A0A059WJG5_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A059WJG5, Species HUMAN (Homo sapiens, Human), Gene HLA-DQB1, Length 269 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	34.3	Very low	41.7	Very low	247 Å²	247	161.8 Å²	161.8	100%	1.217	82%	0.823	S	S	*	*				0	139.6	0	-87.9	156.3	87.8	0	0	109.4
2	S	35.4	Very low	42.7	Very low	121 Å²	121	159.7 Å²	159.7	85%	0.846	82%	0.815	S	S	*	*			trans	76	83.3	173.2	-147.6	0	0	0	0	117.9
3	W	31.4	Very low	43.4	Very low	260 Å²	260	155.9 Å²	155.9	99%	0.985	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-89.4	134.8	157.6	-103.8	-0.7	0	0	0	110	K5	W3-K5 PolarHBondContact O-N 3.44Å
4	K	39.2	Very low	44.2	Very low	209 Å²	209	158.4 Å²	158.4	91%	0.909	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-59.9	122.6	-175.6	-64.4	175.2	175.7	-178.6	0	111.1
5	K	40.8	Very low	45.1	Very low	196 Å²	196	154.3 Å²	154.3	85%	0.852	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-78.3	116.8	163.2	-76.2	-177	178.5	179.4	0	108.7	W3 L7	W3-K5 PolarHBondContact O-N 3.44Å; K5-L7 PolarHBondContact O-N 3.16Å
6	A	50.5	Low	46	Very low	99 Å²	99	147.5 Å²	147.5	82%	0.818	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-65.5	116.2	164.5	0	0	0	0	0	108.7	R8	A6-R8 PolarHBondContact O-N 3.33Å; A6-R8 VanDerWaalsContact O-N 3.16Å
7	L	40.3	Very low	46.7	Very low	157 Å²	157	143.5 Å²	143.5	82%	0.822	74%	0.737	S	S	*	*			trans	-72.9	103.9	169.4	-114.3	88.6	0	0	0	108.2	K5 I9	K5-L7 PolarHBondContact O-N 3.16Å; L7-I9 PolarHBondContact O-N 3.38Å
8	R	45.2	Very low	47.5	Very low	240 Å²	240	140.3 Å²	140.3	91%	0.906	73%	0.725	S	S	*	*			trans	-79.8	105.4	164.7	-143.9	178.2	-161.5	-178.8	4.1	106.6	A6	A6-R8 PolarHBondContact O-N 3.33Å; A6-R8 VanDerWaalsContact O-N 3.16Å
9	I	45.3	Very low	48.2	Very low	106 Å²	106	137.3 Å²	137.3	54%	0.544	71%	0.714	S	S	.	*			trans	-69.9	127.3	178.4	-57	178.7	0	0	0	108.1	L7 L13	L7-I9 PolarHBondContact O-N 3.38Å; I9-L13 HydrophobicContact CG2-CB 3.99Å; I9-L13 HydrophobicContact CG2-CD2 3.93Å
10	P	42.8	Very low	48.8	Very low	90 Å²	90	136.5 Å²	136.5	58%	0.584	71%	0.71	S	S	*	*			trans	-59.8	140.4	177.8	-19.5	30.7	0	0	0	111.6	D12 L13	P10-D12 PolarHBondContact O-N 2.77Å; P10-D12 VanDerWaalsContact O-N 3.11Å; P10-L13 PolarHBondContact O-N 3.42Å; P10-L13 VanDerWaalsContact O-N 3.11Å
11	G	53.9	Low	49.3	Very low	55 Å²	55	136.1 Å²	136.1	57%	0.567	71%	0.706	S	S	*	*	H	α-helix	trans	-56.6	-25.7	-178.7	0	0	0	0	0	114.6	L13 R14 V15	G11-L13 VanDerWaalsContact C-N 3.28Å; G11-L13 PolarHBondContact O-N 3.45Å; G11-R14 PolarHBondContact O-N 2.94Å; G11-V15 PolarHBondContact O-N 3.44Å
12	D	53.5	Low	50.4	Low	136 Å²	136	129.4 Å²	129.4	73%	0.727	68%	0.675	S	S	*	*	H	α-helix	trans	-64.8	-29.5	178	-70.8	-31	0	0	0	113.5	P10 R14 V15 A16	P10-D12 PolarHBondContact O-N 2.77Å; P10-D12 VanDerWaalsContact O-N 3.11Å; D12-R14 VanDerWaalsContact C-N 3.34Å; D12-R14 PolarHBondContact O-N 3.13Å; D12-V15 PolarHBondContact O-N 3.44Å; D12-A16 WeakPolarHBondContact O-CB 3.46Å; D12-A16 PolarHBondContact O-N 2.95Å
13	L	51.8	Low	51.6	Low	111 Å²	111	126.4 Å²	126.4	58%	0.581	66%	0.657	S	S	*	*	H	α-helix	trans	-72.6	-30.7	-178.8	-145.3	82.7	0	0	0	111.9	I9 P10 G11 T17	I9-L13 HydrophobicContact CG2-CB 3.99Å; I9-L13 HydrophobicContact CG2-CD2 3.93Å; P10-L13 PolarHBondContact O-N 3.42Å; P10-L13 VanDerWaalsContact O-N 3.11Å; G11-L13 VanDerWaalsContact C-N 3.28Å; G11-L13 PolarHBondContact O-N 3.45Å; L13-T17 WeakPolarHBondContact O-CB 3.29Å; L13-T17 PolarHBondContact O-N 3.36Å; L13-T17 VanDerWaalsContact O-N 3.12Å; L13-T17 PolarHBondContact O-OG1 2.89Å
14	R	54.8	Low	52.9	Low	190 Å²	190	120 Å²	120	72%	0.717	64%	0.64	S	S	*	*	H	α-helix	trans	-74.4	-38.2	175.6	-80	-172.2	176.8	-173.2	-1.3	112	G11 D12 T17 V18	G11-R14 PolarHBondContact O-N 2.94Å; D12-R14 VanDerWaalsContact C-N 3.34Å; D12-R14 PolarHBondContact O-N 3.13Å; R14-T17 WeakPolarHBondContact CA-OG1 3.42Å; R14-T17 PolarHBondContact O-OG1 3.11Å; R14-T17 VanDerWaalsContact O-OG1 3.1Å; R14-V18 WeakPolarHBondContact O-CB 3.04Å; R14-V18 VanDerWaalsContact O-CG2 3.23Å; R14-V18 WeakPolarHBondContact O-CG2 3.41Å; R14-V18 PolarHBondContact O-N 2.72Å; R14-V18 VanDerWaalsContact O-N 3.08Å
15	V	57.5	Low	53.6	Low	97 Å²	97	115.4 Å²	115.4	59%	0.588	63%	0.625	S	S	*	*	H	α-helix	trans	-65.6	-48	175.8	179.8	0	0	0	0	109.4	G11 D12 T17 V18 T19	G11-V15 PolarHBondContact O-N 3.44Å; D12-V15 PolarHBondContact O-N 3.44Å; V15-T17 VanDerWaalsContact C-N 3.34Å; V15-T17 PolarHBondContact O-N 3.02Å; V15-V18 PolarHBondContact O-N 3.25Å; V15-T19 PolarHBondContact O-N 3.06Å; V15-T19 PolarHBondContact O-OG1 3.42Å
16	A	59	Low	54.2	Low	46 Å²	46	109.5 Å²	109.5	38%	0.38	61%	0.608	S	S	.	*	H	α-helix	trans	-60.5	-38	178.9	0	0	0	0	0	113.7	D12 T19 L20	D12-A16 WeakPolarHBondContact O-CB 3.46Å; D12-A16 PolarHBondContact O-N 2.95Å; A16-T19 WeakPolarHBondContact CA-OG1 3.38Å; A16-T19 PolarHBondContact O-OG1 3.17Å; A16-L20 WeakPolarHBondContact O-CB 3.3Å; A16-L20 PolarHBondContact O-N 3.1Å
17	T	58.2	Low	54.2	Low	80 Å²	80	108.9 Å²	108.9	49%	0.491	60%	0.598	S	S	.	*	H	α-helix	trans	-71.9	-36	176.4	36.3	0	0	0	0	112.4	L13 R14 V15 L20 M21	L13-T17 WeakPolarHBondContact O-CB 3.29Å; L13-T17 PolarHBondContact O-N 3.36Å; L13-T17 VanDerWaalsContact O-N 3.12Å; L13-T17 PolarHBondContact O-OG1 2.89Å; R14-T17 WeakPolarHBondContact CA-OG1 3.42Å; R14-T17 PolarHBondContact O-OG1 3.11Å; R14-T17 VanDerWaalsContact O-OG1 3.1Å; V15-T17 VanDerWaalsContact C-N 3.34Å; V15-T17 PolarHBondContact O-N 3.02Å; T17-L20 PolarHBondContact O-N 2.64Å; T17-M21 WeakPolarHBondContact O-CB 3.13Å; T17-M21 WeakPolarHBondContact O-CG 3.04Å; T17-M21 PolarHBondContact O-N 2.97Å
18	V	61.7	Low	54.7	Low	85 Å²	85	108.1 Å²	108.1	52%	0.515	59%	0.594	S	S	.	*	H	α-helix	trans	-70.1	-39.9	175.3	171.6	0	0	0	0	111.3	R14 V15 M21 L22	R14-V18 WeakPolarHBondContact O-CB 3.04Å; R14-V18 VanDerWaalsContact O-CG2 3.23Å; R14-V18 WeakPolarHBondContact O-CG2 3.41Å; R14-V18 PolarHBondContact O-N 2.72Å; R14-V18 VanDerWaalsContact O-N 3.08Å; V15-V18 PolarHBondContact O-N 3.25Å; V18-M21 PolarHBondContact O-N 3.36Å; V18-L22 HydrophobicContact CG1-CD1 3.81Å; V18-L22 WeakPolarHBondContact O-CB 3.15Å; V18-L22 PolarHBondContact O-N 2.81Å
19	T	60.5	Low	54.9	Low	83 Å²	83	103.5 Å²	103.5	51%	0.509	59%	0.587	S	S	.	*	H	α-helix	trans	-66.1	-37.8	172.8	19.6	0	0	0	0	112.7	V15 A16 A23	V15-T19 PolarHBondContact O-N 3.06Å; V15-T19 PolarHBondContact O-OG1 3.42Å; A16-T19 WeakPolarHBondContact CA-OG1 3.38Å; A16-T19 PolarHBondContact O-OG1 3.17Å; T19-A23 VanDerWaalsContact O-CB 3.27Å; T19-A23 WeakPolarHBondContact O-CB 3.29Å; T19-A23 PolarHBondContact O-N 3.15Å
20	L	59.5	Low	55.5	Low	122 Å²	122	102.7 Å²	102.7	64%	0.639	60%	0.596	S	S	*	*	H	α-helix	trans	-63.9	-44.3	173.2	-113.6	99.2	0	0	0	111.6	A16 T17 A23 M24	A16-L20 WeakPolarHBondContact O-CB 3.3Å; A16-L20 PolarHBondContact O-N 3.1Å; T17-L20 PolarHBondContact O-N 2.64Å; L20-A23 PolarHBondContact O-N 2.76Å; L20-M24 WeakPolarHBondContact O-CB 3.48Å; L20-M24 WeakPolarHBondContact O-CG 3.31Å; L20-M24 PolarHBondContact O-N 3.23Å
21	M	60	Low	55.8	Low	128 Å²	128	107.1 Å²	107.1	63%	0.631	61%	0.608	S	S	*	*	H	α-helix	trans	-66.4	-39.3	178.8	-71.5	-74.7	-78.5	0	0	111.8	T17 V18 M24 L25	T17-M21 WeakPolarHBondContact O-CB 3.13Å; T17-M21 WeakPolarHBondContact O-CG 3.04Å; T17-M21 PolarHBondContact O-N 2.97Å; V18-M21 PolarHBondContact O-N 3.36Å; M21-M24 PolarHBondContact O-N 2.8Å; M21-L25 WeakPolarHBondContact O-CB 3.33Å; M21-L25 WeakPolarHBondContact O-CD1 3.49Å; M21-L25 PolarHBondContact O-N 3.25Å
22	L	57.7	Low	55.9	Low	106 Å²	106	107.5 Å²	107.5	56%	0.555	61%	0.613	S	S	*	*	H	α-helix	trans	-64.1	-44.9	172.8	-94.8	146.2	0	0	0	111.5	V18 M24 L25 S26	V18-L22 HydrophobicContact CG1-CD1 3.81Å; V18-L22 WeakPolarHBondContact O-CB 3.15Å; V18-L22 PolarHBondContact O-N 2.81Å; L22-M24 VanDerWaalsContact C-N 3.35Å; L22-M24 PolarHBondContact O-N 3.03Å; L22-L25 CarbonylContact O-C 3.59Å; L22-L25 PolarHBondContact O-N 2.94Å; L22-S26 PolarHBondContact O-N 3.5Å; L22-S26 PolarHBondContact O-OG 3Å
23	A	60	Low	56	Low	59 Å²	59	111.7 Å²	111.7	49%	0.488	62%	0.618	S	S	.	*	H	α-helix	trans	-64.2	-37.9	177.1	0	0	0	0	0	112.6	T19 L20 S26 S27	T19-A23 VanDerWaalsContact O-CB 3.27Å; T19-A23 WeakPolarHBondContact O-CB 3.29Å; T19-A23 PolarHBondContact O-N 3.15Å; L20-A23 PolarHBondContact O-N 2.76Å; A23-S26 WeakPolarHBondContact O-CB 3.43Å; A23-S26 PolarHBondContact O-N 3Å; A23-S27 PolarHBondContact O-N 3.06Å; A23-S27 VanDerWaalsContact O-N 3.07Å; A23-S27 PolarHBondContact O-OG 3.41Å
24	M	58.4	Low	56.4	Low	124 Å²	124	114.3 Å²	114.3	61%	0.611	63%	0.633	S	S	*	*	H	α-helix	trans	-71.4	-33	175.3	-65.8	-70.8	-89.4	0	0	112	L20 M21 L22 S27 L28	L20-M24 WeakPolarHBondContact O-CB 3.48Å; L20-M24 WeakPolarHBondContact O-CG 3.31Å; L20-M24 PolarHBondContact O-N 3.23Å; M21-M24 PolarHBondContact O-N 2.8Å; L22-M24 VanDerWaalsContact C-N 3.35Å; L22-M24 PolarHBondContact O-N 3.03Å; M24-S27 WeakPolarHBondContact CA-OG 3.42Å; M24-S27 PolarHBondContact O-OG 3.29Å; M24-L28 PolarHBondContact O-N 3Å
25	L	54.4	Low	56.9	Low	113 Å²	113	109.6 Å²	109.6	59%	0.592	63%	0.629	S	S	*	*	H	α-helix	trans	-69.2	-34.3	168.7	-107.1	83.4	0	0	0	112.1	M21 L22 S27 L28 L29	M21-L25 WeakPolarHBondContact O-CB 3.33Å; M21-L25 WeakPolarHBondContact O-CD1 3.49Å; M21-L25 PolarHBondContact O-N 3.25Å; L22-L25 CarbonylContact O-C 3.59Å; L22-L25 PolarHBondContact O-N 2.94Å; L25-S27 VanDerWaalsContact C-N 3.32Å; L25-S27 PolarHBondContact O-N 2.97Å; L25-L28 WeakPolarHBondContact O-CB 3.41Å; L25-L28 PolarHBondContact O-N 3.41Å; L25-L28 VanDerWaalsContact O-N 3.09Å; L25-L29 PolarHBondContact O-N 3.47Å
26	S	52.5	Low	57.5	Low	73 Å²	73	109.6 Å²	109.6	51%	0.51	63%	0.631	S	S	.	*	H	α-helix	trans	-66.4	-32	174.9	-53.3	0	0	0	0	112.4	L22 A23 L28 L29	L22-S26 PolarHBondContact O-N 3.5Å; L22-S26 PolarHBondContact O-OG 3Å; A23-S26 WeakPolarHBondContact O-CB 3.43Å; A23-S26 PolarHBondContact O-N 3Å; S26-L28 PolarHBondContact O-N 3.01Å; S26-L29 WeakPolarHBondContact O-CB 3.35Å; S26-L29 PolarHBondContact O-N 3.02Å
27	S	52.3	Low	58.6	Low	86 Å²	86	116.2 Å²	116.2	60%	0.601	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	-10.2	171.4	51.6	0	0	0	0	114.1	A23 M24 L25	A23-S27 PolarHBondContact O-N 3.06Å; A23-S27 VanDerWaalsContact O-N 3.07Å; A23-S27 PolarHBondContact O-OG 3.41Å; M24-S27 WeakPolarHBondContact CA-OG 3.42Å; M24-S27 PolarHBondContact O-OG 3.29Å; L25-S27 VanDerWaalsContact C-N 3.32Å; L25-S27 PolarHBondContact O-N 2.97Å
28	L	48.9	Very low	60.1	Low	140 Å²	140	118.5 Å²	118.5	73%	0.733	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	-7.2	172.7	-86.1	151.8	0	0	0	112.8	M24 L25 S26 A30	M24-L28 PolarHBondContact O-N 3Å; L25-L28 WeakPolarHBondContact O-CB 3.41Å; L25-L28 PolarHBondContact O-N 3.41Å; L25-L28 VanDerWaalsContact O-N 3.09Å; S26-L28 PolarHBondContact O-N 3.01Å; L28-A30 PolarHBondContact O-N 3.09Å
29	L	50.4	Low	61.5	Low	144 Å²	144	121.8 Å²	121.8	75%	0.754	67%	0.671	S	S	*	*	S	Bend	trans	-71.9	82.6	165.4	-99.4	150.3	0	0	0	107.7	L25 S26 E31	L25-L29 PolarHBondContact O-N 3.47Å; S26-L29 WeakPolarHBondContact O-CB 3.35Å; S26-L29 PolarHBondContact O-N 3.02Å; L29-E31 PolarHBondContact O-N 3.46Å
30	A	58.1	Low	63.2	Low	89 Å²	89	121.6 Å²	121.6	74%	0.736	67%	0.669	S	S	*	*			trans	5.3	85.4	167	0	0	0	0	0	113.2	L28 G32	L28-A30 PolarHBondContact O-N 3.09Å; A30-G32 PolarHBondContact O-N 3.31Å
31	E	49.7	Very low	64.9	Low	182 Å²	182	121.6 Å²	121.6	85%	0.85	66%	0.662	S	S	*	*			trans	-61.7	88.7	152.2	-158.4	157.7	-150.8	0	0	104	L29 R33	L29-E31 PolarHBondContact O-N 3.46Å; E31-R33 VanDerWaalsContact C-N 3.29Å; E31-R33 PolarHBondContact O-N 3.44Å
32	G	55.3	Low	66.8	Low	64 Å²	64	118.7 Å²	118.7	66%	0.66	65%	0.647	S	S	*	*			trans	-55.3	105	172.6	0	0	0	0	0	104.2	A30 D34	A30-G32 PolarHBondContact O-N 3.31Å; G32-D34 PolarHBondContact O-N 2.99Å
33	R	55.6	Low	68.7	Low	223 Å²	223	119 Å²	119	84%	0.842	64%	0.644	S	S	*	*			trans	-39.4	123.9	176.2	-85.8	178.5	171.3	159.7	-2.3	106.8	E31 S35	E31-R33 VanDerWaalsContact C-N 3.29Å; E31-R33 PolarHBondContact O-N 3.44Å; R33-S35 PolarHBondContact O-N 3.3Å; R33-S35 PolarHBondContact O-OG 3.25Å
34	D	59.9	Low	70.5	Confident	167 Å²	167	120.6 Å²	120.6	89%	0.893	64%	0.64	S	S	*	*			trans	-45.7	95.8	169	-118.2	-7.9	0	0	0	106.3	G32	G32-D34 PolarHBondContact O-N 2.99Å
35	S	64.7	Low	72.3	Confident	91 Å²	91	117 Å²	117	64%	0.636	64%	0.635	S	S	*	*			trans	-73.9	135.1	173.2	-64.1	0	0	0	0	103.1	R33 E37	R33-S35 PolarHBondContact O-N 3.3Å; R33-S35 PolarHBondContact O-OG 3.25Å; S35-E37 PolarHBondContact O-N 2.94Å
36	P	70.4	Confident	74.4	Confident	96 Å²	96	115.1 Å²	115.1	62%	0.623	62%	0.623	S	S	*	*			trans	-45.5	132.4	172.4	-24	32.6	0	0	0	108.6	D38	P36-D38 PolarHBondContact O-N 3.44Å
37	E	82.8	Confident	76.5	Confident	186 Å²	186	113.3 Å²	113.3	87%	0.869	61%	0.611	S	S	*	*			trans	-67	79.3	178.7	-72.3	-169.7	163.5	0	0	109.5	S35	S35-E37 PolarHBondContact O-N 2.94Å
38	D	89.1	Confident	78.7	Confident	128 Å²	128	113.6 Å²	113.6	68%	0.684	60%	0.599	S	S	*	*			trans	-95.4	129.4	-176.9	-70.1	-24.6	0	0	0	109.7	P36	P36-D38 PolarHBondContact O-N 3.44Å
39	F	91.9	Very high	80.9	Confident	154 Å²	154	109.7 Å²	109.7	68%	0.675	58%	0.576	S	S	*	*			trans	-126.3	139.4	175.1	51.2	-89.7	0	0	0	110.4	Y64 N65	F39-Y64 HydrophobicContact CB-CE2 4.3Å; F39-N65 WeakPolarHBondContact CA-OD1 3.49Å
40	V	96	Very high	83	Confident	78 Å²	78	106.9 Å²	106.9	47%	0.473	57%	0.565	S	S	.	*			trans	-126.7	125.3	179.9	-176.7	0	0	0	0	109.2	Q42 N65	V40-Q42 HydrophobicContact CG1-CG 3.83Å; V40-N65 PolarHBondContact N-OD1 2.9Å; V40-N65 WeakPolarHBondContact O-CA 3.5Å; V40-N65 PolarHBondContact O-N 3.01Å
41	Y	95.8	Very high	84.6	Confident	122 Å²	122	108.7 Å²	108.7	48%	0.478	56%	0.563	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.9	131.2	168.4	-170.7	-89.7	0	0	0	109.9	H62 Y64 Y69	Y41-H62 PolarHBondContact OH-CD2 2.96Å; Y41-H62 VanDerWaalsContact OH-CD2 3.25Å; Y41-Y64 HydrophobicContact CD2-CD2 4.35Å; Y41-Y69 AromaticContact CE2-CE1 3.65Å; Y41-Y69 HydrophobicContact CE2-CE1 3.65Å; Y41-Y69 AromaticContact CE2-CZ 3.95Å; Y41-Y69 WeakPolarHBondContact CE2-OH 3.48Å; Y41-Y69 PolarHBondContact OH-OH 3.01Å
42	Q	98.3	Very high	86.5	Confident	67 Å²	67	101.3 Å²	101.3	31%	0.313	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	136.3	178.1	-51.3	169.7	63.1	0	0	110.3	V40 I63 N65	V40-Q42 HydrophobicContact CG1-CG 3.83Å; Q42-I63 HydrophobicContact CB-CB 4.17Å; Q42-I63 PolarHBondContact N-O 3.46Å; Q42-I63 PolarHBondContact O-N 3.28Å; Q42-N65 PolarHBondContact NE2-O 3.3Å
43	F	97.7	Very high	88.3	Confident	113 Å²	113	100.1 Å²	100.1	50%	0.496	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	132.5	166.9	171.7	-96.5	0	0	0	109	T60 R61 H62	F43-T60 HydrophobicContact CE2-CG2 4.34Å; F43-T60 HydrophobicContact CZ-CG2 4.13Å; F43-R61 WeakPolarHBondContact CA-O 3.33Å; F43-H62 AromaticContact CD2-CE1 3.5Å; F43-H62 AromaticContact CD2-ND1 3.84Å; F43-H62 AromaticContact CD2-NE2 3.76Å; F43-H62 AromaticContact CE2-CE1 3.39Å; F43-H62 WeakPolarHBondContact CE2-CE1 3.5Å; F43-H62 AromaticContact CE2-NE2 3.86Å
44	K	98.1	Very high	90.1	Very high	93 Å²	93	96.4 Å²	96.4	40%	0.404	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	114.6	175.8	-61	-173.3	177.7	-176.8	0	110.1	M46 T60 R61 I63	K44-M46 HydrophobicContact CB-CG 4.35Å; K44-M46 HydrophobicContact CB-SD 4.42Å; K44-T60 CarbonylContact O-C 3.57Å; K44-T60 VanDerWaalsContact O-CA 3.3Å; K44-T60 WeakPolarHBondContact O-CA 3.37Å; K44-R61 HydrophobicContact CB-CB 4.31Å; K44-R61 PolarHBondContact N-O 3.47Å; K44-R61 PolarHBondContact O-N 2.94Å; K44-I63 HydrophobicContact CD-CD1 3.94Å; K44-I63 HydrophobicContact CG-CD1 4.25Å
45	G	97.6	Very high	91.8	Very high	49 Å²	49	95.7 Å²	95.7	51%	0.505	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	110.4	167.3	0	0	0	0	0	109.9
46	M	98	Very high	93.4	Very high	72 Å²	72	91.8 Å²	91.8	36%	0.355	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	117.6	-175.2	-56.5	-72	-67.9	0	0	109.5	K44 Y48 L58 V59	K44-M46 HydrophobicContact CB-CG 4.35Å; K44-M46 HydrophobicContact CB-SD 4.42Å; M46-Y48 HydrophobicContact CB-CD2 4.43Å; M46-Y48 HydrophobicContact CB-CE2 3.61Å; M46-Y48 HydrophobicContact CE-CE1 4.42Å; M46-Y48 WeakPolarHBondContact CE-OH 3.34Å; M46-L58 WeakPolarHBondContact O-CA 3.47Å; M46-V59 HydrophobicContact CB-CB 4.38Å; M46-V59 WeakPolarHBondContact CB-O 3.46Å; M46-V59 PolarHBondContact N-O 3.1Å; M46-V59 PolarHBondContact O-N 3.08Å
47	C	97.1	Very high	94.7	Very high	36 Å²	36	91.6 Å²	91.6	24%	0.243	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	115.3	172.6	-58.9	0	0	0	0	109.1	F49 C111	C47-F49 HydrophobicContact CB-CD2 4.33Å; C47-F49 HydrophobicContact CB-CE1 4.46Å; C47-F49 HydrophobicContact CB-CE2 3.42Å; C47-F49 VanDerWaalsContact CB-CE2 3.42Å; C47-F49 HydrophobicContact CB-CZ 3.5Å; C47-F49 WeakPolarHBondContact O-CD2 3.49Å; C47-F49 WeakPolarHBondContact O-CE2 3.23Å; C47-C111 HydrophobicContact CB-CB 3.56Å; C47-C111 WeakPolarHBondContact CB-SG 3.35Å; C47-C111 WeakPolarHBondContact SG-CA 3.33Å; C47-C111 WeakPolarHBondContact SG-CB 3.46Å; C47-C111 CovalentContact SG-SG 2.03Å; C47-C111 PolarHBondContact SG-SG 3.4Å
48	Y	96.8	Very high	95.4	Very high	91 Å²	91	82.9 Å²	82.9	36%	0.357	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	122.9	175.8	-57.5	-89.6	0	0	0	109.2	M46 V56 R57 V59	M46-Y48 HydrophobicContact CB-CD2 4.43Å; M46-Y48 HydrophobicContact CB-CE2 3.61Å; M46-Y48 HydrophobicContact CE-CE1 4.42Å; M46-Y48 WeakPolarHBondContact CE-OH 3.34Å; Y48-V56 WeakPolarHBondContact O-CA 3.33Å; Y48-R57 PolarHBondContact N-O 3.08Å; Y48-R57 PolarHBondContact O-N 2.97Å; Y48-V59 HydrophobicContact CD2-CG2 4.28Å; Y48-V59 HydrophobicContact CE2-CB 4.12Å; Y48-V59 HydrophobicContact CE2-CG2 3.86Å
49	F	94.8	Very high	95.9	Very high	58 Å²	58	77 Å²	77	25%	0.254	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	127.8	-177.1	-60.3	-82.3	0	0	0	109.4	C47 G52 V56 C111 Y115 Y119	C47-F49 HydrophobicContact CB-CD2 4.33Å; C47-F49 HydrophobicContact CB-CE1 4.46Å; C47-F49 HydrophobicContact CB-CE2 3.42Å; C47-F49 VanDerWaalsContact CB-CE2 3.42Å; C47-F49 HydrophobicContact CB-CZ 3.5Å; C47-F49 WeakPolarHBondContact O-CD2 3.49Å; C47-F49 WeakPolarHBondContact O-CE2 3.23Å; F49-G52 WeakPolarHBondContact CB-O 3.32Å; F49-V56 HydrophobicContact CD1-CB 4.48Å; F49-V56 HydrophobicContact CD1-CG1 3.96Å; F49-V56 HydrophobicContact CD1-CG2 3.83Å; F49-V56 HydrophobicContact CE1-CG1 3.74Å; F49-V56 HydrophobicContact CE1-CG2 4.11Å; F49-V56 HydrophobicContact CZ-CG1 4.49Å; F49-C111 HydrophobicContact CE1-CB 4.11Å; F49-C111 WeakPolarHBondContact CE1-O 3.39Å; F49-C111 HydrophobicContact CZ-CB 3.91Å; F49-C111 VanDerWaalsContact CZ-O 3.29Å; F49-C111 WeakPolarHBondContact CZ-O 3.45Å; F49-Y115 HydrophobicContact CB-CD2 4.25Å; F49-Y115 HydrophobicContact CB-CE2 4.06Å; F49-Y115 AromaticContact CD1-CD2 3.42Å; F49-Y115 HydrophobicContact CD1-CD2 3.42Å; F49-Y115 VanDerWaalsContact CD1-CD2 3.42Å; F49-Y115 HydrophobicContact CD1-CE2 4.02Å; F49-Y115 HydrophobicContact CD1-CG 4.06Å; F49-Y115 AromaticContact CD2-CD2 3.97Å; F49-Y115 HydrophobicContact CD2-CD2 3.97Å; F49-Y115 HydrophobicContact CD2-CE2 4.46Å; F49-Y115 AromaticContact CE1-CD2 3.62Å; F49-Y115 HydrophobicContact CE1-CD2 3.62Å; F49-Y115 AromaticContact CE1-CG 3.95Å; F49-Y115 HydrophobicContact CE1-CG 3.95Å; F49-Y115 HydrophobicContact CE2-CD2 4.13Å; F49-Y115 AromaticContact CG-CD2 3.61Å; F49-Y115 HydrophobicContact CG-CD2 3.61Å; F49-Y115 AromaticContact CG-CE2 3.93Å; F49-Y115 HydrophobicContact CG-CE2 3.93Å; F49-Y115 AromaticContact CZ-CD2 3.97Å; F49-Y115 HydrophobicContact CZ-CD2 3.97Å; F49-Y115 HydrophobicContact CZ-CG 4.42Å; F49-Y119 HydrophobicContact CE2-CD2 4.26Å; F49-Y119 HydrophobicContact CE2-CE2 4.24Å; F49-Y119 HydrophobicContact CZ-CD2 4.39Å; F49-Y119 HydrophobicContact CZ-CE2 4.38Å
50	T	94.6	Very high	96.2	Very high	86 Å²	86	69.7 Å²	69.7	53%	0.528	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	130.9	174.9	-55.3	0	0	0	0	109.1	R55	T50-R55 PolarHBondContact N-O 3.24Å; T50-R55 PolarHBondContact O-N 3.1Å
51	N	92	Very high	96.3	Very high	127 Å²	127	69.5 Å²	69.5	68%	0.679	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	56.6	-173.5	-161	23.9	0	0	0	112.4	T53 E54	N51-T53 PolarHBondContact O-N 3.43Å; N51-E54 HydrophobicContact CB-CB 4.31Å; N51-E54 WeakPolarHBondContact CB-OE2 3.37Å; N51-E54 PolarHBondContact ND2-OE2 2.91Å; N51-E54 WeakPolarHBondContact O-CB 3.34Å; N51-E54 PolarHBondContact O-N 3.37Å
52	G	89.9	Confident	96.4	Very high	27 Å²	27	64.3 Å²	64.3	28%	0.278	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.4	-124.1	-172.5	0	0	0	0	0	112.2	F49 Y115	F49-G52 WeakPolarHBondContact CB-O 3.32Å; G52-Y115 WeakPolarHBondContact CA-OH 3.45Å
53	T	93.3	Very high	96.4	Very high	39 Å²	39	61.8 Å²	61.8	24%	0.239	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	8	176.4	56.5	0	0	0	0	112.7	N51 R55 R112 Y115	N51-T53 PolarHBondContact O-N 3.43Å; T53-R55 PolarHBondContact O-N 3.36Å; T53-R112 PolarHBondContact O-NH1 2.99Å; T53-Y115 HydrophobicContact CG2-CD1 3.32Å; T53-Y115 HydrophobicContact CG2-CD2 4.38Å; T53-Y115 HydrophobicContact CG2-CE1 3.8Å; T53-Y115 HydrophobicContact CG2-CG 3.67Å
54	E	93	Very high	96.3	Very high	144 Å²	144	62 Å²	62	67%	0.673	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-50.3	179.7	-173.9	-177	-177.9	0	0	111.3	N51	N51-E54 HydrophobicContact CB-CB 4.31Å; N51-E54 WeakPolarHBondContact CB-OE2 3.37Å; N51-E54 PolarHBondContact ND2-OE2 2.91Å; N51-E54 WeakPolarHBondContact O-CB 3.34Å; N51-E54 PolarHBondContact O-N 3.37Å
55	R	96.1	Very high	96.2	Very high	152 Å²	152	60.5 Å²	60.5	57%	0.574	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.9	118.4	171.5	-176.9	177	-177	140.9	3	110.1	T50 T53 D75	T50-R55 PolarHBondContact N-O 3.24Å; T50-R55 PolarHBondContact O-N 3.1Å; T53-R55 PolarHBondContact O-N 3.36Å; R55-D75 IonicContact NH2-OD2 3.87Å
56	V	97.3	Very high	96	Very high	10 Å²	10	69.9 Å²	69.9	6%	0.061	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	132.9	174.9	-170.5	0	0	0	0	108.5	Y48 F49 L107 C111 R112	Y48-V56 WeakPolarHBondContact O-CA 3.33Å; F49-V56 HydrophobicContact CD1-CB 4.48Å; F49-V56 HydrophobicContact CD1-CG1 3.96Å; F49-V56 HydrophobicContact CD1-CG2 3.83Å; F49-V56 HydrophobicContact CE1-CG1 3.74Å; F49-V56 HydrophobicContact CE1-CG2 4.11Å; F49-V56 HydrophobicContact CZ-CG1 4.49Å; V56-L107 HydrophobicContact CB-CD1 4.02Å; V56-L107 HydrophobicContact CG1-CD1 3.69Å; V56-C111 HydrophobicContact CG1-CB 3.69Å; V56-R112 HydrophobicContact CG2-CG 4.06Å
57	R	98.3	Very high	96	Very high	91 Å²	91	71.9 Å²	71.9	34%	0.343	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	124.8	173.1	179.2	-177.9	173.4	-168.4	2.1	109.6	Y48 V59 D73 S74 D75	Y48-R57 PolarHBondContact N-O 3.08Å; Y48-R57 PolarHBondContact O-N 2.97Å; R57-V59 HydrophobicContact CG-CG2 4.14Å; R57-D73 IonicContact CZ-OD1 3.78Å; R57-D73 IonicContact CZ-OD2 3.94Å; R57-D73 IonicContact NE-OD1 2.64Å; R57-D73 PolarHBondContact NE-OD1 3.49Å; R57-D73 IonicContact NE-OD2 2.78Å; R57-D73 PolarHBondContact NE-OD2 3.32Å; R57-D73 IonicContact NH2-OD1 3.83Å; R57-D73 IonicContact NH2-OD2 3.95Å; R57-D73 PolarHBondContact NH2-OD2 3.48Å; R57-S74 WeakPolarHBondContact CA-OG 3.42Å; R57-D75 IonicContact NE-OD2 2.69Å
58	L	98.5	Very high	96	Very high	4 Å²	4	71.3 Å²	71.3	2%	0.021	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	128.1	173.6	171	64.2	0	0	0	109.2	M46 T60 F72 S74 T103 E106 L107	M46-L58 WeakPolarHBondContact O-CA 3.47Å; L58-T60 HydrophobicContact CD1-CG2 4.01Å; L58-T60 HydrophobicContact CG-CG2 4.27Å; L58-F72 HydrophobicContact CD2-CE1 4.36Å; L58-S74 PolarHBondContact N-OG 3.5Å; L58-S74 PolarHBondContact O-N 2.83Å; L58-S74 PolarHBondContact O-OG 2.89Å; L58-T103 WeakPolarHBondContact CD2-O 3.5Å; L58-E106 HydrophobicContact CD2-CB 3.59Å; L58-L107 HydrophobicContact CB-CB 4.42Å; L58-L107 HydrophobicContact CB-CD1 3.71Å
59	V	98.6	Very high	96.1	Very high	3 Å²	3	68.5 Å²	68.5	2%	0.018	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	117.3	170	-176.9	0	0	0	0	108.9	M46 Y48 R57 R61 R71 F72	M46-V59 HydrophobicContact CB-CB 4.38Å; M46-V59 WeakPolarHBondContact CB-O 3.46Å; M46-V59 PolarHBondContact N-O 3.1Å; M46-V59 PolarHBondContact O-N 3.08Å; Y48-V59 HydrophobicContact CD2-CG2 4.28Å; Y48-V59 HydrophobicContact CE2-CB 4.12Å; Y48-V59 HydrophobicContact CE2-CG2 3.86Å; R57-V59 HydrophobicContact CG-CG2 4.14Å; V59-R61 HydrophobicContact CG1-CG 3.95Å; V59-R71 HydrophobicContact CG1-CG 3.73Å; V59-F72 CarbonylContact C-O 3.52Å; V59-F72 VanDerWaalsContact CA-O 3.27Å; V59-F72 WeakPolarHBondContact CA-O 3.2Å
60	T	98.3	Very high	96.3	Very high	2 Å²	2	65.7 Å²	65.7	1%	0.012	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	129.4	170.2	75.2	0	0	0	0	109.5	F43 K44 L58 R71 F72 T103	F43-T60 HydrophobicContact CE2-CG2 4.34Å; F43-T60 HydrophobicContact CZ-CG2 4.13Å; K44-T60 CarbonylContact O-C 3.57Å; K44-T60 VanDerWaalsContact O-CA 3.3Å; K44-T60 WeakPolarHBondContact O-CA 3.37Å; L58-T60 HydrophobicContact CD1-CG2 4.01Å; L58-T60 HydrophobicContact CG-CG2 4.27Å; T60-R71 CarbonylContact O-C 3.53Å; T60-R71 VanDerWaalsContact O-CA 3.25Å; T60-R71 WeakPolarHBondContact O-CA 3.41Å; T60-R71 WeakPolarHBondContact O-CG 3.46Å; T60-F72 PolarHBondContact N-O 2.89Å; T60-F72 PolarHBondContact O-N 3.27Å; T60-F72 WeakPolarHBondContact OG1-CB 3.38Å; T60-T103 HydrophobicContact CG2-CG2 4.42Å
61	R	98.4	Very high	96.4	Very high	73 Å²	73	64.7 Å²	64.7	28%	0.275	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	131.9	-177.5	-55	-171.9	174.8	-146.1	10.4	110.4	F43 K44 V59 I63 E68	F43-R61 WeakPolarHBondContact CA-O 3.33Å; K44-R61 HydrophobicContact CB-CB 4.31Å; K44-R61 PolarHBondContact N-O 3.47Å; K44-R61 PolarHBondContact O-N 2.94Å; V59-R61 HydrophobicContact CG1-CG 3.95Å; R61-I63 HydrophobicContact CB-CD1 4.24Å; R61-I63 HydrophobicContact CB-CG1 4.36Å; R61-E68 HydrophobicContact CB-CG 4.31Å; R61-E68 WeakPolarHBondContact CD-OE1 3.46Å; R61-E68 VanDerWaalsContact CG-OE1 3.26Å; R61-E68 WeakPolarHBondContact CG-OE1 3.19Å; R61-E68 IonicContact CZ-OE2 3.51Å; R61-E68 IonicContact NE-OE1 2.74Å; R61-E68 IonicContact NE-OE2 3.41Å; R61-E68 IonicContact NH1-OE2 3.87Å; R61-E68 PolarHBondContact NH1-OE2 3.38Å
62	H	97.9	Very high	96.7	Very high	13 Å²	13	58.8 Å²	58.8	6%	0.06	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	117.1	178.6	-61.2	47.2	0	0	0	107.1	Y41 F43 Y69 A70 W93	Y41-H62 PolarHBondContact OH-CD2 2.96Å; Y41-H62 VanDerWaalsContact OH-CD2 3.25Å; F43-H62 AromaticContact CD2-CE1 3.5Å; F43-H62 AromaticContact CD2-ND1 3.84Å; F43-H62 AromaticContact CD2-NE2 3.76Å; F43-H62 AromaticContact CE2-CE1 3.39Å; F43-H62 WeakPolarHBondContact CE2-CE1 3.5Å; F43-H62 AromaticContact CE2-NE2 3.86Å; H62-Y69 HydrophobicContact CB-CD1 4.36Å; H62-Y69 HydrophobicContact CB-CE1 3.63Å; H62-Y69 HydrophobicContact CB-CE2 4.35Å; H62-Y69 WeakPolarHBondContact O-CD1 3.35Å; H62-Y69 PolarHBondContact O-N 3.49Å; H62-A70 HydrophobicContact CB-CB 4.44Å; H62-A70 PolarHBondContact N-O 3.35Å; H62-A70 PolarHBondContact O-N 3.11Å; H62-W93 HydrophobicContact CB-CH2 4.36Å; H62-W93 AromaticContact CD2-CH2 3.02Å; H62-W93 WeakPolarHBondContact CD2-CH2 3.35Å; H62-W93 AromaticContact CD2-CZ2 3.81Å; H62-W93 AromaticContact CD2-CZ3 3.6Å; H62-W93 AromaticContact CG-CH2 3.78Å; H62-W93 AromaticContact NE2-CH2 3.48Å; H62-W93 WeakPolarHBondContact NE2-CH2 3.27Å; H62-W93 AromaticContact NE2-CZ3 3.77Å
63	I	98.3	Very high	97.2	Very high	15 Å²	15	58.2 Å²	58.2	8%	0.077	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	126.6	-166.7	-59.5	157.6	0	0	0	107.9	Q42 K44 R61 E67 E68	Q42-I63 HydrophobicContact CB-CB 4.17Å; Q42-I63 PolarHBondContact N-O 3.46Å; Q42-I63 PolarHBondContact O-N 3.28Å; K44-I63 HydrophobicContact CD-CD1 3.94Å; K44-I63 HydrophobicContact CG-CD1 4.25Å; R61-I63 HydrophobicContact CB-CD1 4.24Å; R61-I63 HydrophobicContact CB-CG1 4.36Å; I63-E67 WeakPolarHBondContact CA-O 3.42Å; I63-E68 HydrophobicContact CG1-CB 3.92Å; I63-E68 HydrophobicContact CG1-CG 4.11Å
64	Y	96.1	Very high	97.4	Very high	116 Å²	116	57.7 Å²	57.7	46%	0.455	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	126.3	171.6	-173.7	-104.4	0	0	0	108.5	F39 Y41 R66 E67	F39-Y64 HydrophobicContact CB-CE2 4.3Å; Y41-Y64 HydrophobicContact CD2-CD2 4.35Å; Y64-R66 PolarHBondContact O-N 3.4Å; Y64-E67 PolarHBondContact N-O 3.46Å; Y64-E67 PolarHBondContact O-N 2.97Å
65	N	94.4	Very high	97.6	Very high	62 Å²	62	55.1 Å²	55.1	33%	0.332	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	-99.7	-166	-63.7	-28.4	0	0	0	111.5	F39 V40 Q42	F39-N65 WeakPolarHBondContact CA-OD1 3.49Å; V40-N65 PolarHBondContact N-OD1 2.9Å; V40-N65 WeakPolarHBondContact O-CA 3.5Å; V40-N65 PolarHBondContact O-N 3.01Å; Q42-N65 PolarHBondContact NE2-O 3.3Å
66	R	94.8	Very high	97.7	Very high	247 Å²	247	51.5 Å²	51.5	93%	0.932	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121.5	5.6	177.7	-62.8	-177.5	177.6	-178.4	0.1	112.8	Y64	Y64-R66 PolarHBondContact O-N 3.4Å
67	E	97.1	Very high	97.7	Very high	113 Å²	113	51.8 Å²	51.8	53%	0.528	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	118.6	-175.4	-167.9	173.9	-170.9	0	0	110.4	I63 Y64 Y69 T83	I63-E67 WeakPolarHBondContact CA-O 3.42Å; Y64-E67 PolarHBondContact N-O 3.46Å; Y64-E67 PolarHBondContact O-N 2.97Å; E67-Y69 PolarHBondContact O-N 3.32Å; E67-T83 HydrophobicContact CG-CG2 3.82Å; E67-T83 WeakPolarHBondContact OE1-CG2 3.3Å
68	E	98.2	Very high	97.7	Very high	25 Å²	25	49.3 Å²	49.3	12%	0.117	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	117.4	173.6	-175.1	179.6	175.7	0	0	109.1	R61 I63 R71 V82 T83	R61-E68 HydrophobicContact CB-CG 4.31Å; R61-E68 WeakPolarHBondContact CD-OE1 3.46Å; R61-E68 VanDerWaalsContact CG-OE1 3.26Å; R61-E68 WeakPolarHBondContact CG-OE1 3.19Å; R61-E68 IonicContact CZ-OE2 3.51Å; R61-E68 IonicContact NE-OE1 2.74Å; R61-E68 IonicContact NE-OE2 3.41Å; R61-E68 IonicContact NH1-OE2 3.87Å; R61-E68 PolarHBondContact NH1-OE2 3.38Å; I63-E68 HydrophobicContact CG1-CB 3.92Å; I63-E68 HydrophobicContact CG1-CG 4.11Å; E68-R71 WeakPolarHBondContact OE1-CB 3.43Å; E68-R71 IonicContact OE1-CZ 3.56Å; E68-R71 VanDerWaalsContact OE1-CZ 3.28Å; E68-R71 IonicContact OE1-NE 2.8Å; E68-R71 PolarHBondContact OE1-NE 2.67Å; E68-R71 IonicContact OE1-NH2 3.81Å; E68-R71 PolarHBondContact OE1-NH2 3.12Å; E68-R71 IonicContact OE2-CZ 2.74Å; E68-R71 IonicContact OE2-NE 3.65Å; E68-R71 IonicContact OE2-NH2 2.76Å; E68-R71 PolarHBondContact OE2-NH2 3.36Å; E68-V82 HydrophobicContact CG-CB 4.46Å; E68-V82 HydrophobicContact CG-CG2 4.11Å; E68-V82 VanDerWaalsContact O-CB 3.31Å; E68-V82 WeakPolarHBondContact O-CB 3.47Å; E68-V82 WeakPolarHBondContact O-CG1 3.42Å; E68-T83 WeakPolarHBondContact O-CG2 3.31Å
69	Y	98.1	Very high	97.7	Very high	31 Å²	31	49.9 Å²	49.9	12%	0.122	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	-30.3	-175.3	72.6	-90.6	0	0	0	112.7	Y41 H62 E67 V82 T83 G86 V89 W93	Y41-Y69 AromaticContact CE2-CE1 3.65Å; Y41-Y69 HydrophobicContact CE2-CE1 3.65Å; Y41-Y69 AromaticContact CE2-CZ 3.95Å; Y41-Y69 WeakPolarHBondContact CE2-OH 3.48Å; Y41-Y69 PolarHBondContact OH-OH 3.01Å; H62-Y69 HydrophobicContact CB-CD1 4.36Å; H62-Y69 HydrophobicContact CB-CE1 3.63Å; H62-Y69 HydrophobicContact CB-CE2 4.35Å; H62-Y69 WeakPolarHBondContact O-CD1 3.35Å; H62-Y69 PolarHBondContact O-N 3.49Å; E67-Y69 PolarHBondContact O-N 3.32Å; Y69-V82 PolarHBondContact O-N 3.18Å; Y69-T83 WeakPolarHBondContact CA-OG1 3.35Å; Y69-T83 WeakPolarHBondContact CB-OG1 3.44Å; Y69-T83 PolarHBondContact O-N 3.22Å; Y69-G86 WeakPolarHBondContact O-CA 3.29Å; Y69-V89 HydrophobicContact CE2-CB 4.18Å; Y69-V89 HydrophobicContact CE2-CG1 4.07Å; Y69-V89 HydrophobicContact CE2-CG2 4.11Å; Y69-W93 HydrophobicContact CE2-CH2 4.45Å
70	A	98.3	Very high	97.7	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	148.1	178.3	0	0	0	0	0	112.1	H62 R80 W93	H62-A70 HydrophobicContact CB-CB 4.44Å; H62-A70 PolarHBondContact N-O 3.35Å; H62-A70 PolarHBondContact O-N 3.11Å; A70-R80 WeakPolarHBondContact CA-O 3.4Å; A70-W93 HydrophobicContact CB-CH2 4.47Å; A70-W93 HydrophobicContact CB-CZ3 3.81Å
71	R	98.4	Very high	97.7	Very high	65 Å²	65	59.2 Å²	59.2	25%	0.245	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	139.7	-177.7	-178.7	-175.6	-65.1	167.3	8.9	111.6	V59 T60 E68 Y79 R80 V82	V59-R71 HydrophobicContact CG1-CG 3.73Å; T60-R71 CarbonylContact O-C 3.53Å; T60-R71 VanDerWaalsContact O-CA 3.25Å; T60-R71 WeakPolarHBondContact O-CA 3.41Å; T60-R71 WeakPolarHBondContact O-CG 3.46Å; E68-R71 WeakPolarHBondContact OE1-CB 3.43Å; E68-R71 IonicContact OE1-CZ 3.56Å; E68-R71 VanDerWaalsContact OE1-CZ 3.28Å; E68-R71 IonicContact OE1-NE 2.8Å; E68-R71 PolarHBondContact OE1-NE 2.67Å; E68-R71 IonicContact OE1-NH2 3.81Å; E68-R71 PolarHBondContact OE1-NH2 3.12Å; E68-R71 IonicContact OE2-CZ 2.74Å; E68-R71 IonicContact OE2-NE 3.65Å; E68-R71 IonicContact OE2-NH2 2.76Å; E68-R71 PolarHBondContact OE2-NH2 3.36Å; R71-Y79 CarbonylContact O-C 3.55Å; R71-Y79 VanDerWaalsContact O-CA 3.31Å; R71-Y79 WeakPolarHBondContact O-CA 3.37Å; R71-R80 PolarHBondContact N-O 3.03Å; R71-R80 PolarHBondContact O-N 3.33Å; R71-V82 HydrophobicContact CB-CG2 3.91Å
72	F	98.6	Very high	97.7	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.009	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	139.4	155.9	178.4	-90.1	0	0	0	109.5	L58 V59 T60 G77 Y79 L100 T103 R104	L58-F72 HydrophobicContact CD2-CE1 4.36Å; V59-F72 CarbonylContact C-O 3.52Å; V59-F72 VanDerWaalsContact CA-O 3.27Å; V59-F72 WeakPolarHBondContact CA-O 3.2Å; T60-F72 PolarHBondContact N-O 2.89Å; T60-F72 PolarHBondContact O-N 3.27Å; T60-F72 WeakPolarHBondContact OG1-CB 3.38Å; F72-G77 VanDerWaalsContact CE2-C 3.5Å; F72-Y79 HydrophobicContact CB-CD1 3.73Å; F72-Y79 HydrophobicContact CB-CE1 3.65Å; F72-Y79 HydrophobicContact CB-CE2 4.41Å; F72-Y79 HydrophobicContact CB-CG 4.21Å; F72-Y79 HydrophobicContact CD2-CD2 4.08Å; F72-Y79 HydrophobicContact CD2-CE2 4.09Å; F72-Y79 HydrophobicContact CD2-CG 4.41Å; F72-L100 HydrophobicContact CD2-CD1 4.31Å; F72-L100 HydrophobicContact CE2-CD1 3.92Å; F72-T103 HydrophobicContact CB-CG2 4.05Å; F72-T103 HydrophobicContact CD1-CG2 3.59Å; F72-T103 HydrophobicContact CD2-CG2 3.83Å; F72-T103 HydrophobicContact CE1-CG2 3.9Å; F72-T103 HydrophobicContact CE2-CG2 4.12Å; F72-T103 HydrophobicContact CG-CG2 3.55Å; F72-T103 HydrophobicContact CZ-CG2 4.16Å; F72-R104 HydrophobicContact CE2-CG 4.11Å; F72-R104 HydrophobicContact CZ-CG 3.81Å
73	D	98.6	Very high	97.6	Very high	15 Å²	15	59.3 Å²	59.3	8%	0.08	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	124.3	174.9	-162.3	-38.3	0	0	0	108.6	R57 D75 V76 G77	R57-D73 IonicContact CZ-OD1 3.78Å; R57-D73 IonicContact CZ-OD2 3.94Å; R57-D73 IonicContact NE-OD1 2.64Å; R57-D73 PolarHBondContact NE-OD1 3.49Å; R57-D73 IonicContact NE-OD2 2.78Å; R57-D73 PolarHBondContact NE-OD2 3.32Å; R57-D73 IonicContact NH2-OD1 3.83Å; R57-D73 IonicContact NH2-OD2 3.95Å; R57-D73 PolarHBondContact NH2-OD2 3.48Å; D73-D75 PolarHBondContact O-N 3.05Å; D73-D75 PolarHBondContact OD1-N 3.48Å; D73-V76 HydrophobicContact CB-CB 4.26Å; D73-V76 HydrophobicContact CB-CG2 4.04Å; D73-V76 CarbonylContact O-C 3.56Å; D73-V76 WeakPolarHBondContact O-CA 3.12Å; D73-V76 PolarHBondContact O-N 3.37Å; D73-G77 PolarHBondContact O-N 3.43Å
74	S	98.3	Very high	97.6	Very high	29 Å²	29	62.9 Å²	62.9	20%	0.203	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-28.8	-177.3	60.3	0	0	0	0	112.9	R57 L58 V76	R57-S74 WeakPolarHBondContact CA-OG 3.42Å; L58-S74 PolarHBondContact N-OG 3.5Å; L58-S74 PolarHBondContact O-N 2.83Å; L58-S74 PolarHBondContact O-OG 2.89Å; S74-V76 PolarHBondContact O-N 3.29Å
75	D	97.8	Very high	97.4	Very high	89 Å²	89	63.4 Å²	63.4	48%	0.476	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-20	176.7	-70.6	0.4	0	0	0	111.6	R55 R57 D73	R55-D75 IonicContact NH2-OD2 3.87Å; R57-D75 IonicContact NE-OD2 2.69Å; D73-D75 PolarHBondContact O-N 3.05Å; D73-D75 PolarHBondContact OD1-N 3.48Å
76	V	98	Very high	97.5	Very high	77 Å²	77	60.4 Å²	60.4	47%	0.467	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-33.1	176.7	-177	0	0	0	0	111.4	D73 S74 V78 R80	D73-V76 HydrophobicContact CB-CB 4.26Å; D73-V76 HydrophobicContact CB-CG2 4.04Å; D73-V76 CarbonylContact O-C 3.56Å; D73-V76 WeakPolarHBondContact O-CA 3.12Å; D73-V76 PolarHBondContact O-N 3.37Å; S74-V76 PolarHBondContact O-N 3.29Å; V76-V78 VanDerWaalsContact C-N 3.31Å; V76-V78 HydrophobicContact CG1-CG2 3.88Å; V76-V78 PolarHBondContact O-N 3.19Å; V76-R80 HydrophobicContact CG1-CG 4.34Å
77	G	97.5	Very high	97.7	Very high	15 Å²	15	56.2 Å²	56.2	16%	0.155	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	7	176	0	0	0	0	0	115.4	F72 D73 R104	F72-G77 VanDerWaalsContact CE2-C 3.5Å; D73-G77 PolarHBondContact O-N 3.43Å; G77-R104 VanDerWaalsContact O-CZ 3.24Å; G77-R104 PolarHBondContact O-NE 3.21Å; G77-R104 PolarHBondContact O-NH2 3.49Å
78	V	98.2	Very high	97.7	Very high	40 Å²	40	54.7 Å²	54.7	24%	0.242	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	161.2	176.8	-65.8	0	0	0	0	111.4	V76 L100	V76-V78 VanDerWaalsContact C-N 3.31Å; V76-V78 HydrophobicContact CG1-CG2 3.88Å; V76-V78 PolarHBondContact O-N 3.19Å; V78-L100 HydrophobicContact CG1-CD1 4.37Å; V78-L100 HydrophobicContact CG1-CD2 4.19Å
79	Y	98.4	Very high	97.6	Very high	15 Å²	15	55.5 Å²	55.5	6%	0.059	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	136.5	170.7	-71.4	-90.9	0	0	0	110.8	R71 F72 W93 N94 V99 L100 T103	R71-Y79 CarbonylContact O-C 3.55Å; R71-Y79 VanDerWaalsContact O-CA 3.31Å; R71-Y79 WeakPolarHBondContact O-CA 3.37Å; F72-Y79 HydrophobicContact CB-CD1 3.73Å; F72-Y79 HydrophobicContact CB-CE1 3.65Å; F72-Y79 HydrophobicContact CB-CE2 4.41Å; F72-Y79 HydrophobicContact CB-CG 4.21Å; F72-Y79 HydrophobicContact CD2-CD2 4.08Å; F72-Y79 HydrophobicContact CD2-CE2 4.09Å; F72-Y79 HydrophobicContact CD2-CG 4.41Å; Y79-W93 HydrophobicContact CD1-CD2 4.36Å; Y79-W93 AromaticContact CD1-CE3 3.33Å; Y79-W93 HydrophobicContact CD1-CE3 3.33Å; Y79-W93 AromaticContact CD1-CZ3 3.82Å; Y79-W93 HydrophobicContact CD1-CZ3 3.82Å; Y79-W93 HydrophobicContact CD2-CB 3.8Å; Y79-W93 HydrophobicContact CD2-CE3 4.41Å; Y79-W93 HydrophobicContact CE1-CD2 4.3Å; Y79-W93 AromaticContact CE1-CE3 3.5Å; Y79-W93 HydrophobicContact CE1-CE3 3.5Å; Y79-W93 AromaticContact CE1-CZ3 3.9Å; Y79-W93 HydrophobicContact CE1-CZ3 3.9Å; Y79-W93 HydrophobicContact CE2-CB 4.07Å; Y79-W93 HydrophobicContact CG-CB 4.14Å; Y79-W93 AromaticContact CG-CE3 3.8Å; Y79-W93 HydrophobicContact CG-CE3 3.8Å; Y79-N94 WeakPolarHBondContact CB-OD1 3.37Å; Y79-N94 PolarHBondContact N-OD1 2.96Å; Y79-N94 PolarHBondContact O-ND2 2.83Å; Y79-V99 HydrophobicContact CE2-CG1 4.44Å; Y79-L100 HydrophobicContact CD2-CD1 4.19Å; Y79-L100 HydrophobicContact CE2-CD1 4.45Å; Y79-T103 HydrophobicContact CE2-CG2 4.32Å; Y79-T103 WeakPolarHBondContact OH-CG2 3Å; Y79-T103 PolarHBondContact OH-OG1 2.81Å
80	R	98.4	Very high	97.6	Very high	164 Å²	164	54.3 Å²	54.3	62%	0.619	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.9	136	174.3	-71.9	-76.9	-174.4	159.9	-0.9	109	A70 R71 V76 V82	A70-R80 WeakPolarHBondContact CA-O 3.4Å; R71-R80 PolarHBondContact N-O 3.03Å; R71-R80 PolarHBondContact O-N 3.33Å; V76-R80 HydrophobicContact CG1-CG 4.34Å; R80-V82 PolarHBondContact O-N 3.27Å
81	A	97.9	Very high	97.5	Very high	37 Å²	37	60.6 Å²	60.6	31%	0.306	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	128.6	166.7	0	0	0	0	0	109.1	G86 R87 A90	A81-G86 VanDerWaalsContact CB-C 3.43Å; A81-R87 HydrophobicContact CB-CB 4.33Å; A81-R87 HydrophobicContact CB-CG 3.77Å; A81-A90 HydrophobicContact CB-CB 4.28Å
82	V	98.1	Very high	97.5	Very high	73 Å²	73	64.1 Å²	64.1	44%	0.442	33%	0.329	S	S	.	.	S	Bend	trans	-88.7	-31.5	172.9	178.4	0	0	0	0	109.6	E68 Y69 R71 R80	E68-V82 HydrophobicContact CG-CB 4.46Å; E68-V82 HydrophobicContact CG-CG2 4.11Å; E68-V82 VanDerWaalsContact O-CB 3.31Å; E68-V82 WeakPolarHBondContact O-CB 3.47Å; E68-V82 WeakPolarHBondContact O-CG1 3.42Å; Y69-V82 PolarHBondContact O-N 3.18Å; R71-V82 HydrophobicContact CB-CG2 3.91Å; R80-V82 PolarHBondContact O-N 3.27Å
83	T	97.2	Very high	97.5	Very high	15 Å²	15	66.2 Å²	66.2	9%	0.092	34%	0.337	C	S	.	.	S	Bend	trans	-123.3	163.2	176.3	67.6	0	0	0	0	111.1	E67 E68 Y69 Q85 G86	E67-T83 HydrophobicContact CG-CG2 3.82Å; E67-T83 WeakPolarHBondContact OE1-CG2 3.3Å; E68-T83 WeakPolarHBondContact O-CG2 3.31Å; Y69-T83 WeakPolarHBondContact CA-OG1 3.35Å; Y69-T83 WeakPolarHBondContact CB-OG1 3.44Å; Y69-T83 PolarHBondContact O-N 3.22Å; T83-Q85 VanDerWaalsContact CB-OE1 3.3Å; T83-Q85 PolarHBondContact O-N 3.45Å; T83-Q85 PolarHBondContact OG1-OE1 3.26Å; T83-Q85 VanDerWaalsContact OG1-OE1 3.13Å; T83-G86 PolarHBondContact O-N 2.97Å; T83-G86 VanDerWaalsContact O-N 3.1Å
84	P	96.7	Very high	97.5	Very high	90 Å²	90	67.9 Å²	67.9	58%	0.584	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-55	-37.1	176.7	-27	36.2	0	0	0	113.8	G86 R87	P84-G86 PolarHBondContact O-N 2.87Å; P84-R87 WeakPolarHBondContact O-CB 3.11Å; P84-R87 WeakPolarHBondContact O-CG 3.41Å; P84-R87 PolarHBondContact O-N 2.95Å
85	Q	92.3	Very high	97.4	Very high	127 Å²	127	70.4 Å²	70.4	59%	0.593	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-65.2	-27.6	-179.5	-60.6	82	-5.5	0	0	112.3	T83 P88	T83-Q85 VanDerWaalsContact CB-OE1 3.3Å; T83-Q85 PolarHBondContact O-N 3.45Å; T83-Q85 PolarHBondContact OG1-OE1 3.26Å; T83-Q85 VanDerWaalsContact OG1-OE1 3.13Å; Q85-P88 WeakPolarHBondContact O-CD 3.35Å
86	G	96.8	Very high	97.4	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-81.5	-7.8	178.7	0	0	0	0	0	115.6	Y69 A81 T83 P84 V89 A90	Y69-G86 WeakPolarHBondContact O-CA 3.29Å; A81-G86 VanDerWaalsContact CB-C 3.43Å; T83-G86 PolarHBondContact O-N 2.97Å; T83-G86 VanDerWaalsContact O-N 3.1Å; P84-G86 PolarHBondContact O-N 2.87Å; G86-V89 PolarHBondContact O-N 3.06Å; G86-A90 WeakPolarHBondContact O-CB 3.42Å; G86-A90 PolarHBondContact O-N 2.92Å
87	R	97.9	Very high	97.4	Very high	159 Å²	159	73.9 Å²	73.9	60%	0.6	37%	0.37	S	S	*	.	H	α-helix	trans	-55.5	-55.9	178.7	-68.8	-177.2	-174.8	-163.9	3.7	113.6	A81 P84 V89 A90 E91	A81-R87 HydrophobicContact CB-CB 4.33Å; A81-R87 HydrophobicContact CB-CG 3.77Å; P84-R87 WeakPolarHBondContact O-CB 3.11Å; P84-R87 WeakPolarHBondContact O-CG 3.41Å; P84-R87 PolarHBondContact O-N 2.95Å; R87-V89 PolarHBondContact O-N 2.84Å; R87-A90 PolarHBondContact O-N 2.82Å; R87-E91 WeakPolarHBondContact O-CG 3.41Å; R87-E91 PolarHBondContact O-N 2.84Å
88	P	97.6	Very high	97.3	Very high	81 Å²	81	81.4 Å²	81.4	53%	0.526	40%	0.401	S	S	.	.	H	α-helix	trans	-59.8	-34.3	-179.7	23.1	-35	0	0	0	112.1	Q85 Y92	Q85-P88 WeakPolarHBondContact O-CD 3.35Å; P88-Y92 VanDerWaalsContact O-CB 3.27Å; P88-Y92 WeakPolarHBondContact O-CB 3.27Å; P88-Y92 PolarHBondContact O-N 2.86Å
89	V	96.1	Very high	97.3	Very high	42 Å²	42	82 Å²	82	26%	0.255	40%	0.404	S	S	.	.	H	α-helix	trans	-70.8	-46.2	-180	-175.6	0	0	0	0	111.5	Y69 G86 R87 Y92 W93	Y69-V89 HydrophobicContact CE2-CB 4.18Å; Y69-V89 HydrophobicContact CE2-CG1 4.07Å; Y69-V89 HydrophobicContact CE2-CG2 4.11Å; G86-V89 PolarHBondContact O-N 3.06Å; R87-V89 PolarHBondContact O-N 2.84Å; V89-Y92 PolarHBondContact O-N 2.9Å; V89-W93 HydrophobicContact CG1-CD2 3.74Å; V89-W93 VanDerWaalsContact CG1-CE2 3.47Å; V89-W93 HydrophobicContact CG1-CE3 3.76Å; V89-W93 HydrophobicContact CG1-CH2 3.18Å; V89-W93 HydrophobicContact CG1-CZ2 3.21Å; V89-W93 HydrophobicContact CG1-CZ3 3.51Å; V89-W93 PolarHBondContact O-N 2.88Å
90	A	97.8	Very high	97.2	Very high	6 Å²	6	81.9 Å²	81.9	5%	0.05	41%	0.405	C	S	.	.	H	α-helix	trans	-64.3	-41.4	178	0	0	0	0	0	111.8	A81 G86 R87 N94	A81-A90 HydrophobicContact CB-CB 4.28Å; G86-A90 WeakPolarHBondContact O-CB 3.42Å; G86-A90 PolarHBondContact O-N 2.92Å; R87-A90 PolarHBondContact O-N 2.82Å; A90-N94 VanDerWaalsContact O-CB 3.29Å; A90-N94 WeakPolarHBondContact O-CB 3.4Å; A90-N94 PolarHBondContact O-N 3.37Å; A90-N94 PolarHBondContact O-ND2 3.49Å
91	E	97.8	Very high	97.2	Very high	132 Å²	132	78.1 Å²	78.1	62%	0.617	39%	0.394	S	S	*	.	H	α-helix	trans	-61.6	-46.3	175.1	-73.4	170.1	-169.7	0	0	111.4	R87 N94 S95	R87-E91 WeakPolarHBondContact O-CG 3.41Å; R87-E91 PolarHBondContact O-N 2.84Å; E91-N94 PolarHBondContact O-N 3.34Å; E91-S95 PolarHBondContact O-N 3.27Å
92	Y	97.6	Very high	97.2	Very high	139 Å²	139	85 Å²	85	55%	0.545	41%	0.412	S	S	.	.	H	α-helix	trans	-61.5	-48.9	177.3	178.7	-105.2	0	0	0	112.5	P88 V89 N94 S95 Q96	P88-Y92 VanDerWaalsContact O-CB 3.27Å; P88-Y92 WeakPolarHBondContact O-CB 3.27Å; P88-Y92 PolarHBondContact O-N 2.86Å; V89-Y92 PolarHBondContact O-N 2.9Å; Y92-N94 VanDerWaalsContact C-N 3.31Å; Y92-N94 PolarHBondContact O-N 3.18Å; Y92-S95 PolarHBondContact O-N 2.89Å; Y92-S95 PolarHBondContact O-OG 3.36Å; Y92-Q96 HydrophobicContact CE1-CG 4.38Å; Y92-Q96 HydrophobicContact CE2-CG 4.38Å; Y92-Q96 WeakPolarHBondContact O-CG 3.45Å; Y92-Q96 PolarHBondContact O-N 3Å
93	W	98.1	Very high	97.2	Very high	45 Å²	45	81.8 Å²	81.8	17%	0.17	39%	0.393	C	S	.	.	H	α-helix	trans	-64.6	-36.4	178.4	-68.1	-27.3	0	0	0	112.7	H62 Y69 A70 Y79 V89 S95 Q96 V99	H62-W93 HydrophobicContact CB-CH2 4.36Å; H62-W93 AromaticContact CD2-CH2 3.02Å; H62-W93 WeakPolarHBondContact CD2-CH2 3.35Å; H62-W93 AromaticContact CD2-CZ2 3.81Å; H62-W93 AromaticContact CD2-CZ3 3.6Å; H62-W93 AromaticContact CG-CH2 3.78Å; H62-W93 AromaticContact NE2-CH2 3.48Å; H62-W93 WeakPolarHBondContact NE2-CH2 3.27Å; H62-W93 AromaticContact NE2-CZ3 3.77Å; Y69-W93 HydrophobicContact CE2-CH2 4.45Å; A70-W93 HydrophobicContact CB-CH2 4.47Å; A70-W93 HydrophobicContact CB-CZ3 3.81Å; Y79-W93 HydrophobicContact CD1-CD2 4.36Å; Y79-W93 AromaticContact CD1-CE3 3.33Å; Y79-W93 HydrophobicContact CD1-CE3 3.33Å; Y79-W93 AromaticContact CD1-CZ3 3.82Å; Y79-W93 HydrophobicContact CD1-CZ3 3.82Å; Y79-W93 HydrophobicContact CD2-CB 3.8Å; Y79-W93 HydrophobicContact CD2-CE3 4.41Å; Y79-W93 HydrophobicContact CE1-CD2 4.3Å; Y79-W93 AromaticContact CE1-CE3 3.5Å; Y79-W93 HydrophobicContact CE1-CE3 3.5Å; Y79-W93 AromaticContact CE1-CZ3 3.9Å; Y79-W93 HydrophobicContact CE1-CZ3 3.9Å; Y79-W93 HydrophobicContact CE2-CB 4.07Å; Y79-W93 HydrophobicContact CG-CB 4.14Å; Y79-W93 AromaticContact CG-CE3 3.8Å; Y79-W93 HydrophobicContact CG-CE3 3.8Å; V89-W93 HydrophobicContact CG1-CD2 3.74Å; V89-W93 VanDerWaalsContact CG1-CE2 3.47Å; V89-W93 HydrophobicContact CG1-CE3 3.76Å; V89-W93 HydrophobicContact CG1-CH2 3.18Å; V89-W93 HydrophobicContact CG1-CZ2 3.21Å; V89-W93 HydrophobicContact CG1-CZ3 3.51Å; V89-W93 PolarHBondContact O-N 2.88Å; W93-S95 VanDerWaalsContact C-N 3.32Å; W93-S95 PolarHBondContact O-N 3.48Å; W93-Q96 PolarHBondContact O-N 3.32Å; W93-V99 HydrophobicContact CB-CG1 4.3Å; W93-V99 HydrophobicContact CG-CG1 4.42Å
94	N	98.4	Very high	97.3	Very high	51 Å²	51	85.3 Å²	85.3	27%	0.273	41%	0.405	S	S	.	.	H	α-helix	trans	-70.5	-27	176.4	-71.9	-30.6	0	0	0	113	Y79 A90 E91 Y92 Q96	Y79-N94 WeakPolarHBondContact CB-OD1 3.37Å; Y79-N94 PolarHBondContact N-OD1 2.96Å; Y79-N94 PolarHBondContact O-ND2 2.83Å; A90-N94 VanDerWaalsContact O-CB 3.29Å; A90-N94 WeakPolarHBondContact O-CB 3.4Å; A90-N94 PolarHBondContact O-N 3.37Å; A90-N94 PolarHBondContact O-ND2 3.49Å; E91-N94 PolarHBondContact O-N 3.34Å; Y92-N94 VanDerWaalsContact C-N 3.31Å; Y92-N94 PolarHBondContact O-N 3.18Å; N94-Q96 VanDerWaalsContact C-N 3.32Å
95	S	97.9	Very high	97.3	Very high	82 Å²	82	83 Å²	83	57%	0.573	39%	0.393	S	S	*	.	H	α-helix	trans	-76	-22.2	175.7	76.2	0	0	0	0	112.8	E91 Y92 W93 K97	E91-S95 PolarHBondContact O-N 3.27Å; Y92-S95 PolarHBondContact O-N 2.89Å; Y92-S95 PolarHBondContact O-OG 3.36Å; W93-S95 VanDerWaalsContact C-N 3.32Å; W93-S95 PolarHBondContact O-N 3.48Å; S95-K97 PolarHBondContact O-N 2.89Å
96	Q	97.7	Very high	97.6	Very high	78 Å²	78	79.1 Å²	79.1	36%	0.364	38%	0.375	S	S	.	.			trans	-87.3	96.5	177.4	-60.7	-58.9	-37.9	0	0	110.4	Y92 W93 N94 E98 V99 L100	Y92-Q96 HydrophobicContact CE1-CG 4.38Å; Y92-Q96 HydrophobicContact CE2-CG 4.38Å; Y92-Q96 WeakPolarHBondContact O-CG 3.45Å; Y92-Q96 PolarHBondContact O-N 3Å; W93-Q96 PolarHBondContact O-N 3.32Å; N94-Q96 VanDerWaalsContact C-N 3.32Å; Q96-E98 VanDerWaalsContact C-N 3.28Å; Q96-E98 PolarHBondContact O-N 2.77Å; Q96-V99 HydrophobicContact CB-CB 3.92Å; Q96-V99 HydrophobicContact CB-CG2 3.69Å; Q96-V99 HydrophobicContact CG-CG2 4.43Å; Q96-V99 PolarHBondContact O-N 2.83Å; Q96-L100 PolarHBondContact O-N 2.84Å; Q96-L100 VanDerWaalsContact O-N 3.1Å
97	K	96.3	Very high	97.6	Very high	161 Å²	161	80.7 Å²	80.7	70%	0.7	38%	0.383	S	S	*	.	H	α-helix	trans	-52.5	-44.1	-177.2	-176.5	176.6	179.3	-178.1	0	112.8	S95 V99 L100 E101	S95-K97 PolarHBondContact O-N 2.89Å; K97-V99 VanDerWaalsContact C-N 3.32Å; K97-V99 PolarHBondContact O-N 3.34Å; K97-L100 PolarHBondContact O-N 2.85Å; K97-E101 HydrophobicContact CG-CG 4.04Å; K97-E101 WeakPolarHBondContact O-CB 3.03Å; K97-E101 VanDerWaalsContact O-CG 3.32Å; K97-E101 WeakPolarHBondContact O-CG 3.41Å; K97-E101 PolarHBondContact O-N 2.86Å
98	E	96.8	Very high	97.6	Very high	172 Å²	172	77.2 Å²	77.2	80%	0.804	38%	0.376	S	S	*	.	H	α-helix	trans	-62.6	-38.8	-179.4	-64.7	-178.7	-179.2	0	0	112.6	Q96 R102	Q96-E98 VanDerWaalsContact C-N 3.28Å; Q96-E98 PolarHBondContact O-N 2.77Å; E98-R102 WeakPolarHBondContact O-CB 3.49Å; E98-R102 PolarHBondContact O-N 2.74Å
99	V	96.7	Very high	97.6	Very high	52 Å²	52	77.6 Å²	77.6	32%	0.315	38%	0.377	S	S	.	.	H	α-helix	trans	-66.2	-52	178.1	176	0	0	0	0	109.8	Y79 W93 Q96 K97 R102 T103	Y79-V99 HydrophobicContact CE2-CG1 4.44Å; W93-V99 HydrophobicContact CB-CG1 4.3Å; W93-V99 HydrophobicContact CG-CG1 4.42Å; Q96-V99 HydrophobicContact CB-CB 3.92Å; Q96-V99 HydrophobicContact CB-CG2 3.69Å; Q96-V99 HydrophobicContact CG-CG2 4.43Å; Q96-V99 PolarHBondContact O-N 2.83Å; K97-V99 VanDerWaalsContact C-N 3.32Å; K97-V99 PolarHBondContact O-N 3.34Å; V99-R102 PolarHBondContact O-N 2.71Å; V99-T103 PolarHBondContact O-N 2.85Å; V99-T103 PolarHBondContact O-OG1 3.28Å; V99-T103 VanDerWaalsContact O-OG1 3.09Å
100	L	97.9	Very high	97.6	Very high	13 Å²	13	78.4 Å²	78.4	7%	0.068	38%	0.382	C	S	.	.	H	α-helix	trans	-64.3	-44.3	-176.3	-179.9	59.1	0	0	0	112.6	F72 V78 Y79 Q96 K97 T103 R104	F72-L100 HydrophobicContact CD2-CD1 4.31Å; F72-L100 HydrophobicContact CE2-CD1 3.92Å; V78-L100 HydrophobicContact CG1-CD1 4.37Å; V78-L100 HydrophobicContact CG1-CD2 4.19Å; Y79-L100 HydrophobicContact CD2-CD1 4.19Å; Y79-L100 HydrophobicContact CE2-CD1 4.45Å; Q96-L100 PolarHBondContact O-N 2.84Å; Q96-L100 VanDerWaalsContact O-N 3.1Å; K97-L100 PolarHBondContact O-N 2.85Å; L100-T103 PolarHBondContact O-N 2.77Å; L100-R104 WeakPolarHBondContact O-CG 3.41Å; L100-R104 PolarHBondContact O-N 3.12Å
101	E	98.1	Very high	97.5	Very high	85 Å²	85	78.1 Å²	78.1	40%	0.397	38%	0.38	S	S	.	.	H	α-helix	trans	-67.5	-37.6	177.7	-67.1	-52.9	146.8	0	0	112.1	K97 T103 R104 A105	K97-E101 HydrophobicContact CG-CG 4.04Å; K97-E101 WeakPolarHBondContact O-CB 3.03Å; K97-E101 VanDerWaalsContact O-CG 3.32Å; K97-E101 WeakPolarHBondContact O-CG 3.41Å; K97-E101 PolarHBondContact O-N 2.86Å; E101-T103 PolarHBondContact O-N 2.75Å; E101-R104 PolarHBondContact O-N 2.82Å; E101-R104 IonicContact OE1-CZ 2.82Å; E101-R104 IonicContact OE1-NH1 3.58Å; E101-R104 PolarHBondContact OE1-NH1 3.44Å; E101-R104 IonicContact OE2-NH1 3.7Å; E101-A105 WeakPolarHBondContact O-CB 3.04Å; E101-A105 PolarHBondContact O-N 3.4Å
102	R	97.8	Very high	97.4	Very high	182 Å²	182	75 Å²	75	69%	0.687	36%	0.362	S	S	*	.	H	α-helix	trans	-59.6	-47.8	173.5	179.8	179.2	175.3	171.9	1.9	111	E98 V99 R104 A105 E106	E98-R102 WeakPolarHBondContact O-CB 3.49Å; E98-R102 PolarHBondContact O-N 2.74Å; V99-R102 PolarHBondContact O-N 2.71Å; R102-R104 VanDerWaalsContact C-N 3.33Å; R102-R104 PolarHBondContact O-N 2.86Å; R102-A105 WeakPolarHBondContact O-CB 3.47Å; R102-A105 PolarHBondContact O-N 3.5Å; R102-A105 VanDerWaalsContact O-N 3.12Å; R102-E106 WeakPolarHBondContact O-CG 3.41Å; R102-E106 PolarHBondContact O-N 2.98Å
103	T	97.8	Very high	97.3	Very high	6 Å²	6	73 Å²	73	4%	0.037	36%	0.358	C	S	.	.	H	α-helix	trans	-65.5	-34.5	179.2	-54.9	0	0	0	0	112.6	L58 T60 F72 Y79 V99 L100 E101 A105 E106	L58-T103 WeakPolarHBondContact CD2-O 3.5Å; T60-T103 HydrophobicContact CG2-CG2 4.42Å; F72-T103 HydrophobicContact CB-CG2 4.05Å; F72-T103 HydrophobicContact CD1-CG2 3.59Å; F72-T103 HydrophobicContact CD2-CG2 3.83Å; F72-T103 HydrophobicContact CE1-CG2 3.9Å; F72-T103 HydrophobicContact CE2-CG2 4.12Å; F72-T103 HydrophobicContact CG-CG2 3.55Å; F72-T103 HydrophobicContact CZ-CG2 4.16Å; Y79-T103 HydrophobicContact CE2-CG2 4.32Å; Y79-T103 WeakPolarHBondContact OH-CG2 3Å; Y79-T103 PolarHBondContact OH-OG1 2.81Å; V99-T103 PolarHBondContact O-N 2.85Å; V99-T103 PolarHBondContact O-OG1 3.28Å; V99-T103 VanDerWaalsContact O-OG1 3.09Å; L100-T103 PolarHBondContact O-N 2.77Å; E101-T103 PolarHBondContact O-N 2.75Å; T103-A105 VanDerWaalsContact C-N 3.34Å; T103-E106 WeakPolarHBondContact O-CB 3.39Å; T103-E106 PolarHBondContact O-N 2.85Å
104	R	98.4	Very high	97	Very high	89 Å²	89	73.5 Å²	73.5	34%	0.336	36%	0.364	S	S	.	.	H	α-helix	trans	-61.2	-44.3	170.6	-73	167.9	178.5	169.7	-2.6	111.4	F72 G77 L100 E101 R102 E106 L107	F72-R104 HydrophobicContact CE2-CG 4.11Å; F72-R104 HydrophobicContact CZ-CG 3.81Å; G77-R104 VanDerWaalsContact O-CZ 3.24Å; G77-R104 PolarHBondContact O-NE 3.21Å; G77-R104 PolarHBondContact O-NH2 3.49Å; L100-R104 WeakPolarHBondContact O-CG 3.41Å; L100-R104 PolarHBondContact O-N 3.12Å; E101-R104 PolarHBondContact O-N 2.82Å; E101-R104 IonicContact OE1-CZ 2.82Å; E101-R104 IonicContact OE1-NH1 3.58Å; E101-R104 PolarHBondContact OE1-NH1 3.44Å; E101-R104 IonicContact OE2-NH1 3.7Å; R102-R104 VanDerWaalsContact C-N 3.33Å; R102-R104 PolarHBondContact O-N 2.86Å; R104-E106 VanDerWaalsContact C-N 3.26Å; R104-E106 PolarHBondContact O-N 3.09Å; R104-L107 WeakPolarHBondContact O-CB 3.41Å; R104-L107 PolarHBondContact O-N 3.45Å
105	A	98.3	Very high	96.8	Very high	42 Å²	42	73.3 Å²	73.3	35%	0.347	36%	0.36	S	S	.	.	H	α-helix	trans	-67.7	-21.7	179.4	0	0	0	0	0	113.6	E101 R102 T103 L107 D108 T109	E101-A105 WeakPolarHBondContact O-CB 3.04Å; E101-A105 PolarHBondContact O-N 3.4Å; R102-A105 WeakPolarHBondContact O-CB 3.47Å; R102-A105 PolarHBondContact O-N 3.5Å; R102-A105 VanDerWaalsContact O-N 3.12Å; T103-A105 VanDerWaalsContact C-N 3.34Å; A105-L107 PolarHBondContact O-N 2.76Å; A105-D108 PolarHBondContact O-N 2.87Å; A105-D108 VanDerWaalsContact O-N 3.12Å; A105-T109 WeakPolarHBondContact O-CB 3.34Å; A105-T109 WeakPolarHBondContact O-CG2 3.4Å; A105-T109 PolarHBondContact O-N 2.88Å; A105-T109 PolarHBondContact O-OG1 3.25Å
106	E	98.2	Very high	96.3	Very high	45 Å²	45	75 Å²	75	21%	0.21	36%	0.359	C	S	.	.	H	α-helix	trans	-60.8	-23.4	175.7	-73.1	172.2	-179.6	0	0	112.7	L58 R102 T103 R104 D108 T109 V110 C111	L58-E106 HydrophobicContact CD2-CB 3.59Å; R102-E106 WeakPolarHBondContact O-CG 3.41Å; R102-E106 PolarHBondContact O-N 2.98Å; T103-E106 WeakPolarHBondContact O-CB 3.39Å; T103-E106 PolarHBondContact O-N 2.85Å; R104-E106 VanDerWaalsContact C-N 3.26Å; R104-E106 PolarHBondContact O-N 3.09Å; E106-D108 VanDerWaalsContact C-N 3.26Å; E106-D108 PolarHBondContact O-N 2.85Å; E106-T109 WeakPolarHBondContact CA-OG1 3.36Å; E106-V110 HydrophobicContact CB-CB 4.35Å; E106-V110 HydrophobicContact CB-CG2 4.03Å; E106-V110 HydrophobicContact CG-CG2 3.95Å; E106-V110 WeakPolarHBondContact O-CA 3.48Å; E106-V110 VanDerWaalsContact O-CB 3.23Å; E106-V110 WeakPolarHBondContact O-CB 3.25Å; E106-V110 PolarHBondContact O-N 3.47Å; E106-C111 PolarHBondContact O-N 3.07Å
107	L	97.8	Very high	95.8	Very high	33 Å²	33	76.5 Å²	76.5	17%	0.173	37%	0.373	C	S	.	.	I	π-helix	trans	-56.2	-43.7	173.2	-176.3	68	0	0	0	111.6	V56 L58 R104 A105 C111 R112	V56-L107 HydrophobicContact CB-CD1 4.02Å; V56-L107 HydrophobicContact CG1-CD1 3.69Å; L58-L107 HydrophobicContact CB-CB 4.42Å; L58-L107 HydrophobicContact CB-CD1 3.71Å; R104-L107 WeakPolarHBondContact O-CB 3.41Å; R104-L107 PolarHBondContact O-N 3.45Å; A105-L107 PolarHBondContact O-N 2.76Å; L107-C111 WeakPolarHBondContact O-CB 3.22Å; L107-C111 PolarHBondContact O-N 3.29Å; L107-R112 PolarHBondContact O-N 3.16Å; L107-R112 VanDerWaalsContact O-N 3.12Å
108	D	97.6	Very high	94.9	Very high	85 Å²	85	70.7 Å²	70.7	46%	0.455	36%	0.359	S	S	.	.	I	π-helix	trans	-93	-49	-178.5	-60.1	-43.9	0	0	0	111	A105 E106 V110 R112 H113	A105-D108 PolarHBondContact O-N 2.87Å; A105-D108 VanDerWaalsContact O-N 3.12Å; E106-D108 VanDerWaalsContact C-N 3.26Å; E106-D108 PolarHBondContact O-N 2.85Å; D108-V110 VanDerWaalsContact C-N 3.31Å; D108-V110 PolarHBondContact O-N 2.02Å; D108-R112 WeakPolarHBondContact OD1-CD 3.43Å; D108-R112 IonicContact OD1-CZ 3.05Å; D108-R112 IonicContact OD1-NE 3.64Å; D108-R112 PolarHBondContact OD1-NE 2.98Å; D108-H113 PolarHBondContact O-N 2.99Å
109	T	96.8	Very high	94.1	Very high	89 Å²	89	67.2 Å²	67.2	55%	0.546	34%	0.339	S	S	.	.	I	π-helix	trans	-70.3	-23.3	-174.7	59	0	0	0	0	114.2	A105 E106 H113	A105-T109 WeakPolarHBondContact O-CB 3.34Å; A105-T109 WeakPolarHBondContact O-CG2 3.4Å; A105-T109 PolarHBondContact O-N 2.88Å; A105-T109 PolarHBondContact O-OG1 3.25Å; E106-T109 WeakPolarHBondContact CA-OG1 3.36Å; T109-H113 VanDerWaalsContact O-CB 3.25Å; T109-H113 WeakPolarHBondContact O-CB 3.44Å
110	V	95.9	Very high	93.1	Very high	59 Å²	59	72.3 Å²	72.3	36%	0.358	35%	0.353	S	S	.	.	I	π-helix	trans	-112	-60.9	176.1	-177.9	0	0	0	0	110.2	E106 D108 N114	E106-V110 HydrophobicContact CB-CB 4.35Å; E106-V110 HydrophobicContact CB-CG2 4.03Å; E106-V110 HydrophobicContact CG-CG2 3.95Å; E106-V110 WeakPolarHBondContact O-CA 3.48Å; E106-V110 VanDerWaalsContact O-CB 3.23Å; E106-V110 WeakPolarHBondContact O-CB 3.25Å; E106-V110 PolarHBondContact O-N 3.47Å; D108-V110 VanDerWaalsContact C-N 3.31Å; D108-V110 PolarHBondContact O-N 2.02Å; V110-N114 WeakPolarHBondContact O-CB 3.46Å; V110-N114 PolarHBondContact O-N 3.01Å; V110-N114 PolarHBondContact O-ND2 3.36Å
111	C	96.5	Very high	92.2	Very high	0 Å²	0	74 Å²	74	0%	0	37%	0.374	C	S	.	.	I	π-helix	trans	-67.2	-57.2	-171.6	-58.3	0	0	0	0	112.4	C47 F49 V56 E106 L107 Y115	C47-C111 HydrophobicContact CB-CB 3.56Å; C47-C111 WeakPolarHBondContact CB-SG 3.35Å; C47-C111 WeakPolarHBondContact SG-CA 3.33Å; C47-C111 WeakPolarHBondContact SG-CB 3.46Å; C47-C111 CovalentContact SG-SG 2.03Å; C47-C111 PolarHBondContact SG-SG 3.4Å; F49-C111 HydrophobicContact CE1-CB 4.11Å; F49-C111 WeakPolarHBondContact CE1-O 3.39Å; F49-C111 HydrophobicContact CZ-CB 3.91Å; F49-C111 VanDerWaalsContact CZ-O 3.29Å; F49-C111 WeakPolarHBondContact CZ-O 3.45Å; V56-C111 HydrophobicContact CG1-CB 3.69Å; E106-C111 PolarHBondContact O-N 3.07Å; L107-C111 WeakPolarHBondContact O-CB 3.22Å; L107-C111 PolarHBondContact O-N 3.29Å; C111-Y115 WeakPolarHBondContact O-CB 3.35Å; C111-Y115 PolarHBondContact O-N 2.89Å
112	R	95.9	Very high	91.4	Very high	66 Å²	66	72.8 Å²	72.8	25%	0.249	37%	0.369	C	S	.	.	I	π-helix	trans	-64.3	-47.1	179.9	-67	-177.3	-169.6	-82.5	-8.3	111.7	T53 V56 L107 D108 N114 Y115 E116	T53-R112 PolarHBondContact O-NH1 2.99Å; V56-R112 HydrophobicContact CG2-CG 4.06Å; L107-R112 PolarHBondContact O-N 3.16Å; L107-R112 VanDerWaalsContact O-N 3.12Å; D108-R112 WeakPolarHBondContact OD1-CD 3.43Å; D108-R112 IonicContact OD1-CZ 3.05Å; D108-R112 IonicContact OD1-NE 3.64Å; D108-R112 PolarHBondContact OD1-NE 2.98Å; R112-N114 PolarHBondContact O-N 2.92Å; R112-Y115 WeakPolarHBondContact O-CB 3.22Å; R112-Y115 PolarHBondContact O-N 2.92Å; R112-Y115 VanDerWaalsContact O-N 3.11Å; R112-E116 WeakPolarHBondContact O-CG 3.26Å; R112-E116 PolarHBondContact O-N 2.87Å
113	H	94.1	Very high	90.8	Very high	97 Å²	97	68 Å²	68	45%	0.449	36%	0.357	S	S	.	.	H	α-helix	trans	-54.4	-51.5	178.3	179.5	71.1	0	0	0	112.4	D108 T109 Y115 E116 V117	D108-H113 PolarHBondContact O-N 2.99Å; T109-H113 VanDerWaalsContact O-CB 3.25Å; T109-H113 WeakPolarHBondContact O-CB 3.44Å; H113-Y115 VanDerWaalsContact C-N 3.28Å; H113-Y115 PolarHBondContact O-N 2.8Å; H113-E116 PolarHBondContact O-N 2.85Å; H113-V117 WeakPolarHBondContact O-CB 3.43Å; H113-V117 WeakPolarHBondContact O-CG2 3.5Å; H113-V117 PolarHBondContact O-N 2.82Å
114	N	93.3	Very high	90.3	Very high	56 Å²	56	73.6 Å²	73.6	30%	0.299	38%	0.382	S	S	.	.	H	α-helix	trans	-66.8	-31.5	179.3	-70.8	-21.7	0	0	0	112.3	V110 R112 G118 Y119	V110-N114 WeakPolarHBondContact O-CB 3.46Å; V110-N114 PolarHBondContact O-N 3.01Å; V110-N114 PolarHBondContact O-ND2 3.36Å; R112-N114 PolarHBondContact O-N 2.92Å; N114-G118 CarbonylContact O-C 3.59Å; N114-G118 WeakPolarHBondContact O-CA 3.41Å; N114-G118 PolarHBondContact O-N 2.96Å; N114-Y119 HydrophobicContact CB-CD2 4.42Å; N114-Y119 HydrophobicContact CB-CE2 3.88Å; N114-Y119 PolarHBondContact O-N 2.96Å
115	Y	92.7	Very high	90	Very high	48 Å²	48	74.4 Å²	74.4	19%	0.188	39%	0.386	C	S	.	.	I	π-helix	trans	-61.8	-48.4	174.2	-173	-78.5	0	0	0	111.7	F49 G52 T53 C111 R112 H113 Y119 R120 L123	F49-Y115 HydrophobicContact CB-CD2 4.25Å; F49-Y115 HydrophobicContact CB-CE2 4.06Å; F49-Y115 AromaticContact CD1-CD2 3.42Å; F49-Y115 HydrophobicContact CD1-CD2 3.42Å; F49-Y115 VanDerWaalsContact CD1-CD2 3.42Å; F49-Y115 HydrophobicContact CD1-CE2 4.02Å; F49-Y115 HydrophobicContact CD1-CG 4.06Å; F49-Y115 AromaticContact CD2-CD2 3.97Å; F49-Y115 HydrophobicContact CD2-CD2 3.97Å; F49-Y115 HydrophobicContact CD2-CE2 4.46Å; F49-Y115 AromaticContact CE1-CD2 3.62Å; F49-Y115 HydrophobicContact CE1-CD2 3.62Å; F49-Y115 AromaticContact CE1-CG 3.95Å; F49-Y115 HydrophobicContact CE1-CG 3.95Å; F49-Y115 HydrophobicContact CE2-CD2 4.13Å; F49-Y115 AromaticContact CG-CD2 3.61Å; F49-Y115 HydrophobicContact CG-CD2 3.61Å; F49-Y115 AromaticContact CG-CE2 3.93Å; F49-Y115 HydrophobicContact CG-CE2 3.93Å; F49-Y115 AromaticContact CZ-CD2 3.97Å; F49-Y115 HydrophobicContact CZ-CD2 3.97Å; F49-Y115 HydrophobicContact CZ-CG 4.42Å; G52-Y115 WeakPolarHBondContact CA-OH 3.45Å; T53-Y115 HydrophobicContact CG2-CD1 3.32Å; T53-Y115 HydrophobicContact CG2-CD2 4.38Å; T53-Y115 HydrophobicContact CG2-CE1 3.8Å; T53-Y115 HydrophobicContact CG2-CG 3.67Å; C111-Y115 WeakPolarHBondContact O-CB 3.35Å; C111-Y115 PolarHBondContact O-N 2.89Å; R112-Y115 WeakPolarHBondContact O-CB 3.22Å; R112-Y115 PolarHBondContact O-N 2.92Å; R112-Y115 VanDerWaalsContact O-N 3.11Å; H113-Y115 VanDerWaalsContact C-N 3.28Å; H113-Y115 PolarHBondContact O-N 2.8Å; Y115-Y119 HydrophobicContact CD2-CD2 4.46Å; Y115-Y119 PolarHBondContact O-N 3.41Å; Y115-R120 PolarHBondContact O-N 2.97Å; Y115-L123 HydrophobicContact CD2-CD1 4.2Å; Y115-L123 HydrophobicContact CE1-CD1 4.08Å; Y115-L123 HydrophobicContact CE2-CD1 3.39Å; Y115-L123 WeakPolarHBondContact OH-CD1 3.4Å
116	E	88.4	Confident	89.9	Confident	117 Å²	117	78.1 Å²	78.1	55%	0.547	39%	0.39	S	S	.	.	I	π-helix	trans	-69.4	-42	-176.9	-70.5	174.2	-175.6	0	0	112.5	R112 H113	R112-E116 WeakPolarHBondContact O-CG 3.26Å; R112-E116 PolarHBondContact O-N 2.87Å; H113-E116 PolarHBondContact O-N 2.85Å
117	V	86.8	Confident	89.8	Confident	109 Å²	109	77.9 Å²	77.9	66%	0.661	39%	0.392	S	S	*	.	I	π-helix	trans	-87.9	-45.5	-174.6	179.9	0	0	0	0	112.4	H113	H113-V117 WeakPolarHBondContact O-CB 3.43Å; H113-V117 WeakPolarHBondContact O-CG2 3.5Å; H113-V117 PolarHBondContact O-N 2.82Å
118	G	76.9	Confident	89.8	Confident	40 Å²	40	82.1 Å²	82.1	41%	0.412	41%	0.411	S	S	.	.	I	π-helix	trans	-105.2	-48.2	-169.9	0	0	0	0	0	114.1	N114	N114-G118 CarbonylContact O-C 3.59Å; N114-G118 WeakPolarHBondContact O-CA 3.41Å; N114-G118 PolarHBondContact O-N 2.96Å
119	Y	79.9	Confident	89.9	Confident	98 Å²	98	78.4 Å²	78.4	38%	0.384	39%	0.392	S	S	.	.	I	π-helix	trans	-78.4	-24	-171.6	-53.8	-36.8	0	0	0	113.4	F49 N114 Y115 G121 I122 L123	F49-Y119 HydrophobicContact CE2-CD2 4.26Å; F49-Y119 HydrophobicContact CE2-CE2 4.24Å; F49-Y119 HydrophobicContact CZ-CD2 4.39Å; F49-Y119 HydrophobicContact CZ-CE2 4.38Å; N114-Y119 HydrophobicContact CB-CD2 4.42Å; N114-Y119 HydrophobicContact CB-CE2 3.88Å; N114-Y119 PolarHBondContact O-N 2.96Å; Y115-Y119 HydrophobicContact CD2-CD2 4.46Å; Y115-Y119 PolarHBondContact O-N 3.41Å; Y119-G121 VanDerWaalsContact C-N 3.27Å; Y119-G121 PolarHBondContact O-N 2.96Å; Y119-I122 HydrophobicContact CD1-CD1 4.12Å; Y119-I122 CarbonylContact O-C 3.51Å; Y119-I122 WeakPolarHBondContact O-CA 3.45Å; Y119-I122 WeakPolarHBondContact O-CB 3.1Å; Y119-I122 PolarHBondContact O-N 3.16Å; Y119-L123 WeakPolarHBondContact O-CB 3.33Å; Y119-L123 VanDerWaalsContact O-CG 3.23Å; Y119-L123 WeakPolarHBondContact O-CG 3.29Å; Y119-L123 PolarHBondContact O-N 2.89Å
120	R	76.8	Confident	90	Very high	159 Å²	159	77.8 Å²	77.8	60%	0.6	39%	0.388	S	S	*	.	H	α-helix	trans	-52.5	-44.1	177.6	-168.9	177.7	-177.4	176.3	1.7	112.7	Y115 L123 Q124	Y115-R120 PolarHBondContact O-N 2.97Å; R120-L123 PolarHBondContact O-N 2.93Å; R120-Q124 WeakPolarHBondContact O-CG 3.34Å; R120-Q124 PolarHBondContact O-N 2.9Å; R120-Q124 VanDerWaalsContact O-N 3.13Å
121	G	79.2	Confident	90.1	Very high	50 Å²	50	75.9 Å²	75.9	52%	0.515	38%	0.376	S	S	.	.	H	α-helix	trans	-65.6	-39.2	175.5	0	0	0	0	0	113	Y119 Q124 R125	Y119-G121 VanDerWaalsContact C-N 3.27Å; Y119-G121 PolarHBondContact O-N 2.96Å; G121-Q124 PolarHBondContact O-N 3.24Å; G121-R125 PolarHBondContact O-N 2.82Å; G121-R125 VanDerWaalsContact O-N 3.14Å
122	I	80.8	Confident	90.1	Very high	59 Å²	59	79.3 Å²	79.3	30%	0.303	40%	0.397	S	S	.	.	H	α-helix	trans	-67.2	-39.8	177.4	-58.3	-177.1	0	0	0	111.4	Y119 Q124 R125 W185	Y119-I122 HydrophobicContact CD1-CD1 4.12Å; Y119-I122 CarbonylContact O-C 3.51Å; Y119-I122 WeakPolarHBondContact O-CA 3.45Å; Y119-I122 WeakPolarHBondContact O-CB 3.1Å; Y119-I122 PolarHBondContact O-N 3.16Å; I122-Q124 VanDerWaalsContact C-N 3.28Å; I122-Q124 PolarHBondContact O-N 2.76Å; I122-R125 WeakPolarHBondContact O-CB 3.37Å; I122-R125 PolarHBondContact O-N 3.06Å; I122-R125 VanDerWaalsContact O-N 3.16Å; I122-W185 HydrophobicContact CD1-CH2 4.24Å; I122-W185 HydrophobicContact CG2-CE3 4.28Å; I122-W185 HydrophobicContact CG2-CH2 3.94Å; I122-W185 HydrophobicContact CG2-CZ3 3.41Å; I122-W185 VanDerWaalsContact CG2-CZ3 3.41Å
123	L	84.7	Confident	90.1	Very high	80 Å²	80	77.4 Å²	77.4	42%	0.419	39%	0.392	S	S	.	.	H	α-helix	trans	-69	-29.4	178.8	-67.6	169.3	0	0	0	112.3	Y115 Y119 R120 R125 R126	Y115-L123 HydrophobicContact CD2-CD1 4.2Å; Y115-L123 HydrophobicContact CE1-CD1 4.08Å; Y115-L123 HydrophobicContact CE2-CD1 3.39Å; Y115-L123 WeakPolarHBondContact OH-CD1 3.4Å; Y119-L123 WeakPolarHBondContact O-CB 3.33Å; Y119-L123 VanDerWaalsContact O-CG 3.23Å; Y119-L123 WeakPolarHBondContact O-CG 3.29Å; Y119-L123 PolarHBondContact O-N 2.89Å; R120-L123 PolarHBondContact O-N 2.93Å; L123-R125 VanDerWaalsContact C-N 3.34Å; L123-R126 PolarHBondContact O-NH1 3.23Å
124	Q	87.6	Confident	90	Very high	124 Å²	124	75.1 Å²	75.1	58%	0.579	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-6.5	174.1	-70	177.7	-11.6	0	0	113.2	R120 G121 I122 R126	R120-Q124 WeakPolarHBondContact O-CG 3.34Å; R120-Q124 PolarHBondContact O-N 2.9Å; R120-Q124 VanDerWaalsContact O-N 3.13Å; G121-Q124 PolarHBondContact O-N 3.24Å; I122-Q124 VanDerWaalsContact C-N 3.28Å; I122-Q124 PolarHBondContact O-N 2.76Å; Q124-R126 PolarHBondContact O-N 3.34Å
125	R	91.8	Very high	89.8	Confident	107 Å²	107	76.5 Å²	76.5	40%	0.404	40%	0.399	S	S	.	.			trans	-56.6	128.3	176	-176	179.3	176.7	85	-1.7	109.6	G121 I122 L123 V127 Y155	G121-R125 PolarHBondContact O-N 2.82Å; G121-R125 VanDerWaalsContact O-N 3.14Å; I122-R125 WeakPolarHBondContact O-CB 3.37Å; I122-R125 PolarHBondContact O-N 3.06Å; I122-R125 VanDerWaalsContact O-N 3.16Å; L123-R125 VanDerWaalsContact C-N 3.34Å; R125-V127 HydrophobicContact CG-CG2 4.31Å; R125-Y155 HydrophobicContact CB-CD1 3.93Å; R125-Y155 HydrophobicContact CB-CE1 3.91Å; R125-Y155 HydrophobicContact CG-CD1 3.85Å; R125-Y155 HydrophobicContact CG-CE1 4.25Å; R125-Y155 WeakPolarHBondContact O-CD1 3.4Å
126	R	95.6	Very high	89.2	Confident	119 Å²	119	76.4 Å²	76.4	45%	0.449	41%	0.405	S	S	.	.			trans	-132.7	128.6	175.2	-66.4	-60.2	177.7	-89.4	-2.4	107.5	L123 Q124 Y155	L123-R126 PolarHBondContact O-NH1 3.23Å; Q124-R126 PolarHBondContact O-N 3.34Å; R126-Y155 CarbonylContact C-O 3.5Å; R126-Y155 WeakPolarHBondContact CA-O 3.16Å
127	V	97.2	Very high	88.2	Confident	40 Å²	40	79.8 Å²	79.8	24%	0.242	41%	0.413	C	S	.	.	B	Isolated β-bridge	trans	-130.4	124.3	173.9	-171.1	0	0	0	0	106.9	R125 D153 F154 Y155 H209	R125-V127 HydrophobicContact CG-CG2 4.31Å; V127-D153 WeakPolarHBondContact CG1-O 3.44Å; V127-F154 WeakPolarHBondContact O-CA 3.27Å; V127-Y155 PolarHBondContact N-O 3.28Å; V127-Y155 PolarHBondContact O-N 2.66Å; V127-Y155 VanDerWaalsContact O-N 3.15Å; V127-H209 PolarHBondContact O-CE1 2.97Å
128	E	98.1	Very high	86.7	Confident	122 Å²	122	77.2 Å²	77.2	57%	0.57	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-71.1	139.4	-178.5	-64.3	-176.3	173.6	0	0	111.5	S211 L212	E128-S211 VanDerWaalsContact CA-OG 3.27Å; E128-S211 WeakPolarHBondContact CA-OG 3.39Å; E128-S211 WeakPolarHBondContact CG-OG 3.44Å; E128-L212 HydrophobicContact CB-CD2 4.04Å; E128-L212 HydrophobicContact CG-CD2 3.76Å
129	P	98.4	Very high	85.4	Confident	8 Å²	8	84.6 Å²	84.6	5%	0.052	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-70	145.1	176.7	24.9	-30.2	0	0	0	112.2	V131 V151 T152 F154 V207 H209 L212 I216	P129-V131 HydrophobicContact CB-CG2 4.38Å; P129-V151 HydrophobicContact CB-CG1 3.49Å; P129-V151 VanDerWaalsContact CB-CG1 3.49Å; P129-V151 HydrophobicContact CG-CG1 4.37Å; P129-T152 WeakPolarHBondContact CA-O 3.48Å; P129-F154 HydrophobicContact CB-CB 3.76Å; P129-F154 HydrophobicContact CB-CD1 4.16Å; P129-F154 HydrophobicContact CB-CG 4.26Å; P129-F154 HydrophobicContact CG-CB 4.43Å; P129-V207 HydrophobicContact CG-CG1 4.01Å; P129-H209 HydrophobicContact CG-CB 4.23Å; P129-L212 HydrophobicContact CG-CD1 4.11Å; P129-I216 HydrophobicContact CG-CD1 4.22Å
130	T	98.3	Very high	84.1	Confident	75 Å²	75	84.7 Å²	84.7	46%	0.46	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	128.3	160.2	-60.1	0	0	0	0	108.8	V151 T152	T130-V151 CarbonylContact O-C 3.56Å; T130-V151 WeakPolarHBondContact O-CA 3.49Å; T130-T152 PolarHBondContact N-O 2.63Å; T130-T152 PolarHBondContact O-N 2.89Å
131	V	98.5	Very high	82.9	Confident	20 Å²	20	81.8 Å²	81.8	12%	0.121	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	126.2	-175.8	-173.3	0	0	0	0	109.6	P129 S150 V151 V207 I216 V218	P129-V131 HydrophobicContact CB-CG2 4.38Å; V131-S150 WeakPolarHBondContact CA-O 3.39Å; V131-V151 HydrophobicContact CG1-CG2 4.45Å; V131-V151 HydrophobicContact CG2-CG1 4.26Å; V131-V207 HydrophobicContact CG1-CG2 3.98Å; V131-V207 HydrophobicContact CG2-CB 4.15Å; V131-V207 HydrophobicContact CG2-CG1 4.38Å; V131-V207 HydrophobicContact CG2-CG2 3.75Å; V131-I216 HydrophobicContact CB-CG2 4.06Å; V131-I216 HydrophobicContact CG2-CB 4.33Å; V131-I216 HydrophobicContact CG2-CD1 4.25Å; V131-I216 HydrophobicContact CG2-CG2 3.82Å; V131-V218 HydrophobicContact CB-CG2 3.79Å; V131-V218 HydrophobicContact CG1-CB 4.2Å; V131-V218 HydrophobicContact CG1-CG2 3.59Å
132	T	97.4	Very high	81.4	Confident	71 Å²	71	86.1 Å²	86.1	44%	0.436	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	144.6	175.6	58.2	0	0	0	0	110.6	C149 S150	T132-C149 CarbonylContact O-C 3.59Å; T132-C149 WeakPolarHBondContact O-CA 3.43Å; T132-S150 PolarHBondContact N-O 3.22Å; T132-S150 PolarHBondContact O-N 2.89Å
133	I	95.6	Very high	79.9	Confident	26 Å²	26	91.2 Å²	91.2	13%	0.133	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	127	172	-61.4	174	0	0	0	108.7	L147 V148 W163 C205 V218 W220	I133-L147 HydrophobicContact CG2-CD2 4.12Å; I133-V148 WeakPolarHBondContact CA-O 3.33Å; I133-W163 HydrophobicContact CD1-CH2 3.85Å; I133-W163 HydrophobicContact CD1-CZ3 3.84Å; I133-W163 HydrophobicContact CG1-CH2 3.96Å; I133-W163 HydrophobicContact CG1-CZ3 4.45Å; I133-W163 HydrophobicContact CG2-CH2 3.86Å; I133-C205 HydrophobicContact CD1-CB 3.73Å; I133-C205 HydrophobicContact CG1-CB 3.99Å; I133-V218 HydrophobicContact CD1-CB 4.06Å; I133-V218 HydrophobicContact CD1-CG1 3.9Å; I133-V218 WeakPolarHBondContact CD1-O 3.46Å; I133-V218 HydrophobicContact CG1-CB 4.31Å; I133-V218 HydrophobicContact CG1-CG1 3.96Å; I133-W220 HydrophobicContact CB-CB 4.2Å; I133-W220 HydrophobicContact CD1-CB 4.1Å; I133-W220 HydrophobicContact CG2-CB 3.64Å; I133-W220 HydrophobicContact CG2-CG 3.93Å
134	S	91.5	Very high	78.5	Confident	49 Å²	49	90.8 Å²	90.8	34%	0.343	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	139.7	173.9	57.2	0	0	0	0	111.3	V148	S134-V148 PolarHBondContact N-O 3.23Å; S134-V148 PolarHBondContact O-N 3.16Å
135	P	89.8	Confident	78.1	Confident	85 Å²	85	88 Å²	88	55%	0.552	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.9	137.2	167.2	30.6	-32.1	0	0	0	109.5	L146 L147	P135-L146 WeakPolarHBondContact CA-O 3.18Å; P135-L147 HydrophobicContact CB-CD2 4.29Å
136	S	80.4	Confident	78	Confident	46 Å²	46	84.4 Å²	84.4	32%	0.322	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	128.4	172.2	-176.3	0	0	0	0	109.6	L146	S136-L146 PolarHBondContact N-O 2.85Å; S136-L146 PolarHBondContact O-N 3.25Å
137	R	67.3	Low	77.8	Confident	188 Å²	188	78.8 Å²	78.8	71%	0.709	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.2	111	169.8	-68.6	-176.2	-174.6	-167.8	-3.4	107.3	E225	R137-E225 IonicContact CZ-OE1 3.61Å; R137-E225 IonicContact NH2-OE1 3.93Å; R137-E225 PolarHBondContact NH2-OE1 2.96Å
138	T	54.8	Low	77.8	Confident	55 Å²	55	77.7 Å²	77.7	34%	0.337	42%	0.417	S	S	.	.			trans	-90.3	104.8	170.5	14.9	0	0	0	0	108.6	A140 L141 L146	T138-A140 PolarHBondContact O-N 2.91Å; T138-A140 VanDerWaalsContact O-N 3.1Å; T138-L141 PolarHBondContact O-N 3Å; T138-L141 VanDerWaalsContact O-N 3.17Å; T138-L146 WeakPolarHBondContact OG1-CD1 3.34Å
139	E	50.6	Low	77.8	Confident	195 Å²	195	71.9 Å²	71.9	91%	0.911	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-23.6	178.1	-69.2	-177.7	160.7	0	0	113.1
140	A	51.3	Low	77.7	Confident	100 Å²	100	72.5 Å²	72.5	83%	0.826	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-16.3	-178.9	0	0	0	0	0	114.6	T138	T138-A140 PolarHBondContact O-N 2.91Å; T138-A140 VanDerWaalsContact O-N 3.1Å
141	L	51.2	Low	77.8	Confident	99 Å²	99	69 Å²	69	52%	0.518	37%	0.373	S	S	.	.	S	Bend	trans	-122.3	97.1	-175.6	-86.6	156.7	0	0	0	108.3	T138 H143	T138-L141 PolarHBondContact O-N 3Å; T138-L141 VanDerWaalsContact O-N 3.17Å; L141-H143 PolarHBondContact O-N 2.73Å
142	N	47.8	Very low	77.8	Confident	141 Å²	141	69.4 Å²	69.4	75%	0.754	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.3	96.3	176.4	-82.1	-35.3	0	0	0	111.9
143	H	50.9	Low	77.8	Confident	165 Å²	165	69.3 Å²	69.3	76%	0.764	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.7	15.5	159.6	-52	37.8	0	0	0	118.7	L141 N145	L141-H143 PolarHBondContact O-N 2.73Å; H143-N145 PolarHBondContact O-N 2.98Å
144	H	55	Low	77.9	Confident	71 Å²	71	68 Å²	68	33%	0.329	37%	0.366	S	S	.	.			trans	-90.1	106.6	172	-61.5	-63.1	0	0	0	110.8	L146 E194	H144-L146 PolarHBondContact O-N 3.09Å; H144-E194 HydrophobicContact CB-CG 4.09Å; H144-E194 IonicContact CE1-OE1 3.67Å; H144-E194 PolarHBondContact CE1-OE1 3.34Å; H144-E194 IonicContact CG-OE1 3.45Å; H144-E194 IonicContact ND1-OE1 2.65Å; H144-E194 PolarHBondContact ND1-OE1 2.95Å; H144-E194 IonicContact ND1-OE2 3.44Å
145	N	78.8	Confident	78.1	Confident	65 Å²	65	67.3 Å²	67.3	35%	0.348	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	111.7	166.4	-65.4	-50.7	0	0	0	107.1	H143 M195 P197	H143-N145 PolarHBondContact O-N 2.98Å; N145-M195 HydrophobicContact CB-CE 3.67Å; N145-M195 HydrophobicContact CB-CG 4.48Å; N145-M195 WeakPolarHBondContact CB-O 3.23Å; N145-M195 HydrophobicContact CB-SD 3.55Å; N145-M195 VanDerWaalsContact CB-SD 3.55Å; N145-M195 WeakPolarHBondContact O-CG 3.32Å; N145-M195 PolarHBondContact O-N 3.24Å; N145-P197 VanDerWaalsContact ND2-CD 3.33Å; N145-P197 WeakPolarHBondContact ND2-CD 3.49Å
146	L	88.6	Confident	78.5	Confident	33 Å²	33	64.6 Å²	64.6	17%	0.173	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	134.3	177.7	-71.3	164.1	0	0	0	109.6	P135 S136 T138 H144 L193 E194	P135-L146 WeakPolarHBondContact CA-O 3.18Å; S136-L146 PolarHBondContact N-O 2.85Å; S136-L146 PolarHBondContact O-N 3.25Å; T138-L146 WeakPolarHBondContact OG1-CD1 3.34Å; H144-L146 PolarHBondContact O-N 3.09Å; L146-L193 WeakPolarHBondContact CA-O 3.19Å; L146-E194 HydrophobicContact CD2-CB 4.14Å
147	L	92.8	Very high	79.2	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	134.2	160.3	-71	175.4	0	0	0	108.9	I133 P135 W163 M192 L193 M195 Y203 W220	I133-L147 HydrophobicContact CG2-CD2 4.12Å; P135-L147 HydrophobicContact CB-CD2 4.29Å; L147-W163 HydrophobicContact CB-CH2 3.8Å; L147-W163 HydrophobicContact CB-CZ2 4.01Å; L147-W163 HydrophobicContact CD1-CH2 4.41Å; L147-W163 HydrophobicContact CD1-CZ3 4.44Å; L147-M192 CarbonylContact O-C 3.55Å; L147-M192 VanDerWaalsContact O-CA 3.27Å; L147-M192 WeakPolarHBondContact O-CA 3.46Å; L147-L193 PolarHBondContact N-O 3.38Å; L147-L193 PolarHBondContact O-N 2.71Å; L147-M195 HydrophobicContact CD1-CE 4.12Å; L147-M195 HydrophobicContact CD1-CG 4.1Å; L147-M195 HydrophobicContact CD2-CE 3.89Å; L147-M195 HydrophobicContact CG-CE 3.64Å; L147-M195 HydrophobicContact CG-CG 3.99Å; L147-Y203 HydrophobicContact CD1-CD1 3.92Å; L147-Y203 HydrophobicContact CD1-CD2 3.88Å; L147-Y203 HydrophobicContact CD1-CG 3.53Å; L147-W220 HydrophobicContact CD1-CD2 4.14Å; L147-W220 HydrophobicContact CD1-CE3 3.61Å; L147-W220 HydrophobicContact CD1-CZ3 4Å; L147-W220 HydrophobicContact CD2-CD2 3.64Å; L147-W220 HydrophobicContact CD2-CE3 3.83Å; L147-W220 HydrophobicContact CD2-CG 4.09Å; L147-W220 HydrophobicContact CD2-CH2 4.24Å; L147-W220 HydrophobicContact CD2-CZ2 4.08Å; L147-W220 HydrophobicContact CD2-CZ3 4.12Å; L147-W220 HydrophobicContact CG-CE3 4.34Å
148	V	96.1	Very high	80.6	Confident	17 Å²	17	61.9 Å²	61.9	10%	0.103	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	117.1	177.9	-171.6	0	0	0	0	108	I133 S134 L190 M192	I133-V148 WeakPolarHBondContact CA-O 3.33Å; S134-V148 PolarHBondContact N-O 3.23Å; S134-V148 PolarHBondContact O-N 3.16Å; V148-L190 HydrophobicContact CG1-CB 4.31Å; V148-L190 HydrophobicContact CG1-CD2 4.35Å; V148-M192 HydrophobicContact CG1-CG 4.21Å; V148-M192 HydrophobicContact CG2-CG 4.15Å
149	C	97.8	Very high	82.6	Confident	0 Å²	0	61 Å²	61	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	106.6	165.6	-175.7	0	0	0	0	107.8	T132 W163 V191 C205	T132-C149 CarbonylContact O-C 3.59Å; T132-C149 WeakPolarHBondContact O-CA 3.43Å; C149-W163 HydrophobicContact CB-CH2 4.04Å; C149-W163 HydrophobicContact CB-CZ2 3.47Å; C149-W163 VanDerWaalsContact CB-CZ2 3.47Å; C149-V191 PolarHBondContact N-O 2.87Å; C149-V191 PolarHBondContact O-N 2.9Å; C149-C205 HydrophobicContact CB-CB 3.69Å; C149-C205 WeakPolarHBondContact CB-SG 3.3Å; C149-C205 WeakPolarHBondContact SG-CB 3.04Å; C149-C205 CovalentContact SG-SG 2.02Å; C149-C205 PolarHBondContact SG-SG 2.77Å
150	S	98.1	Very high	84.9	Confident	22 Å²	22	56.1 Å²	56.1	15%	0.154	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	115.9	175.8	-52.9	0	0	0	0	108.6	V131 T132 L190	V131-S150 WeakPolarHBondContact CA-O 3.39Å; T132-S150 PolarHBondContact N-O 3.22Å; T132-S150 PolarHBondContact O-N 2.89Å; S150-L190 WeakPolarHBondContact OG-CD2 3.46Å
151	V	98.6	Very high	87.1	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	110.8	178	-169.7	0	0	0	0	107.7	P129 T130 V131 F154 I159 V161 Q188 I189 V207	P129-V151 HydrophobicContact CB-CG1 3.49Å; P129-V151 VanDerWaalsContact CB-CG1 3.49Å; P129-V151 HydrophobicContact CG-CG1 4.37Å; T130-V151 CarbonylContact O-C 3.56Å; T130-V151 WeakPolarHBondContact O-CA 3.49Å; V131-V151 HydrophobicContact CG1-CG2 4.45Å; V131-V151 HydrophobicContact CG2-CG1 4.26Å; V151-F154 HydrophobicContact CB-CE1 4.42Å; V151-F154 HydrophobicContact CG1-CD1 3.98Å; V151-F154 HydrophobicContact CG1-CE1 4.01Å; V151-F154 WeakPolarHBondContact O-CE1 3.43Å; V151-I159 HydrophobicContact CG1-CD1 3.54Å; V151-V161 HydrophobicContact CG2-CG1 4.28Å; V151-V161 HydrophobicContact CG2-CG2 4.01Å; V151-Q188 CarbonylContact O-C 3.57Å; V151-Q188 VanDerWaalsContact O-CA 3.25Å; V151-Q188 WeakPolarHBondContact O-CA 3.47Å; V151-I189 HydrophobicContact CB-CG2 3.89Å; V151-I189 HydrophobicContact CG2-CG2 4.44Å; V151-I189 PolarHBondContact N-O 2.96Å; V151-I189 PolarHBondContact O-N 3.37Å; V151-V207 HydrophobicContact CG1-CG1 4.1Å; V151-V207 HydrophobicContact CG2-CG2 3.95Å
152	T	98.4	Very high	89.4	Confident	29 Å²	29	49.2 Å²	49.2	18%	0.178	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	165	-169.8	65.3	0	0	0	0	112.4	P129 T130 F154 Q188	P129-T152 WeakPolarHBondContact CA-O 3.48Å; T130-T152 PolarHBondContact N-O 2.63Å; T130-T152 PolarHBondContact O-N 2.89Å; T152-F154 VanDerWaalsContact C-N 3.3Å; T152-F154 PolarHBondContact O-N 3.23Å; T152-Q188 HydrophobicContact CG2-CB 4.1Å
153	D	97.8	Very high	91.8	Very high	69 Å²	69	42.6 Å²	42.6	37%	0.369	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	61.8	29.8	166	-48.3	-53.2	0	0	0	115.3	V127 F187	V127-D153 WeakPolarHBondContact CG1-O 3.44Å; D153-F187 PolarHBondContact N-O 3.13Å; D153-F187 VanDerWaalsContact N-O 3.09Å
154	F	98.1	Very high	94	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	157.2	-177.3	64.9	-90.4	0	0	0	114.1	V127 P129 V151 T152 P156 I159 L179 T186 F187 I189 H209	V127-F154 WeakPolarHBondContact O-CA 3.27Å; P129-F154 HydrophobicContact CB-CB 3.76Å; P129-F154 HydrophobicContact CB-CD1 4.16Å; P129-F154 HydrophobicContact CB-CG 4.26Å; P129-F154 HydrophobicContact CG-CB 4.43Å; V151-F154 HydrophobicContact CB-CE1 4.42Å; V151-F154 HydrophobicContact CG1-CD1 3.98Å; V151-F154 HydrophobicContact CG1-CE1 4.01Å; V151-F154 WeakPolarHBondContact O-CE1 3.43Å; T152-F154 VanDerWaalsContact C-N 3.3Å; T152-F154 PolarHBondContact O-N 3.23Å; F154-P156 WeakPolarHBondContact CD2-O 3.44Å; F154-I159 HydrophobicContact CD1-CD1 3.92Å; F154-I159 HydrophobicContact CD2-CB 4.45Å; F154-I159 HydrophobicContact CD2-CD1 3.87Å; F154-I159 HydrophobicContact CE1-CD1 3.75Å; F154-I159 HydrophobicContact CE2-CB 3.85Å; F154-I159 HydrophobicContact CE2-CD1 3.72Å; F154-I159 HydrophobicContact CE2-CG1 4.4Å; F154-I159 HydrophobicContact CE2-CG2 3.83Å; F154-I159 HydrophobicContact CG-CD1 3.98Å; F154-I159 HydrophobicContact CZ-CB 4.22Å; F154-I159 HydrophobicContact CZ-CD1 3.66Å; F154-I159 HydrophobicContact CZ-CG2 3.8Å; F154-L179 HydrophobicContact CE2-CD1 3.9Å; F154-L179 HydrophobicContact CZ-CD1 3.59Å; F154-T186 CarbonylContact O-C 3.56Å; F154-T186 WeakPolarHBondContact O-CA 3.44Å; F154-F187 VanDerWaalsContact CD1-O 3.26Å; F154-F187 WeakPolarHBondContact CD1-O 3.4Å; F154-F187 HydrophobicContact CD2-CB 4.16Å; F154-F187 HydrophobicContact CE1-CB 4.31Å; F154-F187 WeakPolarHBondContact CE1-O 3.4Å; F154-F187 HydrophobicContact CE2-CB 3.74Å; F154-F187 HydrophobicContact CZ-CB 3.82Å; F154-F187 PolarHBondContact N-O 3.37Å; F154-F187 PolarHBondContact O-N 3.1Å; F154-I189 HydrophobicContact CE1-CG2 4.02Å; F154-I189 HydrophobicContact CZ-CB 4.5Å; F154-I189 HydrophobicContact CZ-CG2 4Å; F154-H209 AromaticContact CD2-CD2 3.89Å; F154-H209 AromaticContact CD2-NE2 3.76Å
155	Y	97.1	Very high	95.9	Very high	34 Å²	34	36.1 Å²	36.1	13%	0.133	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-156.1	137.5	172.2	-172.5	-84.1	0	0	0	110.8	R125 R126 V127 W185 F187 H209	R125-Y155 HydrophobicContact CB-CD1 3.93Å; R125-Y155 HydrophobicContact CB-CE1 3.91Å; R125-Y155 HydrophobicContact CG-CD1 3.85Å; R125-Y155 HydrophobicContact CG-CE1 4.25Å; R125-Y155 WeakPolarHBondContact O-CD1 3.4Å; R126-Y155 CarbonylContact C-O 3.5Å; R126-Y155 WeakPolarHBondContact CA-O 3.16Å; V127-Y155 PolarHBondContact N-O 3.28Å; V127-Y155 PolarHBondContact O-N 2.66Å; V127-Y155 VanDerWaalsContact O-N 3.15Å; Y155-W185 WeakPolarHBondContact CD2-O 3.44Å; Y155-W185 HydrophobicContact CE2-CE3 4.25Å; Y155-F187 AromaticContact CD2-CD2 3.97Å; Y155-F187 HydrophobicContact CD2-CD2 3.97Å; Y155-F187 AromaticContact CD2-CE2 3.53Å; Y155-F187 HydrophobicContact CD2-CE2 3.53Å; Y155-F187 AromaticContact CE2-CE2 3.77Å; Y155-F187 HydrophobicContact CE2-CE2 3.77Å; Y155-H209 VanDerWaalsContact C-CE1 3.45Å; Y155-H209 PolarHBondContact O-CE1 2.74Å
156	P	96.2	Very high	96.7	Very high	28 Å²	28	36.5 Å²	36.5	18%	0.182	19%	0.187	C	C	.	.	S	Bend	cis	-76.5	179.4	6.6	33.8	-38.8	0	0	0	113.6	F154 Q158 H209 P210	F154-P156 WeakPolarHBondContact CD2-O 3.44Å; P156-Q158 PolarHBondContact O-N 3.05Å; P156-H209 PolarHBondContact O-NE2 3.23Å; P156-P210 HydrophobicContact CG-CG 4.44Å
157	G	96	Very high	96.9	Very high	22 Å²	22	41.7 Å²	41.7	23%	0.227	22%	0.215	C	C	.	.	S	Bend	trans	-70.4	-10.8	-177.5	0	0	0	0	0	115.7	I159 L179	G157-I159 PolarHBondContact O-N 2.87Å; G157-L179 WeakPolarHBondContact O-CD2 3.4Å
158	Q	95.9	Very high	97	Very high	154 Å²	154	48.9 Å²	48.9	72%	0.72	25%	0.248	S	C	*	.			trans	-76.1	114.9	178.5	-178.1	172.4	3	0	0	109.9	P156 H209 P210	P156-Q158 PolarHBondContact O-N 3.05Å; Q158-H209 PolarHBondContact O-CD2 3.16Å; Q158-H209 VanDerWaalsContact O-CD2 3.23Å; Q158-P210 WeakPolarHBondContact O-CD 3.42Å
159	I	98.1	Very high	97.1	Very high	36 Å²	36	53 Å²	53	19%	0.185	27%	0.267	C	S	.	.			trans	-145.6	150.6	-177.1	-165	162.3	0	0	0	110.1	V151 F154 G157 V161 I189 V207 H209	V151-I159 HydrophobicContact CG1-CD1 3.54Å; F154-I159 HydrophobicContact CD1-CD1 3.92Å; F154-I159 HydrophobicContact CD2-CB 4.45Å; F154-I159 HydrophobicContact CD2-CD1 3.87Å; F154-I159 HydrophobicContact CE1-CD1 3.75Å; F154-I159 HydrophobicContact CE2-CB 3.85Å; F154-I159 HydrophobicContact CE2-CD1 3.72Å; F154-I159 HydrophobicContact CE2-CG1 4.4Å; F154-I159 HydrophobicContact CE2-CG2 3.83Å; F154-I159 HydrophobicContact CG-CD1 3.98Å; F154-I159 HydrophobicContact CZ-CB 4.22Å; F154-I159 HydrophobicContact CZ-CD1 3.66Å; F154-I159 HydrophobicContact CZ-CG2 3.8Å; G157-I159 PolarHBondContact O-N 2.87Å; I159-V161 HydrophobicContact CD1-CG2 4.28Å; I159-V161 HydrophobicContact CG1-CG2 4.07Å; I159-I189 HydrophobicContact CG2-CG2 4.22Å; I159-V207 HydrophobicContact CD1-CG1 3.89Å; I159-V207 HydrophobicContact CG1-CG1 4.13Å; I159-H209 HydrophobicContact CD1-CB 4.49Å; I159-H209 HydrophobicContact CG1-CB 4.28Å
160	K	98.3	Very high	97	Very high	93 Å²	93	55.5 Å²	55.5	40%	0.404	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	124.8	172.3	-178	-169.8	173.8	-148.5	0	108.2	Q162 V207 E208	K160-Q162 VanDerWaalsContact CE-OE1 3.23Å; K160-Q162 HydrophobicContact CG-CG 4.45Å; K160-Q162 VanDerWaalsContact NZ-OE1 3.13Å; K160-V207 WeakPolarHBondContact O-CA 3.46Å; K160-E208 HydrophobicContact CB-CB 4.23Å; K160-E208 PolarHBondContact N-O 3.15Å; K160-E208 IonicContact NZ-OE1 3.72Å; K160-E208 PolarHBondContact NZ-OE1 2.94Å; K160-E208 IonicContact NZ-OE2 2.92Å; K160-E208 PolarHBondContact O-N 2.94Å
161	V	98.5	Very high	96.9	Very high	28 Å²	28	59.4 Å²	59.4	17%	0.17	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	126.3	-178	-177.2	0	0	0	0	107.8	V151 I159 I189 V191 H206 V207	V151-V161 HydrophobicContact CG2-CG1 4.28Å; V151-V161 HydrophobicContact CG2-CG2 4.01Å; I159-V161 HydrophobicContact CD1-CG2 4.28Å; I159-V161 HydrophobicContact CG1-CG2 4.07Å; V161-I189 HydrophobicContact CG2-CG2 4.24Å; V161-V191 HydrophobicContact CB-CG2 3.81Å; V161-V191 HydrophobicContact CG1-CB 3.95Å; V161-V191 HydrophobicContact CG1-CG1 4.38Å; V161-V191 HydrophobicContact CG1-CG2 3.59Å; V161-V191 HydrophobicContact CG2-CG2 4.36Å; V161-H206 CarbonylContact C-O 3.53Å; V161-H206 WeakPolarHBondContact CA-O 3.04Å; V161-V207 HydrophobicContact CG1-CG2 4.24Å; V161-V207 HydrophobicContact CG2-CG1 4.4Å; V161-V207 HydrophobicContact CG2-CG2 4.29Å
162	Q	98.4	Very high	96.7	Very high	27 Å²	27	62.5 Å²	62.5	13%	0.126	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	145.3	-177	-67.4	171.4	-72.9	0	0	109.9	K160 F164 E169 H206	K160-Q162 VanDerWaalsContact CE-OE1 3.23Å; K160-Q162 HydrophobicContact CG-CG 4.45Å; K160-Q162 VanDerWaalsContact NZ-OE1 3.13Å; Q162-F164 HydrophobicContact CB-CD2 4.38Å; Q162-F164 HydrophobicContact CB-CE2 3.75Å; Q162-E169 PolarHBondContact NE2-OE1 2.65Å; Q162-E169 PolarHBondContact NE2-OE2 3.45Å; Q162-H206 HydrophobicContact CB-CB 4.37Å; Q162-H206 PolarHBondContact N-O 2.81Å; Q162-H206 PolarHBondContact O-N 3.39Å; Q162-H206 PolarHBondContact OE1-ND1 3.19Å
163	W	98.1	Very high	96.3	Very high	1 Å²	1	62.8 Å²	62.8	0%	0.004	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	143.4	170.3	-84.1	108.9	0	0	0	110.1	I133 L147 C149 E170 V174 V191 L193 C205	I133-W163 HydrophobicContact CD1-CH2 3.85Å; I133-W163 HydrophobicContact CD1-CZ3 3.84Å; I133-W163 HydrophobicContact CG1-CH2 3.96Å; I133-W163 HydrophobicContact CG1-CZ3 4.45Å; I133-W163 HydrophobicContact CG2-CH2 3.86Å; L147-W163 HydrophobicContact CB-CH2 3.8Å; L147-W163 HydrophobicContact CB-CZ2 4.01Å; L147-W163 HydrophobicContact CD1-CH2 4.41Å; L147-W163 HydrophobicContact CD1-CZ3 4.44Å; C149-W163 HydrophobicContact CB-CH2 4.04Å; C149-W163 HydrophobicContact CB-CZ2 3.47Å; C149-W163 VanDerWaalsContact CB-CZ2 3.47Å; W163-E170 HydrophobicContact CB-CB 4.31Å; W163-E170 PolarHBondContact O-N 2.92Å; W163-V174 HydrophobicContact CB-CG2 4.21Å; W163-V174 HydrophobicContact CG-CG2 4.42Å; W163-V191 PolarHBondContact NE1-O 2.91Å; W163-V191 VanDerWaalsContact NE1-O 3.12Å; W163-L193 HydrophobicContact CB-CD2 4.27Å; W163-L193 HydrophobicContact CD2-CB 4.03Å; W163-L193 HydrophobicContact CD2-CD2 4.02Å; W163-L193 HydrophobicContact CE3-CD2 4.14Å; W163-L193 HydrophobicContact CG-CB 4.03Å; W163-L193 HydrophobicContact CG-CD2 4.11Å; W163-L193 HydrophobicContact CZ2-CB 4.36Å; W163-C205 HydrophobicContact CE3-CB 4.39Å; W163-C205 HydrophobicContact CH2-CB 4.29Å; W163-C205 HydrophobicContact CZ3-CB 4.15Å
164	F	97.6	Very high	96.2	Very high	44 Å²	44	61.8 Å²	61.8	19%	0.193	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	145.8	170.2	-69.5	-105.1	0	0	0	109.4	Q162 Q168 E169 Y203 T204 H206	Q162-F164 HydrophobicContact CB-CD2 4.38Å; Q162-F164 HydrophobicContact CB-CE2 3.75Å; F164-Q168 CarbonylContact C-O 3.44Å; F164-Q168 WeakPolarHBondContact CA-O 3.31Å; F164-E169 HydrophobicContact CD1-CB 4.12Å; F164-E169 HydrophobicContact CE1-CB 3.77Å; F164-E169 HydrophobicContact CE1-CG 4.47Å; F164-E169 HydrophobicContact CZ-CB 4.1Å; F164-E169 HydrophobicContact CZ-CG 4.33Å; F164-Y203 CarbonylContact O-C 3.49Å; F164-Y203 VanDerWaalsContact O-CA 3.31Å; F164-Y203 WeakPolarHBondContact O-CA 3.44Å; F164-T204 PolarHBondContact N-O 2.94Å; F164-T204 PolarHBondContact O-N 2.82Å; F164-H206 HydrophobicContact CD2-CB 3.86Å; F164-H206 HydrophobicContact CE2-CB 3.63Å; F164-H206 AromaticContact CE2-ND1 3.89Å
165	R	95.5	Very high	96.1	Very high	56 Å²	56	66 Å²	66	21%	0.211	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	119.8	169	-179.2	-175.1	-179.5	172.8	6.6	108.1	D167 Q168 D201 V202 Y203	R165-D167 PolarHBondContact O-N 3Å; R165-Q168 PolarHBondContact N-O 2.91Å; R165-Q168 PolarHBondContact O-N 3.19Å; R165-D201 IonicContact CZ-OD1 3.86Å; R165-D201 IonicContact CZ-OD2 3.43Å; R165-D201 IonicContact NE-OD1 3.36Å; R165-D201 PolarHBondContact NE-OD1 2.88Å; R165-D201 IonicContact NE-OD2 3.44Å; R165-D201 PolarHBondContact NE-OD2 2.93Å; R165-D201 IonicContact NH2-OD1 3.44Å; R165-D201 PolarHBondContact NH2-OD1 2.85Å; R165-D201 IonicContact NH2-OD2 2.72Å; R165-D201 PolarHBondContact NH2-OD2 2.7Å; R165-V202 WeakPolarHBondContact CA-O 3.47Å; R165-Y203 HydrophobicContact CB-CD1 4.25Å; R165-Y203 HydrophobicContact CB-CE1 4.21Å; R165-Y203 HydrophobicContact CG-CD1 4.29Å; R165-Y203 HydrophobicContact CG-CE1 3.91Å
166	N	94.1	Very high	96.1	Very high	73 Å²	73	67.8 Å²	67.8	39%	0.39	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.7	49.2	-179	-53.6	-37	0	0	0	111.6	Q168 D201 V202	N166-Q168 PolarHBondContact O-N 2.71Å; N166-D201 PolarHBondContact ND2-OD1 3.33Å; N166-V202 PolarHBondContact N-O 3.44Å; N166-V202 PolarHBondContact OD1-N 2.78Å
167	D	93.3	Very high	96.1	Very high	142 Å²	142	68 Å²	68	76%	0.759	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	7.6	-179.2	-52.3	-48	0	0	0	116.6	R165	R165-D167 PolarHBondContact O-N 3Å
168	Q	96.3	Very high	96.2	Very high	152 Å²	152	72.3 Å²	72.3	71%	0.71	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.4	133.1	171.8	-62.7	-170.8	-10.7	0	0	110.6	F164 R165 N166 E170	F164-Q168 CarbonylContact C-O 3.44Å; F164-Q168 WeakPolarHBondContact CA-O 3.31Å; R165-Q168 PolarHBondContact N-O 2.91Å; R165-Q168 PolarHBondContact O-N 3.19Å; N166-Q168 PolarHBondContact O-N 2.71Å; Q168-E170 PolarHBondContact O-N 3.25Å
169	E	97.1	Very high	96.3	Very high	103 Å²	103	68.6 Å²	68.6	48%	0.481	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	126.6	178.7	-174.2	173.5	-178.2	0	0	110.2	Q162 F164 T171	Q162-E169 PolarHBondContact NE2-OE1 2.65Å; Q162-E169 PolarHBondContact NE2-OE2 3.45Å; F164-E169 HydrophobicContact CD1-CB 4.12Å; F164-E169 HydrophobicContact CE1-CB 3.77Å; F164-E169 HydrophobicContact CE1-CG 4.47Å; F164-E169 HydrophobicContact CZ-CB 4.1Å; F164-E169 HydrophobicContact CZ-CG 4.33Å; E169-T171 HydrophobicContact CG-CG2 4.3Å
170	E	95.6	Very high	96.3	Very high	53 Å²	53	69.8 Å²	69.8	25%	0.248	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	125.6	179.3	-172.9	62.3	-91.9	0	0	109.2	W163 Q168 A172 V174 L193	W163-E170 HydrophobicContact CB-CB 4.31Å; W163-E170 PolarHBondContact O-N 2.92Å; Q168-E170 PolarHBondContact O-N 3.25Å; E170-A172 PolarHBondContact OE1-N 2.84Å; E170-V174 WeakPolarHBondContact O-CG2 3.26Å; E170-L193 HydrophobicContact CG-CD1 3.64Å; E170-L193 HydrophobicContact CG-CD2 4.39Å
171	T	96.1	Very high	96.2	Very high	103 Å²	103	73.6 Å²	73.6	63%	0.632	40%	0.402	S	S	*	.			trans	-124.5	-20.7	179.5	57.4	0	0	0	0	111.9	E169	E169-T171 HydrophobicContact CG-CG2 4.3Å
172	A	93.9	Very high	96.1	Very high	65 Å²	65	74.9 Å²	74.9	54%	0.537	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	133.9	176.2	0	0	0	0	0	109.8	E170 V174	E170-A172 PolarHBondContact OE1-N 2.84Å; A172-V174 PolarHBondContact O-N 2.8Å
173	G	91.1	Very high	96	Very high	36 Å²	36	76.8 Å²	76.8	37%	0.371	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.1	10.1	-179.7	0	0	0	0	0	114.6	E194	G173-E194 PolarHBondContact O-N 3.13Å
174	V	95.9	Very high	95.8	Very high	48 Å²	48	81 Å²	81	29%	0.291	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	125.5	174.1	179.4	0	0	0	0	110.2	W163 E170 A172 V191 M192 L193	W163-V174 HydrophobicContact CB-CG2 4.21Å; W163-V174 HydrophobicContact CG-CG2 4.42Å; E170-V174 WeakPolarHBondContact O-CG2 3.26Å; A172-V174 PolarHBondContact O-N 2.8Å; V174-V191 HydrophobicContact CG1-CG1 3.67Å; V174-M192 CarbonylContact C-O 3.57Å; V174-M192 VanDerWaalsContact CA-O 3.29Å; V174-M192 WeakPolarHBondContact CA-O 3.47Å; V174-L193 HydrophobicContact CG2-CD1 3.69Å
175	V	95.6	Very high	95.6	Very high	89 Å²	89	85.5 Å²	85.5	54%	0.539	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	130.4	176.9	-178.3	0	0	0	0	109.3	M192	V175-M192 HydrophobicContact CB-CE 4.22Å; V175-M192 HydrophobicContact CG1-CE 3.99Å; V175-M192 PolarHBondContact N-O 2.9Å; V175-M192 WeakPolarHBondContact O-CE 3.2Å; V175-M192 PolarHBondContact O-N 3.38Å
176	S	96.9	Very high	95.7	Very high	71 Å²	71	83.4 Å²	83.4	50%	0.497	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	150	175.5	61.4	0	0	0	0	112.1	L190	S176-L190 WeakPolarHBondContact CA-O 3.4Å
177	T	96.6	Very high	95.9	Very high	33 Å²	33	80.6 Å²	80.6	20%	0.202	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-72.9	155.2	165.3	50.3	0	0	0	0	110.5	L190 M192	T177-L190 HydrophobicContact CG2-CB 3.97Å; T177-L190 HydrophobicContact CG2-CD1 4.43Å; T177-L190 HydrophobicContact CG2-CG 4.49Å; T177-L190 PolarHBondContact N-O 3.45Å; T177-L190 PolarHBondContact OG1-N 3.49Å; T177-L190 PolarHBondContact OG1-O 2.86Å; T177-M192 HydrophobicContact CG2-CE 4.4Å
178	P	97.6	Very high	96.1	Very high	112 Å²	112	76.6 Å²	76.6	73%	0.727	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-56.9	154.1	162.3	-20.3	32.6	0	0	0	110.4	I180	P178-I180 WeakPolarHBondContact O-CG1 3.49Å; P178-I180 PolarHBondContact O-N 2.69Å; P178-I180 VanDerWaalsContact O-N 3.16Å
179	L	97.4	Very high	96.2	Very high	75 Å²	75	70.4 Å²	70.4	39%	0.393	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-58.7	120.4	175.1	-173.1	72.8	0	0	0	110.6	F154 G157 F187	F154-L179 HydrophobicContact CE2-CD1 3.9Å; F154-L179 HydrophobicContact CZ-CD1 3.59Å; G157-L179 WeakPolarHBondContact O-CD2 3.4Å; L179-F187 HydrophobicContact CD1-CB 3.82Å; L179-F187 HydrophobicContact CD1-CD1 4.25Å; L179-F187 HydrophobicContact CD1-CG 4.24Å; L179-F187 HydrophobicContact CD2-CD1 3.56Å; L179-F187 HydrophobicContact CD2-CE1 3.82Å; L179-F187 HydrophobicContact CD2-CG 4.06Å; L179-F187 HydrophobicContact CG-CB 4.21Å; L179-F187 HydrophobicContact CG-CD1 3.7Å; L179-F187 HydrophobicContact CG-CE1 4.38Å; L179-F187 HydrophobicContact CG-CG 4.18Å
180	I	97.9	Very high	96.2	Very high	62 Å²	62	68.1 Å²	68.1	32%	0.318	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	130.9	-177.8	-55.2	172.6	0	0	0	108.7	P178 F187 Q188	P178-I180 WeakPolarHBondContact O-CG1 3.49Å; P178-I180 PolarHBondContact O-N 2.69Å; P178-I180 VanDerWaalsContact O-N 3.16Å; I180-F187 CarbonylContact O-C 3.55Å; I180-F187 VanDerWaalsContact O-CA 3.22Å; I180-F187 WeakPolarHBondContact O-CA 3.47Å; I180-Q188 HydrophobicContact CB-CG 3.6Å; I180-Q188 WeakPolarHBondContact CB-O 3.29Å; I180-Q188 HydrophobicContact CD1-CG 4.16Å; I180-Q188 HydrophobicContact CG1-CG 4.37Å; I180-Q188 HydrophobicContact CG2-CG 3.89Å; I180-Q188 PolarHBondContact N-O 3.16Å; I180-Q188 PolarHBondContact O-N 3.14Å
181	R	97.4	Very high	96.3	Very high	172 Å²	172	65.9 Å²	65.9	65%	0.649	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.1	121.7	175.5	-176.9	-173.8	-62.9	-85.5	-0.2	109.7	F187	R181-F187 HydrophobicContact CB-CD1 4.21Å; R181-F187 HydrophobicContact CB-CE1 4.11Å; R181-F187 HydrophobicContact CG-CE1 4.2Å
182	N	96.7	Very high	96.3	Very high	56 Å²	56	63.5 Å²	63.5	30%	0.299	36%	0.363	S	S	.	.			trans	-78.7	-22.6	-175.1	-66.8	-18.4	0	0	0	113.5	D184 T186 Q188	N182-D184 VanDerWaalsContact CB-OD1 3.29Å; N182-D184 WeakPolarHBondContact CB-OD1 3.34Å; N182-T186 PolarHBondContact N-O 3.25Å; N182-T186 VanDerWaalsContact N-O 3.16Å; N182-T186 PolarHBondContact ND2-OG1 3.24Å; N182-Q188 VanDerWaalsContact OD1-CD 3.28Å; N182-Q188 WeakPolarHBondContact OD1-CG 3.44Å; N182-Q188 PolarHBondContact OD1-OE1 3.49Å
183	G	94.9	Very high	96.4	Very high	67 Å²	67	60.5 Å²	60.5	69%	0.691	34%	0.338	S	S	*	.	S	Bend	trans	93.6	-4	-178.7	0	0	0	0	0	114.4
184	D	94.9	Very high	96.4	Very high	89 Å²	89	63.1 Å²	63.1	48%	0.476	34%	0.34	S	S	.	.	S	Bend	trans	-111	22.5	179.5	67.4	-8.7	0	0	0	112.9	N182 T186	N182-D184 VanDerWaalsContact CB-OD1 3.29Å; N182-D184 WeakPolarHBondContact CB-OD1 3.34Å; D184-T186 VanDerWaalsContact C-N 3.31Å; D184-T186 WeakPolarHBondContact OD1-CB 3.32Å; D184-T186 PolarHBondContact OD1-N 3.24Å; D184-T186 PolarHBondContact OD1-OG1 3.32Å
185	W	92.8	Very high	96	Very high	139 Å²	139	61.5 Å²	61.5	53%	0.527	33%	0.33	S	S	.	.	S	Bend	trans	68.5	20.9	-172.7	-60.4	76.1	0	0	0	115.5	I122 Y155	I122-W185 HydrophobicContact CD1-CH2 4.24Å; I122-W185 HydrophobicContact CG2-CE3 4.28Å; I122-W185 HydrophobicContact CG2-CH2 3.94Å; I122-W185 HydrophobicContact CG2-CZ3 3.41Å; I122-W185 VanDerWaalsContact CG2-CZ3 3.41Å; Y155-W185 WeakPolarHBondContact CD2-O 3.44Å; Y155-W185 HydrophobicContact CE2-CE3 4.25Å
186	T	97.1	Very high	95.5	Very high	11 Å²	11	62 Å²	62	7%	0.067	33%	0.333	C	S	.	.			trans	-117.8	164.9	167.6	70.7	0	0	0	0	112	F154 N182 D184	F154-T186 CarbonylContact O-C 3.56Å; F154-T186 WeakPolarHBondContact O-CA 3.44Å; N182-T186 PolarHBondContact N-O 3.25Å; N182-T186 VanDerWaalsContact N-O 3.16Å; N182-T186 PolarHBondContact ND2-OG1 3.24Å; D184-T186 VanDerWaalsContact C-N 3.31Å; D184-T186 WeakPolarHBondContact OD1-CB 3.32Å; D184-T186 PolarHBondContact OD1-N 3.24Å; D184-T186 PolarHBondContact OD1-OG1 3.32Å
187	F	98.2	Very high	94.7	Very high	15 Å²	15	61 Å²	61	7%	0.066	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	161.8	174.7	-61.7	-85.3	0	0	0	110.8	D153 F154 Y155 L179 I180 R181	D153-F187 PolarHBondContact N-O 3.13Å; D153-F187 VanDerWaalsContact N-O 3.09Å; F154-F187 VanDerWaalsContact CD1-O 3.26Å; F154-F187 WeakPolarHBondContact CD1-O 3.4Å; F154-F187 HydrophobicContact CD2-CB 4.16Å; F154-F187 HydrophobicContact CE1-CB 4.31Å; F154-F187 WeakPolarHBondContact CE1-O 3.4Å; F154-F187 HydrophobicContact CE2-CB 3.74Å; F154-F187 HydrophobicContact CZ-CB 3.82Å; F154-F187 PolarHBondContact N-O 3.37Å; F154-F187 PolarHBondContact O-N 3.1Å; Y155-F187 AromaticContact CD2-CD2 3.97Å; Y155-F187 HydrophobicContact CD2-CD2 3.97Å; Y155-F187 AromaticContact CD2-CE2 3.53Å; Y155-F187 HydrophobicContact CD2-CE2 3.53Å; Y155-F187 AromaticContact CE2-CE2 3.77Å; Y155-F187 HydrophobicContact CE2-CE2 3.77Å; L179-F187 HydrophobicContact CD1-CB 3.82Å; L179-F187 HydrophobicContact CD1-CD1 4.25Å; L179-F187 HydrophobicContact CD1-CG 4.24Å; L179-F187 HydrophobicContact CD2-CD1 3.56Å; L179-F187 HydrophobicContact CD2-CE1 3.82Å; L179-F187 HydrophobicContact CD2-CG 4.06Å; L179-F187 HydrophobicContact CG-CB 4.21Å; L179-F187 HydrophobicContact CG-CD1 3.7Å; L179-F187 HydrophobicContact CG-CE1 4.38Å; L179-F187 HydrophobicContact CG-CG 4.18Å; I180-F187 CarbonylContact O-C 3.55Å; I180-F187 VanDerWaalsContact O-CA 3.22Å; I180-F187 WeakPolarHBondContact O-CA 3.47Å; R181-F187 HydrophobicContact CB-CD1 4.21Å; R181-F187 HydrophobicContact CB-CE1 4.11Å; R181-F187 HydrophobicContact CG-CE1 4.2Å
188	Q	98.3	Very high	94.1	Very high	58 Å²	58	65.5 Å²	65.5	27%	0.271	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	153.8	169.5	64.7	-174.8	33.2	0	0	110.9	V151 T152 I180 N182	V151-Q188 CarbonylContact O-C 3.57Å; V151-Q188 VanDerWaalsContact O-CA 3.25Å; V151-Q188 WeakPolarHBondContact O-CA 3.47Å; T152-Q188 HydrophobicContact CG2-CB 4.1Å; I180-Q188 HydrophobicContact CB-CG 3.6Å; I180-Q188 WeakPolarHBondContact CB-O 3.29Å; I180-Q188 HydrophobicContact CD1-CG 4.16Å; I180-Q188 HydrophobicContact CG1-CG 4.37Å; I180-Q188 HydrophobicContact CG2-CG 3.89Å; I180-Q188 PolarHBondContact N-O 3.16Å; I180-Q188 PolarHBondContact O-N 3.14Å; N182-Q188 VanDerWaalsContact OD1-CD 3.28Å; N182-Q188 WeakPolarHBondContact OD1-CG 3.44Å; N182-Q188 PolarHBondContact OD1-OE1 3.49Å
189	I	98.4	Very high	93.4	Very high	22 Å²	22	70.5 Å²	70.5	11%	0.113	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	136.7	174.4	-170.8	170.7	0	0	0	109.4	V151 F154 I159 V161 V191	V151-I189 HydrophobicContact CB-CG2 3.89Å; V151-I189 HydrophobicContact CG2-CG2 4.44Å; V151-I189 PolarHBondContact N-O 2.96Å; V151-I189 PolarHBondContact O-N 3.37Å; F154-I189 HydrophobicContact CE1-CG2 4.02Å; F154-I189 HydrophobicContact CZ-CB 4.5Å; F154-I189 HydrophobicContact CZ-CG2 4Å; I159-I189 HydrophobicContact CG2-CG2 4.22Å; V161-I189 HydrophobicContact CG2-CG2 4.24Å; I189-V191 HydrophobicContact CD1-CG2 4.44Å; I189-V191 HydrophobicContact CG1-CG2 4.29Å
190	L	97.9	Very high	92.8	Very high	55 Å²	55	69.6 Å²	69.6	29%	0.288	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	127.3	171.4	-54.1	179.1	0	0	0	109	V148 S150 S176 T177	V148-L190 HydrophobicContact CG1-CB 4.31Å; V148-L190 HydrophobicContact CG1-CD2 4.35Å; S150-L190 WeakPolarHBondContact OG-CD2 3.46Å; S176-L190 WeakPolarHBondContact CA-O 3.4Å; T177-L190 HydrophobicContact CG2-CB 3.97Å; T177-L190 HydrophobicContact CG2-CD1 4.43Å; T177-L190 HydrophobicContact CG2-CG 4.49Å; T177-L190 PolarHBondContact N-O 3.45Å; T177-L190 PolarHBondContact OG1-N 3.49Å; T177-L190 PolarHBondContact OG1-O 2.86Å
191	V	97.8	Very high	92.5	Very high	6 Å²	6	67.1 Å²	67.1	4%	0.036	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	110.8	174.5	-172.5	0	0	0	0	109	C149 V161 W163 V174 I189	C149-V191 PolarHBondContact N-O 2.87Å; C149-V191 PolarHBondContact O-N 2.9Å; V161-V191 HydrophobicContact CB-CG2 3.81Å; V161-V191 HydrophobicContact CG1-CB 3.95Å; V161-V191 HydrophobicContact CG1-CG1 4.38Å; V161-V191 HydrophobicContact CG1-CG2 3.59Å; V161-V191 HydrophobicContact CG2-CG2 4.36Å; W163-V191 PolarHBondContact NE1-O 2.91Å; W163-V191 VanDerWaalsContact NE1-O 3.12Å; V174-V191 HydrophobicContact CG1-CG1 3.67Å; I189-V191 HydrophobicContact CD1-CG2 4.44Å; I189-V191 HydrophobicContact CG1-CG2 4.29Å
192	M	95.8	Very high	92.3	Very high	52 Å²	52	59.9 Å²	59.9	26%	0.256	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	140.8	-174	-59.7	163	-73.7	0	0	109.5	L147 V148 V174 V175 T177	L147-M192 CarbonylContact O-C 3.55Å; L147-M192 VanDerWaalsContact O-CA 3.27Å; L147-M192 WeakPolarHBondContact O-CA 3.46Å; V148-M192 HydrophobicContact CG1-CG 4.21Å; V148-M192 HydrophobicContact CG2-CG 4.15Å; V174-M192 CarbonylContact C-O 3.57Å; V174-M192 VanDerWaalsContact CA-O 3.29Å; V174-M192 WeakPolarHBondContact CA-O 3.47Å; V175-M192 HydrophobicContact CB-CE 4.22Å; V175-M192 HydrophobicContact CG1-CE 3.99Å; V175-M192 PolarHBondContact N-O 2.9Å; V175-M192 WeakPolarHBondContact O-CE 3.2Å; V175-M192 PolarHBondContact O-N 3.38Å; T177-M192 HydrophobicContact CG2-CE 4.4Å
193	L	94.6	Very high	92.3	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.01	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	121.2	173.8	171.2	65.1	0	0	0	108.9	L146 L147 W163 E170 V174 M195 Y203	L146-L193 WeakPolarHBondContact CA-O 3.19Å; L147-L193 PolarHBondContact N-O 3.38Å; L147-L193 PolarHBondContact O-N 2.71Å; W163-L193 HydrophobicContact CB-CD2 4.27Å; W163-L193 HydrophobicContact CD2-CB 4.03Å; W163-L193 HydrophobicContact CD2-CD2 4.02Å; W163-L193 HydrophobicContact CE3-CD2 4.14Å; W163-L193 HydrophobicContact CG-CB 4.03Å; W163-L193 HydrophobicContact CG-CD2 4.11Å; W163-L193 HydrophobicContact CZ2-CB 4.36Å; E170-L193 HydrophobicContact CG-CD1 3.64Å; E170-L193 HydrophobicContact CG-CD2 4.39Å; V174-L193 HydrophobicContact CG2-CD1 3.69Å; L193-M195 HydrophobicContact CG-CB 4.4Å; L193-Y203 HydrophobicContact CD2-CD1 3.61Å; L193-Y203 HydrophobicContact CD2-CE1 3.9Å
194	E	91.9	Very high	92.4	Very high	92 Å²	92	54.8 Å²	54.8	43%	0.43	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	123.6	166.3	-166.9	-172.4	143.9	0	0	110.2	H144 L146 G173	H144-E194 HydrophobicContact CB-CG 4.09Å; H144-E194 IonicContact CE1-OE1 3.67Å; H144-E194 PolarHBondContact CE1-OE1 3.34Å; H144-E194 IonicContact CG-OE1 3.45Å; H144-E194 IonicContact ND1-OE1 2.65Å; H144-E194 PolarHBondContact ND1-OE1 2.95Å; H144-E194 IonicContact ND1-OE2 3.44Å; L146-E194 HydrophobicContact CD2-CB 4.14Å; G173-E194 PolarHBondContact O-N 3.13Å
195	M	86.4	Confident	92.6	Very high	14 Å²	14	50.6 Å²	50.6	7%	0.069	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	159	-174.6	61.9	78.1	171.3	0	0	114	N145 L147 L193 P197 Y203 W220	N145-M195 HydrophobicContact CB-CE 3.67Å; N145-M195 HydrophobicContact CB-CG 4.48Å; N145-M195 WeakPolarHBondContact CB-O 3.23Å; N145-M195 HydrophobicContact CB-SD 3.55Å; N145-M195 VanDerWaalsContact CB-SD 3.55Å; N145-M195 WeakPolarHBondContact O-CG 3.32Å; N145-M195 PolarHBondContact O-N 3.24Å; L147-M195 HydrophobicContact CD1-CE 4.12Å; L147-M195 HydrophobicContact CD1-CG 4.1Å; L147-M195 HydrophobicContact CD2-CE 3.89Å; L147-M195 HydrophobicContact CG-CE 3.64Å; L147-M195 HydrophobicContact CG-CG 3.99Å; L193-M195 HydrophobicContact CG-CB 4.4Å; M195-P197 HydrophobicContact CE-CB 4.19Å; M195-P197 HydrophobicContact CE-CG 4Å; M195-P197 HydrophobicContact SD-CB 3.6Å; M195-P197 WeakPolarHBondContact SD-CD 3.31Å; M195-P197 HydrophobicContact SD-CG 3.49Å; M195-P197 WeakPolarHBondContact SD-CG 3.45Å; M195-Y203 HydrophobicContact CB-CE1 3.88Å; M195-Y203 HydrophobicContact CG-CE1 4.38Å; M195-W220 HydrophobicContact CE-CH2 3.82Å; M195-W220 HydrophobicContact CE-CZ3 3.98Å
196	T	85.7	Confident	92.8	Very high	100 Å²	100	45.5 Å²	45.5	61%	0.613	24%	0.236	S	C	*	.			trans	-125.2	89.8	172.1	44.1	0	0	0	0	107.5	Q198	T196-Q198 PolarHBondContact O-N 3.25Å
197	P	81.4	Confident	92.9	Very high	50 Å²	50	45 Å²	45	33%	0.325	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-74.1	126.9	-163.3	28.4	-27.1	0	0	0	110.1	N145 M195 A222	N145-P197 VanDerWaalsContact ND2-CD 3.33Å; N145-P197 WeakPolarHBondContact ND2-CD 3.49Å; M195-P197 HydrophobicContact CE-CB 4.19Å; M195-P197 HydrophobicContact CE-CG 4Å; M195-P197 HydrophobicContact SD-CB 3.6Å; M195-P197 WeakPolarHBondContact SD-CD 3.31Å; M195-P197 HydrophobicContact SD-CG 3.49Å; M195-P197 WeakPolarHBondContact SD-CG 3.45Å; P197-A222 HydrophobicContact CB-CB 3.84Å
198	Q	83.4	Confident	92.9	Very high	127 Å²	127	47.5 Å²	47.5	59%	0.593	25%	0.245	S	C	*	.	P	Polyproline II helix	trans	-98.4	153.9	170.4	-60	-170.8	14.1	0	0	110.3	T196 G200 D201 A222	T196-Q198 PolarHBondContact O-N 3.25Å; Q198-G200 PolarHBondContact O-N 3.4Å; Q198-G200 VanDerWaalsContact O-N 3.15Å; Q198-D201 WeakPolarHBondContact CB-OD2 3.25Å; Q198-D201 PolarHBondContact N-OD2 3.42Å; Q198-D201 WeakPolarHBondContact O-CB 3.27Å; Q198-D201 PolarHBondContact O-N 2.63Å; Q198-A222 VanDerWaalsContact O-CB 3.29Å; Q198-A222 WeakPolarHBondContact O-CB 3.46Å
199	R	82.8	Confident	92.9	Very high	216 Å²	216	45.3 Å²	45.3	82%	0.815	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	122.9	178	176.4	-177.9	-91.7	-165.6	-4.9	109.2
200	G	85.6	Confident	92.9	Very high	57 Å²	57	47.3 Å²	47.3	59%	0.588	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	96.6	-8.1	179.4	0	0	0	0	0	114.1	Q198 V202	Q198-G200 PolarHBondContact O-N 3.4Å; Q198-G200 VanDerWaalsContact O-N 3.15Å; G200-V202 PolarHBondContact O-N 2.84Å
201	D	90.6	Very high	92.8	Very high	10 Å²	10	45.6 Å²	45.6	5%	0.053	24%	0.242	C	C	.	.			trans	-59.4	136.5	172.2	-80.8	-27.8	0	0	0	111.1	R165 N166 Q198 Y203 A222	R165-D201 IonicContact CZ-OD1 3.86Å; R165-D201 IonicContact CZ-OD2 3.43Å; R165-D201 IonicContact NE-OD1 3.36Å; R165-D201 PolarHBondContact NE-OD1 2.88Å; R165-D201 IonicContact NE-OD2 3.44Å; R165-D201 PolarHBondContact NE-OD2 2.93Å; R165-D201 IonicContact NH2-OD1 3.44Å; R165-D201 PolarHBondContact NH2-OD1 2.85Å; R165-D201 IonicContact NH2-OD2 2.72Å; R165-D201 PolarHBondContact NH2-OD2 2.7Å; N166-D201 PolarHBondContact ND2-OD1 3.33Å; Q198-D201 WeakPolarHBondContact CB-OD2 3.25Å; Q198-D201 PolarHBondContact N-OD2 3.42Å; Q198-D201 WeakPolarHBondContact O-CB 3.27Å; Q198-D201 PolarHBondContact O-N 2.63Å; D201-Y203 HydrophobicContact CB-CD2 4.21Å; D201-Y203 HydrophobicContact CB-CE2 3.53Å; D201-Y203 PolarHBondContact OD2-OH 2.95Å; D201-A222 HydrophobicContact CB-CB 4.15Å; D201-A222 PolarHBondContact O-N 2.84Å
202	V	94.2	Very high	92.8	Very high	20 Å²	20	46.7 Å²	46.7	12%	0.121	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	121.1	171.2	-171.2	0	0	0	0	108	R165 N166 G200 E219 R221	R165-V202 WeakPolarHBondContact CA-O 3.47Å; N166-V202 PolarHBondContact N-O 3.44Å; N166-V202 PolarHBondContact OD1-N 2.78Å; G200-V202 PolarHBondContact O-N 2.84Å; V202-E219 HydrophobicContact CG1-CB 4.26Å; V202-E219 HydrophobicContact CG1-CG 4.2Å; V202-R221 HydrophobicContact CG1-CG 4.33Å; V202-R221 HydrophobicContact CG2-CG 4.26Å; V202-R221 VanDerWaalsContact CG2-NH1 3.27Å
203	Y	95.2	Very high	92.8	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.008	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	134.2	174.6	-65.3	-94.5	0	0	0	108.6	L147 F164 R165 L193 M195 D201 E219 W220	L147-Y203 HydrophobicContact CD1-CD1 3.92Å; L147-Y203 HydrophobicContact CD1-CD2 3.88Å; L147-Y203 HydrophobicContact CD1-CG 3.53Å; F164-Y203 CarbonylContact O-C 3.49Å; F164-Y203 VanDerWaalsContact O-CA 3.31Å; F164-Y203 WeakPolarHBondContact O-CA 3.44Å; R165-Y203 HydrophobicContact CB-CD1 4.25Å; R165-Y203 HydrophobicContact CB-CE1 4.21Å; R165-Y203 HydrophobicContact CG-CD1 4.29Å; R165-Y203 HydrophobicContact CG-CE1 3.91Å; L193-Y203 HydrophobicContact CD2-CD1 3.61Å; L193-Y203 HydrophobicContact CD2-CE1 3.9Å; M195-Y203 HydrophobicContact CB-CE1 3.88Å; M195-Y203 HydrophobicContact CG-CE1 4.38Å; D201-Y203 HydrophobicContact CB-CD2 4.21Å; D201-Y203 HydrophobicContact CB-CE2 3.53Å; D201-Y203 PolarHBondContact OD2-OH 2.95Å; Y203-E219 CarbonylContact O-C 3.6Å; Y203-E219 WeakPolarHBondContact O-CA 3.01Å; Y203-W220 AromaticContact CD2-CE3 3.72Å; Y203-W220 HydrophobicContact CD2-CE3 3.72Å; Y203-W220 AromaticContact CD2-CZ3 3.87Å; Y203-W220 HydrophobicContact CD2-CZ3 3.87Å; Y203-W220 HydrophobicContact CE2-CE3 4.46Å; Y203-W220 HydrophobicContact CE2-CZ3 4.14Å; Y203-W220 HydrophobicContact CG-CE3 4.42Å; Y203-W220 PolarHBondContact N-O 3.25Å; Y203-W220 PolarHBondContact O-N 2.91Å
204	T	97.7	Very high	93	Very high	14 Å²	14	58 Å²	58	9%	0.086	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	127.6	-177.2	-53.4	0	0	0	0	109.8	F164 T217 V218 E219	F164-T204 PolarHBondContact N-O 2.94Å; F164-T204 PolarHBondContact O-N 2.82Å; T204-T217 HydrophobicContact CG2-CG2 4.29Å; T204-V218 CarbonylContact C-O 3.57Å; T204-V218 VanDerWaalsContact CA-O 3.3Å; T204-V218 WeakPolarHBondContact CA-O 3.33Å; T204-E219 HydrophobicContact CG2-CG 4.45Å
205	C	98.1	Very high	93.2	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	117.7	167.1	-175.1	0	0	0	0	108.8	I133 C149 W163 T217 V218	I133-C205 HydrophobicContact CD1-CB 3.73Å; I133-C205 HydrophobicContact CG1-CB 3.99Å; C149-C205 HydrophobicContact CB-CB 3.69Å; C149-C205 WeakPolarHBondContact CB-SG 3.3Å; C149-C205 WeakPolarHBondContact SG-CB 3.04Å; C149-C205 CovalentContact SG-SG 2.02Å; C149-C205 PolarHBondContact SG-SG 2.77Å; W163-C205 HydrophobicContact CE3-CB 4.39Å; W163-C205 HydrophobicContact CH2-CB 4.29Å; W163-C205 HydrophobicContact CZ3-CB 4.15Å; C205-T217 WeakPolarHBondContact O-CA 3.22Å; C205-V218 PolarHBondContact N-O 3.45Å; C205-V218 PolarHBondContact O-N 2.91Å
206	H	98.4	Very high	93.8	Very high	32 Å²	32	58.1 Å²	58.1	15%	0.148	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	122.5	-179.6	179.8	-128.1	0	0	0	109.5	V161 Q162 F164 E208 P215 I216	V161-H206 CarbonylContact C-O 3.53Å; V161-H206 WeakPolarHBondContact CA-O 3.04Å; Q162-H206 HydrophobicContact CB-CB 4.37Å; Q162-H206 PolarHBondContact N-O 2.81Å; Q162-H206 PolarHBondContact O-N 3.39Å; Q162-H206 PolarHBondContact OE1-ND1 3.19Å; F164-H206 HydrophobicContact CD2-CB 3.86Å; F164-H206 HydrophobicContact CE2-CB 3.63Å; F164-H206 AromaticContact CE2-ND1 3.89Å; H206-E208 IonicContact CE1-OE1 3.28Å; H206-E208 PolarHBondContact CE1-OE1 2.84Å; H206-P215 WeakPolarHBondContact NE2-CB 3.46Å; H206-P215 WeakPolarHBondContact NE2-CG 3.45Å; H206-I216 WeakPolarHBondContact CA-O 3.48Å
207	V	98.7	Very high	94.3	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	118.4	-174.5	-178.2	0	0	0	0	110.2	P129 V131 V151 I159 K160 V161 P215 I216	P129-V207 HydrophobicContact CG-CG1 4.01Å; V131-V207 HydrophobicContact CG1-CG2 3.98Å; V131-V207 HydrophobicContact CG2-CB 4.15Å; V131-V207 HydrophobicContact CG2-CG1 4.38Å; V131-V207 HydrophobicContact CG2-CG2 3.75Å; V151-V207 HydrophobicContact CG1-CG1 4.1Å; V151-V207 HydrophobicContact CG2-CG2 3.95Å; I159-V207 HydrophobicContact CD1-CG1 3.89Å; I159-V207 HydrophobicContact CG1-CG1 4.13Å; K160-V207 WeakPolarHBondContact O-CA 3.46Å; V161-V207 HydrophobicContact CG1-CG2 4.24Å; V161-V207 HydrophobicContact CG2-CG1 4.4Å; V161-V207 HydrophobicContact CG2-CG2 4.29Å; V207-P215 WeakPolarHBondContact O-CA 3.06Å; V207-I216 HydrophobicContact CB-CB 4.41Å; V207-I216 PolarHBondContact N-O 2.9Å; V207-I216 PolarHBondContact O-N 3.24Å
208	E	98.6	Very high	95.1	Very high	69 Å²	69	57.2 Å²	57.2	32%	0.322	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	130.6	170	-58.3	172.4	-148.2	0	0	109.3	K160 H206 P215	K160-E208 HydrophobicContact CB-CB 4.23Å; K160-E208 PolarHBondContact N-O 3.15Å; K160-E208 IonicContact NZ-OE1 3.72Å; K160-E208 PolarHBondContact NZ-OE1 2.94Å; K160-E208 IonicContact NZ-OE2 2.92Å; K160-E208 PolarHBondContact O-N 2.94Å; H206-E208 IonicContact CE1-OE1 3.28Å; H206-E208 PolarHBondContact CE1-OE1 2.84Å; E208-P215 HydrophobicContact CG-CB 4.14Å; E208-P215 HydrophobicContact CG-CG 4.05Å
209	H	98.4	Very high	95.7	Very high	11 Å²	11	56.2 Å²	56.2	5%	0.051	30%	0.304	C	S	.	.			trans	-149.2	142.3	-179.6	179.6	-104.4	0	0	0	110.3	V127 P129 F154 Y155 P156 Q158 I159 S211 L212	V127-H209 PolarHBondContact O-CE1 2.97Å; P129-H209 HydrophobicContact CG-CB 4.23Å; F154-H209 AromaticContact CD2-CD2 3.89Å; F154-H209 AromaticContact CD2-NE2 3.76Å; Y155-H209 VanDerWaalsContact C-CE1 3.45Å; Y155-H209 PolarHBondContact O-CE1 2.74Å; P156-H209 PolarHBondContact O-NE2 3.23Å; Q158-H209 PolarHBondContact O-CD2 3.16Å; Q158-H209 VanDerWaalsContact O-CD2 3.23Å; I159-H209 HydrophobicContact CD1-CB 4.49Å; I159-H209 HydrophobicContact CG1-CB 4.28Å; H209-S211 PolarHBondContact CE1-OG 3.3Å; H209-S211 VanDerWaalsContact ND1-CB 3.35Å; H209-S211 WeakPolarHBondContact ND1-CB 3.02Å; H209-S211 PolarHBondContact ND1-N 3.21Å; H209-S211 PolarHBondContact ND1-OG 2.79Å; H209-S211 PolarHBondContact O-N 2.84Å; H209-L212 HydrophobicContact CB-CD1 3.95Å; H209-L212 HydrophobicContact CB-CG 4.24Å; H209-L212 WeakPolarHBondContact O-CB 3.42Å; H209-L212 PolarHBondContact O-N 2.03Å
210	P	96.8	Very high	96.2	Very high	64 Å²	64	48.6 Å²	48.6	42%	0.416	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-8.6	-176.2	-27.1	36.1	0	0	0	116.7	P156 Q158	P156-P210 HydrophobicContact CG-CG 4.44Å; Q158-P210 WeakPolarHBondContact O-CD 3.42Å
211	S	96.9	Very high	96.5	Very high	19 Å²	19	52.7 Å²	52.7	13%	0.133	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-17.7	172	71	0	0	0	0	113.1	E128 H209	E128-S211 VanDerWaalsContact CA-OG 3.27Å; E128-S211 WeakPolarHBondContact CA-OG 3.39Å; E128-S211 WeakPolarHBondContact CG-OG 3.44Å; H209-S211 PolarHBondContact CE1-OG 3.3Å; H209-S211 VanDerWaalsContact ND1-CB 3.35Å; H209-S211 WeakPolarHBondContact ND1-CB 3.02Å; H209-S211 PolarHBondContact ND1-N 3.21Å; H209-S211 PolarHBondContact ND1-OG 2.79Å; H209-S211 PolarHBondContact O-N 2.84Å
212	L	97.5	Very high	96.1	Very high	29 Å²	29	53 Å²	53	15%	0.152	28%	0.277	C	S	.	.			trans	-95.6	138.1	-171.1	-61	172.3	0	0	0	110.4	E128 P129 H209 S214 I216	E128-L212 HydrophobicContact CB-CD2 4.04Å; E128-L212 HydrophobicContact CG-CD2 3.76Å; P129-L212 HydrophobicContact CG-CD1 4.11Å; H209-L212 HydrophobicContact CB-CD1 3.95Å; H209-L212 HydrophobicContact CB-CG 4.24Å; H209-L212 WeakPolarHBondContact O-CB 3.42Å; H209-L212 PolarHBondContact O-N 2.03Å; L212-S214 WeakPolarHBondContact CB-O 3.41Å; L212-I216 HydrophobicContact CD1-CD1 3.85Å; L212-I216 HydrophobicContact CD1-CG1 3.85Å; L212-I216 HydrophobicContact CD2-CD1 3.8Å; L212-I216 HydrophobicContact CD2-CG1 4.13Å; L212-I216 HydrophobicContact CG-CD1 4.5Å
213	Q	96.4	Very high	94.9	Very high	208 Å²	208	58.7 Å²	58.7	97%	0.972	30%	0.302	S	S	*	.	S	Bend	trans	-78	-32.1	171.6	-63.6	-178.4	32.6	0	0	111.9
214	S	97.2	Very high	92.9	Very high	84 Å²	84	60.6 Å²	60.6	59%	0.587	32%	0.316	S	S	*	.	S	Bend	trans	-135.5	148.8	176	58	0	0	0	0	109.3	L212	L212-S214 WeakPolarHBondContact CB-O 3.41Å
215	P	97.6	Very high	90.8	Very high	62 Å²	62	66.4 Å²	66.4	40%	0.403	34%	0.342	S	S	.	.			trans	-60.7	151.1	179.2	-20.5	32.5	0	0	0	112.7	H206 V207 E208	H206-P215 WeakPolarHBondContact NE2-CB 3.46Å; H206-P215 WeakPolarHBondContact NE2-CG 3.45Å; V207-P215 WeakPolarHBondContact O-CA 3.06Å; E208-P215 HydrophobicContact CG-CB 4.14Å; E208-P215 HydrophobicContact CG-CG 4.05Å
216	I	98	Very high	88.5	Confident	47 Å²	47	68.3 Å²	68.3	24%	0.241	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	132.1	170.7	-68.2	170.3	0	0	0	108.6	P129 V131 H206 V207 L212 V218	P129-I216 HydrophobicContact CG-CD1 4.22Å; V131-I216 HydrophobicContact CB-CG2 4.06Å; V131-I216 HydrophobicContact CG2-CB 4.33Å; V131-I216 HydrophobicContact CG2-CD1 4.25Å; V131-I216 HydrophobicContact CG2-CG2 3.82Å; H206-I216 WeakPolarHBondContact CA-O 3.48Å; V207-I216 HydrophobicContact CB-CB 4.41Å; V207-I216 PolarHBondContact N-O 2.9Å; V207-I216 PolarHBondContact O-N 3.24Å; L212-I216 HydrophobicContact CD1-CD1 3.85Å; L212-I216 HydrophobicContact CD1-CG1 3.85Å; L212-I216 HydrophobicContact CD2-CD1 3.8Å; L212-I216 HydrophobicContact CD2-CG1 4.13Å; L212-I216 HydrophobicContact CG-CD1 4.5Å; I216-V218 HydrophobicContact CG2-CG2 3.98Å
217	T	97.4	Very high	86.2	Confident	92 Å²	92	69.3 Å²	69.3	56%	0.564	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.7	119	172.4	52.7	0	0	0	0	109.5	T204 C205	T204-T217 HydrophobicContact CG2-CG2 4.29Å; C205-T217 WeakPolarHBondContact O-CA 3.22Å
218	V	97.5	Very high	84	Confident	38 Å²	38	75.4 Å²	75.4	23%	0.23	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	127.3	173.2	-178.6	0	0	0	0	108.4	V131 I133 T204 C205 I216	V131-V218 HydrophobicContact CB-CG2 3.79Å; V131-V218 HydrophobicContact CG1-CB 4.2Å; V131-V218 HydrophobicContact CG1-CG2 3.59Å; I133-V218 HydrophobicContact CD1-CB 4.06Å; I133-V218 HydrophobicContact CD1-CG1 3.9Å; I133-V218 WeakPolarHBondContact CD1-O 3.46Å; I133-V218 HydrophobicContact CG1-CB 4.31Å; I133-V218 HydrophobicContact CG1-CG1 3.96Å; T204-V218 CarbonylContact C-O 3.57Å; T204-V218 VanDerWaalsContact CA-O 3.3Å; T204-V218 WeakPolarHBondContact CA-O 3.33Å; C205-V218 PolarHBondContact N-O 3.45Å; C205-V218 PolarHBondContact O-N 2.91Å; I216-V218 HydrophobicContact CG2-CG2 3.98Å
219	E	96.2	Very high	82	Confident	106 Å²	106	75.5 Å²	75.5	50%	0.495	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	143.8	178.2	-65.3	-174.3	179	0	0	111.7	V202 Y203 T204 R221	V202-E219 HydrophobicContact CG1-CB 4.26Å; V202-E219 HydrophobicContact CG1-CG 4.2Å; Y203-E219 CarbonylContact O-C 3.6Å; Y203-E219 WeakPolarHBondContact O-CA 3.01Å; T204-E219 HydrophobicContact CG2-CG 4.45Å; E219-R221 IonicContact OE2-CZ 2.64Å; E219-R221 IonicContact OE2-NE 2.97Å; E219-R221 IonicContact OE2-NH2 3.71Å; E219-R221 PolarHBondContact OE2-NH2 2.93Å
220	W	93.8	Very high	80	Confident	56 Å²	56	81.9 Å²	81.9	21%	0.212	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	129.6	165.9	-177.1	93.1	0	0	0	109.3	I133 L147 M195 Y203 A222	I133-W220 HydrophobicContact CB-CB 4.2Å; I133-W220 HydrophobicContact CD1-CB 4.1Å; I133-W220 HydrophobicContact CG2-CB 3.64Å; I133-W220 HydrophobicContact CG2-CG 3.93Å; L147-W220 HydrophobicContact CD1-CD2 4.14Å; L147-W220 HydrophobicContact CD1-CE3 3.61Å; L147-W220 HydrophobicContact CD1-CZ3 4Å; L147-W220 HydrophobicContact CD2-CD2 3.64Å; L147-W220 HydrophobicContact CD2-CE3 3.83Å; L147-W220 HydrophobicContact CD2-CG 4.09Å; L147-W220 HydrophobicContact CD2-CH2 4.24Å; L147-W220 HydrophobicContact CD2-CZ2 4.08Å; L147-W220 HydrophobicContact CD2-CZ3 4.12Å; L147-W220 HydrophobicContact CG-CE3 4.34Å; M195-W220 HydrophobicContact CE-CH2 3.82Å; M195-W220 HydrophobicContact CE-CZ3 3.98Å; Y203-W220 AromaticContact CD2-CE3 3.72Å; Y203-W220 HydrophobicContact CD2-CE3 3.72Å; Y203-W220 AromaticContact CD2-CZ3 3.87Å; Y203-W220 HydrophobicContact CD2-CZ3 3.87Å; Y203-W220 HydrophobicContact CE2-CE3 4.46Å; Y203-W220 HydrophobicContact CE2-CZ3 4.14Å; Y203-W220 HydrophobicContact CG-CE3 4.42Å; Y203-W220 PolarHBondContact N-O 3.25Å; Y203-W220 PolarHBondContact O-N 2.91Å; W220-A222 HydrophobicContact CH2-CB 4.28Å; W220-A222 HydrophobicContact CZ3-CB 3.96Å
221	R	90.6	Very high	78.1	Confident	144 Å²	144	85.6 Å²	85.6	54%	0.543	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	133.8	-178.4	-63.9	-177.3	-179.7	-97.5	-7.6	109.8	V202 E219 Q223	V202-R221 HydrophobicContact CG1-CG 4.33Å; V202-R221 HydrophobicContact CG2-CG 4.26Å; V202-R221 VanDerWaalsContact CG2-NH1 3.27Å; E219-R221 IonicContact OE2-CZ 2.64Å; E219-R221 IonicContact OE2-NE 2.97Å; E219-R221 IonicContact OE2-NH2 3.71Å; E219-R221 PolarHBondContact OE2-NH2 2.93Å; R221-Q223 PolarHBondContact O-N 2.81Å
222	A	82.7	Confident	76.4	Confident	16 Å²	16	91.2 Å²	91.2	13%	0.132	48%	0.475	C	S	.	.			trans	-63.1	97.2	173.9	0	0	0	0	0	110.2	P197 Q198 D201 W220	P197-A222 HydrophobicContact CB-CB 3.84Å; Q198-A222 VanDerWaalsContact O-CB 3.29Å; Q198-A222 WeakPolarHBondContact O-CB 3.46Å; D201-A222 HydrophobicContact CB-CB 4.15Å; D201-A222 PolarHBondContact O-N 2.84Å; W220-A222 HydrophobicContact CH2-CB 4.28Å; W220-A222 HydrophobicContact CZ3-CB 3.96Å
223	Q	69.8	Low	75	Confident	140 Å²	140	94.1 Å²	94.1	65%	0.654	50%	0.497	S	S	*	.			trans	-78.1	138.1	173.7	-66.5	-168	-6.8	0	0	109.9	R221 E225	R221-Q223 PolarHBondContact O-N 2.81Å; Q223-E225 PolarHBondContact O-N 2.78Å
224	S	51.6	Low	73.8	Confident	41 Å²	41	86.4 Å²	86.4	29%	0.287	47%	0.474	S	S	.	.			trans	-68.4	123.2	169.2	163.2	0	0	0	0	108.8	S226 A227	S224-S226 PolarHBondContact O-N 3.12Å; S224-S226 WeakPolarHBondContact OG-CB 3.37Å; S224-S226 PolarHBondContact OG-N 2.8Å; S224-A227 WeakPolarHBondContact O-CB 3.38Å; S224-A227 PolarHBondContact O-N 3.33Å
225	E	53.5	Low	72.8	Confident	137 Å²	137	86.5 Å²	86.5	64%	0.64	47%	0.471	S	S	*	.	H	α-helix	trans	-49.3	-29.5	173.8	-73.3	-167.9	146.5	0	0	112.5	R137 Q223 A227 S229	R137-E225 IonicContact CZ-OE1 3.61Å; R137-E225 IonicContact NH2-OE1 3.93Å; R137-E225 PolarHBondContact NH2-OE1 2.96Å; Q223-E225 PolarHBondContact O-N 2.78Å; E225-A227 PolarHBondContact O-N 3.2Å; E225-S229 PolarHBondContact O-N 2.83Å
226	S	51.2	Low	71.8	Confident	39 Å²	39	85.2 Å²	85.2	27%	0.273	47%	0.468	S	S	.	.	H	α-helix	trans	-61.6	-21.3	173.6	168.1	0	0	0	0	114.9	S224 K230	S224-S226 PolarHBondContact O-N 3.12Å; S224-S226 WeakPolarHBondContact OG-CB 3.37Å; S224-S226 PolarHBondContact OG-N 2.8Å; S226-K230 WeakPolarHBondContact O-CB 3.41Å; S226-K230 VanDerWaalsContact O-CD 3.29Å; S226-K230 WeakPolarHBondContact O-CD 3.45Å; S226-K230 WeakPolarHBondContact O-CG 3.49Å; S226-K230 PolarHBondContact O-N 3.34Å; S226-K230 VanDerWaalsContact O-N 3.13Å; S226-K230 VanDerWaalsContact OG-CD 3.3Å; S226-K230 WeakPolarHBondContact OG-CD 3.45Å; S226-K230 WeakPolarHBondContact OG-CE 3.23Å; S226-K230 PolarHBondContact OG-NZ 2.99Å
227	A	50	Low	71.1	Confident	54 Å²	54	85 Å²	85	45%	0.446	48%	0.478	S	S	.	.	H	α-helix	trans	-78.9	-43.7	-178.8	0	0	0	0	0	111.9	S224 E225 M231	S224-A227 WeakPolarHBondContact O-CB 3.38Å; S224-A227 PolarHBondContact O-N 3.33Å; E225-A227 PolarHBondContact O-N 3.2Å; A227-M231 PolarHBondContact O-N 3.11Å
228	Q	52.9	Low	70.4	Confident	128 Å²	128	87.4 Å²	87.4	60%	0.598	48%	0.481	S	S	*	.	H	α-helix	trans	-67.6	-41.1	174.3	-91.6	179.6	-25.6	0	0	111.9	M231 L232	Q228-M231 PolarHBondContact O-N 3.34Å; Q228-L232 WeakPolarHBondContact O-CD1 3.29Å; Q228-L232 PolarHBondContact O-N 3.12Å
229	S	56.5	Low	70	Confident	71 Å²	71	89.1 Å²	89.1	50%	0.497	49%	0.491	S	S	.	.	H	α-helix	trans	-69.4	-36.2	178.2	78.6	0	0	0	0	112.8	E225 L232 S233	E225-S229 PolarHBondContact O-N 2.83Å; S229-L232 PolarHBondContact O-N 3.47Å; S229-S233 WeakPolarHBondContact O-CB 3.5Å; S229-S233 PolarHBondContact O-N 2.98Å
230	K	56.9	Low	69.6	Low	145 Å²	145	88.9 Å²	88.9	63%	0.63	49%	0.493	S	S	*	.	H	α-helix	trans	-69.3	-35.9	174.4	-75.8	174.7	178.8	162.7	0	112.5	S226 G234	S226-K230 WeakPolarHBondContact O-CB 3.41Å; S226-K230 VanDerWaalsContact O-CD 3.29Å; S226-K230 WeakPolarHBondContact O-CD 3.45Å; S226-K230 WeakPolarHBondContact O-CG 3.49Å; S226-K230 PolarHBondContact O-N 3.34Å; S226-K230 VanDerWaalsContact O-N 3.13Å; S226-K230 VanDerWaalsContact OG-CD 3.3Å; S226-K230 WeakPolarHBondContact OG-CD 3.45Å; S226-K230 WeakPolarHBondContact OG-CE 3.23Å; S226-K230 PolarHBondContact OG-NZ 2.99Å; K230-G234 PolarHBondContact O-N 3.28Å
231	M	56.7	Low	69.3	Low	142 Å²	142	87.8 Å²	87.8	70%	0.7	50%	0.499	S	S	*	.	H	α-helix	trans	-64.1	-46.1	172.1	-97.5	-171.7	73.8	0	0	111.9	A227 Q228 S233 G234 V235	A227-M231 PolarHBondContact O-N 3.11Å; Q228-M231 PolarHBondContact O-N 3.34Å; M231-S233 PolarHBondContact O-N 3Å; M231-G234 PolarHBondContact O-N 3.41Å; M231-V235 WeakPolarHBondContact O-CG2 3.38Å; M231-V235 PolarHBondContact O-N 3.03Å
232	L	59.6	Low	69.4	Low	136 Å²	136	85.4 Å²	85.4	71%	0.712	50%	0.497	S	S	*	.	H	α-helix	trans	-64.2	-41	177.9	-98.7	99.8	0	0	0	112.6	Q228 S229 G234 G236	Q228-L232 WeakPolarHBondContact O-CD1 3.29Å; Q228-L232 PolarHBondContact O-N 3.12Å; S229-L232 PolarHBondContact O-N 3.47Å; L232-G234 VanDerWaalsContact C-N 3.34Å; L232-G236 PolarHBondContact O-N 3.44Å
233	S	69.1	Low	69.7	Low	90 Å²	90	88.9 Å²	88.9	63%	0.629	51%	0.512	S	S	*	.	H	α-helix	trans	-66.9	-35.8	176.1	-171.8	0	0	0	0	112.3	S229 M231 G237	S229-S233 WeakPolarHBondContact O-CB 3.5Å; S229-S233 PolarHBondContact O-N 2.98Å; M231-S233 PolarHBondContact O-N 3Å; S233-G237 PolarHBondContact O-N 2.96Å
234	G	71.3	Confident	70.6	Confident	46 Å²	46	89.3 Å²	89.3	47%	0.474	51%	0.512	S	S	.	.	H	α-helix	trans	-67.7	-43.5	177.1	0	0	0	0	0	112.7	K230 M231 L232 G237 F238	K230-G234 PolarHBondContact O-N 3.28Å; M231-G234 PolarHBondContact O-N 3.41Å; L232-G234 VanDerWaalsContact C-N 3.34Å; G234-G237 PolarHBondContact O-N 3.37Å; G234-F238 WeakPolarHBondContact O-CB 3.12Å; G234-F238 PolarHBondContact O-N 2.98Å
235	V	76.9	Confident	72.5	Confident	87 Å²	87	92.8 Å²	92.8	53%	0.527	53%	0.527	S	S	.	.	H	α-helix	trans	-65.6	-42.7	175.7	174.7	0	0	0	0	110.8	M231 G237 F238 V239	M231-V235 WeakPolarHBondContact O-CG2 3.38Å; M231-V235 PolarHBondContact O-N 3.03Å; V235-G237 PolarHBondContact O-N 2.87Å; V235-F238 PolarHBondContact O-N 3.02Å; V235-V239 HydrophobicContact CG1-CG2 4.45Å; V235-V239 WeakPolarHBondContact O-CG2 3.34Å; V235-V239 PolarHBondContact O-N 3Å
236	G	75.6	Confident	74.1	Confident	34 Å²	34	87.8 Å²	87.8	35%	0.351	51%	0.512	S	S	.	.	H	α-helix	trans	-59.5	-44.4	175	0	0	0	0	0	112.9	L232 L240	L232-G236 PolarHBondContact O-N 3.44Å; G236-L240 WeakPolarHBondContact O-CG 3.43Å; G236-L240 PolarHBondContact O-N 3.4Å; G236-L240 VanDerWaalsContact O-N 3.09Å
237	G	82.5	Confident	75.9	Confident	43 Å²	43	90.1 Å²	90.1	44%	0.443	52%	0.521	S	S	.	.	H	α-helix	trans	-64.9	-39.4	176.5	0	0	0	0	0	113.5	S233 G234 V235 G241	S233-G237 PolarHBondContact O-N 2.96Å; G234-G237 PolarHBondContact O-N 3.37Å; V235-G237 PolarHBondContact O-N 2.87Å; G237-G241 PolarHBondContact O-N 3.09Å
238	F	84.7	Confident	77.6	Confident	142 Å²	142	89.4 Å²	89.4	62%	0.623	52%	0.519	S	S	*	.	H	α-helix	trans	-66.9	-42.9	178.3	-173	-102.2	0	0	0	112.3	G234 V235 G241 L242	G234-F238 WeakPolarHBondContact O-CB 3.12Å; G234-F238 PolarHBondContact O-N 2.98Å; V235-F238 PolarHBondContact O-N 3.02Å; F238-G241 PolarHBondContact O-N 2.89Å; F238-L242 HydrophobicContact CD1-CD1 3.95Å; F238-L242 HydrophobicContact CD1-CG 4.41Å; F238-L242 HydrophobicContact CE1-CD1 3.49Å; F238-L242 VanDerWaalsContact CE1-CD1 3.49Å; F238-L242 HydrophobicContact CE1-CG 4.1Å; F238-L242 HydrophobicContact CZ-CD1 4.09Å; F238-L242 HydrophobicContact CZ-CD2 4.46Å; F238-L242 HydrophobicContact CZ-CG 4.34Å; F238-L242 PolarHBondContact O-N 3.03Å
239	V	87.8	Confident	79.2	Confident	74 Å²	74	87.9 Å²	87.9	45%	0.448	51%	0.514	S	S	.	.	H	α-helix	trans	-63.1	-45	176.5	173.4	0	0	0	0	110.9	V235 G241 L242 I243	V235-V239 HydrophobicContact CG1-CG2 4.45Å; V235-V239 WeakPolarHBondContact O-CG2 3.34Å; V235-V239 PolarHBondContact O-N 3Å; V239-G241 VanDerWaalsContact C-N 3.32Å; V239-G241 PolarHBondContact O-N 3.33Å; V239-L242 PolarHBondContact O-N 3.2Å; V239-I243 HydrophobicContact CG1-CD1 4.08Å; V239-I243 WeakPolarHBondContact O-CG1 3.48Å; V239-I243 PolarHBondContact O-N 2.86Å; V239-I243 VanDerWaalsContact O-N 3.1Å
240	L	87.7	Confident	80.4	Confident	102 Å²	102	88.7 Å²	88.7	53%	0.534	51%	0.512	S	S	.	.	H	α-helix	trans	-59.9	-43.3	174.7	-73.1	169.7	0	0	0	111.4	G236 L242 I243 F244	G236-L240 WeakPolarHBondContact O-CG 3.43Å; G236-L240 PolarHBondContact O-N 3.4Å; G236-L240 VanDerWaalsContact O-N 3.09Å; L240-L242 PolarHBondContact O-N 2.93Å; L240-I243 PolarHBondContact O-N 2.99Å; L240-F244 WeakPolarHBondContact O-CD2 3.33Å; L240-F244 PolarHBondContact O-N 3.36Å; L240-F244 VanDerWaalsContact O-N 3.08Å
241	G	88.1	Confident	81.6	Confident	33 Å²	33	87.3 Å²	87.3	34%	0.34	51%	0.511	S	S	.	.	H	α-helix	trans	-59	-43	176.3	0	0	0	0	0	113.6	G237 F238 V239 F244 L245	G237-G241 PolarHBondContact O-N 3.09Å; F238-G241 PolarHBondContact O-N 2.89Å; V239-G241 VanDerWaalsContact C-N 3.32Å; V239-G241 PolarHBondContact O-N 3.33Å; G241-F244 PolarHBondContact O-N 2.95Å; G241-L245 WeakPolarHBondContact O-CB 3.5Å; G241-L245 PolarHBondContact O-N 2.95Å
242	L	91.6	Very high	82.6	Confident	94 Å²	94	88.3 Å²	88.3	49%	0.492	51%	0.507	S	S	.	.	H	α-helix	trans	-65.7	-37.4	176.6	-72.4	178.9	0	0	0	112.7	F238 V239 L240 L245 G246	F238-L242 HydrophobicContact CD1-CD1 3.95Å; F238-L242 HydrophobicContact CD1-CG 4.41Å; F238-L242 HydrophobicContact CE1-CD1 3.49Å; F238-L242 VanDerWaalsContact CE1-CD1 3.49Å; F238-L242 HydrophobicContact CE1-CG 4.1Å; F238-L242 HydrophobicContact CZ-CD1 4.09Å; F238-L242 HydrophobicContact CZ-CD2 4.46Å; F238-L242 HydrophobicContact CZ-CG 4.34Å; F238-L242 PolarHBondContact O-N 3.03Å; V239-L242 PolarHBondContact O-N 3.2Å; L240-L242 PolarHBondContact O-N 2.93Å; L242-L245 PolarHBondContact O-N 3.37Å; L242-G246 PolarHBondContact O-N 2.89Å
243	I	90.5	Very high	83.3	Confident	89 Å²	89	87.9 Å²	87.9	46%	0.456	50%	0.501	S	S	.	.	H	α-helix	trans	-62.9	-46.7	175.9	-67.7	165.8	0	0	0	110.3	V239 L240 G246 L247	V239-I243 HydrophobicContact CG1-CD1 4.08Å; V239-I243 WeakPolarHBondContact O-CG1 3.48Å; V239-I243 PolarHBondContact O-N 2.86Å; V239-I243 VanDerWaalsContact O-N 3.1Å; L240-I243 PolarHBondContact O-N 2.99Å; I243-G246 PolarHBondContact O-N 3Å; I243-L247 HydrophobicContact CG2-CD1 3.87Å; I243-L247 WeakPolarHBondContact O-CB 3.27Å; I243-L247 WeakPolarHBondContact O-CG 3.47Å; I243-L247 PolarHBondContact O-N 3.01Å
244	F	89.1	Confident	83.4	Confident	148 Å²	148	92.9 Å²	92.9	65%	0.649	51%	0.506	S	S	*	.	H	α-helix	trans	-64.6	-39.5	177.8	-78.1	-68.6	0	0	0	112.7	L240 G241 G248	L240-F244 WeakPolarHBondContact O-CD2 3.33Å; L240-F244 PolarHBondContact O-N 3.36Å; L240-F244 VanDerWaalsContact O-N 3.08Å; G241-F244 PolarHBondContact O-N 2.95Å; F244-G248 PolarHBondContact O-N 2.64Å
245	L	89.6	Confident	83.1	Confident	114 Å²	114	95.2 Å²	95.2	60%	0.597	52%	0.515	S	S	*	.	H	α-helix	trans	-63	-45.4	174.3	-95.4	157.3	0	0	0	112.3	G241 L242 G248 L249	G241-L245 WeakPolarHBondContact O-CB 3.5Å; G241-L245 PolarHBondContact O-N 2.95Å; L242-L245 PolarHBondContact O-N 3.37Å; L245-G248 PolarHBondContact O-N 2.94Å; L245-L249 WeakPolarHBondContact O-CG 3.46Å; L245-L249 PolarHBondContact O-N 3.39Å
246	G	87.6	Confident	82.4	Confident	32 Å²	32	97.7 Å²	97.7	33%	0.33	52%	0.521	S	S	.	.	H	α-helix	trans	-61.2	-47.7	176.5	0	0	0	0	0	112.3	L242 I243 G248 L249 I250	L242-G246 PolarHBondContact O-N 2.89Å; I243-G246 PolarHBondContact O-N 3Å; G246-G248 PolarHBondContact O-N 2.74Å; G246-L249 PolarHBondContact O-N 2.96Å; G246-I250 WeakPolarHBondContact O-CG1 3.45Å; G246-I250 PolarHBondContact O-N 3.12Å
247	L	89.2	Confident	81.7	Confident	89 Å²	89	104.2 Å²	104.2	47%	0.466	54%	0.54	S	S	.	.	H	α-helix	trans	-61.3	-42.8	175.9	-74.3	168.3	0	0	0	111.9	I243 L249 I250 I251	I243-L247 HydrophobicContact CG2-CD1 3.87Å; I243-L247 WeakPolarHBondContact O-CB 3.27Å; I243-L247 WeakPolarHBondContact O-CG 3.47Å; I243-L247 PolarHBondContact O-N 3.01Å; L247-L249 PolarHBondContact O-N 3.32Å; L247-I250 PolarHBondContact O-N 3.43Å; L247-I251 VanDerWaalsContact O-CG1 3.32Å; L247-I251 WeakPolarHBondContact O-CG1 3.46Å; L247-I251 PolarHBondContact O-N 3.49Å
248	G	85.8	Confident	80.3	Confident	39 Å²	39	104.8 Å²	104.8	40%	0.402	55%	0.545	S	S	.	.	H	α-helix	trans	-60.8	-41.7	176.4	0	0	0	0	0	112.9	F244 L245 G246 R252	F244-G248 PolarHBondContact O-N 2.64Å; L245-G248 PolarHBondContact O-N 2.94Å; G246-G248 PolarHBondContact O-N 2.74Å; G248-R252 WeakPolarHBondContact O-CB 3.38Å; G248-R252 PolarHBondContact O-N 2.92Å
249	L	85.6	Confident	78.8	Confident	96 Å²	96	104.4 Å²	104.4	50%	0.503	56%	0.557	S	S	.	*	H	α-helix	trans	-66.4	-40.1	175.7	-74.1	171.1	0	0	0	112.3	L245 G246 L247 R252 Q253	L245-L249 WeakPolarHBondContact O-CG 3.46Å; L245-L249 PolarHBondContact O-N 3.39Å; G246-L249 PolarHBondContact O-N 2.96Å; L247-L249 PolarHBondContact O-N 3.32Å; L249-R252 PolarHBondContact O-N 3.35Å; L249-Q253 WeakPolarHBondContact O-CB 3.49Å; L249-Q253 WeakPolarHBondContact O-CG 3.14Å; L249-Q253 PolarHBondContact O-N 2.9Å
250	I	83.3	Confident	77.2	Confident	88 Å²	88	110.3 Å²	110.3	45%	0.451	58%	0.58	S	S	.	*	H	α-helix	trans	-64.2	-45.8	176.6	-69.2	167.7	0	0	0	110.9	G246 L247 R252 Q253 R254	G246-I250 WeakPolarHBondContact O-CG1 3.45Å; G246-I250 PolarHBondContact O-N 3.12Å; L247-I250 PolarHBondContact O-N 3.43Å; I250-R252 VanDerWaalsContact C-N 3.33Å; I250-R252 PolarHBondContact O-N 3.28Å; I250-Q253 PolarHBondContact O-N 3.38Å; I250-R254 WeakPolarHBondContact O-CB 3.35Å; I250-R254 WeakPolarHBondContact O-CG 3.25Å; I250-R254 PolarHBondContact O-N 3.1Å
251	I	82.1	Confident	75.5	Confident	116 Å²	116	108.5 Å²	108.5	60%	0.595	59%	0.586	S	S	*	*	H	α-helix	trans	-62.4	-43.5	178	-67.7	167.6	0	0	0	110.1	L247 Q253 R254 S255	L247-I251 VanDerWaalsContact O-CG1 3.32Å; L247-I251 WeakPolarHBondContact O-CG1 3.46Å; L247-I251 PolarHBondContact O-N 3.49Å; I251-Q253 PolarHBondContact O-N 3.49Å; I251-R254 PolarHBondContact O-N 3.42Å; I251-S255 WeakPolarHBondContact O-CB 3.32Å; I251-S255 PolarHBondContact O-N 3.35Å
252	R	77.3	Confident	74	Confident	163 Å²	163	112.9 Å²	112.9	62%	0.615	61%	0.608	S	S	*	*	H	α-helix	trans	-62	-43.4	176.4	-179	178.1	151.6	165.2	-6.2	112.2	G248 L249 I250 S255 Q256	G248-R252 WeakPolarHBondContact O-CB 3.38Å; G248-R252 PolarHBondContact O-N 2.92Å; L249-R252 PolarHBondContact O-N 3.35Å; I250-R252 VanDerWaalsContact C-N 3.33Å; I250-R252 PolarHBondContact O-N 3.28Å; R252-S255 PolarHBondContact O-N 3.02Å; R252-Q256 WeakPolarHBondContact O-CG 3.39Å; R252-Q256 PolarHBondContact O-N 3.35Å
253	Q	74.5	Confident	72.2	Confident	126 Å²	126	114.1 Å²	114.1	59%	0.589	62%	0.622	S	S	*	*	H	α-helix	trans	-66.7	-35.4	176.3	-75.2	-175	2.1	0	0	112.6	L249 I250 I251 Q256 K257	L249-Q253 WeakPolarHBondContact O-CB 3.49Å; L249-Q253 WeakPolarHBondContact O-CG 3.14Å; L249-Q253 PolarHBondContact O-N 2.9Å; I250-Q253 PolarHBondContact O-N 3.38Å; I251-Q253 PolarHBondContact O-N 3.49Å; Q253-Q256 PolarHBondContact O-N 3.06Å; Q253-K257 PolarHBondContact O-N 3.2Å
254	R	70.3	Confident	70.3	Confident	196 Å²	196	116 Å²	116	74%	0.74	64%	0.64	S	S	*	*	H	α-helix	trans	-70.5	-36.6	173.7	-77	-171.5	175	-177.8	-0.4	112.4	I250 I251 Q256 K257	I250-R254 WeakPolarHBondContact O-CB 3.35Å; I250-R254 WeakPolarHBondContact O-CG 3.25Å; I250-R254 PolarHBondContact O-N 3.1Å; I251-R254 PolarHBondContact O-N 3.42Å; R254-Q256 VanDerWaalsContact C-N 3.31Å; R254-Q256 PolarHBondContact O-N 3.42Å; R254-K257 CarbonylContact O-C 3.59Å; R254-K257 PolarHBondContact O-N 3.21Å; R254-K257 VanDerWaalsContact O-O 3.06Å
255	S	65.4	Low	68.4	Low	95 Å²	95	113.8 Å²	113.8	66%	0.664	65%	0.649	S	S	*	*	H	α-helix	trans	-65.5	-33.9	173.9	166.4	0	0	0	0	112.5	I251 R252 K257	I251-S255 WeakPolarHBondContact O-CB 3.32Å; I251-S255 PolarHBondContact O-N 3.35Å; R252-S255 PolarHBondContact O-N 3.02Å; S255-K257 VanDerWaalsContact C-N 3.28Å
256	Q	63.1	Low	66.1	Low	139 Å²	139	112.3 Å²	112.3	65%	0.65	66%	0.662	S	S	*	*	H	α-helix	trans	-75.9	-15.6	174.9	-70.8	-175.2	-3.3	0	0	113.4	R252 Q253 R254	R252-Q256 WeakPolarHBondContact O-CG 3.39Å; R252-Q256 PolarHBondContact O-N 3.35Å; Q253-Q256 PolarHBondContact O-N 3.06Å; R254-Q256 VanDerWaalsContact C-N 3.31Å; R254-Q256 PolarHBondContact O-N 3.42Å
257	K	59.6	Low	64.1	Low	171 Å²	171	118.5 Å²	118.5	74%	0.743	69%	0.686	S	S	*	*	S	Bend	trans	-99.4	78.2	170.1	-68.7	-176	-179.7	-176.4	0	109.4	Q253 R254 S255	Q253-K257 PolarHBondContact O-N 3.2Å; R254-K257 CarbonylContact O-C 3.59Å; R254-K257 PolarHBondContact O-N 3.21Å; R254-K257 VanDerWaalsContact O-O 3.06Å; S255-K257 VanDerWaalsContact C-N 3.28Å
258	G	53	Low	61.7	Low	55 Å²	55	121.5 Å²	121.5	57%	0.567	70%	0.702	S	S	*	*			trans	-58.4	155.3	170.9	0	0	0	0	0	112.3	Q260	G258-Q260 PolarHBondContact O-N 3.05Å
259	P	53.6	Low	59.6	Low	134 Å²	134	132.2 Å²	132.2	87%	0.87	74%	0.741	S	S	*	*			trans	-67.4	129.1	-174.5	2.6	7.9	0	0	0	111.4	G261	P259-G261 PolarHBondContact O-N 3.07Å
260	Q	53.9	Low	58.3	Low	197 Å²	197	134 Å²	134	92%	0.921	75%	0.753	S	S	*	*			trans	-68.9	110.7	165	-78.8	-175.2	-19.3	0	0	108.6	G258	G258-Q260 PolarHBondContact O-N 3.05Å
261	G	52.7	Low	57	Low	64 Å²	64	136.4 Å²	136.4	66%	0.66	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-68.5	152.9	172.2	0	0	0	0	0	111.8	P259	P259-G261 PolarHBondContact O-N 3.07Å
262	P	55.6	Low	55.6	Low	125 Å²	125	137.6 Å²	137.6	81%	0.812	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-74.9	153.9	-175.3	29.8	-30.9	0	0	0	112.3
263	P	54.8	Low	54.3	Low	120 Å²	120	136.1 Å²	136.1	78%	0.779	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-75.9	150.1	-174.7	31.3	-33.9	0	0	0	112.1
264	P	49.7	Very low	53.1	Low	128 Å²	128	136.7 Å²	136.7	83%	0.831	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-76.9	142.1	-178.5	29.9	-32.5	0	0	0	112.5
265	A	50.3	Low	51.9	Low	103 Å²	103	132.7 Å²	132.7	85%	0.851	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-71.4	128.5	171.1	0	0	0	0	0	110.7
266	G	40.8	Very low	50.9	Low	83 Å²	83	135.4 Å²	135.4	86%	0.856	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-81.9	138	172.2	0	0	0	0	0	111.8
267	L	44.7	Very low	50	Low	162 Å²	162	135.2 Å²	135.2	85%	0.848	83%	0.827	S	S	*	*			trans	-121.6	119.9	176.3	-131.9	151.3	0	0	0	108.5
268	L	40.3	Very low	49.2	Very low	151 Å²	151	132.2 Å²	132.2	79%	0.791	83%	0.834	S	S	*	*			trans	15.4	122.4	158.3	-61.8	162.8	0	0	0	119.8
269	H	41.1	Very low	48.9	Very low	264 Å²	264	139.2 Å²	139.2	100%	1.222	86%	0.858	S	S	*	*				-152.8	0	122.3	-117.1	-62.3	0	0	0	111.3

Retrieved 269 of 269 residues in 135.6 ms (Link to these results)

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