4	21%	0.211	30%	0.3	C	S	.	.	H	α-helix	trans	-71.6	-33.9	-179.2	-72.4	1.9	0	0	0	113.2	R491 E493 V568 Y569 K570 G576 S577 I578	R491-F572 HydrophobicContact CB-CD2 3.86Å; R491-F572 HydrophobicContact CB-CE2 3.93Å; E493-F572 HydrophobicContact CB-CD2 3.82Å; E493-F572 HydrophobicContact CB-CE2 3.96Å; V568-F572 HydrophobicContact CG1-CE2 4.3Å; V568-F572 HydrophobicContact CG1-CZ 4.29Å; V568-F572 PolarHBondContact O-N 2.81Å; Y569-F572 PolarHBondContact O-N 2.87Å; K570-F572 VanDerWaalsContact C-N 3.32Å; K570-F572 PolarHBondContact O-N 2.84Å; F572-G576 PolarHBondContact O-N 2.86Å; F572-S577 PolarHBondContact O-N 3.45Å; F572-I578 HydrophobicContact CB-CB 4.33Å; F572-I578 HydrophobicContact CB-CD1 3.73Å; F572-I578 HydrophobicContact CB-CG1 3.86Å; F572-I578 HydrophobicContact CD2-CD1 3.79Å; F572-I578 HydrophobicContact CD2-CG1 4.35Å; F572-I578 HydrophobicContact CG-CD1 4.29Å; F572-I578 PolarHBondContact O-N 2.91Å
573	R	93.1	Very high	92.3	Very high	39 Å²	39	55.7 Å²	55.7	15%	0.147	30%	0.302	C	S	.	.	H	α-helix	trans	-64.1	-46	171.6	-73.5	-66.6	-64.8	105.1	8.2	112.1	D559 Q563 Y569 K570 K575 G576 I578 G579	D559-R573 IonicContact OD1-NE 3.35Å; D559-R573 PolarHBondContact OD1-NE 3.17Å; D559-R573 IonicContact OD2-CZ 2.95Å; D559-R573 IonicContact OD2-NE 3.77Å; D559-R573 PolarHBondContact OD2-NE 3.27Å; D559-R573 IonicContact OD2-NH2 2.84Å; D559-R573 PolarHBondContact OD2-NH2 3.44Å; D559-R573 VanDerWaalsContact OD2-NH2 3.09Å; Q563-R573 HydrophobicContact CG-CB 4.35Å; Q563-R573 HydrophobicContact CG-CG 4.19Å; Y569-R573 HydrophobicContact CD1-CG 3.76Å; Y569-R573 HydrophobicContact CE1-CG 3.39Å; Y569-R573 HydrophobicContact CE2-CG 4.21Å; Y569-R573 HydrophobicContact CG-CG 4.32Å; Y569-R573 WeakPolarHBondContact O-CB 3.29Å; Y569-R573 WeakPolarHBondContact O-CG 3.44Å; Y569-R573 PolarHBondContact O-N 2.85Å; K570-R573 PolarHBondContact O-N 3.04Å; R573-K575 VanDerWaalsContact C-N 3.34Å; R573-K575 PolarHBondContact O-N 3.3Å; R573-G576 PolarHBondContact O-N 3.26Å; R573-I578 WeakPolarHBondContact CD-O 3.27Å; R573-I578 PolarHBondContact NH1-O 3.45Å; R573-G579 WeakPolarHBondContact CD-O 3.42Å; R573-G579 PolarHBondContact NE-O 3Å
574	I	92.1	Very high	92.2	Very high	123 Å²	123	56.2 Å²	56.2	63%	0.631	30%	0.304	S	S	*	.	H	α-helix	trans	-64.2	-39.5	178.3	-69.6	169.3	0	0	0	111.3	K570 S571 G576	K570-I574 HydrophobicContact CG-CD1 3.82Å; K570-I574 HydrophobicContact CG-CG1 4.49Å; K570-I574 VanDerWaalsContact O-CG1 3.29Å; K570-I574 WeakPolarHBondContact O-CG1 3.45Å; K570-I574 PolarHBondContact O-N 3.23Å; S571-I574 PolarHBondContact O-N 2.99Å; I574-G576 PolarHBondContact O-N 3.26Å
575	K	91.3	Very high	92.3	Very high	142 Å²	142	48 Å²	48	62%	0.617	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-4.1	178	-70.7	171.4	-179.7	172.9	0	113.8	S571 R573 S577	S571-K575 WeakPolarHBondContact O-CB 3.39Å; S571-K575 VanDerWaalsContact O-CG 3.25Å; S571-K575 WeakPolarHBondContact O-CG 3.34Å; S571-K575 PolarHBondContact O-N 3.47Å; S571-K575 PolarHBondContact OG-NZ 3.07Å; R573-K575 VanDerWaalsContact C-N 3.34Å; R573-K575 PolarHBondContact O-N 3.3Å; K575-S577 PolarHBondContact O-N 3.41Å
576	G	88	Confident	92.6	Very high	38 Å²	38	45.2 Å²	45.2	39%	0.392	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.2	9.4	-174.6	0	0	0	0	0	114.3	F572 R573 I574 I578	F572-G576 PolarHBondContact O-N 2.86Å; R573-G576 PolarHBondContact O-N 3.26Å; I574-G576 PolarHBondContact O-N 3.26Å; G576-I578 VanDerWaalsContact C-N 3.26Å; G576-I578 PolarHBondContact O-N 3.17Å
577	S	87.4	Confident	92.6	Very high	44 Å²	44	46.1 Å²	46.1	31%	0.308	26%	0.261	S	S	.	.	S	Bend	trans	-71.7	-26.7	177.7	-54.4	0	0	0	0	112.1	R491 F572 K575	R491-S577 VanDerWaalsContact CG-O 3.31Å; R491-S577 WeakPolarHBondContact CG-O 3.42Å; R491-S577 PolarHBondContact NE-O 3.42Å; F572-S577 PolarHBondContact O-N 3.45Å; K575-S577 PolarHBondContact O-N 3.41Å
578	I	91.2	Very high	92.8	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.268	C	S	.	.	S	Bend	trans	-120.4	128.8	171.5	-63.8	-178.5	0	0	0	108.4	V490 R491 E493 P536 Y569 F572 R573 G576	V490-I578 HydrophobicContact CG2-CB 4.42Å; V490-I578 HydrophobicContact CG2-CD1 3.49Å; V490-I578 VanDerWaalsContact CG2-CD1 3.49Å; V490-I578 HydrophobicContact CG2-CG1 3.55Å; V490-I578 HydrophobicContact CG2-CG2 4.1Å; R491-I578 HydrophobicContact CB-CD1 4.23Å; R491-I578 HydrophobicContact CB-CG1 4.08Å; R491-I578 HydrophobicContact CG-CD1 4.43Å; R491-I578 HydrophobicContact CG-CG1 3.77Å; E493-I578 HydrophobicContact CB-CD1 4.37Å; E493-I578 HydrophobicContact CG-CD1 3.89Å; E493-I578 WeakPolarHBondContact OE2-CD1 3.28Å; P536-I578 CarbonylContact O-C 3.59Å; P536-I578 VanDerWaalsContact O-CA 3.27Å; P536-I578 WeakPolarHBondContact O-CA 3.13Å; Y569-I578 HydrophobicContact CD2-CD1 4.3Å; Y569-I578 HydrophobicContact CE2-CD1 4.48Å; Y569-I578 HydrophobicContact CE2-CG2 3.98Å; F572-I578 HydrophobicContact CB-CB 4.33Å; F572-I578 HydrophobicContact CB-CD1 3.73Å; F572-I578 HydrophobicContact CB-CG1 3.86Å; F572-I578 HydrophobicContact CD2-CD1 3.79Å; F572-I578 HydrophobicContact CD2-CG1 4.35Å; F572-I578 HydrophobicContact CG-CD1 4.29Å; F572-I578 PolarHBondContact O-N 2.91Å; R573-I578 WeakPolarHBondContact CD-O 3.27Å; R573-I578 PolarHBondContact NH1-O 3.45Å; G576-I578 VanDerWaalsContact C-N 3.26Å; G576-I578 PolarHBondContact O-N 3.17Å
579	G	91.1	Very high	92.8	Very high	10 Å²	10	48.3 Å²	48.3	10%	0.103	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-74.2	168.9	174.4	0	0	0	0	0	112.9	P536 R573 M581	P536-G579 PolarHBondContact O-N 3.49Å; R573-G579 WeakPolarHBondContact CD-O 3.42Å; R573-G579 PolarHBondContact NE-O 3Å; G579-M581 PolarHBondContact O-N 3.26Å
580	S	90.4	Very high	92.9	Very high	53 Å²	53	48.3 Å²	48.3	37%	0.371	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-60.5	136.2	173.5	-172.8	0	0	0	0	110.1
581	M	93.1	Very high	92.9	Very high	11 Å²	11	43.7 Å²	43.7	5%	0.054	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-61.7	148.7	173.3	65.8	176.8	67.9	0	0	111.5	Y538 V540 L558 D559 L562 Y569 G579 V583	Y538-M581 HydrophobicContact CD2-CE 4.42Å; Y538-M581 CarbonylContact O-C 3.48Å; Y538-M581 VanDerWaalsContact O-CA 3.27Å; Y538-M581 WeakPolarHBondContact O-CA 3.22Å; Y538-M581 WeakPolarHBondContact O-CB 3.36Å; V540-M581 HydrophobicContact CG2-CB 4.36Å; V540-M581 HydrophobicContact CG2-SD 4.17Å; L558-M581 HydrophobicContact CB-SD 3.82Å; L558-M581 HydrophobicContact CD2-SD 3.59Å; L558-M581 VanDerWaalsContact CD2-SD 3.59Å; L558-M581 HydrophobicContact CG-CE 4.25Å; L558-M581 HydrophobicContact CG-SD 3.4Å; L558-M581 WeakPolarHBondContact CG-SD 3.31Å; D559-M581 HydrophobicContact CB-CE 4.18Å; D559-M581 HydrophobicContact CB-CG 4.01Å; D559-M581 HydrophobicContact CB-SD 4.34Å; L562-M581 HydrophobicContact CB-CE 4.21Å; L562-M581 HydrophobicContact CD2-CE 3.7Å; Y569-M581 HydrophobicContact CE1-CE 4.37Å; Y569-M581 WeakPolarHBondContact OH-CE 3.41Å; G579-M581 PolarHBondContact O-N 3.26Å; M581-V583 HydrophobicContact CG-CG2 4.19Å; M581-V583 HydrophobicContact SD-CG2 4.17Å
582	R	92.9	Very high	92.7	Very high	80 Å²	80	45.5 Å²	45.5	30%	0.302	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	106.2	176.7	-64.8	-174.4	-172.3	-173.9	5.4	108.8	I531 S534 H537 Y538 Q539 V540	I531-R582 PolarHBondContact O-NH1 3.07Å; I531-R582 VanDerWaalsContact O-NH1 3.07Å; I531-R582 PolarHBondContact O-NH2 3.39Å; S534-R582 VanDerWaalsContact CB-NH2 3.32Å; S534-R582 PolarHBondContact OG-NH2 3.37Å; H537-R582 VanDerWaalsContact NE2-CD 3.31Å; H537-R582 WeakPolarHBondContact NE2-CD 3.43Å; H537-R582 PolarHBondContact NE2-NE 3.22Å; Y538-R582 PolarHBondContact O-N 2.91Å; Q539-R582 PolarHBondContact NE2-O 3.29Å; V540-R582 PolarHBondContact N-O 3.18Å
583	V	95.8	Very high	92.7	Very high	6 Å²	6	46.2 Å²	46.2	4%	0.036	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	125.1	178.3	-174.6	0	0	0	0	109.1	V540 I542 L550 R555 L558 M581	V540-V583 HydrophobicContact CB-CG2 4.35Å; V540-V583 CarbonylContact O-C 3.49Å; I542-V583 HydrophobicContact CD1-CG1 3.39Å; I542-V583 HydrophobicContact CG1-CG1 3.91Å; L550-V583 HydrophobicContact CD1-CG1 4.49Å; R555-V583 HydrophobicContact CB-CB 4.11Å; R555-V583 HydrophobicContact CB-CG2 4.41Å; R555-V583 HydrophobicContact CG-CB 4.12Å; R555-V583 PolarHBondContact NH1-O 3.49Å; L558-V583 HydrophobicContact CB-CG2 4.3Å; L558-V583 HydrophobicContact CD2-CG2 3.88Å; M581-V583 HydrophobicContact CG-CG2 4.19Å; M581-V583 HydrophobicContact SD-CG2 4.17Å
584	Q	95.3	Very high	92.7	Very high	39 Å²	39	44.3 Å²	44.3	18%	0.182	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	123.4	-179.4	-57.1	-68.6	-3.8	0	0	109.3	V540 F541 I542 L625 T628	V540-Q584 PolarHBondContact O-N 2.9Å; F541-Q584 WeakPolarHBondContact CA-O 3.48Å; F541-Q584 HydrophobicContact CD1-CB 3.91Å; F541-Q584 HydrophobicContact CD1-CG 4.27Å; F541-Q584 HydrophobicContact CE1-CB 4.37Å; F541-Q584 HydrophobicContact CE1-CG 4.26Å; I542-Q584 WeakPolarHBondContact CG1-O 3.14Å; I542-Q584 PolarHBondContact N-O 3.27Å; Q584-L625 HydrophobicContact CG-CD2 4.41Å; Q584-T628 HydrophobicContact CB-CG2 4.12Å
585	L	96.6	Very high	92.6	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.016	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	119.1	169.9	-179.9	64.3	0	0	0	107.9	I542 L544 L550 T628 V629 S630	I542-L585 WeakPolarHBondContact O-CA 3.41Å; L544-L585 HydrophobicContact CB-CD1 3.9Å; L544-L585 HydrophobicContact CD1-CD1 3.98Å; L544-L585 HydrophobicContact CG-CD1 3.85Å; L550-L585 HydrophobicContact CD1-CB 4.42Å; L585-T628 CarbonylContact O-C 3.56Å; L585-T628 WeakPolarHBondContact O-CA 3.45Å; L585-V629 HydrophobicContact CB-CG2 4.38Å; L585-V629 HydrophobicContact CD2-CG2 4.09Å; L585-V629 HydrophobicContact CG-CG2 3.85Å; L585-V629 WeakPolarHBondContact O-CG2 3.46Å; L585-V629 PolarHBondContact O-N 2.95Å; L585-S630 WeakPolarHBondContact CB-O 3.42Å; L585-S630 PolarHBondContact N-O 3.2Å; L585-S630 PolarHBondContact O-N 2.95Å
586	V	97.3	Very high	92.4	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.024	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-96.1	156.4	177.4	-59.5	0	0	0	0	111.4	F541 I542 E543 A590 F591 L624 K627	F541-V586 HydrophobicContact CB-CG1 4.16Å; F541-V586 HydrophobicContact CD1-CG1 4.1Å; I542-V586 WeakPolarHBondContact O-CG2 2.99Å; I542-V586 PolarHBondContact O-N 3.43Å; E543-V586 HydrophobicContact CB-CG2 3.89Å; V586-A590 HydrophobicContact CB-CB 3.83Å; V586-A590 HydrophobicContact CG2-CB 3.66Å; V586-F591 HydrophobicContact CG2-CD2 4.07Å; V586-F591 HydrophobicContact CG2-CE2 3.64Å; V586-L624 HydrophobicContact CG1-CB 4.45Å; V586-K627 CarbonylContact C-O 3.57Å; V586-K627 WeakPolarHBondContact CA-O 3Å; V586-K627 HydrophobicContact CB-CB 4.4Å
587	S	95.3	Very high	92.4	Very high	31 Å²	31	41.9 Å²	41.9	22%	0.217	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-60.1	151	177.6	60.4	0	0	0	0	112.4	G589 A590 K627	S587-G589 PolarHBondContact O-N 2.98Å; S587-A590 WeakPolarHBondContact O-CB 3.33Å; S587-A590 PolarHBondContact O-N 3.13Å; S587-K627 PolarHBondContact N-O 3.08Å
588	E	93.7	Very high	92.4	Very high	182 Å²	182	39.9 Å²	39.9	85%	0.85	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.8	132.5	171.6	-175.9	174.9	-178.9	0	0	111.5	A590	E588-A590 VanDerWaalsContact C-N 3.3Å; E588-A590 PolarHBondContact O-N 3Å
589	G	91.9	Very high	92	Very high	20 Å²	20	41.3 Å²	41.3	21%	0.206	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	2.3	-177.9	0	0	0	0	0	115.3	E543 S587 F591 K592 E593	E543-G589 PolarHBondContact OE1-N 3.39Å; S587-G589 PolarHBondContact O-N 2.98Å; G589-F591 VanDerWaalsContact C-N 3.3Å; G589-F591 PolarHBondContact O-N 2.89Å; G589-K592 WeakPolarHBondContact O-CB 3.38Å; G589-K592 PolarHBondContact O-N 2.92Å; G589-K592 VanDerWaalsContact O-N 3.17Å; G589-E593 PolarHBondContact O-N 2.74Å
590	A	95.5	Very high	91.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-58.2	-41	178.8	0	0	0	0	0	112.2	E543 V586 S587 E588 E593 L594 L624 K627	E543-A590 PolarHBondContact OE2-N 3.03Å; V586-A590 HydrophobicContact CB-CB 3.83Å; V586-A590 HydrophobicContact CG2-CB 3.66Å; S587-A590 WeakPolarHBondContact O-CB 3.33Å; S587-A590 PolarHBondContact O-N 3.13Å; E588-A590 VanDerWaalsContact C-N 3.3Å; E588-A590 PolarHBondContact O-N 3Å; A590-E593 PolarHBondContact O-N 3.1Å; A590-L594 PolarHBondContact O-N 2.71Å; A590-L624 HydrophobicContact CB-CD2 4.28Å; A590-K627 HydrophobicContact CB-CB 3.97Å; A590-K627 HydrophobicContact CB-CG 4.27Å
591	F	94.3	Very high	90.5	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.009	24%	0.238	C	C	.	.	H	α-helix	trans	-72.3	-33.5	177.6	-76.2	-82.4	0	0	0	112.9	D518 S520 F541 E543 V586 G589 E593 L594 Q595 M611 L624	D518-F591 HydrophobicContact CB-CB 3.94Å; D518-F591 HydrophobicContact CB-CD1 4.31Å; D518-F591 HydrophobicContact CB-CD2 3.63Å; D518-F591 HydrophobicContact CB-CE2 4.18Å; D518-F591 HydrophobicContact CB-CG 3.69Å; S520-F591 WeakPolarHBondContact OG-CE1 3.28Å; F541-F591 HydrophobicContact CB-CZ 4.05Å; E543-F591 HydrophobicContact CB-CD2 3.59Å; E543-F591 HydrophobicContact CB-CE2 3.78Å; E543-F591 WeakPolarHBondContact OE2-CD2 3.39Å; E543-F591 PolarHBondContact OE2-N 3.37Å; V586-F591 HydrophobicContact CG2-CD2 4.07Å; V586-F591 HydrophobicContact CG2-CE2 3.64Å; G589-F591 VanDerWaalsContact C-N 3.3Å; G589-F591 PolarHBondContact O-N 2.89Å; F591-E593 VanDerWaalsContact C-N 3.29Å; F591-E593 PolarHBondContact O-N 3.27Å; F591-L594 HydrophobicContact CD1-CD2 4.31Å; F591-L594 PolarHBondContact O-N 3.32Å; F591-Q595 WeakPolarHBondContact O-CB 3.45Å; F591-Q595 PolarHBondContact O-N 2.8Å; F591-M611 HydrophobicContact CB-CE 4.13Å; F591-M611 HydrophobicContact CD1-CE 4.23Å; F591-M611 HydrophobicContact CD1-CG 4.43Å; F591-M611 HydrophobicContact CD1-SD 4.13Å; F591-M611 WeakPolarHBondContact O-CE 3.43Å; F591-L624 HydrophobicContact CE1-CD1 3.79Å; F591-L624 HydrophobicContact CE1-CD2 4.4Å; F591-L624 HydrophobicContact CZ-CD1 3.98Å; F591-L624 HydrophobicContact CZ-CD2 4.48Å
592	K	89.1	Confident	89.5	Confident	80 Å²	80	51 Å²	51	35%	0.348	25%	0.246	S	C	.	.	H	α-helix	trans	-63.5	-36.1	172	-170.4	178.9	-175.9	179.7	0	111.1	E297 G589 R596	E297-K592 IonicContact OE1-NZ 2.63Å; E297-K592 PolarHBondContact OE1-NZ 2.92Å; E297-K592 IonicContact OE2-NZ 3.31Å; E297-K592 PolarHBondContact OE2-NZ 3.27Å; G589-K592 WeakPolarHBondContact O-CB 3.38Å; G589-K592 PolarHBondContact O-N 2.92Å; G589-K592 VanDerWaalsContact O-N 3.17Å; K592-R596 WeakPolarHBondContact O-CG 3.35Å; K592-R596 PolarHBondContact O-N 3.42Å; K592-R596 PolarHBondContact O-NE 2.9Å
593	E	92.4	Very high	88.3	Confident	63 Å²	63	49.5 Å²	49.5	29%	0.294	25%	0.248	S	C	.	.	H	α-helix	trans	-70.9	-43.3	171.7	-75.3	-177.9	-151.2	0	0	112.8	G589 A590 F591 Q595 R596 K597 F623 K627	G589-E593 PolarHBondContact O-N 2.74Å; A590-E593 PolarHBondContact O-N 3.1Å; F591-E593 VanDerWaalsContact C-N 3.29Å; F591-E593 PolarHBondContact O-N 3.27Å; E593-Q595 VanDerWaalsContact C-N 3.32Å; E593-Q595 PolarHBondContact O-N 3.43Å; E593-R596 PolarHBondContact O-N 2.97Å; E593-K597 PolarHBondContact O-N 2.92Å; E593-F623 HydrophobicContact CB-CE1 4.15Å; E593-F623 HydrophobicContact CB-CZ 3.68Å; E593-K627 IonicContact OE1-NZ 2.72Å; E593-K627 WeakPolarHBondContact OE2-CE 3.12Å; E593-K627 IonicContact OE2-NZ 3.36Å; E593-K627 PolarHBondContact OE2-NZ 3.24Å
594	L	92.8	Very high	87.3	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-60.2	-43.9	176.9	179	62.2	0	0	0	111.1	A590 F591 R596 K597 M598 M611 L615 Y620 F623 L624	A590-L594 PolarHBondContact O-N 2.71Å; F591-L594 HydrophobicContact CD1-CD2 4.31Å; F591-L594 PolarHBondContact O-N 3.32Å; L594-R596 PolarHBondContact O-N 3.45Å; L594-K597 CarbonylContact O-C 3.58Å; L594-K597 WeakPolarHBondContact O-CB 3.46Å; L594-K597 PolarHBondContact O-N 3.44Å; L594-K597 VanDerWaalsContact O-N 3.16Å; L594-M598 HydrophobicContact CD1-CE 4.02Å; L594-M598 HydrophobicContact CD1-CG 4.24Å; L594-M598 HydrophobicContact CD2-CE 3.88Å; L594-M598 HydrophobicContact CG-CE 3.88Å; L594-M598 HydrophobicContact CG-CG 4.33Å; L594-M598 HydrophobicContact CG-SD 4.14Å; L594-M598 WeakPolarHBondContact O-CG 3.44Å; L594-M598 PolarHBondContact O-N 3.44Å; L594-M611 HydrophobicContact CD2-SD 4.29Å; L594-L615 HydrophobicContact CD2-CD2 4.45Å; L594-Y620 HydrophobicContact CD1-CD1 4.12Å; L594-Y620 HydrophobicContact CD1-CG 4.22Å; L594-F623 HydrophobicContact CB-CD1 4.02Å; L594-F623 HydrophobicContact CB-CE1 3.86Å; L594-F623 HydrophobicContact CD1-CD1 3.76Å; L594-F623 HydrophobicContact CD1-CE1 4.4Å; L594-F623 HydrophobicContact CD1-CG 4.38Å; L594-F623 HydrophobicContact CG-CD1 4.44Å; L594-L624 HydrophobicContact CB-CD2 4.38Å; L594-L624 HydrophobicContact CD2-CD1 3.82Å; L594-L624 HydrophobicContact CD2-CD2 4.06Å; L594-L624 HydrophobicContact CD2-CG 3.92Å
595	Q	89.9	Confident	86.6	Confident	30 Å²	30	48.6 Å²	48.6	14%	0.14	25%	0.246	C	C	.	.	H	α-helix	trans	-54.2	-51.6	174	172.6	175.5	26	0	0	111.1	F591 E593 K597 M598 M599 F609 M611	F591-Q595 WeakPolarHBondContact O-CB 3.45Å; F591-Q595 PolarHBondContact O-N 2.8Å; E593-Q595 VanDerWaalsContact C-N 3.32Å; E593-Q595 PolarHBondContact O-N 3.43Å; Q595-K597 VanDerWaalsContact C-N 3.28Å; Q595-K597 PolarHBondContact O-N 2.95Å; Q595-M598 PolarHBondContact O-N 2.84Å; Q595-M599 HydrophobicContact CG-CG 4.49Å; Q595-M599 HydrophobicContact CG-SD 3.7Å; Q595-M599 WeakPolarHBondContact O-CB 3.28Å; Q595-M599 WeakPolarHBondContact O-CG 3.42Å; Q595-M599 PolarHBondContact O-N 2.7Å; Q595-F609 HydrophobicContact CB-CE1 4.06Å; Q595-F609 HydrophobicContact CB-CZ 4.16Å; Q595-F609 HydrophobicContact CG-CD1 3.96Å; Q595-F609 HydrophobicContact CG-CE1 3.51Å; Q595-F609 HydrophobicContact CG-CZ 3.87Å; Q595-M611 HydrophobicContact CB-CE 3.84Å
596	R	86.8	Confident	85.9	Confident	155 Å²	155	49 Å²	49	59%	0.585	25%	0.249	S	C	*	.	H	α-helix	trans	-57.9	-42.2	177.7	-75.4	-174.6	-74.4	153.7	-11.7	111.6	K592 E593 L594 M599 A600	K592-R596 WeakPolarHBondContact O-CG 3.35Å; K592-R596 PolarHBondContact O-N 3.42Å; K592-R596 PolarHBondContact O-NE 2.9Å; E593-R596 PolarHBondContact O-N 2.97Å; L594-R596 PolarHBondContact O-N 3.45Å; R596-M599 PolarHBondContact O-N 3.23Å; R596-A600 WeakPolarHBondContact O-CB 3.49Å; R596-A600 PolarHBondContact O-N 3.35Å
597	K	88.5	Confident	85.3	Confident	67 Å²	67	49 Å²	49	29%	0.291	25%	0.249	S	C	.	.	H	α-helix	trans	-62.6	-49.9	176.2	-165.9	-177.4	176.3	79.7	0	111	E593 L594 Q595 M599 A600 Y601 F623	E593-K597 PolarHBondContact O-N 2.92Å; L594-K597 CarbonylContact O-C 3.58Å; L594-K597 WeakPolarHBondContact O-CB 3.46Å; L594-K597 PolarHBondContact O-N 3.44Å; L594-K597 VanDerWaalsContact O-N 3.16Å; Q595-K597 VanDerWaalsContact C-N 3.28Å; Q595-K597 PolarHBondContact O-N 2.95Å; K597-M599 VanDerWaalsContact C-N 3.32Å; K597-M599 PolarHBondContact O-N 3.11Å; K597-A600 PolarHBondContact O-N 2.91Å; K597-Y601 HydrophobicContact CG-CD2 4.01Å; K597-Y601 HydrophobicContact CG-CE2 3.75Å; K597-Y601 WeakPolarHBondContact O-CD2 3.49Å; K597-Y601 PolarHBondContact O-N 3.35Å; K597-F623 HydrophobicContact CD-CB 4.34Å; K597-F623 HydrophobicContact CD-CD2 3.71Å; K597-F623 HydrophobicContact CD-CE2 4.22Å; K597-F623 HydrophobicContact CD-CG 3.98Å
598	M	87.8	Confident	84.7	Confident	2 Å²	2	48.6 Å²	48.6	1%	0.01	25%	0.246	C	C	.	.	H	α-helix	trans	-58.3	-43.4	178.6	-73.4	177.2	165.8	0	0	112	L594 Q595 Y601 T602 F609 M611 H612 L615 Y620	L594-M598 HydrophobicContact CD1-CE 4.02Å; L594-M598 HydrophobicContact CD1-CG 4.24Å; L594-M598 HydrophobicContact CD2-CE 3.88Å; L594-M598 HydrophobicContact CG-CE 3.88Å; L594-M598 HydrophobicContact CG-CG 4.33Å; L594-M598 HydrophobicContact CG-SD 4.14Å; L594-M598 WeakPolarHBondContact O-CG 3.44Å; L594-M598 PolarHBondContact O-N 3.44Å; Q595-M598 PolarHBondContact O-N 2.84Å; M598-Y601 PolarHBondContact O-N 2.74Å; M598-T602 WeakPolarHBondContact O-CB 3.41Å; M598-T602 VanDerWaalsContact O-CG2 3.29Å; M598-T602 WeakPolarHBondContact O-CG2 3.37Å; M598-T602 PolarHBondContact O-N 3.28Å; M598-T602 PolarHBondContact O-OG1 3.31Å; M598-F609 HydrophobicContact CB-CE2 3.86Å; M598-F609 HydrophobicContact CB-CZ 4.33Å; M598-F609 HydrophobicContact SD-CE2 4.11Å; M598-F609 HydrophobicContact SD-CZ 3.93Å; M598-M611 HydrophobicContact SD-SD 4.38Å; M598-H612 HydrophobicContact CE-CB 4.06Å; M598-L615 HydrophobicContact CE-CD2 3.6Å; M598-Y620 HydrophobicContact CE-CD1 4.48Å; M598-Y620 HydrophobicContact CE-CD2 3.41Å; M598-Y620 VanDerWaalsContact CE-CD2 3.41Å; M598-Y620 HydrophobicContact CE-CE2 3.88Å; M598-Y620 HydrophobicContact CE-CG 3.77Å; M598-Y620 HydrophobicContact CG-CD1 4.22Å; M598-Y620 HydrophobicContact CG-CD2 4.22Å; M598-Y620 HydrophobicContact CG-CE1 3.91Å; M598-Y620 HydrophobicContact CG-CE2 3.9Å; M598-Y620 HydrophobicContact CG-CG 4.39Å
599	M	82.4	Confident	84.3	Confident	30 Å²	30	40.5 Å²	40.5	15%	0.148	21%	0.207	C	C	.	.	H	α-helix	trans	-69	-34.2	179.6	-69.7	174.6	58.8	0	0	112.5	E260 Q595 R596 K597 Y601 A606 F609	E260-M599 VanDerWaalsContact OE1-CE 3.27Å; E260-M599 WeakPolarHBondContact OE1-CE 3.11Å; E260-M599 WeakPolarHBondContact OE2-CE 3.41Å; Q595-M599 HydrophobicContact CG-CG 4.49Å; Q595-M599 HydrophobicContact CG-SD 3.7Å; Q595-M599 WeakPolarHBondContact O-CB 3.28Å; Q595-M599 WeakPolarHBondContact O-CG 3.42Å; Q595-M599 PolarHBondContact O-N 2.7Å; R596-M599 PolarHBondContact O-N 3.23Å; K597-M599 VanDerWaalsContact C-N 3.32Å; K597-M599 PolarHBondContact O-N 3.11Å; M599-Y601 VanDerWaalsContact C-N 3.29Å; M599-Y601 PolarHBondContact O-N 2.81Å; M599-A606 HydrophobicContact CE-CB 3.54Å; M599-F609 HydrophobicContact CG-CD2 3.64Å; M599-F609 HydrophobicContact CG-CE2 4.02Å; M599-F609 HydrophobicContact CG-CG 4.12Å; M599-F609 HydrophobicContact SD-CB 4.34Å; M599-F609 HydrophobicContact SD-CD1 4.46Å; M599-F609 HydrophobicContact SD-CD2 4.19Å; M599-F609 HydrophobicContact SD-CG 4.05Å
600	A	80.4	Confident	84	Confident	78 Å²	78	42.3 Å²	42.3	65%	0.645	21%	0.21	S	C	*	.	H	α-helix	trans	-66.2	-28.6	176.8	0	0	0	0	0	113.6	R596 K597	R596-A600 WeakPolarHBondContact O-CB 3.49Å; R596-A600 PolarHBondContact O-N 3.35Å; K597-A600 PolarHBondContact O-N 2.91Å
601	Y	69.5	Low	83.7	Confident	161 Å²	161	42.6 Å²	42.6	63%	0.631	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.2	7.6	-177.3	-62.8	-70.5	0	0	0	114.1	K597 M598 M599	K597-Y601 HydrophobicContact CG-CD2 4.01Å; K597-Y601 HydrophobicContact CG-CE2 3.75Å; K597-Y601 WeakPolarHBondContact O-CD2 3.49Å; K597-Y601 PolarHBondContact O-N 3.35Å; M598-Y601 PolarHBondContact O-N 2.74Å; M599-Y601 VanDerWaalsContact C-N 3.29Å; M599-Y601 PolarHBondContact O-N 2.81Å
602	T	70.7	Confident	83.4	Confident	37 Å²	37	43.6 Å²	43.6	23%	0.227	22%	0.216	C	C	.	.	S	Bend	trans	-125.5	160.1	177.4	59.6	0	0	0	0	110.6	M598 T604	M598-T602 WeakPolarHBondContact O-CB 3.41Å; M598-T602 VanDerWaalsContact O-CG2 3.29Å; M598-T602 WeakPolarHBondContact O-CG2 3.37Å; M598-T602 PolarHBondContact O-N 3.28Å; M598-T602 PolarHBondContact O-OG1 3.31Å; T602-T604 PolarHBondContact O-N 3.01Å
603	S	67.8	Low	83.5	Confident	49 Å²	49	40 Å²	40	34%	0.343	20%	0.2	S	C	.	.			trans	-88.4	15.1	170.9	50.3	0	0	0	0	112.2
604	T	74.9	Confident	83.5	Confident	13 Å²	13	37.2 Å²	37.2	8%	0.08	19%	0.187	C	C	.	.			trans	-75.2	127.6	-178.9	-60.1	0	0	0	0	109.7	S169 T602 F609	S169-T604 PolarHBondContact O-OG1 3.44Å; T602-T604 PolarHBondContact O-N 3.01Å; T604-F609 HydrophobicContact CG2-CB 4.32Å; T604-F609 HydrophobicContact CG2-CD2 4.46Å
605	S	81	Confident	83.4	Confident	14 Å²	14	37.2 Å²	37.2	10%	0.098	19%	0.187	C	C	.	.			trans	-73.3	144.6	174.1	170.9	0	0	0	0	111	N607 T608 F609	S605-N607 PolarHBondContact O-N 3.09Å; S605-N607 VanDerWaalsContact O-N 3.15Å; S605-N607 PolarHBondContact OG-N 3.33Å; S605-N607 PolarHBondContact OG-ND2 3.5Å; S605-T608 PolarHBondContact N-OG1 3.38Å; S605-T608 CarbonylContact O-C 3.57Å; S605-T608 WeakPolarHBondContact O-CA 3.12Å; S605-T608 PolarHBondContact O-N 2.8Å; S605-T608 PolarHBondContact O-OG1 3.45Å; S605-F609 PolarHBondContact O-N 2.87Å
606	A	82.3	Confident	83.3	Confident	11 Å²	11	39.9 Å²	39.9	9%	0.091	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-48.7	-37.8	171.6	0	0	0	0	0	114.3	Y218 E260 M599 T608 F609	Y218-A606 HydrophobicContact CD2-CB 3.6Å; Y218-A606 HydrophobicContact CE2-CB 4.34Å; Y218-A606 HydrophobicContact CG-CB 4.12Å; E260-A606 VanDerWaalsContact CD-CB 3.43Å; E260-A606 HydrophobicContact CG-CB 4.29Å; E260-A606 WeakPolarHBondContact OE1-CB 3.08Å; E260-A606 WeakPolarHBondContact OE2-CB 3.32Å; M599-A606 HydrophobicContact CE-CB 3.54Å; A606-T608 PolarHBondContact O-N 2.95Å; A606-F609 PolarHBondContact O-N 3.35Å
607	N	83.9	Confident	83.4	Confident	3 Å²	3	36.7 Å²	36.7	2%	0.016	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-68.8	-16.9	179	-53.7	-58.8	0	0	0	113.4	Y218 N283 S605	Y218-N607 PolarHBondContact N-OD1 3Å; Y218-N607 PolarHBondContact O-ND2 3.46Å; N283-N607 WeakPolarHBondContact CB-O 3.37Å; N283-N607 PolarHBondContact ND2-O 2.83Å; S605-N607 PolarHBondContact O-N 3.09Å; S605-N607 VanDerWaalsContact O-N 3.15Å; S605-N607 PolarHBondContact OG-N 3.33Å; S605-N607 PolarHBondContact OG-ND2 3.5Å
608	T	82.3	Confident	83.4	Confident	24 Å²	24	36.6 Å²	36.6	15%	0.147	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-112.3	-6.3	-177	54.8	0	0	0	0	112.6	S169 P233 S605 A606	S169-T608 WeakPolarHBondContact CB-O 3.47Å; P233-T608 HydrophobicContact CB-CG2 3.88Å; S605-T608 PolarHBondContact N-OG1 3.38Å; S605-T608 CarbonylContact O-C 3.57Å; S605-T608 WeakPolarHBondContact O-CA 3.12Å; S605-T608 PolarHBondContact O-N 2.8Å; S605-T608 PolarHBondContact O-OG1 3.45Å; A606-T608 PolarHBondContact O-N 2.95Å
609	F	85.8	Confident	83.6	Confident	11 Å²	11	41.3 Å²	41.3	5%	0.048	21%	0.206	C	C	.	.			trans	-67.8	140.7	-176.5	-179.2	-92.4	0	0	0	110.9	Q595 M598 M599 T604 S605 A606 M611	Q595-F609 HydrophobicContact CB-CE1 4.06Å; Q595-F609 HydrophobicContact CB-CZ 4.16Å; Q595-F609 HydrophobicContact CG-CD1 3.96Å; Q595-F609 HydrophobicContact CG-CE1 3.51Å; Q595-F609 HydrophobicContact CG-CZ 3.87Å; M598-F609 HydrophobicContact CB-CE2 3.86Å; M598-F609 HydrophobicContact CB-CZ 4.33Å; M598-F609 HydrophobicContact SD-CE2 4.11Å; M598-F609 HydrophobicContact SD-CZ 3.93Å; M599-F609 HydrophobicContact CG-CD2 3.64Å; M599-F609 HydrophobicContact CG-CE2 4.02Å; M599-F609 HydrophobicContact CG-CG 4.12Å; M599-F609 HydrophobicContact SD-CB 4.34Å; M599-F609 HydrophobicContact SD-CD1 4.46Å; M599-F609 HydrophobicContact SD-CD2 4.19Å; M599-F609 HydrophobicContact SD-CG 4.05Å; T604-F609 HydrophobicContact CG2-CB 4.32Å; T604-F609 HydrophobicContact CG2-CD2 4.46Å; S605-F609 PolarHBondContact O-N 2.87Å; A606-F609 PolarHBondContact O-N 3.35Å; F609-M611 HydrophobicContact CE1-CE 4.34Å; F609-M611 HydrophobicContact CZ-CE 4.49Å; F609-M611 HydrophobicContact CZ-SD 4.49Å
610	K	85.9	Confident	84.1	Confident	58 Å²	58	40.2 Å²	40.2	25%	0.252	20%	0.2	S	C	.	.			trans	-134.7	135.4	173	-62.4	176.8	-177.3	-179	0	106.9	T171 F284 H612	T171-K610 HydrophobicContact CG2-CB 3.87Å; T171-K610 HydrophobicContact CG2-CD 4.15Å; F284-K610 HydrophobicContact CE1-CD 4.41Å; F284-K610 HydrophobicContact CE1-CG 4.44Å; F284-K610 HydrophobicContact CE2-CG 4.19Å; F284-K610 HydrophobicContact CZ-CD 4.25Å; F284-K610 HydrophobicContact CZ-CG 4.17Å; K610-H612 PolarHBondContact O-CD2 3.4Å; K610-H612 VanDerWaalsContact O-CD2 3.26Å; K610-H612 PolarHBondContact O-N 3.03Å
611	M	88.9	Confident	84.7	Confident	6 Å²	6	36.5 Å²	36.5	3%	0.03	17%	0.169	C	C	.	.			trans	-61.7	132	172.6	-172.5	56.6	72	0	0	109.6	F591 L594 Q595 M598 F609 R613	F591-M611 HydrophobicContact CB-CE 4.13Å; F591-M611 HydrophobicContact CD1-CE 4.23Å; F591-M611 HydrophobicContact CD1-CG 4.43Å; F591-M611 HydrophobicContact CD1-SD 4.13Å; F591-M611 WeakPolarHBondContact O-CE 3.43Å; L594-M611 HydrophobicContact CD2-SD 4.29Å; Q595-M611 HydrophobicContact CB-CE 3.84Å; M598-M611 HydrophobicContact SD-SD 4.38Å; F609-M611 HydrophobicContact CE1-CE 4.34Å; F609-M611 HydrophobicContact CZ-CE 4.49Å; F609-M611 HydrophobicContact CZ-SD 4.49Å; M611-R613 PolarHBondContact O-N 2.95Å
612	H	88.9	Confident	85.8	Confident	24 Å²	24	32.8 Å²	32.8	11%	0.111	16%	0.158	C	C	.	.			trans	-78.5	113.7	-178.8	-68	-169.8	0	0	0	109.5	G170 S520 M598 K610 V614 L615	G170-H612 PolarHBondContact O-CE1 2.9Å; S520-H612 WeakPolarHBondContact CB-O 3.4Å; S520-H612 PolarHBondContact OG-O 3.19Å; M598-H612 HydrophobicContact CE-CB 4.06Å; K610-H612 PolarHBondContact O-CD2 3.4Å; K610-H612 VanDerWaalsContact O-CD2 3.26Å; K610-H612 PolarHBondContact O-N 3.03Å; H612-V614 VanDerWaalsContact C-N 3.34Å; H612-L615 HydrophobicContact CB-CD2 4Å
613	R	91	Very high	86.9	Confident	4 Å²	4	33 Å²	33	2%	0.015	16%	0.155	C	C	.	.	S	Bend	trans	-72	-31.2	176.3	-61.1	-49.9	-178.9	-164.3	-12.2	112.6	S368 E497 D518 Y519 S520 C521 M611	S368-R613 PolarHBondContact O-NH2 3.33Å; E497-R613 HydrophobicContact CG-CB 4.23Å; E497-R613 HydrophobicContact CG-CG 3.89Å; E497-R613 WeakPolarHBondContact OE1-CG 3.41Å; E497-R613 IonicContact OE1-NE 3.96Å; D518-R613 IonicContact OD1-CZ 2.7Å; D518-R613 IonicContact OD1-NH1 2.96Å; D518-R613 PolarHBondContact OD1-NH1 3.26Å; D518-R613 IonicContact OD1-NH2 2.74Å; Y519-R613 PolarHBondContact O-NH1 3.38Å; S520-R613 CarbonylContact C-O 3.58Å; C521-R613 PolarHBondContact N-O 3.45Å; M611-R613 PolarHBondContact O-N 2.95Å
614	V	91.7	Very high	88.3	Confident	4 Å²	4	30.6 Å²	30.6	2%	0.024	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	112	170.9	-176.4	0	0	0	0	109.2	Q486 L488 C521 H612 R616	Q486-V614 WeakPolarHBondContact O-CG2 3.42Å; L488-V614 HydrophobicContact CD2-CB 4.45Å; L488-V614 HydrophobicContact CD2-CG1 3.87Å; L488-V614 HydrophobicContact CD2-CG2 3.8Å; L488-V614 HydrophobicContact CG-CG2 3.79Å; C521-V614 CarbonylContact O-C 3.54Å; C521-V614 WeakPolarHBondContact O-CA 3.42Å; H612-V614 VanDerWaalsContact C-N 3.34Å; V614-R616 PolarHBondContact O-N 2.92Å
615	L	91.7	Very high	89.2	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	120.5	175.7	-55.2	-178.9	0	0	0	108.5	C521 A522 I526 F541 L594 M598 H612 A621 L624	C521-L615 PolarHBondContact O-N 3.29Å; A522-L615 HydrophobicContact CB-CB 4.37Å; I526-L615 WeakPolarHBondContact CD1-O 2.76Å; F541-L615 HydrophobicContact CD2-CD1 4.4Å; F541-L615 HydrophobicContact CE2-CD1 4.32Å; L594-L615 HydrophobicContact CD2-CD2 4.45Å; M598-L615 HydrophobicContact CE-CD2 3.6Å; H612-L615 HydrophobicContact CB-CD2 4Å; L615-A621 HydrophobicContact CD1-CB 4.14Å; L615-L624 HydrophobicContact CD1-CD1 3.86Å
616	R	87.8	Confident	89.8	Confident	87 Å²	87	35.1 Å²	35.1	33%	0.328	18%	0.178	S	C	.	.			trans	-101.8	-8.2	176.7	-61.7	-62.8	-172.4	-170	-6.8	113.3	G485 M487 E523 V614	G485-R616 PolarHBondContact O-NH2 3.36Å; G485-R616 VanDerWaalsContact O-NH2 3.15Å; M487-R616 PolarHBondContact O-NH2 2.87Å; E523-R616 IonicContact OE1-CZ 2.69Å; E523-R616 IonicContact OE1-NH1 2.84Å; E523-R616 PolarHBondContact OE1-NH1 2.95Å; E523-R616 IonicContact OE1-NH2 3.12Å; E523-R616 IonicContact OE2-NH1 2.79Å; E523-R616 PolarHBondContact OE2-NH1 3.07Å; V614-R616 PolarHBondContact O-N 2.92Å
617	R	87.6	Confident	90.4	Very high	87 Å²	87	37.2 Å²	37.2	33%	0.328	19%	0.185	S	C	.	.	S	Bend	trans	-109.4	129.1	-179.9	-61.4	-166.1	-172.9	-179.7	-1.4	109.5	E619 Y620 A621	R617-E619 VanDerWaalsContact C-N 3.26Å; R617-E619 PolarHBondContact O-N 3.03Å; R617-Y620 HydrophobicContact CB-CD2 3.74Å; R617-Y620 HydrophobicContact CB-CE2 4Å; R617-Y620 HydrophobicContact CB-CG 4.22Å; R617-Y620 HydrophobicContact CG-CD2 4.22Å; R617-Y620 HydrophobicContact CG-CE2 4.04Å; R617-Y620 PolarHBondContact NH1-OH 2.9Å; R617-Y620 PolarHBondContact O-N 3.06Å; R617-A621 PolarHBondContact O-N 3.05Å
618	K	89.9	Confident	90.9	Very high	66 Å²	66	39.1 Å²	39.1	29%	0.287	20%	0.196	S	C	.	.	H	α-helix	trans	-57	-43.9	-179	179	168.4	170.7	151.2	0	110.7	I526 L527 S530 Y620 A621 E622	I526-K618 WeakPolarHBondContact O-CB 3.33Å; I526-K618 WeakPolarHBondContact O-CD 3.17Å; I526-K618 WeakPolarHBondContact O-CG 3.38Å; L527-K618 PolarHBondContact O-NZ 3.13Å; S530-K618 PolarHBondContact OG-NZ 3.02Å; S530-K618 VanDerWaalsContact OG-NZ 3.07Å; K618-Y620 PolarHBondContact O-N 2.84Å; K618-Y620 VanDerWaalsContact O-N 3.11Å; K618-A621 PolarHBondContact O-N 2.81Å; K618-A621 VanDerWaalsContact O-N 3.08Å; K618-E622 WeakPolarHBondContact CE-OE1 3.37Å; K618-E622 HydrophobicContact CG-CG 4.04Å; K618-E622 IonicContact NZ-OE1 3.54Å; K618-E622 WeakPolarHBondContact O-CG 3.36Å; K618-E622 PolarHBondContact O-N 3.24Å
619	E	91.3	Very high	91.3	Very high	101 Å²	101	42 Å²	42	47%	0.472	21%	0.214	S	C	.	.	H	α-helix	trans	-57.2	-31.5	-178.6	-45.1	80.7	-109.4	0	0	114	R617 F623	R617-E619 VanDerWaalsContact C-N 3.26Å; R617-E619 PolarHBondContact O-N 3.03Å; E619-F623 VanDerWaalsContact O-CB 3.32Å; E619-F623 WeakPolarHBondContact O-CB 3.47Å; E619-F623 PolarHBondContact O-N 2.71Å; E619-F623 VanDerWaalsContact O-N 3.09Å
620	Y	92.6	Very high	91.2	Very high	7 Å²	7	43.3 Å²	43.3	3%	0.027	22%	0.224	C	C	.	.	H	α-helix	trans	-78.9	-37.9	179.1	-61.9	-24.2	0	0	0	112.1	L594 M598 R617 K618 F623 L624	L594-Y620 HydrophobicContact CD1-CD1 4.12Å; L594-Y620 HydrophobicContact CD1-CG 4.22Å; M598-Y620 HydrophobicContact CE-CD1 4.48Å; M598-Y620 HydrophobicContact CE-CD2 3.41Å; M598-Y620 VanDerWaalsContact CE-CD2 3.41Å; M598-Y620 HydrophobicContact CE-CE2 3.88Å; M598-Y620 HydrophobicContact CE-CG 3.77Å; M598-Y620 HydrophobicContact CG-CD1 4.22Å; M598-Y620 HydrophobicContact CG-CD2 4.22Å; M598-Y620 HydrophobicContact CG-CE1 3.91Å; M598-Y620 HydrophobicContact CG-CE2 3.9Å; M598-Y620 HydrophobicContact CG-CG 4.39Å; R617-Y620 HydrophobicContact CB-CD2 3.74Å; R617-Y620 HydrophobicContact CB-CE2 4Å; R617-Y620 HydrophobicContact CB-CG 4.22Å; R617-Y620 HydrophobicContact CG-CD2 4.22Å; R617-Y620 HydrophobicContact CG-CE2 4.04Å; R617-Y620 PolarHBondContact NH1-OH 2.9Å; R617-Y620 PolarHBondContact O-N 3.06Å; K618-Y620 PolarHBondContact O-N 2.84Å; K618-Y620 VanDerWaalsContact O-N 3.11Å; Y620-F623 PolarHBondContact O-N 3.1Å; Y620-L624 PolarHBondContact O-N 2.77Å
621	A	92.6	Very high	91.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-70.2	-41.4	175.5	0	0	0	0	0	111	A522 I526 L527 F541 L615 R617 K618 F623 L624 L625	A522-A621 HydrophobicContact CB-CB 4.06Å; I526-A621 HydrophobicContact CD1-CB 4.14Å; L527-A621 HydrophobicContact CD1-CB 4.44Å; L527-A621 HydrophobicContact CD2-CB 3.71Å; L527-A621 HydrophobicContact CG-CB 4.24Å; F541-A621 HydrophobicContact CE2-CB 4.23Å; F541-A621 HydrophobicContact CZ-CB 4.35Å; F541-A621 WeakPolarHBondContact CZ-O 3.37Å; L615-A621 HydrophobicContact CD1-CB 4.14Å; R617-A621 PolarHBondContact O-N 3.05Å; K618-A621 PolarHBondContact O-N 2.81Å; K618-A621 VanDerWaalsContact O-N 3.08Å; A621-F623 VanDerWaalsContact C-N 3.32Å; A621-F623 PolarHBondContact O-N 3.35Å; A621-L624 PolarHBondContact O-N 3.5Å; A621-L625 WeakPolarHBondContact O-CG 3.4Å; A621-L625 PolarHBondContact O-N 3.38Å
622	E	93.1	Very high	91.6	Very high	82 Å²	82	44.5 Å²	44.5	38%	0.383	23%	0.233	S	C	.	.	H	α-helix	trans	-61.7	-39.3	173.1	-72.1	-179.3	149.7	0	0	112.4	L527 K618 L624 L625 G626	L527-E622 HydrophobicContact CD2-CG 3.97Å; K618-E622 WeakPolarHBondContact CE-OE1 3.37Å; K618-E622 HydrophobicContact CG-CG 4.04Å; K618-E622 IonicContact NZ-OE1 3.54Å; K618-E622 WeakPolarHBondContact O-CG 3.36Å; K618-E622 PolarHBondContact O-N 3.24Å; E622-L624 VanDerWaalsContact C-N 3.34Å; E622-L624 PolarHBondContact O-N 2.93Å; E622-L625 PolarHBondContact O-N 2.52Å; E622-G626 PolarHBondContact O-N 3.28Å
623	F	94.8	Very high	91.7	Very high	41 Å²	41	45.6 Å²	45.6	18%	0.18	24%	0.24	C	C	.	.	H	α-helix	trans	-57.7	-47.2	174.5	175.1	-92.9	0	0	0	111.7	E593 L594 K597 E619 Y620 A621 G626 K627	E593-F623 HydrophobicContact CB-CE1 4.15Å; E593-F623 HydrophobicContact CB-CZ 3.68Å; L594-F623 HydrophobicContact CB-CD1 4.02Å; L594-F623 HydrophobicContact CB-CE1 3.86Å; L594-F623 HydrophobicContact CD1-CD1 3.76Å; L594-F623 HydrophobicContact CD1-CE1 4.4Å; L594-F623 HydrophobicContact CD1-CG 4.38Å; L594-F623 HydrophobicContact CG-CD1 4.44Å; K597-F623 HydrophobicContact CD-CB 4.34Å; K597-F623 HydrophobicContact CD-CD2 3.71Å; K597-F623 HydrophobicContact CD-CE2 4.22Å; K597-F623 HydrophobicContact CD-CG 3.98Å; E619-F623 VanDerWaalsContact O-CB 3.32Å; E619-F623 WeakPolarHBondContact O-CB 3.47Å; E619-F623 PolarHBondContact O-N 2.71Å; E619-F623 VanDerWaalsContact O-N 3.09Å; Y620-F623 PolarHBondContact O-N 3.1Å; A621-F623 VanDerWaalsContact C-N 3.32Å; A621-F623 PolarHBondContact O-N 3.35Å; F623-G626 PolarHBondContact O-N 3.07Å; F623-K627 HydrophobicContact CE1-CG 4.18Å; F623-K627 HydrophobicContact CZ-CG 4.23Å; F623-K627 WeakPolarHBondContact O-CG 3.47Å; F623-K627 PolarHBondContact O-N 2.78Å
624	L	95.8	Very high	91.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-69.3	-36	177.9	-71.8	-178.2	0	0	0	112.5	F541 V586 A590 F591 L594 L615 Y620 A621 E622 G626 K627 T628	F541-L624 HydrophobicContact CB-CB 4.33Å; F541-L624 HydrophobicContact CB-CD1 3.66Å; F541-L624 HydrophobicContact CD1-CB 3.51Å; F541-L624 HydrophobicContact CD1-CD1 4.28Å; F541-L624 HydrophobicContact CD2-CB 4.14Å; F541-L624 HydrophobicContact CD2-CD1 3.68Å; F541-L624 HydrophobicContact CE1-CB 3.7Å; F541-L624 HydrophobicContact CE2-CB 4.31Å; F541-L624 HydrophobicContact CE2-CD1 4.37Å; F541-L624 HydrophobicContact CG-CB 3.73Å; F541-L624 HydrophobicContact CG-CD1 3.61Å; F541-L624 HydrophobicContact CG-CG 4.33Å; F541-L624 HydrophobicContact CZ-CB 4.1Å; V586-L624 HydrophobicContact CG1-CB 4.45Å; A590-L624 HydrophobicContact CB-CD2 4.28Å; F591-L624 HydrophobicContact CE1-CD1 3.79Å; F591-L624 HydrophobicContact CE1-CD2 4.4Å; F591-L624 HydrophobicContact CZ-CD1 3.98Å; F591-L624 HydrophobicContact CZ-CD2 4.48Å; L594-L624 HydrophobicContact CB-CD2 4.38Å; L594-L624 HydrophobicContact CD2-CD1 3.82Å; L594-L624 HydrophobicContact CD2-CD2 4.06Å; L594-L624 HydrophobicContact CD2-CG 3.92Å; L615-L624 HydrophobicContact CD1-CD1 3.86Å; Y620-L624 PolarHBondContact O-N 2.77Å; A621-L624 PolarHBondContact O-N 3.5Å; E622-L624 VanDerWaalsContact C-N 3.34Å; E622-L624 PolarHBondContact O-N 2.93Å; L624-G626 VanDerWaalsContact C-N 3.27Å; L624-G626 PolarHBondContact O-N 3.07Å; L624-K627 CarbonylContact O-C 3.53Å; L624-K627 WeakPolarHBondContact O-CA 3.5Å; L624-K627 WeakPolarHBondContact O-CB 3.07Å; L624-K627 PolarHBondContact O-N 3.31Å; L624-T628 PolarHBondContact O-N 3Å
625	L	93.4	Very high	91.8	Very high	52 Å²	52	50.8 Å²	50.8	27%	0.272	27%	0.267	S	S	.	.	H	α-helix	trans	-58.2	-40.9	172.3	-76.3	168.4	0	0	0	111.6	L527 F541 Q584 A621 E622 K627 T628	L527-L625 HydrophobicContact CD1-CD1 4.01Å; L527-L625 HydrophobicContact CD2-CD1 3.8Å; F541-L625 HydrophobicContact CE1-CB 4.38Å; F541-L625 HydrophobicContact CE1-CD2 3.69Å; F541-L625 HydrophobicContact CE1-CG 3.66Å; F541-L625 HydrophobicContact CZ-CD2 4.04Å; F541-L625 HydrophobicContact CZ-CG 3.76Å; Q584-L625 HydrophobicContact CG-CD2 4.41Å; A621-L625 WeakPolarHBondContact O-CG 3.4Å; A621-L625 PolarHBondContact O-N 3.38Å; E622-L625 PolarHBondContact O-N 2.52Å; L625-K627 PolarHBondContact O-N 2.81Å; L625-T628 WeakPolarHBondContact O-CB 3.34Å; L625-T628 PolarHBondContact O-N 3.34Å; L625-T628 PolarHBondContact O-OG1 3.19Å; L625-T628 VanDerWaalsContact O-OG1 3.13Å
626	G	93.9	Very high	91.8	Very high	70 Å²	70	54.2 Å²	54.2	72%	0.722	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-10.5	174.6	0	0	0	0	0	114.4	E622 F623 L624	E622-G626 PolarHBondContact O-N 3.28Å; F623-G626 PolarHBondContact O-N 3.07Å; L624-G626 VanDerWaalsContact C-N 3.27Å; L624-G626 PolarHBondContact O-N 3.07Å
627	K	95.7	Very high	92.1	Very high	55 Å²	55	51.9 Å²	51.9	24%	0.239	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	1.5	176.1	-64.1	-65.6	-171.5	166.4	0	113	V586 S587 A590 E593 F623 L624 L625 V629	V586-K627 CarbonylContact C-O 3.57Å; V586-K627 WeakPolarHBondContact CA-O 3Å; V586-K627 HydrophobicContact CB-CB 4.4Å; S587-K627 PolarHBondContact N-O 3.08Å; A590-K627 HydrophobicContact CB-CB 3.97Å; A590-K627 HydrophobicContact CB-CG 4.27Å; E593-K627 IonicContact OE1-NZ 2.72Å; E593-K627 WeakPolarHBondContact OE2-CE 3.12Å; E593-K627 IonicContact OE2-NZ 3.36Å; E593-K627 PolarHBondContact OE2-NZ 3.24Å; F623-K627 HydrophobicContact CE1-CG 4.18Å; F623-K627 HydrophobicContact CZ-CG 4.23Å; F623-K627 WeakPolarHBondContact O-CG 3.47Å; F623-K627 PolarHBondContact O-N 2.78Å; L624-K627 CarbonylContact O-C 3.53Å; L624-K627 WeakPolarHBondContact O-CA 3.5Å; L624-K627 WeakPolarHBondContact O-CB 3.07Å; L624-K627 PolarHBondContact O-N 3.31Å; L625-K627 PolarHBondContact O-N 2.81Å; K627-V629 PolarHBondContact O-N 2.65Å
628	T	93.1	Very high	92.4	Very high	42 Å²	42	49.2 Å²	49.2	26%	0.258	28%	0.278	S	S	.	.	B	Isolated β-bridge	trans	-61.9	123.7	176.3	-62.4	0	0	0	0	109.9	Q584 L585 L624 L625	Q584-T628 HydrophobicContact CB-CG2 4.12Å; L585-T628 CarbonylContact O-C 3.56Å; L585-T628 WeakPolarHBondContact O-CA 3.45Å; L624-T628 PolarHBondContact O-N 3Å; L625-T628 WeakPolarHBondContact O-CB 3.34Å; L625-T628 PolarHBondContact O-N 3.34Å; L625-T628 PolarHBondContact O-OG1 3.19Å; L625-T628 VanDerWaalsContact O-OG1 3.13Å
629	V	92.3	Very high	92.6	Very high	86 Å²	86	47.8 Å²	47.8	52%	0.521	28%	0.278	S	S	.	.			trans	-100.9	-19.8	172.3	-64.5	0	0	0	0	111.9	L585 K627	L585-V629 HydrophobicContact CB-CG2 4.38Å; L585-V629 HydrophobicContact CD2-CG2 4.09Å; L585-V629 HydrophobicContact CG-CG2 3.85Å; L585-V629 WeakPolarHBondContact O-CG2 3.46Å; L585-V629 PolarHBondContact O-N 2.95Å; K627-V629 PolarHBondContact O-N 2.65Å
630	S	82.6	Confident	92.7	Very high	37 Å²	37	42.9 Å²	42.9	26%	0.259	26%	0.26	S	S	.	.			trans	-157.2	0	174.2	-168.3	0	0	0	0	115.3	N549 R555 L585	N549-S630 PolarHBondContact ND2-OG 2.68Å; N549-S630 VanDerWaalsContact ND2-OG 3.14Å; N549-S630 PolarHBondContact OD1-OG 3.14Å; R555-S630 VanDerWaalsContact NH1-C 3.27Å; R555-S630 PolarHBondContact NH1-O 3.22Å; R555-S630 PolarHBondContact NH1-OXT 3.1Å; R555-S630 VanDerWaalsContact NH1-OXT 3.1Å; R555-S630 PolarHBondContact NH2-O 3.29Å; R555-S630 PolarHBondContact NH2-OG 2.81Å; R555-S630 PolarHBondContact NH2-OXT 2.76Å; L585-S630 WeakPolarHBondContact CB-O 3.42Å; L585-S630 PolarHBondContact N-O 3.2Å; L585-S630 PolarHBondContact O-N 2.95Å

Retrieved 630 of 630 residues in 586.2 ms (Link to these results)

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