A0A077ZEZ7_TRITR Loading...

protein kinase C

AlphaFold DB , UniProt , Accession A0A077ZEZ7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 749 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	40.5	Very low	71.6	Confident	210 Å²	210	126.5 Å²	126.5	100%	1.034	67%	0.666	S	S	*	*				0	145.6	0	-69.7	-172.4	-84.6	0	0	107.7
2	G	43.4	Very low	72.1	Confident	62 Å²	62	131.2 Å²	131.2	64%	0.639	67%	0.668	S	S	*	*			trans	-68.8	153.4	178.3	0	0	0	0	0	111.6	H4	G2-H4 PolarHBondContact O-N 3.29Å
3	V	55.8	Low	72.6	Confident	142 Å²	142	133.2 Å²	133.2	86%	0.861	67%	0.673	S	S	*	*			trans	-75	92.8	176.8	-176.7	0	0	0	0	108.8
4	H	72.3	Confident	73.2	Confident	128 Å²	128	128.6 Å²	128.6	59%	0.593	66%	0.655	S	S	*	*			trans	-77.4	124.2	169.5	-85	-74.7	0	0	0	110	G2 C31	G2-H4 PolarHBondContact O-N 3.29Å; H4-C31 VanDerWaalsContact CB-SG 3.52Å; H4-C31 VanDerWaalsContact CG-SG 3.53Å
5	K	80.3	Confident	73.9	Confident	146 Å²	146	122.6 Å²	122.6	64%	0.635	63%	0.625	S	S	*	*			trans	-117.2	140.6	166.3	-89.1	-172.4	167.7	-170.2	0	109
6	E	83.3	Confident	74.9	Confident	93 Å²	93	120.3 Å²	120.3	44%	0.435	61%	0.614	S	S	.	*			trans	-132.1	137.5	173.3	-170.5	153	-122.6	0	0	107.7	L27 K30	E6-L27 HydrophobicContact CB-CD1 3.71Å; E6-K30 IonicContact OE1-NZ 3.07Å; E6-K30 PolarHBondContact OE1-NZ 3.18Å; E6-K30 IonicContact OE2-NZ 3.33Å; E6-K30 PolarHBondContact OE2-NZ 2.74Å
7	F	86	Confident	75.5	Confident	206 Å²	206	117.9 Å²	117.9	90%	0.904	61%	0.611	S	S	*	*			trans	-91.9	119.1	178.1	-77	-87.5	0	0	0	109.2
8	V	83.6	Confident	76.1	Confident	78 Å²	78	114.8 Å²	114.8	47%	0.473	61%	0.606	S	S	.	*			trans	-98.9	132.8	175.4	-178.5	0	0	0	0	108.6	A10 Y19 Q23	V8-A10 HydrophobicContact CG1-CB 4.47Å; V8-Y19 HydrophobicContact CG1-CE1 4.15Å; V8-Y19 WeakPolarHBondContact CG1-OH 3.41Å; V8-Q23 HydrophobicContact CG1-CG 4.13Å; V8-Q23 HydrophobicContact CG2-CB 4.48Å; V8-Q23 HydrophobicContact CG2-CG 4.46Å
9	N	82.6	Confident	76.9	Confident	162 Å²	162	111.6 Å²	111.6	87%	0.866	59%	0.585	S	S	*	*			trans	-118.6	116.1	174.5	-159.3	5.6	0	0	0	108
10	A	80.3	Confident	77.5	Confident	33 Å²	33	107.4 Å²	107.4	27%	0.273	56%	0.563	S	S	.	*			trans	-137.1	141.4	-169.6	0	0	0	0	0	110.9	V8 L15 Y19	V8-A10 HydrophobicContact CG1-CB 4.47Å; A10-L15 HydrophobicContact CB-CD1 4.24Å; A10-Y19 HydrophobicContact CB-CE1 3.66Å
11	Q	79.7	Confident	78	Confident	132 Å²	132	104.9 Å²	104.9	62%	0.617	55%	0.55	S	S	*	*			trans	-76.3	143.4	173.3	-73	-174.7	-49.5	0	0	110.1	E13 T14 L15	Q11-E13 PolarHBondContact O-N 3.06Å; Q11-T14 HydrophobicContact CB-CG2 4.42Å; Q11-T14 PolarHBondContact N-OG1 2.86Å; Q11-T14 PolarHBondContact O-N 2.68Å; Q11-T14 PolarHBondContact O-OG1 2.98Å; Q11-L15 PolarHBondContact O-N 3.41Å
12	R	77.4	Confident	80.4	Confident	182 Å²	182	100.8 Å²	100.8	69%	0.687	53%	0.528	S	S	*	.	G	3₁₀ helix	trans	-67.1	-27.8	-171.2	-157.6	169.6	-167.2	169.5	3.2	112.3	T14	R12-T14 VanDerWaalsContact C-N 3.3Å; R12-T14 PolarHBondContact O-N 2.9Å
13	E	79	Confident	82.6	Confident	157 Å²	157	101 Å²	101	73%	0.734	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-67.5	-26.8	172.2	-45.3	89	-96.7	0	0	113.6	Q11	Q11-E13 PolarHBondContact O-N 3.06Å
14	T	80.5	Confident	84.2	Confident	69 Å²	69	94.4 Å²	94.4	42%	0.423	47%	0.473	S	S	.	.	G	3₁₀ helix	trans	-92.6	-2.8	-178.2	59	0	0	0	0	113.9	Q11 R12 D16	Q11-T14 HydrophobicContact CB-CG2 4.42Å; Q11-T14 PolarHBondContact N-OG1 2.86Å; Q11-T14 PolarHBondContact O-N 2.68Å; Q11-T14 PolarHBondContact O-OG1 2.98Å; R12-T14 VanDerWaalsContact C-N 3.3Å; R12-T14 PolarHBondContact O-N 2.9Å; T14-D16 PolarHBondContact O-N 2.72Å; T14-D16 VanDerWaalsContact O-N 3.14Å
15	L	84.4	Confident	85	Confident	39 Å²	39	90 Å²	90	20%	0.204	45%	0.453	C	S	.	.			trans	-91.9	80.2	-165.2	-148.8	162.2	0	0	0	110.9	A10 Q11 L20 P61 I64	A10-L15 HydrophobicContact CB-CD1 4.24Å; Q11-L15 PolarHBondContact O-N 3.41Å; L15-L20 HydrophobicContact CD2-CD1 3.83Å; L15-L20 HydrophobicContact CD2-CD2 4.03Å; L15-L20 HydrophobicContact CD2-CG 4.02Å; L15-P61 HydrophobicContact CD2-CB 4.16Å; L15-P61 VanDerWaalsContact O-CB 3.25Å; L15-P61 WeakPolarHBondContact O-CB 3.32Å; L15-I64 HydrophobicContact CD1-CG2 4.34Å; L15-I64 HydrophobicContact CD2-CB 4.34Å; L15-I64 HydrophobicContact CD2-CD1 4.27Å
16	D	89.3	Confident	85.4	Confident	85 Å²	85	84.2 Å²	84.2	46%	0.455	44%	0.435	S	S	.	.			trans	-110.3	177.4	176.3	78.3	18.6	0	0	0	113.4	T14 A18 Y19 L20	T14-D16 PolarHBondContact O-N 2.72Å; T14-D16 VanDerWaalsContact O-N 3.14Å; D16-A18 VanDerWaalsContact C-N 3.28Å; D16-A18 PolarHBondContact O-N 3.1Å; D16-A18 WeakPolarHBondContact OD1-CA 3.36Å; D16-A18 WeakPolarHBondContact OD1-CB 3.36Å; D16-A18 PolarHBondContact OD1-N 3.24Å; D16-Y19 PolarHBondContact OD1-N 3.29Å; D16-L20 WeakPolarHBondContact O-CG 3.21Å; D16-L20 PolarHBondContact O-N 2.89Å; D16-L20 VanDerWaalsContact O-N 3.16Å
17	S	84.5	Confident	85.6	Confident	80 Å²	80	81.6 Å²	81.6	56%	0.559	42%	0.424	S	S	*	.	H	α-helix	trans	-65.9	-28.6	-179.3	-55.3	0	0	0	0	113.3	L21 P61	S17-L21 WeakPolarHBondContact O-CB 3.49Å; S17-L21 PolarHBondContact O-N 2.95Å; S17-L21 VanDerWaalsContact O-N 3.17Å; S17-P61 VanDerWaalsContact OG-CG 3.31Å; S17-P61 WeakPolarHBondContact OG-CG 3.23Å
18	A	86.7	Confident	85.5	Confident	63 Å²	63	72.3 Å²	72.3	52%	0.521	38%	0.384	S	S	.	.	H	α-helix	trans	-76.1	-45.6	-179.6	0	0	0	0	0	110.5	D16 L20 L21 E22	D16-A18 VanDerWaalsContact C-N 3.28Å; D16-A18 PolarHBondContact O-N 3.1Å; D16-A18 WeakPolarHBondContact OD1-CA 3.36Å; D16-A18 WeakPolarHBondContact OD1-CB 3.36Å; D16-A18 PolarHBondContact OD1-N 3.24Å; A18-L20 VanDerWaalsContact C-N 3.35Å; A18-L20 PolarHBondContact O-N 2.83Å; A18-L21 PolarHBondContact O-N 3.3Å; A18-E22 WeakPolarHBondContact O-CB 3.45Å; A18-E22 PolarHBondContact O-N 3.27Å
19	Y	90.7	Very high	85.6	Confident	54 Å²	54	76.2 Å²	76.2	21%	0.212	39%	0.39	C	S	.	.	H	α-helix	trans	-56.6	-47.2	173.6	178.2	-95.2	0	0	0	111.6	V8 A10 D16 L21 E22 Q23	V8-Y19 HydrophobicContact CG1-CE1 4.15Å; V8-Y19 WeakPolarHBondContact CG1-OH 3.41Å; A10-Y19 HydrophobicContact CB-CE1 3.66Å; D16-Y19 PolarHBondContact OD1-N 3.29Å; Y19-L21 PolarHBondContact O-N 3.11Å; Y19-E22 PolarHBondContact O-N 2.87Å; Y19-Q23 HydrophobicContact CD1-CG 4.21Å; Y19-Q23 HydrophobicContact CE1-CG 3.76Å; Y19-Q23 HydrophobicContact CE2-CG 4.34Å; Y19-Q23 WeakPolarHBondContact O-CG 3.41Å; Y19-Q23 PolarHBondContact O-N 2.99Å
20	L	89.6	Confident	85.7	Confident	27 Å²	27	75 Å²	75	14%	0.141	38%	0.377	C	S	.	.	H	α-helix	trans	-62.4	-41	178.3	-71.7	168.7	0	0	0	112.7	L15 D16 A18 A24 L44 L58 P61 I64	L15-L20 HydrophobicContact CD2-CD1 3.83Å; L15-L20 HydrophobicContact CD2-CD2 4.03Å; L15-L20 HydrophobicContact CD2-CG 4.02Å; D16-L20 WeakPolarHBondContact O-CG 3.21Å; D16-L20 PolarHBondContact O-N 2.89Å; D16-L20 VanDerWaalsContact O-N 3.16Å; A18-L20 VanDerWaalsContact C-N 3.35Å; A18-L20 PolarHBondContact O-N 2.83Å; L20-A24 WeakPolarHBondContact O-CB 3.13Å; L20-A24 PolarHBondContact O-N 2.73Å; L20-L44 HydrophobicContact CB-CD1 4.01Å; L20-L58 HydrophobicContact CD1-CD2 3.98Å; L20-P61 HydrophobicContact CD1-CB 4.05Å; L20-P61 HydrophobicContact CD1-CG 4.29Å; L20-I64 HydrophobicContact CD1-CD1 3.67Å; L20-I64 HydrophobicContact CD2-CD1 3.48Å; L20-I64 VanDerWaalsContact CD2-CD1 3.48Å; L20-I64 HydrophobicContact CG-CD1 4.23Å
21	L	88.5	Confident	85.7	Confident	55 Å²	55	75.5 Å²	75.5	29%	0.288	38%	0.378	S	S	.	.	H	α-helix	trans	-67.5	-37	176.5	-159.5	69.7	0	0	0	111.5	S17 A18 Y19 A24 M25 A39 V42	S17-L21 WeakPolarHBondContact O-CB 3.49Å; S17-L21 PolarHBondContact O-N 2.95Å; S17-L21 VanDerWaalsContact O-N 3.17Å; A18-L21 PolarHBondContact O-N 3.3Å; Y19-L21 PolarHBondContact O-N 3.11Å; L21-A24 PolarHBondContact O-N 3.36Å; L21-M25 WeakPolarHBondContact O-CB 3Å; L21-M25 WeakPolarHBondContact O-CG 3.43Å; L21-M25 PolarHBondContact O-N 3.16Å; L21-A39 HydrophobicContact CD2-CB 4.02Å; L21-V42 HydrophobicContact CD1-CB 3.99Å; L21-V42 HydrophobicContact CD1-CG1 4.18Å
22	E	90	Very high	85.6	Confident	123 Å²	123	70.3 Å²	70.3	58%	0.575	36%	0.356	S	S	*	.	H	α-helix	trans	-66	-45.5	176.2	-174.2	171	-143.1	0	0	112	A18 Y19 A24 M25 G26	A18-E22 WeakPolarHBondContact O-CB 3.45Å; A18-E22 PolarHBondContact O-N 3.27Å; Y19-E22 PolarHBondContact O-N 2.87Å; E22-A24 VanDerWaalsContact C-N 3.33Å; E22-A24 PolarHBondContact O-N 3.5Å; E22-M25 PolarHBondContact O-N 3.38Å; E22-G26 PolarHBondContact O-N 3.32Å
23	Q	90.3	Very high	85.3	Confident	67 Å²	67	66.3 Å²	66.3	31%	0.313	35%	0.353	S	S	.	.	H	α-helix	trans	-58.8	-44.9	173.2	-66.2	-57	-43.2	0	0	111.2	V8 Y19 M25 G26 L27	V8-Q23 HydrophobicContact CG1-CG 4.13Å; V8-Q23 HydrophobicContact CG2-CB 4.48Å; V8-Q23 HydrophobicContact CG2-CG 4.46Å; Y19-Q23 HydrophobicContact CD1-CG 4.21Å; Y19-Q23 HydrophobicContact CE1-CG 3.76Å; Y19-Q23 HydrophobicContact CE2-CG 4.34Å; Y19-Q23 WeakPolarHBondContact O-CG 3.41Å; Y19-Q23 PolarHBondContact O-N 2.99Å; Q23-M25 PolarHBondContact O-N 3.17Å; Q23-G26 PolarHBondContact O-N 3.43Å; Q23-L27 PolarHBondContact O-N 3.49Å
24	A	89.9	Confident	84.7	Confident	4 Å²	4	66.5 Å²	66.5	3%	0.033	36%	0.359	C	S	.	.	H	α-helix	trans	-62	-43.7	176.6	0	0	0	0	0	112.6	L20 L21 E22 G26 L27 I28 V42 L44 V72	L20-A24 WeakPolarHBondContact O-CB 3.13Å; L20-A24 PolarHBondContact O-N 2.73Å; L21-A24 PolarHBondContact O-N 3.36Å; E22-A24 VanDerWaalsContact C-N 3.33Å; E22-A24 PolarHBondContact O-N 3.5Å; A24-G26 VanDerWaalsContact C-N 3.31Å; A24-G26 PolarHBondContact O-N 3.02Å; A24-L27 PolarHBondContact O-N 3.44Å; A24-I28 WeakPolarHBondContact O-CD1 3.35Å; A24-I28 VanDerWaalsContact O-CG1 3.24Å; A24-I28 WeakPolarHBondContact O-CG1 3.24Å; A24-I28 PolarHBondContact O-N 3.3Å; A24-V42 HydrophobicContact CB-CG1 4.08Å; A24-L44 HydrophobicContact CB-CD2 3.69Å; A24-V72 HydrophobicContact CB-CG1 3.88Å; A24-V72 HydrophobicContact CB-CG2 3.86Å
25	M	88.1	Confident	83.7	Confident	35 Å²	35	68.6 Å²	68.6	17%	0.172	36%	0.364	C	S	.	.	H	α-helix	trans	-69.4	-26.5	175	-72.4	-155	79.6	0	0	113.4	L21 E22 Q23 R29 C37 A39 V42	L21-M25 WeakPolarHBondContact O-CB 3Å; L21-M25 WeakPolarHBondContact O-CG 3.43Å; L21-M25 PolarHBondContact O-N 3.16Å; E22-M25 PolarHBondContact O-N 3.38Å; Q23-M25 PolarHBondContact O-N 3.17Å; M25-R29 WeakPolarHBondContact O-CB 3.38Å; M25-R29 WeakPolarHBondContact O-CG 3.36Å; M25-R29 PolarHBondContact O-N 3.24Å; M25-R29 VanDerWaalsContact O-N 3.08Å; M25-R29 PolarHBondContact O-NE 2.78Å; M25-C37 HydrophobicContact CE-CB 3.97Å; M25-C37 VanDerWaalsContact CE-O 3.31Å; M25-C37 WeakPolarHBondContact CE-O 3.48Å; M25-A39 HydrophobicContact SD-CB 3.78Å; M25-V42 HydrophobicContact CG-CG2 4.36Å
26	G	88.7	Confident	82.4	Confident	25 Å²	25	70.6 Å²	70.6	26%	0.258	39%	0.394	S	S	.	.	H	α-helix	trans	-66.7	-48.3	169.9	0	0	0	0	0	111.7	E22 Q23 A24 I28 R29 K30	E22-G26 PolarHBondContact O-N 3.32Å; Q23-G26 PolarHBondContact O-N 3.43Å; A24-G26 VanDerWaalsContact C-N 3.31Å; A24-G26 PolarHBondContact O-N 3.02Å; G26-I28 PolarHBondContact O-N 2.82Å; G26-R29 PolarHBondContact O-N 2.88Å; G26-K30 PolarHBondContact O-N 2.8Å; G26-K30 VanDerWaalsContact O-N 3.12Å
27	L	87.6	Confident	80.9	Confident	37 Å²	37	68 Å²	68	19%	0.194	38%	0.383	C	S	.	.	H	α-helix	trans	-59.7	-46.3	175.2	-171.4	71.3	0	0	0	111.4	E6 Q23 A24 R29 K30 C31 V72	E6-L27 HydrophobicContact CB-CD1 3.71Å; Q23-L27 PolarHBondContact O-N 3.49Å; A24-L27 PolarHBondContact O-N 3.44Å; L27-R29 PolarHBondContact O-N 3.4Å; L27-K30 PolarHBondContact O-N 3.05Å; L27-C31 WeakPolarHBondContact O-CB 3.38Å; L27-C31 PolarHBondContact O-N 3.45Å; L27-C31 PolarHBondContact O-SG 2.68Å; L27-V72 HydrophobicContact CD2-CG2 4.19Å
28	I	84.9	Confident	80	Confident	12 Å²	12	68 Å²	68	6%	0.062	38%	0.379	C	S	.	.	H	α-helix	trans	-59.7	-43.8	176.8	-68.5	163.1	0	0	0	111.1	A24 G26 K30 C31 C32 C37 V42 V72 I74	A24-I28 WeakPolarHBondContact O-CD1 3.35Å; A24-I28 VanDerWaalsContact O-CG1 3.24Å; A24-I28 WeakPolarHBondContact O-CG1 3.24Å; A24-I28 PolarHBondContact O-N 3.3Å; G26-I28 PolarHBondContact O-N 2.82Å; I28-K30 VanDerWaalsContact C-N 3.32Å; I28-K30 PolarHBondContact O-N 3.49Å; I28-C31 PolarHBondContact O-N 3.32Å; I28-C32 WeakPolarHBondContact O-CA 3.28Å; I28-C32 PolarHBondContact O-N 3.39Å; I28-C37 HydrophobicContact CG2-CB 3.88Å; I28-V42 HydrophobicContact CD1-CG1 4.1Å; I28-V42 HydrophobicContact CD1-CG2 3.68Å; I28-V72 HydrophobicContact CD1-CG1 3.7Å; I28-V72 HydrophobicContact CG1-CG1 4.01Å; I28-I74 HydrophobicContact CD1-CD1 4.01Å; I28-I74 HydrophobicContact CD1-CG1 3.81Å; I28-I74 HydrophobicContact CG1-CD1 4.01Å; I28-I74 HydrophobicContact CG1-CG1 4.21Å; I28-I74 HydrophobicContact CG2-CD1 3.68Å
29	R	85.1	Confident	79.1	Confident	159 Å²	159	67 Å²	67	60%	0.6	37%	0.37	S	S	*	.	H	α-helix	trans	-62.9	-35	177.9	-86.3	-179.1	-80.4	177.6	-7	113.2	M25 G26 L27 P33	M25-R29 WeakPolarHBondContact O-CB 3.38Å; M25-R29 WeakPolarHBondContact O-CG 3.36Å; M25-R29 PolarHBondContact O-N 3.24Å; M25-R29 VanDerWaalsContact O-N 3.08Å; M25-R29 PolarHBondContact O-NE 2.78Å; G26-R29 PolarHBondContact O-N 2.88Å; L27-R29 PolarHBondContact O-N 3.4Å; R29-P33 WeakPolarHBondContact O-CA 3.3Å
30	K	84.2	Confident	78.2	Confident	138 Å²	138	68.5 Å²	68.5	60%	0.6	38%	0.382	S	S	*	.	H	α-helix	trans	-70.1	-45.6	173	-72.7	175.5	-177.9	161.1	0	112.4	E6 G26 L27 I28	E6-K30 IonicContact OE1-NZ 3.07Å; E6-K30 PolarHBondContact OE1-NZ 3.18Å; E6-K30 IonicContact OE2-NZ 3.33Å; E6-K30 PolarHBondContact OE2-NZ 2.74Å; G26-K30 PolarHBondContact O-N 2.8Å; G26-K30 VanDerWaalsContact O-N 3.12Å; L27-K30 PolarHBondContact O-N 3.05Å; I28-K30 VanDerWaalsContact C-N 3.32Å; I28-K30 PolarHBondContact O-N 3.49Å
31	C	81.5	Confident	77.5	Confident	43 Å²	43	69.8 Å²	69.8	29%	0.291	39%	0.385	S	S	.	.	H	α-helix	trans	-79.6	-32.7	-172.4	-59.7	0	0	0	0	113.3	H4 L27 I28	H4-C31 VanDerWaalsContact CB-SG 3.52Å; H4-C31 VanDerWaalsContact CG-SG 3.53Å; L27-C31 WeakPolarHBondContact O-CB 3.38Å; L27-C31 PolarHBondContact O-N 3.45Å; L27-C31 PolarHBondContact O-SG 2.68Å; I28-C31 PolarHBondContact O-N 3.32Å
32	C	76.2	Confident	77.3	Confident	23 Å²	23	67.7 Å²	67.7	16%	0.155	38%	0.375	C	S	.	.			trans	-135.6	56.3	-170.2	-61.5	0	0	0	0	111.8	I28 N34 Q35	I28-C32 WeakPolarHBondContact O-CA 3.28Å; I28-C32 PolarHBondContact O-N 3.39Å; C32-N34 PolarHBondContact O-N 2.72Å; C32-Q35 HydrophobicContact CB-CB 4.34Å; C32-Q35 PolarHBondContact O-N 2.69Å
33	P	71.9	Confident	77.2	Confident	97 Å²	97	64.8 Å²	64.8	63%	0.63	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-23.1	-171.3	23.2	-34.9	0	0	0	114.7	R29	R29-P33 WeakPolarHBondContact O-CA 3.3Å
34	N	65.4	Low	77.2	Confident	161 Å²	161	62.7 Å²	62.7	86%	0.861	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-3.4	-178.7	-62.6	-11.2	0	0	0	114.1	C32	C32-N34 PolarHBondContact O-N 2.72Å
35	Q	59.3	Low	77.3	Confident	113 Å²	113	64.5 Å²	64.5	53%	0.528	36%	0.361	S	S	.	.	S	Bend	trans	-97.5	111.5	174.1	-76.5	-169.3	-15	0	0	110.4	C32 C37	C32-Q35 HydrophobicContact CB-CB 4.34Å; C32-Q35 PolarHBondContact O-N 2.69Å; Q35-C37 PolarHBondContact O-N 3.48Å
36	G	58.4	Low	77.5	Confident	81 Å²	81	64 Å²	64	84%	0.835	36%	0.359	S	S	*	.			trans	-59.3	101.6	169.8	0	0	0	0	0	110.4
37	C	57	Low	77.6	Confident	32 Å²	32	64.9 Å²	64.9	22%	0.216	36%	0.356	C	S	.	.			trans	-94.1	128.7	-177.4	-165.8	0	0	0	0	110.1	M25 I28 Q35	M25-C37 HydrophobicContact CE-CB 3.97Å; M25-C37 VanDerWaalsContact CE-O 3.31Å; M25-C37 WeakPolarHBondContact CE-O 3.48Å; I28-C37 HydrophobicContact CG2-CB 3.88Å; Q35-C37 PolarHBondContact O-N 3.48Å
38	V	65.3	Low	77.5	Confident	80 Å²	80	65.6 Å²	65.6	49%	0.485	36%	0.36	S	S	.	.			trans	-109.8	132.4	176.5	-156.3	0	0	0	0	107.4	D40 R41	V38-D40 VanDerWaalsContact CB-OD1 3.26Å; V38-D40 WeakPolarHBondContact CB-OD1 3.37Å; V38-D40 WeakPolarHBondContact CG1-OD1 3.08Å; V38-D40 PolarHBondContact O-N 2.84Å; V38-D40 VanDerWaalsContact O-N 3.15Å; V38-R41 WeakPolarHBondContact O-CB 3.32Å; V38-R41 PolarHBondContact O-N 3.43Å
39	A	68.5	Low	77.5	Confident	40 Å²	40	72.6 Å²	72.6	33%	0.331	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-59.3	-31.7	-166.3	0	0	0	0	0	113.7	L21 M25 R41 V42	L21-A39 HydrophobicContact CD2-CB 4.02Å; M25-A39 HydrophobicContact SD-CB 3.78Å; A39-R41 PolarHBondContact O-N 3.47Å; A39-R41 VanDerWaalsContact O-N 3.15Å; A39-V42 PolarHBondContact O-N 3.32Å; A39-V42 VanDerWaalsContact O-N 3.14Å
40	D	72	Confident	77.4	Confident	87 Å²	87	72.7 Å²	72.7	47%	0.465	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-67.9	-6.5	177.2	71.4	-55.3	0	0	0	114.5	V38 R77	V38-D40 VanDerWaalsContact CB-OD1 3.26Å; V38-D40 WeakPolarHBondContact CB-OD1 3.37Å; V38-D40 WeakPolarHBondContact CG1-OD1 3.08Å; V38-D40 PolarHBondContact O-N 2.84Å; V38-D40 VanDerWaalsContact O-N 3.15Å; D40-R77 VanDerWaalsContact O-CZ 3.25Å; D40-R77 PolarHBondContact O-NH1 3.26Å; D40-R77 PolarHBondContact O-NH2 3.49Å; D40-R77 IonicContact OD2-NH1 2.88Å; D40-R77 PolarHBondContact OD2-NH1 2.92Å
41	R	73.9	Confident	77.1	Confident	53 Å²	53	68.3 Å²	68.3	20%	0.2	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-99.8	-8.9	174.4	-61.4	-174.5	-177.2	-144.3	-9.1	113.6	V38 A39 I74 A75 N78	V38-R41 WeakPolarHBondContact O-CB 3.32Å; V38-R41 PolarHBondContact O-N 3.43Å; A39-R41 PolarHBondContact O-N 3.47Å; A39-R41 VanDerWaalsContact O-N 3.15Å; R41-I74 HydrophobicContact CB-CG2 4.43Å; R41-A75 WeakPolarHBondContact CB-O 3.35Å; R41-A75 WeakPolarHBondContact O-CB 3.16Å; R41-A75 PolarHBondContact O-N 3.19Å; R41-N78 VanDerWaalsContact NH2-CG 3.3Å; R41-N78 PolarHBondContact NH2-ND2 3.43Å; R41-N78 PolarHBondContact NH2-OD1 2.97Å
42	V	84.3	Confident	76.5	Confident	12 Å²	12	75.1 Å²	75.1	7%	0.073	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	123.5	-178	-175.3	0	0	0	0	109.4	L21 A24 M25 I28 A39 L44 V72	L21-V42 HydrophobicContact CD1-CB 3.99Å; L21-V42 HydrophobicContact CD1-CG1 4.18Å; A24-V42 HydrophobicContact CB-CG1 4.08Å; M25-V42 HydrophobicContact CG-CG2 4.36Å; I28-V42 HydrophobicContact CD1-CG1 4.1Å; I28-V42 HydrophobicContact CD1-CG2 3.68Å; A39-V42 PolarHBondContact O-N 3.32Å; A39-V42 VanDerWaalsContact O-N 3.14Å; V42-L44 HydrophobicContact CG1-CD2 4.26Å; V42-V72 HydrophobicContact CG1-CG1 3.77Å
43	L	88.3	Confident	76.4	Confident	62 Å²	62	79.4 Å²	79.4	33%	0.325	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	141.6	171.4	-62.1	177.1	0	0	0	109.1	F45 L57 V73 A75	L43-F45 HydrophobicContact CB-CD2 4.36Å; L43-F45 HydrophobicContact CB-CE2 3.74Å; L43-F45 HydrophobicContact CD1-CE2 4.26Å; L43-F45 HydrophobicContact CD1-CZ 4.48Å; L43-L57 HydrophobicContact CB-CD1 4.32Å; L43-L57 HydrophobicContact CD2-CD1 4.35Å; L43-V73 HydrophobicContact CB-CB 4.45Å; L43-V73 PolarHBondContact N-O 3.29Å; L43-V73 PolarHBondContact O-N 3.31Å; L43-A75 HydrophobicContact CD1-CB 4.03Å; L43-A75 HydrophobicContact CG-CB 4.31Å
44	L	90.6	Very high	77	Confident	23 Å²	23	77.4 Å²	77.4	12%	0.12	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	128.5	178.9	-59.4	179.8	0	0	0	108.8	L20 A24 V42 L58 V70 V72	L20-L44 HydrophobicContact CB-CD1 4.01Å; A24-L44 HydrophobicContact CB-CD2 3.69Å; V42-L44 HydrophobicContact CG1-CD2 4.26Å; L44-L58 HydrophobicContact CB-CB 3.96Å; L44-L58 HydrophobicContact CB-CD2 4.08Å; L44-L58 HydrophobicContact CD1-CD2 4.08Å; L44-L58 WeakPolarHBondContact O-CB 3.44Å; L44-L58 PolarHBondContact O-N 3.47Å; L44-V70 HydrophobicContact CB-CG1 3.95Å; L44-V70 HydrophobicContact CD2-CG1 4.26Å; L44-V72 HydrophobicContact CD2-CB 4.41Å; L44-V72 HydrophobicContact CD2-CG1 4.3Å; L44-V72 HydrophobicContact CD2-CG2 3.87Å
45	F	92.6	Very high	78	Confident	42 Å²	42	72.6 Å²	72.6	18%	0.184	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	127.4	178	-71.8	-93.8	0	0	0	110.5	L43 L55 Q56 L57 V70 E71 V73	L43-F45 HydrophobicContact CB-CD2 4.36Å; L43-F45 HydrophobicContact CB-CE2 3.74Å; L43-F45 HydrophobicContact CD1-CE2 4.26Å; L43-F45 HydrophobicContact CD1-CZ 4.48Å; F45-L55 HydrophobicContact CB-CB 4.15Å; F45-L55 HydrophobicContact CB-CD2 3.77Å; F45-L55 HydrophobicContact CD1-CB 3.95Å; F45-L55 HydrophobicContact CG-CB 4.31Å; F45-Q56 CarbonylContact C-O 3.57Å; F45-Q56 VanDerWaalsContact CA-O 3.26Å; F45-Q56 WeakPolarHBondContact CA-O 3.41Å; F45-L57 HydrophobicContact CD1-CB 4.25Å; F45-L57 HydrophobicContact CD1-CD1 4.33Å; F45-L57 HydrophobicContact CD2-CD1 4.47Å; F45-L57 HydrophobicContact CE1-CB 3.96Å; F45-L57 HydrophobicContact CE1-CD1 3.88Å; F45-L57 HydrophobicContact CE2-CD1 4.04Å; F45-L57 HydrophobicContact CZ-CD1 3.72Å; F45-V70 CarbonylContact O-C 3.47Å; F45-V70 VanDerWaalsContact O-CA 3.3Å; F45-V70 WeakPolarHBondContact O-CA 3.36Å; F45-E71 PolarHBondContact N-O 3.43Å; F45-E71 PolarHBondContact O-N 3.36Å; F45-V73 HydrophobicContact CD2-CB 4.21Å; F45-V73 HydrophobicContact CD2-CG2 3.72Å; F45-V73 HydrophobicContact CE2-CB 4.14Å; F45-V73 HydrophobicContact CE2-CG2 4.03Å
46	L	92.4	Very high	79.3	Confident	24 Å²	24	71 Å²	71	13%	0.126	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	133.6	174	-159.2	120.7	0	0	0	109.4	N48 Q56 L58 I64 C68 V70	L46-N48 PolarHBondContact O-N 3.19Å; L46-Q56 PolarHBondContact N-O 3.25Å; L46-Q56 PolarHBondContact O-N 3.48Å; L46-L58 HydrophobicContact CB-CD1 4.36Å; L46-L58 HydrophobicContact CD1-CD1 3.78Å; L46-I64 HydrophobicContact CD1-CG1 4.02Å; L46-C68 HydrophobicContact CD1-CB 4.01Å; L46-C68 HydrophobicContact CG-CB 4.47Å; L46-V70 HydrophobicContact CD1-CG2 4.26Å
47	H	89.5	Confident	80.8	Confident	44 Å²	44	71.5 Å²	71.5	20%	0.204	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	117.1	172.7	-77.7	-137.1	0	0	0	110.2	Y49 V54 T69 E71	H47-Y49 HydrophobicContact CB-CE2 3.88Å; H47-Y49 AromaticContact ND1-CZ 3.55Å; H47-Y49 PolarHBondContact ND1-OH 3.29Å; H47-V54 CarbonylContact C-O 3.15Å; H47-V54 WeakPolarHBondContact CA-O 3.34Å; H47-T69 PolarHBondContact N-O 3.04Å; H47-E71 IonicContact NE2-OE2 2.65Å
48	N	85.7	Confident	82.3	Confident	51 Å²	51	71.2 Å²	71.2	27%	0.273	37%	0.371	S	S	.	.			trans	-124.7	95.5	172.2	-175.2	-14.9	0	0	0	110.3	L46 D50 T51 V54 Q56	L46-N48 PolarHBondContact O-N 3.19Å; N48-D50 PolarHBondContact O-N 2.94Å; N48-D50 PolarHBondContact OD1-N 3.4Å; N48-D50 VanDerWaalsContact OD1-N 3.11Å; N48-T51 PolarHBondContact O-N 2.94Å; N48-T51 PolarHBondContact O-OG1 2.94Å; N48-T51 VanDerWaalsContact O-OG1 3.08Å; N48-V54 PolarHBondContact N-O 2.65Å; N48-V54 WeakPolarHBondContact O-CA 3.41Å; N48-Q56 HydrophobicContact CB-CG 3.78Å
49	Y	84.6	Confident	83.2	Confident	160 Å²	160	71.9 Å²	71.9	63%	0.627	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-11.9	-176.5	-62.8	-77.7	0	0	0	114.4	H47 T51 V54	H47-Y49 HydrophobicContact CB-CE2 3.88Å; H47-Y49 AromaticContact ND1-CZ 3.55Å; H47-Y49 PolarHBondContact ND1-OH 3.29Å; Y49-T51 VanDerWaalsContact C-N 3.28Å; Y49-V54 HydrophobicContact CD1-CG1 3.74Å; Y49-V54 HydrophobicContact CE1-CG1 3.84Å; Y49-V54 HydrophobicContact CG-CG1 4.41Å
50	D	83.5	Confident	84.2	Confident	160 Å²	160	72.4 Å²	72.4	86%	0.856	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-1.5	178.4	-55.3	-46.7	0	0	0	112.7	N48	N48-D50 PolarHBondContact O-N 2.94Å; N48-D50 PolarHBondContact OD1-N 3.4Å; N48-D50 VanDerWaalsContact OD1-N 3.11Å
51	T	77.9	Confident	84.8	Confident	47 Å²	47	69.5 Å²	69.5	29%	0.288	37%	0.366	S	S	.	.	S	Bend	trans	-118	146.2	-178.8	67.7	0	0	0	0	112.1	N48 Y49 N53 Q56	N48-T51 PolarHBondContact O-N 2.94Å; N48-T51 PolarHBondContact O-OG1 2.94Å; N48-T51 VanDerWaalsContact O-OG1 3.08Å; Y49-T51 VanDerWaalsContact C-N 3.28Å; T51-N53 PolarHBondContact O-N 2.96Å; T51-N53 PolarHBondContact OG1-O 3.5Å; T51-N53 VanDerWaalsContact OG1-O 3.08Å; T51-Q56 PolarHBondContact OG1-NE2 3.19Å
52	N	70.2	Confident	85.4	Confident	185 Å²	185	70.7 Å²	70.7	99%	0.989	39%	0.388	S	S	*	.	S	Bend	trans	-56.7	-21.4	176.5	-77.5	-26.8	0	0	0	113.9
53	N	72.8	Confident	85.6	Confident	113 Å²	113	74.3 Å²	74.3	60%	0.604	40%	0.403	S	S	*	.	S	Bend	trans	-115.8	88.6	175.3	-164.9	21.9	0	0	0	109.3	T51 L55 Q56	T51-N53 PolarHBondContact O-N 2.96Å; T51-N53 PolarHBondContact OG1-O 3.5Å; T51-N53 VanDerWaalsContact OG1-O 3.08Å; N53-L55 PolarHBondContact O-N 3.43Å; N53-L55 VanDerWaalsContact O-N 3.08Å; N53-Q56 PolarHBondContact O-NE2 3.02Å
54	V	85.2	Confident	85.6	Confident	56 Å²	56	72.5 Å²	72.5	34%	0.339	39%	0.394	S	S	.	.	S	Bend	trans	-57.7	-27.1	-168.7	-179.6	0	0	0	0	113.3	H47 N48 Y49	H47-V54 CarbonylContact C-O 3.15Å; H47-V54 WeakPolarHBondContact CA-O 3.34Å; N48-V54 PolarHBondContact N-O 2.65Å; N48-V54 WeakPolarHBondContact O-CA 3.41Å; Y49-V54 HydrophobicContact CD1-CG1 3.74Å; Y49-V54 HydrophobicContact CE1-CG1 3.84Å; Y49-V54 HydrophobicContact CG-CG1 4.41Å
55	L	85.3	Confident	85.4	Confident	59 Å²	59	75.3 Å²	75.3	31%	0.309	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	103.6	175.9	-70	169.2	0	0	0	110.5	F45 N53 E71	F45-L55 HydrophobicContact CB-CB 4.15Å; F45-L55 HydrophobicContact CB-CD2 3.77Å; F45-L55 HydrophobicContact CD1-CB 3.95Å; F45-L55 HydrophobicContact CG-CB 4.31Å; N53-L55 PolarHBondContact O-N 3.43Å; N53-L55 VanDerWaalsContact O-N 3.08Å; L55-E71 HydrophobicContact CD2-CB 4.22Å; L55-E71 WeakPolarHBondContact CD2-OE2 3.47Å
56	Q	87.7	Confident	85.1	Confident	81 Å²	81	81.6 Å²	81.6	38%	0.379	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	128.8	174.6	-65.6	-73.9	-31.7	0	0	109.3	F45 L46 N48 T51 N53 L58	F45-Q56 CarbonylContact C-O 3.57Å; F45-Q56 VanDerWaalsContact CA-O 3.26Å; F45-Q56 WeakPolarHBondContact CA-O 3.41Å; L46-Q56 PolarHBondContact N-O 3.25Å; L46-Q56 PolarHBondContact O-N 3.48Å; N48-Q56 HydrophobicContact CB-CG 3.78Å; T51-Q56 PolarHBondContact OG1-NE2 3.19Å; N53-Q56 PolarHBondContact O-NE2 3.02Å; Q56-L58 PolarHBondContact O-N 3.34Å
57	L	89.9	Confident	84.8	Confident	90 Å²	90	84 Å²	84	47%	0.471	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	121.5	177.5	-176.3	72	0	0	0	110	L43 F45 S59	L43-L57 HydrophobicContact CB-CD1 4.32Å; L43-L57 HydrophobicContact CD2-CD1 4.35Å; F45-L57 HydrophobicContact CD1-CB 4.25Å; F45-L57 HydrophobicContact CD1-CD1 4.33Å; F45-L57 HydrophobicContact CD2-CD1 4.47Å; F45-L57 HydrophobicContact CE1-CB 3.96Å; F45-L57 HydrophobicContact CE1-CD1 3.88Å; F45-L57 HydrophobicContact CE2-CD1 4.04Å; F45-L57 HydrophobicContact CZ-CD1 3.72Å; L57-S59 PolarHBondContact O-N 3.33Å; L57-S59 VanDerWaalsContact O-N 3.1Å; L57-S59 PolarHBondContact O-OG 3.12Å
58	L	88.3	Confident	84.8	Confident	26 Å²	26	84 Å²	84	14%	0.136	48%	0.482	C	S	.	.			trans	-67.3	112	177.3	-170.6	77.6	0	0	0	108.9	L20 L44 L46 Q56 Q63 I64	L20-L58 HydrophobicContact CD1-CD2 3.98Å; L44-L58 HydrophobicContact CB-CB 3.96Å; L44-L58 HydrophobicContact CB-CD2 4.08Å; L44-L58 HydrophobicContact CD1-CD2 4.08Å; L44-L58 WeakPolarHBondContact O-CB 3.44Å; L44-L58 PolarHBondContact O-N 3.47Å; L46-L58 HydrophobicContact CB-CD1 4.36Å; L46-L58 HydrophobicContact CD1-CD1 3.78Å; Q56-L58 PolarHBondContact O-N 3.34Å; L58-Q63 HydrophobicContact CD1-CB 3.92Å; L58-I64 HydrophobicContact CD1-CD1 4.32Å; L58-I64 HydrophobicContact CD1-CG1 3.84Å; L58-I64 HydrophobicContact CD2-CD1 3.9Å; L58-I64 HydrophobicContact CD2-CG1 4.31Å
59	S	84.9	Confident	85	Confident	95 Å²	95	83.6 Å²	83.6	66%	0.664	48%	0.482	S	S	*	.			trans	-111.7	-16.9	-171.7	22.7	0	0	0	0	112.3	L57 Q63	L57-S59 PolarHBondContact O-N 3.33Å; L57-S59 VanDerWaalsContact O-N 3.1Å; L57-S59 PolarHBondContact O-OG 3.12Å; S59-Q63 PolarHBondContact OG-NE2 3.36Å; S59-Q63 PolarHBondContact OG-OE1 2.82Å
60	S	87.9	Confident	85.3	Confident	51 Å²	51	78.3 Å²	78.3	36%	0.357	47%	0.466	S	S	.	.			trans	-149.1	140.2	172.6	174.2	0	0	0	0	111.1	A62 Q63	S60-A62 PolarHBondContact O-N 2.95Å; S60-A62 VanDerWaalsContact O-N 3.13Å; S60-A62 PolarHBondContact OG-N 3.25Å; S60-Q63 WeakPolarHBondContact O-CB 3.04Å; S60-Q63 PolarHBondContact O-N 3.08Å; S60-Q63 PolarHBondContact O-OE1 3.06Å
61	P	86.3	Confident	85.7	Confident	25 Å²	25	75 Å²	75	16%	0.162	45%	0.445	C	S	.	.	G	3₁₀ helix	trans	-55.7	-27.7	172.3	-23.8	33.6	0	0	0	113.3	L15 S17 L20 Q63 I64	L15-P61 HydrophobicContact CD2-CB 4.16Å; L15-P61 VanDerWaalsContact O-CB 3.25Å; L15-P61 WeakPolarHBondContact O-CB 3.32Å; S17-P61 VanDerWaalsContact OG-CG 3.31Å; S17-P61 WeakPolarHBondContact OG-CG 3.23Å; L20-P61 HydrophobicContact CD1-CB 4.05Å; L20-P61 HydrophobicContact CD1-CG 4.29Å; P61-Q63 PolarHBondContact O-N 3.27Å; P61-Q63 VanDerWaalsContact O-N 3.12Å; P61-I64 PolarHBondContact O-N 3.13Å
62	A	86	Confident	86.2	Confident	79 Å²	79	74.7 Å²	74.7	65%	0.653	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-63.3	-16.3	177.9	0	0	0	0	0	114	S60 I64	S60-A62 PolarHBondContact O-N 2.95Å; S60-A62 VanDerWaalsContact O-N 3.13Å; S60-A62 PolarHBondContact OG-N 3.25Å; A62-I64 VanDerWaalsContact C-N 3.29Å
63	Q	88.2	Confident	86.9	Confident	87 Å²	87	68.5 Å²	68.5	41%	0.407	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-75.1	-17.4	174.2	-64.9	172.1	-49.2	0	0	112.7	L58 S59 S60 P61	L58-Q63 HydrophobicContact CD1-CB 3.92Å; S59-Q63 PolarHBondContact OG-NE2 3.36Å; S59-Q63 PolarHBondContact OG-OE1 2.82Å; S60-Q63 WeakPolarHBondContact O-CB 3.04Å; S60-Q63 PolarHBondContact O-N 3.08Å; S60-Q63 PolarHBondContact O-OE1 3.06Å; P61-Q63 PolarHBondContact O-N 3.27Å; P61-Q63 VanDerWaalsContact O-N 3.12Å
64	I	88.7	Confident	87.1	Confident	25 Å²	25	65.9 Å²	65.9	13%	0.128	40%	0.398	C	S	.	.			trans	-79.3	125.1	178.6	-61.9	-169.9	0	0	0	109.7	L15 L20 L46 L58 P61 A62 C68 V70	L15-I64 HydrophobicContact CD1-CG2 4.34Å; L15-I64 HydrophobicContact CD2-CB 4.34Å; L15-I64 HydrophobicContact CD2-CD1 4.27Å; L20-I64 HydrophobicContact CD1-CD1 3.67Å; L20-I64 HydrophobicContact CD2-CD1 3.48Å; L20-I64 VanDerWaalsContact CD2-CD1 3.48Å; L20-I64 HydrophobicContact CG-CD1 4.23Å; L46-I64 HydrophobicContact CD1-CG1 4.02Å; L58-I64 HydrophobicContact CD1-CD1 4.32Å; L58-I64 HydrophobicContact CD1-CG1 3.84Å; L58-I64 HydrophobicContact CD2-CD1 3.9Å; L58-I64 HydrophobicContact CD2-CG1 4.31Å; P61-I64 PolarHBondContact O-N 3.13Å; A62-I64 VanDerWaalsContact C-N 3.29Å; I64-C68 HydrophobicContact CG2-CB 4.49Å; I64-V70 HydrophobicContact CD1-CG2 4.01Å
65	T	86.6	Confident	86.3	Confident	81 Å²	81	64.5 Å²	64.5	50%	0.497	39%	0.392	S	S	.	.			trans	-124.2	171.5	172.2	67.2	0	0	0	0	110.1	G67 C68	T65-G67 PolarHBondContact O-N 3.08Å; T65-C68 PolarHBondContact N-SG 3.2Å; T65-C68 WeakPolarHBondContact O-CB 3.43Å; T65-C68 PolarHBondContact O-N 3.29Å; T65-C68 PolarHBondContact O-SG 3.19Å; T65-C68 VanDerWaalsContact O-SG 3.34Å; T65-C68 PolarHBondContact OG1-SG 3.02Å
66	N	85.4	Confident	85	Confident	175 Å²	175	65.7 Å²	65.7	94%	0.936	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	125.8	-172.2	-157.8	12.7	0	0	0	110.6
67	G	86.1	Confident	83.1	Confident	73 Å²	73	69.5 Å²	69.5	75%	0.753	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.8	-1.1	-175.8	0	0	0	0	0	116.2	T65 T69	T65-G67 PolarHBondContact O-N 3.08Å; G67-T69 PolarHBondContact O-N 3Å
68	C	89.5	Confident	80.9	Confident	44 Å²	44	70.4 Å²	70.4	30%	0.297	42%	0.415	S	S	.	.			trans	-57.9	136.9	172.9	-73.9	0	0	0	0	112	L46 I64 T65	L46-C68 HydrophobicContact CD1-CB 4.01Å; L46-C68 HydrophobicContact CG-CB 4.47Å; I64-C68 HydrophobicContact CG2-CB 4.49Å; T65-C68 PolarHBondContact N-SG 3.2Å; T65-C68 WeakPolarHBondContact O-CB 3.43Å; T65-C68 PolarHBondContact O-N 3.29Å; T65-C68 PolarHBondContact O-SG 3.19Å; T65-C68 VanDerWaalsContact O-SG 3.34Å; T65-C68 PolarHBondContact OG1-SG 3.02Å
69	T	90.4	Very high	78.9	Confident	43 Å²	43	72.5 Å²	72.5	26%	0.264	42%	0.424	S	S	.	.			trans	-94.5	126.8	166.7	-64.4	0	0	0	0	109.2	H47 G67	H47-T69 PolarHBondContact N-O 3.04Å; G67-T69 PolarHBondContact O-N 3Å
70	V	91.4	Very high	77.1	Confident	50 Å²	50	75.9 Å²	75.9	30%	0.303	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	125.3	172.6	-177.4	0	0	0	0	108.7	L44 F45 L46 I64	L44-V70 HydrophobicContact CB-CG1 3.95Å; L44-V70 HydrophobicContact CD2-CG1 4.26Å; F45-V70 CarbonylContact O-C 3.47Å; F45-V70 VanDerWaalsContact O-CA 3.3Å; F45-V70 WeakPolarHBondContact O-CA 3.36Å; L46-V70 HydrophobicContact CD1-CG2 4.26Å; I64-V70 HydrophobicContact CD1-CG2 4.01Å
71	E	90.7	Very high	75.4	Confident	89 Å²	89	75.6 Å²	75.6	42%	0.416	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	134.2	172.6	-172.9	166.1	-142.9	0	0	110.1	F45 H47 L55 V73	F45-E71 PolarHBondContact N-O 3.43Å; F45-E71 PolarHBondContact O-N 3.36Å; H47-E71 IonicContact NE2-OE2 2.65Å; L55-E71 HydrophobicContact CD2-CB 4.22Å; L55-E71 WeakPolarHBondContact CD2-OE2 3.47Å; E71-V73 HydrophobicContact CG-CG2 4.37Å
72	V	89.5	Confident	74.3	Confident	42 Å²	42	79.7 Å²	79.7	26%	0.255	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	116.7	-178.1	-177.7	0	0	0	0	109.2	A24 L27 I28 V42 L44	A24-V72 HydrophobicContact CB-CG1 3.88Å; A24-V72 HydrophobicContact CB-CG2 3.86Å; L27-V72 HydrophobicContact CD2-CG2 4.19Å; I28-V72 HydrophobicContact CD1-CG1 3.7Å; I28-V72 HydrophobicContact CG1-CG1 4.01Å; V42-V72 HydrophobicContact CG1-CG1 3.77Å; L44-V72 HydrophobicContact CD2-CB 4.41Å; L44-V72 HydrophobicContact CD2-CG1 4.3Å; L44-V72 HydrophobicContact CD2-CG2 3.87Å
73	V	84.1	Confident	73.8	Confident	54 Å²	54	76 Å²	76	33%	0.327	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	121.4	-176.4	-179.2	0	0	0	0	110	L43 F45 E71 A75	L43-V73 HydrophobicContact CB-CB 4.45Å; L43-V73 PolarHBondContact N-O 3.29Å; L43-V73 PolarHBondContact O-N 3.31Å; F45-V73 HydrophobicContact CD2-CB 4.21Å; F45-V73 HydrophobicContact CD2-CG2 3.72Å; F45-V73 HydrophobicContact CE2-CB 4.14Å; F45-V73 HydrophobicContact CE2-CG2 4.03Å; E71-V73 HydrophobicContact CG-CG2 4.37Å; V73-A75 PolarHBondContact O-N 3.15Å
74	I	78	Confident	73	Confident	58 Å²	58	75.5 Å²	75.5	30%	0.297	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	105.4	172.6	-51.5	176.8	0	0	0	108.7	I28 R41 N76	I28-I74 HydrophobicContact CD1-CD1 4.01Å; I28-I74 HydrophobicContact CD1-CG1 3.81Å; I28-I74 HydrophobicContact CG1-CD1 4.01Å; I28-I74 HydrophobicContact CG1-CG1 4.21Å; I28-I74 HydrophobicContact CG2-CD1 3.68Å; R41-I74 HydrophobicContact CB-CG2 4.43Å; I74-N76 PolarHBondContact O-N 3.28Å; I74-N76 VanDerWaalsContact O-N 3.13Å
75	A	67.7	Low	72.8	Confident	27 Å²	27	75 Å²	75	22%	0.223	42%	0.419	C	S	.	.			trans	-71.5	102	173	0	0	0	0	0	110.2	R41 L43 V73 R77	R41-A75 WeakPolarHBondContact CB-O 3.35Å; R41-A75 WeakPolarHBondContact O-CB 3.16Å; R41-A75 PolarHBondContact O-N 3.19Å; L43-A75 HydrophobicContact CD1-CB 4.03Å; L43-A75 HydrophobicContact CG-CB 4.31Å; V73-A75 PolarHBondContact O-N 3.15Å; A75-R77 VanDerWaalsContact C-N 3.29Å; A75-R77 PolarHBondContact O-N 3.41Å
76	N	57.2	Low	72.7	Confident	84 Å²	84	72.9 Å²	72.9	45%	0.449	41%	0.41	S	S	.	.			trans	-72.4	83.8	174.2	-170.7	11.8	0	0	0	111.3	I74 N78 E79	I74-N76 PolarHBondContact O-N 3.28Å; I74-N76 VanDerWaalsContact O-N 3.13Å; N76-N78 PolarHBondContact O-N 3.27Å; N76-N78 VanDerWaalsContact O-N 3.08Å; N76-N78 PolarHBondContact OD1-N 2.94Å; N76-E79 PolarHBondContact O-N 3.01Å
77	R	47.9	Very low	72.7	Confident	161 Å²	161	67.4 Å²	67.4	61%	0.608	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-6.7	175.9	-67.9	-176.7	175	172.7	-2.7	114.4	D40 A75	D40-R77 VanDerWaalsContact O-CZ 3.25Å; D40-R77 PolarHBondContact O-NH1 3.26Å; D40-R77 PolarHBondContact O-NH2 3.49Å; D40-R77 IonicContact OD2-NH1 2.88Å; D40-R77 PolarHBondContact OD2-NH1 2.92Å; A75-R77 VanDerWaalsContact C-N 3.29Å; A75-R77 PolarHBondContact O-N 3.41Å
78	N	43.7	Very low	72.6	Confident	110 Å²	110	66.4 Å²	66.4	59%	0.588	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	14.8	179.3	-76.1	18.5	0	0	0	114.3	R41 N76 Q80	R41-N78 VanDerWaalsContact NH2-CG 3.3Å; R41-N78 PolarHBondContact NH2-ND2 3.43Å; R41-N78 PolarHBondContact NH2-OD1 2.97Å; N76-N78 PolarHBondContact O-N 3.27Å; N76-N78 VanDerWaalsContact O-N 3.08Å; N76-N78 PolarHBondContact OD1-N 2.94Å; N78-Q80 PolarHBondContact O-N 3.02Å
79	E	46.7	Very low	72.2	Confident	70 Å²	70	68.3 Å²	68.3	33%	0.327	37%	0.372	S	S	.	.			trans	-69.2	76.6	160.6	-80.7	178.9	174.2	0	0	109.1	N76 P130 R131	N76-E79 PolarHBondContact O-N 3.01Å; E79-P130 HydrophobicContact CB-CB 3.49Å; E79-P130 VanDerWaalsContact CB-CB 3.49Å; E79-P130 WeakPolarHBondContact O-CA 3.26Å; E79-P130 VanDerWaalsContact O-CB 3.27Å; E79-P130 WeakPolarHBondContact O-CB 3.33Å; E79-R131 IonicContact OE1-NE 3.7Å; E79-R131 WeakPolarHBondContact OE2-CG 3.38Å; E79-R131 IonicContact OE2-CZ 3.59Å; E79-R131 IonicContact OE2-NE 3.83Å; E79-R131 PolarHBondContact OE2-NE 3.05Å; E79-R131 IonicContact OE2-NH2 2.81Å
80	Q	46.4	Very low	71.4	Confident	166 Å²	166	68.9 Å²	68.9	78%	0.776	37%	0.371	S	S	*	.			trans	-67.7	145.4	161.7	-78.9	-174.6	-19.8	0	0	109	N78 V82	N78-Q80 PolarHBondContact O-N 3.02Å; Q80-V82 PolarHBondContact O-N 3.46Å
81	L	52.9	Low	70.5	Confident	45 Å²	45	67.8 Å²	67.8	24%	0.236	37%	0.365	C	S	.	.			trans	-60.8	102.6	172.8	-74.5	165.5	0	0	0	109.8	A83 P84 N132 N133	L81-A83 PolarHBondContact O-N 3.28Å; L81-P84 HydrophobicContact CB-CB 4.11Å; L81-P84 HydrophobicContact CD1-CB 4.44Å; L81-N132 WeakPolarHBondContact CD2-O 3.42Å; L81-N133 WeakPolarHBondContact CA-OD1 3.22Å
82	V	62.6	Low	69.1	Low	110 Å²	110	64.6 Å²	64.6	67%	0.667	35%	0.349	S	S	*	.	S	Bend	trans	-64.1	-29.3	177.1	-173.3	0	0	0	0	111	Q80 N133	Q80-V82 PolarHBondContact O-N 3.46Å; V82-N133 PolarHBondContact N-OD1 3.47Å
83	A	75.3	Confident	67.5	Low	3 Å²	3	67.5 Å²	67.5	3%	0.025	36%	0.356	C	S	.	.	S	Bend	trans	-137.8	79.2	178.1	0	0	0	0	0	109.6	L81 N133 C134 A137 Q138	L81-A83 PolarHBondContact O-N 3.28Å; A83-N133 HydrophobicContact CB-CB 4.4Å; A83-N133 PolarHBondContact N-OD1 2.79Å; A83-C134 WeakPolarHBondContact O-CB 3.41Å; A83-C134 PolarHBondContact O-N 3Å; A83-A137 HydrophobicContact CB-CB 4Å; A83-Q138 HydrophobicContact CB-CB 4.41Å; A83-Q138 HydrophobicContact CB-CG 3.52Å
84	P	73.4	Confident	65.8	Low	75 Å²	75	66 Å²	66	49%	0.487	35%	0.349	S	S	.	.			trans	-65.5	144.3	-175.4	26.5	-33.4	0	0	0	111.7	L81	L81-P84 HydrophobicContact CB-CB 4.11Å; L81-P84 HydrophobicContact CD1-CB 4.44Å
85	H	83.3	Confident	64.7	Low	14 Å²	14	64 Å²	64	7%	0.065	34%	0.341	C	S	.	.			trans	-67.1	134.5	171.4	-70.7	-92	0	0	0	110.2	L87 C115 C118 F122 N132 C134	H85-L87 HydrophobicContact CB-CD1 3.91Å; H85-L87 HydrophobicContact CB-CD2 3.6Å; H85-L87 HydrophobicContact CB-CG 3.54Å; H85-L87 PolarHBondContact O-N 3.16Å; H85-C115 HydrophobicContact CB-CB 4.09Å; H85-C115 WeakPolarHBondContact ND1-CB 3.33Å; H85-C115 PolarHBondContact ND1-SG 3.42Å; H85-C115 VanDerWaalsContact ND1-SG 3.38Å; H85-C118 PolarHBondContact CE1-SG 3.19Å; H85-C118 PolarHBondContact ND1-SG 3.26Å; H85-F122 AromaticContact CE1-CE2 3.75Å; H85-F122 AromaticContact CE1-CZ 3.39Å; H85-F122 WeakPolarHBondContact CE1-CZ 3.28Å; H85-F122 AromaticContact ND1-CE2 3.69Å; H85-F122 AromaticContact ND1-CZ 3.83Å; H85-F122 AromaticContact NE2-CZ 3.67Å; H85-N132 PolarHBondContact CD2-O 3.23Å; H85-N132 PolarHBondContact NE2-O 3.33Å; H85-C134 HydrophobicContact CB-CB 4.34Å; H85-C134 VanDerWaalsContact CE1-CA 3.42Å; H85-C134 WeakPolarHBondContact CE1-CA 3.41Å; H85-C134 WeakPolarHBondContact ND1-CB 3.34Å; H85-C134 PolarHBondContact NE2-N 2.85Å
86	A	85.8	Confident	64	Low	37 Å²	37	64.2 Å²	64.2	31%	0.306	34%	0.339	S	S	.	.			trans	-78.9	107.5	163.5	0	0	0	0	0	107.5	C115 S116 K117	A86-C115 CarbonylContact O-C 3.6Å; A86-C115 WeakPolarHBondContact O-CA 3.38Å; A86-C115 PolarHBondContact O-SG 2.81Å; A86-S116 WeakPolarHBondContact CB-OG 3.45Å; A86-S116 PolarHBondContact O-N 3.26Å; A86-S116 PolarHBondContact O-OG 2.87Å; A86-K117 HydrophobicContact CB-CD 4.32Å; A86-K117 HydrophobicContact CB-CG 4.21Å
87	L	84.1	Confident	64.4	Low	61 Å²	61	62.8 Å²	62.8	32%	0.319	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	133.8	-164.6	-67	156.9	0	0	0	111.6	H85 L113 K114 C115 F122 A127	H85-L87 HydrophobicContact CB-CD1 3.91Å; H85-L87 HydrophobicContact CB-CD2 3.6Å; H85-L87 HydrophobicContact CB-CG 3.54Å; H85-L87 PolarHBondContact O-N 3.16Å; L87-L113 HydrophobicContact CB-CB 4.26Å; L87-L113 HydrophobicContact CB-CD2 4.43Å; L87-L113 HydrophobicContact CD1-CD1 4.3Å; L87-L113 HydrophobicContact CD2-CB 3.88Å; L87-L113 HydrophobicContact CG-CB 4.5Å; L87-K114 WeakPolarHBondContact CA-O 3.47Å; L87-C115 HydrophobicContact CD2-CB 4.2Å; L87-F122 HydrophobicContact CD2-CD2 3.75Å; L87-F122 HydrophobicContact CD2-CE2 4.11Å; L87-A127 HydrophobicContact CD1-CB 3.62Å; L87-A127 HydrophobicContact CD2-CB 4.14Å
88	S	84.6	Confident	65.5	Low	51 Å²	51	55.2 Å²	55.2	36%	0.357	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	135.8	167	51.5	0	0	0	0	110	Q90 L113 K114	S88-Q90 PolarHBondContact O-N 3.44Å; S88-L113 CarbonylContact O-C 3.56Å; S88-L113 WeakPolarHBondContact O-CA 3.31Å; S88-K114 PolarHBondContact N-O 3.43Å; S88-K114 PolarHBondContact O-N 3.15Å; S88-K114 PolarHBondContact OG-O 3.34Å
89	V	80.5	Confident	66.9	Low	84 Å²	84	53.9 Å²	53.9	51%	0.509	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	127.6	168.5	-176	0	0	0	0	108.3	R110 L113	V89-R110 HydrophobicContact CG1-CB 3.49Å; V89-R110 VanDerWaalsContact CG1-CB 3.49Å; V89-R110 HydrophobicContact CG1-CG 3.59Å; V89-L113 HydrophobicContact CB-CD2 4.34Å; V89-L113 HydrophobicContact CG2-CD2 3.68Å
90	Q	74.3	Confident	68.1	Low	55 Å²	55	55.2 Å²	55.2	26%	0.257	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	134.1	-171.8	-166.4	125.2	7.5	0	0	109.9	S88 Y92 R110 G112 K114	S88-Q90 PolarHBondContact O-N 3.44Å; Q90-Y92 HydrophobicContact CB-CE1 4.3Å; Q90-Y92 HydrophobicContact CB-CE2 3.89Å; Q90-Y92 HydrophobicContact CG-CD1 4.4Å; Q90-Y92 HydrophobicContact CG-CE1 3.96Å; Q90-Y92 HydrophobicContact CG-CE2 4.33Å; Q90-Y92 WeakPolarHBondContact O-CD2 3.26Å; Q90-Y92 WeakPolarHBondContact O-CE2 3.47Å; Q90-R110 WeakPolarHBondContact O-CA 3.43Å; Q90-G112 PolarHBondContact N-O 3.5Å; Q90-K114 HydrophobicContact CB-CB 4.11Å; Q90-K114 HydrophobicContact CG-CB 4.38Å
91	T	71.1	Confident	69	Low	27 Å²	27	50 Å²	50	17%	0.166	28%	0.277	C	S	.	.			trans	-82.7	137.5	163.6	-59	0	0	0	0	108.7	Y93 L108 V109 R110 Q111	T91-Y93 HydrophobicContact CG2-CD1 4.13Å; T91-Y93 HydrophobicContact CG2-CE1 3.64Å; T91-Y93 HydrophobicContact CG2-CE2 4.17Å; T91-L108 WeakPolarHBondContact CG2-O 3.45Å; T91-V109 HydrophobicContact CG2-CG1 4.28Å; T91-V109 VanDerWaalsContact OG1-CG1 3.3Å; T91-V109 WeakPolarHBondContact OG1-CG1 3.49Å; T91-R110 PolarHBondContact OG1-N 3.06Å; T91-Q111 VanDerWaalsContact CA-OE1 3.29Å
92	Y	61.7	Low	68.8	Low	22 Å²	22	49.4 Å²	49.4	9%	0.086	28%	0.282	C	S	.	.			trans	-122.9	115.5	177.8	-57.5	-86.5	0	0	0	109.1	Q90 A94 T96 L105 Q111 L113 K114 T121	Q90-Y92 HydrophobicContact CB-CE1 4.3Å; Q90-Y92 HydrophobicContact CB-CE2 3.89Å; Q90-Y92 HydrophobicContact CG-CD1 4.4Å; Q90-Y92 HydrophobicContact CG-CE1 3.96Å; Q90-Y92 HydrophobicContact CG-CE2 4.33Å; Q90-Y92 WeakPolarHBondContact O-CD2 3.26Å; Q90-Y92 WeakPolarHBondContact O-CE2 3.47Å; Y92-A94 PolarHBondContact O-N 2.81Å; Y92-T96 WeakPolarHBondContact CB-OG1 3.33Å; Y92-T96 HydrophobicContact CD1-CG2 3.71Å; Y92-T96 HydrophobicContact CE1-CG2 3.92Å; Y92-T96 HydrophobicContact CG-CG2 4.05Å; Y92-L105 HydrophobicContact CD2-CD1 3.85Å; Y92-L105 HydrophobicContact CE2-CD1 3.56Å; Y92-Q111 HydrophobicContact CD2-CB 4.32Å; Y92-Q111 PolarHBondContact O-NE2 2.72Å; Y92-L113 VanDerWaalsContact OH-C 3.31Å; Y92-L113 PolarHBondContact OH-O 3Å; Y92-K114 WeakPolarHBondContact OH-CB 3.38Å; Y92-K114 PolarHBondContact OH-N 3.11Å; Y92-T121 HydrophobicContact CE1-CG2 3.56Å; Y92-T121 WeakPolarHBondContact OH-CB 3.33Å; Y92-T121 WeakPolarHBondContact OH-CG2 3.32Å
93	Y	55.8	Low	68.5	Low	103 Å²	103	49.9 Å²	49.9	40%	0.404	28%	0.277	S	S	.	.	S	Bend	trans	-84.5	5.6	-174.4	-53.2	-82.7	0	0	0	113.3	T91 I266 E649	T91-Y93 HydrophobicContact CG2-CD1 4.13Å; T91-Y93 HydrophobicContact CG2-CE1 3.64Å; T91-Y93 HydrophobicContact CG2-CE2 4.17Å; Y93-I266 HydrophobicContact CD2-CG2 4.41Å; Y93-E649 WeakPolarHBondContact CD1-OE1 3.43Å; Y93-E649 WeakPolarHBondContact CE1-OE2 3.37Å
94	A	49.4	Very low	67.8	Low	22 Å²	22	51.9 Å²	51.9	18%	0.182	29%	0.287	C	S	.	.	S	Bend	trans	-137.4	160.5	178.5	0	0	0	0	0	110	Y92 T96 I266	Y92-A94 PolarHBondContact O-N 2.81Å; A94-T96 PolarHBondContact O-N 3.15Å; A94-T96 PolarHBondContact O-OG1 3.23Å; A94-I266 HydrophobicContact CB-CG2 4.46Å
95	P	54.4	Low	67.2	Low	18 Å²	18	48.7 Å²	48.7	12%	0.117	27%	0.266	C	S	.	.			trans	-58.9	95.8	179.7	-19	31.8	0	0	0	110.5	F97 I104 G609	P95-F97 HydrophobicContact CB-CE2 4.05Å; P95-F97 WeakPolarHBondContact O-CD2 3.39Å; P95-I104 HydrophobicContact CB-CD1 3.92Å; P95-G609 WeakPolarHBondContact CG-O 3.24Å
96	T	53.9	Low	65.7	Low	30 Å²	30	54.6 Å²	54.6	18%	0.184	30%	0.297	C	S	.	.			trans	-102.9	133.1	-177.2	-57.9	0	0	0	0	107.6	Y92 A94 L105 T121	Y92-T96 WeakPolarHBondContact CB-OG1 3.33Å; Y92-T96 HydrophobicContact CD1-CG2 3.71Å; Y92-T96 HydrophobicContact CE1-CG2 3.92Å; Y92-T96 HydrophobicContact CG-CG2 4.05Å; A94-T96 PolarHBondContact O-N 3.15Å; A94-T96 PolarHBondContact O-OG1 3.23Å; T96-L105 HydrophobicContact CG2-CD1 3.67Å; T96-L105 VanDerWaalsContact O-CB 3.23Å; T96-L105 WeakPolarHBondContact O-CB 3.46Å; T96-L105 VanDerWaalsContact O-CG 3.26Å; T96-L105 WeakPolarHBondContact O-CG 3.44Å; T96-L105 PolarHBondContact O-N 3.31Å; T96-T121 HydrophobicContact CG2-CG2 4.1Å
97	F	65.7	Low	64	Low	55 Å²	55	55.2 Å²	55.2	24%	0.241	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-106.9	141.8	-175.8	-68.6	-103.6	0	0	0	109.2	P95 D99 G102 E103 I104 T121 Q456	P95-F97 HydrophobicContact CB-CE2 4.05Å; P95-F97 WeakPolarHBondContact O-CD2 3.39Å; F97-D99 PolarHBondContact O-N 3.32Å; F97-G102 WeakPolarHBondContact CD1-O 3.35Å; F97-E103 WeakPolarHBondContact CA-O 3.45Å; F97-I104 HydrophobicContact CD1-CB 3.94Å; F97-I104 HydrophobicContact CE1-CB 3.73Å; F97-I104 HydrophobicContact CZ-CB 4.14Å; F97-I104 HydrophobicContact CZ-CD1 4.36Å; F97-T121 PolarHBondContact O-OG1 3.1Å; F97-T121 VanDerWaalsContact O-OG1 3.07Å; F97-Q456 HydrophobicContact CD2-CG 4.39Å; F97-Q456 VanDerWaalsContact CE2-CD 3.5Å
98	C	69.2	Low	62	Low	1 Å²	1	54.6 Å²	54.6	1%	0.007	30%	0.304	C	S	.	.			trans	-66.9	120.5	176.7	173.3	0	0	0	0	110.3	Y100 C101 G102 E103 L105 T121 F122 H123 C126	C98-Y100 PolarHBondContact O-N 3.41Å; C98-Y100 PolarHBondContact SG-N 2.85Å; C98-Y100 VanDerWaalsContact SG-N 3.43Å; C98-C101 VanDerWaalsContact CB-SG 3.54Å; C98-C101 PolarHBondContact O-N 3.46Å; C98-C101 VanDerWaalsContact SG-SG 3.67Å; C98-G102 WeakPolarHBondContact O-CA 3.34Å; C98-G102 PolarHBondContact O-N 3.05Å; C98-E103 PolarHBondContact N-O 3.19Å; C98-L105 HydrophobicContact CB-CD2 3.84Å; C98-T121 CarbonylContact C-O 3.56Å; C98-T121 WeakPolarHBondContact CA-O 3.5Å; C98-F122 VanDerWaalsContact SG-CA 3.55Å; C98-H123 WeakPolarHBondContact CB-ND1 3.31Å; C98-C126 WeakPolarHBondContact SG-CB 3.31Å
99	D	74.1	Confident	60.3	Low	82 Å²	82	56.1 Å²	56.1	44%	0.439	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-10	179.1	-70.9	-84.6	0	0	0	114.2	F97 L120 T121 F122	F97-D99 PolarHBondContact O-N 3.32Å; D99-L120 HydrophobicContact CB-CB 4.01Å; D99-L120 HydrophobicContact CB-CD1 4.45Å; D99-L120 HydrophobicContact CB-CD2 4.13Å; D99-L120 HydrophobicContact CB-CG 4.41Å; D99-T121 PolarHBondContact N-O 3.34Å; D99-T121 WeakPolarHBondContact OD2-CA 3.22Å; D99-T121 PolarHBondContact OD2-N 2.85Å; D99-T121 PolarHBondContact OD2-OG1 3.3Å; D99-F122 HydrophobicContact CB-CE1 4.13Å
100	Y	72	Confident	59.7	Low	98 Å²	98	59.9 Å²	59.9	38%	0.384	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-47.7	176.5	176.1	-101.9	0	0	0	113.6	C98 C126 A129 R131 N132	C98-Y100 PolarHBondContact O-N 3.41Å; C98-Y100 PolarHBondContact SG-N 2.85Å; C98-Y100 VanDerWaalsContact SG-N 3.43Å; Y100-C126 HydrophobicContact CD1-CB 3.86Å; Y100-C126 HydrophobicContact CG-CB 4.44Å; Y100-A129 HydrophobicContact CD1-CB 4.08Å; Y100-A129 HydrophobicContact CE1-CB 3.48Å; Y100-A129 VanDerWaalsContact CE1-CB 3.48Å; Y100-A129 HydrophobicContact CE2-CB 4.12Å; Y100-A129 VanDerWaalsContact CZ-CB 3.5Å; Y100-R131 HydrophobicContact CE2-CB 4.4Å; Y100-N132 HydrophobicContact CD2-CB 3.51Å; Y100-N132 HydrophobicContact CE2-CB 3.81Å; Y100-N132 HydrophobicContact CG-CB 4.13Å
101	C	66.2	Low	59.7	Low	57 Å²	57	58.1 Å²	58.1	39%	0.385	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-12.6	-176	64.4	0	0	0	0	114.4	C98 E103 H123	C98-C101 VanDerWaalsContact CB-SG 3.54Å; C98-C101 PolarHBondContact O-N 3.46Å; C98-C101 VanDerWaalsContact SG-SG 3.67Å; C101-E103 PolarHBondContact O-N 3.04Å; C101-H123 VanDerWaalsContact SG-CE1 3.55Å; C101-H123 PolarHBondContact SG-ND1 3.22Å; C101-H123 VanDerWaalsContact SG-ND1 3.37Å
102	G	48.7	Very low	60.2	Low	33 Å²	33	56.9 Å²	56.9	34%	0.34	30%	0.3	S	S	.	.			trans	74.6	1.9	-178.3	0	0	0	0	0	115.4	F97 C98	F97-G102 WeakPolarHBondContact CD1-O 3.35Å; C98-G102 WeakPolarHBondContact O-CA 3.34Å; C98-G102 PolarHBondContact O-N 3.05Å
103	E	55.7	Low	61.2	Low	119 Å²	119	57 Å²	57	56%	0.556	30%	0.302	S	S	*	.			trans	-86.3	154.5	175.7	-73.7	-70.9	146.7	0	0	111.7	F97 C98 C101 H123	F97-E103 WeakPolarHBondContact CA-O 3.45Å; C98-E103 PolarHBondContact N-O 3.19Å; C101-E103 PolarHBondContact O-N 3.04Å; E103-H123 PolarHBondContact O-CE1 3.26Å
104	I	59.2	Low	62.7	Low	46 Å²	46	54.5 Å²	54.5	24%	0.236	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-70	137.4	-177.4	-178.5	164.7	0	0	0	112.4	P95 F97 L106 H123	P95-I104 HydrophobicContact CB-CD1 3.92Å; F97-I104 HydrophobicContact CD1-CB 3.94Å; F97-I104 HydrophobicContact CE1-CB 3.73Å; F97-I104 HydrophobicContact CZ-CB 4.14Å; F97-I104 HydrophobicContact CZ-CD1 4.36Å; I104-L106 HydrophobicContact CG2-CD1 4.1Å; I104-L106 HydrophobicContact CG2-CD2 4.36Å; I104-L106 HydrophobicContact CG2-CG 3.91Å; I104-L106 PolarHBondContact O-N 3.41Å; I104-H123 PolarHBondContact O-NE2 3.45Å
105	L	61	Low	64.3	Low	8 Å²	8	53.4 Å²	53.4	4%	0.042	28%	0.284	C	S	.	.			trans	-73.8	86.2	170.5	-57.8	-180	0	0	0	108.9	Y92 T96 C98 Q111 H123	Y92-L105 HydrophobicContact CD2-CD1 3.85Å; Y92-L105 HydrophobicContact CE2-CD1 3.56Å; T96-L105 HydrophobicContact CG2-CD1 3.67Å; T96-L105 VanDerWaalsContact O-CB 3.23Å; T96-L105 WeakPolarHBondContact O-CB 3.46Å; T96-L105 VanDerWaalsContact O-CG 3.26Å; T96-L105 WeakPolarHBondContact O-CG 3.44Å; T96-L105 PolarHBondContact O-N 3.31Å; C98-L105 HydrophobicContact CB-CD2 3.84Å; L105-Q111 HydrophobicContact CB-CB 3.84Å; L105-Q111 WeakPolarHBondContact O-CB 3.42Å; L105-H123 HydrophobicContact CD2-CB 4.26Å
106	L	52.8	Low	65.6	Low	138 Å²	138	56.1 Å²	56.1	72%	0.723	30%	0.303	S	S	*	.			trans	-71.8	146.6	179.5	-75.7	153.9	0	0	0	112.5	I104	I104-L106 HydrophobicContact CG2-CD1 4.1Å; I104-L106 HydrophobicContact CG2-CD2 4.36Å; I104-L106 HydrophobicContact CG2-CG 3.91Å; I104-L106 PolarHBondContact O-N 3.41Å
107	G	49.4	Very low	66.8	Low	50 Å²	50	59.6 Å²	59.6	52%	0.515	32%	0.316	S	S	.	.	S	Bend	trans	122.4	173.4	-177.9	0	0	0	0	0	112	Q111	G107-Q111 WeakPolarHBondContact O-CG 3.32Å; G107-Q111 PolarHBondContact O-NE2 3Å
108	L	42.5	Very low	67.5	Low	48 Å²	48	58.1 Å²	58.1	25%	0.251	31%	0.312	S	S	.	.	S	Bend	trans	-109.3	-33.6	-175.1	-61.6	165	0	0	0	112.5	T91 Q111 E649 G650 I653	T91-L108 WeakPolarHBondContact CG2-O 3.45Å; L108-Q111 PolarHBondContact O-NE2 3.24Å; L108-E649 WeakPolarHBondContact CB-O 3.38Å; L108-G650 WeakPolarHBondContact CD1-O 3.41Å; L108-I653 HydrophobicContact CD1-CB 4.04Å; L108-I653 HydrophobicContact CD1-CG2 3.35Å; L108-I653 HydrophobicContact CD2-CG2 3.53Å; L108-I653 HydrophobicContact CG-CG2 4.06Å
109	V	48.1	Very low	68	Low	83 Å²	83	63.9 Å²	63.9	50%	0.503	34%	0.339	S	S	.	.	S	Bend	trans	-129.7	139.3	177	-151.8	0	0	0	0	108.5	T91 Q111	T91-V109 HydrophobicContact CG2-CG1 4.28Å; T91-V109 VanDerWaalsContact OG1-CG1 3.3Å; T91-V109 WeakPolarHBondContact OG1-CG1 3.49Å; V109-Q111 VanDerWaalsContact C-N 3.31Å; V109-Q111 PolarHBondContact O-N 2.95Å
110	R	69	Low	68.2	Low	163 Å²	163	63 Å²	63	62%	0.615	33%	0.334	S	S	*	.	S	Bend	trans	54.6	40.7	175.3	-61.4	178.5	166.2	148.1	-3.5	114.1	V89 Q90 T91 G112 K124	V89-R110 HydrophobicContact CG1-CB 3.49Å; V89-R110 VanDerWaalsContact CG1-CB 3.49Å; V89-R110 HydrophobicContact CG1-CG 3.59Å; Q90-R110 WeakPolarHBondContact O-CA 3.43Å; T91-R110 PolarHBondContact OG1-N 3.06Å; R110-G112 PolarHBondContact O-N 3.38Å; R110-K124 WeakPolarHBondContact O-CE 3.25Å; R110-K124 PolarHBondContact O-NZ 3.27Å
111	Q	73.6	Confident	68.6	Low	18 Å²	18	59 Å²	59	8%	0.084	32%	0.32	C	S	.	.			trans	-60.4	-32.7	-176.2	-58.3	88.1	-18.4	0	0	113	T91 Y92 L105 G107 L108 V109	T91-Q111 VanDerWaalsContact CA-OE1 3.29Å; Y92-Q111 HydrophobicContact CD2-CB 4.32Å; Y92-Q111 PolarHBondContact O-NE2 2.72Å; L105-Q111 HydrophobicContact CB-CB 3.84Å; L105-Q111 WeakPolarHBondContact O-CB 3.42Å; G107-Q111 WeakPolarHBondContact O-CG 3.32Å; G107-Q111 PolarHBondContact O-NE2 3Å; L108-Q111 PolarHBondContact O-NE2 3.24Å; V109-Q111 VanDerWaalsContact C-N 3.31Å; V109-Q111 PolarHBondContact O-N 2.95Å
112	G	81.4	Confident	69.2	Low	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	-167.6	-176.1	0	0	0	0	0	114.1	Q90 R110 F122	Q90-G112 PolarHBondContact N-O 3.5Å; R110-G112 PolarHBondContact O-N 3.38Å; G112-F122 CarbonylContact C-O 3.56Å; G112-F122 WeakPolarHBondContact CA-O 3.5Å
113	L	82.6	Confident	70.6	Confident	24 Å²	24	56.8 Å²	56.8	13%	0.126	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	133.6	-178.5	-63.1	165.6	0	0	0	108.1	L87 S88 V89 Y92 T121 F122 K124 A127	L87-L113 HydrophobicContact CB-CB 4.26Å; L87-L113 HydrophobicContact CB-CD2 4.43Å; L87-L113 HydrophobicContact CD1-CD1 4.3Å; L87-L113 HydrophobicContact CD2-CB 3.88Å; L87-L113 HydrophobicContact CG-CB 4.5Å; S88-L113 CarbonylContact O-C 3.56Å; S88-L113 WeakPolarHBondContact O-CA 3.31Å; V89-L113 HydrophobicContact CB-CD2 4.34Å; V89-L113 HydrophobicContact CG2-CD2 3.68Å; Y92-L113 VanDerWaalsContact OH-C 3.31Å; Y92-L113 PolarHBondContact OH-O 3Å; L113-T121 CarbonylContact O-C 3.55Å; L113-T121 WeakPolarHBondContact O-CA 3.34Å; L113-F122 PolarHBondContact N-O 3.38Å; L113-F122 PolarHBondContact O-N 3.37Å; L113-K124 HydrophobicContact CD1-CG 4.46Å; L113-K124 HydrophobicContact CG-CG 4.41Å; L113-A127 HydrophobicContact CB-CB 4.33Å; L113-A127 HydrophobicContact CD1-CB 3.48Å; L113-A127 VanDerWaalsContact CD1-CB 3.48Å
114	K	86.7	Confident	71.7	Confident	51 Å²	51	56.2 Å²	56.2	22%	0.222	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	139	170.6	-163.3	165.9	-171	170.9	0	109.2	L87 S88 Q90 Y92 H119 L120 T121	L87-K114 WeakPolarHBondContact CA-O 3.47Å; S88-K114 PolarHBondContact N-O 3.43Å; S88-K114 PolarHBondContact O-N 3.15Å; S88-K114 PolarHBondContact OG-O 3.34Å; Q90-K114 HydrophobicContact CB-CB 4.11Å; Q90-K114 HydrophobicContact CG-CB 4.38Å; Y92-K114 WeakPolarHBondContact OH-CB 3.38Å; Y92-K114 PolarHBondContact OH-N 3.11Å; K114-H119 WeakPolarHBondContact CE-O 3.23Å; K114-L120 WeakPolarHBondContact CA-O 3.41Å; K114-T121 HydrophobicContact CD-CG2 4.4Å; K114-T121 HydrophobicContact CG-CG2 4.15Å
115	C	83.9	Confident	72.4	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	124.6	172.3	-173.9	0	0	0	0	111	H85 A86 L87 K117 C118 H119 L120 F122	H85-C115 HydrophobicContact CB-CB 4.09Å; H85-C115 WeakPolarHBondContact ND1-CB 3.33Å; H85-C115 PolarHBondContact ND1-SG 3.42Å; H85-C115 VanDerWaalsContact ND1-SG 3.38Å; A86-C115 CarbonylContact O-C 3.6Å; A86-C115 WeakPolarHBondContact O-CA 3.38Å; A86-C115 PolarHBondContact O-SG 2.81Å; L87-C115 HydrophobicContact CD2-CB 4.2Å; C115-K117 PolarHBondContact O-N 3Å; C115-K117 PolarHBondContact SG-N 2.9Å; C115-K117 VanDerWaalsContact SG-N 3.44Å; C115-C118 VanDerWaalsContact CB-SG 3.52Å; C115-C118 VanDerWaalsContact SG-SG 3.66Å; C115-H119 WeakPolarHBondContact O-CA 3.21Å; C115-H119 PolarHBondContact O-N 3.11Å; C115-H119 PolarHBondContact O-ND1 3.06Å; C115-L120 PolarHBondContact N-O 3.17Å; C115-F122 HydrophobicContact CB-CE2 4.19Å
116	S	82.7	Confident	73.1	Confident	74 Å²	74	61 Å²	61	52%	0.517	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-20.6	176	59.4	0	0	0	0	113.6	A86 H119	A86-S116 WeakPolarHBondContact CB-OG 3.45Å; A86-S116 PolarHBondContact O-N 3.26Å; A86-S116 PolarHBondContact O-OG 2.87Å; S116-H119 PolarHBondContact O-CE1 3.22Å; S116-H119 VanDerWaalsContact O-CE1 3.24Å
117	K	78.9	Confident	74.2	Confident	103 Å²	103	54.4 Å²	54.4	45%	0.448	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-45.9	179	-66	-177.4	179.1	-177.1	0	114.1	A86 C115 V136 A137	A86-K117 HydrophobicContact CB-CD 4.32Å; A86-K117 HydrophobicContact CB-CG 4.21Å; C115-K117 PolarHBondContact O-N 3Å; C115-K117 PolarHBondContact SG-N 2.9Å; C115-K117 VanDerWaalsContact SG-N 3.44Å; K117-V136 HydrophobicContact CB-CB 4.33Å; K117-V136 HydrophobicContact CB-CG1 4.2Å; K117-A137 HydrophobicContact CD-CB 4.27Å
118	C	80.1	Confident	75.1	Confident	24 Å²	24	57.5 Å²	57.5	16%	0.162	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.4	1.7	-174.6	71.8	0	0	0	0	114.4	H85 C115 L120 V136	H85-C118 PolarHBondContact CE1-SG 3.19Å; H85-C118 PolarHBondContact ND1-SG 3.26Å; C115-C118 VanDerWaalsContact CB-SG 3.52Å; C115-C118 VanDerWaalsContact SG-SG 3.66Å; C118-L120 PolarHBondContact O-N 3.11Å; C118-V136 HydrophobicContact CB-CB 4.15Å; C118-V136 HydrophobicContact CB-CG2 3.63Å
119	H	80.3	Confident	76.3	Confident	123 Å²	123	55.9 Å²	55.9	57%	0.569	28%	0.28	S	S	*	.			trans	59.4	-3.2	176.2	-54	-42.4	0	0	0	117.9	K114 C115 S116	K114-H119 WeakPolarHBondContact CE-O 3.23Å; C115-H119 WeakPolarHBondContact O-CA 3.21Å; C115-H119 PolarHBondContact O-N 3.11Å; C115-H119 PolarHBondContact O-ND1 3.06Å; S116-H119 PolarHBondContact O-CE1 3.22Å; S116-H119 VanDerWaalsContact O-CE1 3.24Å
120	L	78.1	Confident	76.8	Confident	63 Å²	63	55 Å²	55	33%	0.33	28%	0.276	S	S	.	.			trans	-59.6	155.1	167.7	-57	-179.7	0	0	0	112.1	D99 K114 C115 C118 F122	D99-L120 HydrophobicContact CB-CB 4.01Å; D99-L120 HydrophobicContact CB-CD1 4.45Å; D99-L120 HydrophobicContact CB-CD2 4.13Å; D99-L120 HydrophobicContact CB-CG 4.41Å; K114-L120 WeakPolarHBondContact CA-O 3.41Å; C115-L120 PolarHBondContact N-O 3.17Å; C118-L120 PolarHBondContact O-N 3.11Å; L120-F122 HydrophobicContact CB-CE1 4.2Å; L120-F122 HydrophobicContact CB-CE2 3.82Å; L120-F122 HydrophobicContact CB-CZ 3.44Å; L120-F122 VanDerWaalsContact CB-CZ 3.44Å; L120-F122 HydrophobicContact CD1-CZ 4.16Å; L120-F122 HydrophobicContact CG-CZ 4.46Å
121	T	79.7	Confident	76.8	Confident	14 Å²	14	55.6 Å²	55.6	9%	0.086	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	141.6	-168.3	65.9	0	0	0	0	110.9	Y92 T96 F97 C98 D99 L113 K114	Y92-T121 HydrophobicContact CE1-CG2 3.56Å; Y92-T121 WeakPolarHBondContact OH-CB 3.33Å; Y92-T121 WeakPolarHBondContact OH-CG2 3.32Å; T96-T121 HydrophobicContact CG2-CG2 4.1Å; F97-T121 PolarHBondContact O-OG1 3.1Å; F97-T121 VanDerWaalsContact O-OG1 3.07Å; C98-T121 CarbonylContact C-O 3.56Å; C98-T121 WeakPolarHBondContact CA-O 3.5Å; D99-T121 PolarHBondContact N-O 3.34Å; D99-T121 WeakPolarHBondContact OD2-CA 3.22Å; D99-T121 PolarHBondContact OD2-N 2.85Å; D99-T121 PolarHBondContact OD2-OG1 3.3Å; L113-T121 CarbonylContact O-C 3.55Å; L113-T121 WeakPolarHBondContact O-CA 3.34Å; K114-T121 HydrophobicContact CD-CG2 4.4Å; K114-T121 HydrophobicContact CG-CG2 4.15Å
122	F	79.1	Confident	76.6	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	148.3	-167.7	-51.6	-77.3	0	0	0	113.8	H85 L87 C98 D99 G112 L113 C115 L120 A127 N132	H85-F122 AromaticContact CE1-CE2 3.75Å; H85-F122 AromaticContact CE1-CZ 3.39Å; H85-F122 WeakPolarHBondContact CE1-CZ 3.28Å; H85-F122 AromaticContact ND1-CE2 3.69Å; H85-F122 AromaticContact ND1-CZ 3.83Å; H85-F122 AromaticContact NE2-CZ 3.67Å; L87-F122 HydrophobicContact CD2-CD2 3.75Å; L87-F122 HydrophobicContact CD2-CE2 4.11Å; C98-F122 VanDerWaalsContact SG-CA 3.55Å; D99-F122 HydrophobicContact CB-CE1 4.13Å; G112-F122 CarbonylContact C-O 3.56Å; G112-F122 WeakPolarHBondContact CA-O 3.5Å; L113-F122 PolarHBondContact N-O 3.38Å; L113-F122 PolarHBondContact O-N 3.37Å; C115-F122 HydrophobicContact CB-CE2 4.19Å; L120-F122 HydrophobicContact CB-CE1 4.2Å; L120-F122 HydrophobicContact CB-CE2 3.82Å; L120-F122 HydrophobicContact CB-CZ 3.44Å; L120-F122 VanDerWaalsContact CB-CZ 3.44Å; L120-F122 HydrophobicContact CD1-CZ 4.16Å; L120-F122 HydrophobicContact CG-CZ 4.46Å; F122-A127 HydrophobicContact CB-CB 3.63Å; F122-A127 HydrophobicContact CD2-CB 4.29Å; F122-A127 HydrophobicContact CG-CB 4.09Å; F122-N132 WeakPolarHBondContact CD1-ND2 3.37Å; F122-N132 WeakPolarHBondContact CE1-ND2 3.33Å; F122-N132 WeakPolarHBondContact CE1-OD1 3.48Å
123	H	77	Confident	76.3	Confident	43 Å²	43	57.3 Å²	57.3	20%	0.199	29%	0.288	C	S	.	.			trans	-62.7	154.8	161.1	-59.5	98.4	0	0	0	109.4	C98 C101 E103 I104 L105 N125 C126 A127	C98-H123 WeakPolarHBondContact CB-ND1 3.31Å; C101-H123 VanDerWaalsContact SG-CE1 3.55Å; C101-H123 PolarHBondContact SG-ND1 3.22Å; C101-H123 VanDerWaalsContact SG-ND1 3.37Å; E103-H123 PolarHBondContact O-CE1 3.26Å; I104-H123 PolarHBondContact O-NE2 3.45Å; L105-H123 HydrophobicContact CD2-CB 4.26Å; H123-N125 PolarHBondContact O-N 2.97Å; H123-C126 HydrophobicContact CB-CB 3.96Å; H123-C126 PolarHBondContact ND1-SG 3.02Å; H123-C126 PolarHBondContact O-N 3.09Å; H123-A127 PolarHBondContact O-N 3.49Å
124	K	79.6	Confident	76.2	Confident	108 Å²	108	56.1 Å²	56.1	47%	0.47	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-42	176.5	-65.7	167.1	-172.8	162.1	0	112.2	R110 L113	R110-K124 WeakPolarHBondContact O-CE 3.25Å; R110-K124 PolarHBondContact O-NZ 3.27Å; L113-K124 HydrophobicContact CD1-CG 4.46Å; L113-K124 HydrophobicContact CG-CG 4.41Å
125	N	72.7	Confident	75.2	Confident	132 Å²	132	56.7 Å²	56.7	71%	0.706	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-30.5	177.5	-64.7	-2.2	0	0	0	113.8	H123 I128	H123-N125 PolarHBondContact O-N 2.97Å; N125-I128 VanDerWaalsContact O-CG1 3.27Å; N125-I128 WeakPolarHBondContact O-CG1 3.3Å
126	C	76.9	Confident	74.4	Confident	21 Å²	21	60 Å²	60	14%	0.142	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-30.6	-179.1	-65.5	0	0	0	0	112.3	C98 Y100 H123 I128 A129 N132	C98-C126 WeakPolarHBondContact SG-CB 3.31Å; Y100-C126 HydrophobicContact CD1-CB 3.86Å; Y100-C126 HydrophobicContact CG-CB 4.44Å; H123-C126 HydrophobicContact CB-CB 3.96Å; H123-C126 PolarHBondContact ND1-SG 3.02Å; H123-C126 PolarHBondContact O-N 3.09Å; C126-I128 PolarHBondContact O-N 3.38Å; C126-A129 VanDerWaalsContact O-CB 3.29Å; C126-A129 WeakPolarHBondContact O-CB 3.39Å; C126-A129 PolarHBondContact O-N 2.75Å; C126-N132 PolarHBondContact O-ND2 2.62Å
127	A	75	Confident	73.4	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.008	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-23.3	179.5	0	0	0	0	0	113.8	L87 L113 F122 H123	L87-A127 HydrophobicContact CD1-CB 3.62Å; L87-A127 HydrophobicContact CD2-CB 4.14Å; L113-A127 HydrophobicContact CB-CB 4.33Å; L113-A127 HydrophobicContact CD1-CB 3.48Å; L113-A127 VanDerWaalsContact CD1-CB 3.48Å; F122-A127 HydrophobicContact CB-CB 3.63Å; F122-A127 HydrophobicContact CD2-CB 4.29Å; F122-A127 HydrophobicContact CG-CB 4.09Å; H123-A127 PolarHBondContact O-N 3.49Å
128	I	69.4	Low	72.3	Confident	115 Å²	115	55 Å²	55	59%	0.59	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	8.6	177.6	58.2	175.6	0	0	0	112.7	N125 C126	N125-I128 VanDerWaalsContact O-CG1 3.27Å; N125-I128 WeakPolarHBondContact O-CG1 3.3Å; C126-I128 PolarHBondContact O-N 3.38Å
129	A	67.7	Low	70.7	Confident	13 Å²	13	58.3 Å²	58.3	11%	0.107	31%	0.311	C	S	.	.			trans	-65.2	135.6	179.2	0	0	0	0	0	110.6	Y100 C126 R131 N132	Y100-A129 HydrophobicContact CD1-CB 4.08Å; Y100-A129 HydrophobicContact CE1-CB 3.48Å; Y100-A129 VanDerWaalsContact CE1-CB 3.48Å; Y100-A129 HydrophobicContact CE2-CB 4.12Å; Y100-A129 VanDerWaalsContact CZ-CB 3.5Å; C126-A129 VanDerWaalsContact O-CB 3.29Å; C126-A129 WeakPolarHBondContact O-CB 3.39Å; C126-A129 PolarHBondContact O-N 2.75Å; A129-R131 PolarHBondContact O-N 3.37Å; A129-N132 HydrophobicContact CB-CB 4.17Å; A129-N132 WeakPolarHBondContact O-CB 3.43Å; A129-N132 PolarHBondContact O-N 3.46Å
130	P	59	Low	68.9	Low	64 Å²	64	57.5 Å²	57.5	42%	0.416	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-33.4	-171.6	-33.5	36.8	0	0	0	116.4	E79 N133	E79-P130 HydrophobicContact CB-CB 3.49Å; E79-P130 VanDerWaalsContact CB-CB 3.49Å; E79-P130 WeakPolarHBondContact O-CA 3.26Å; E79-P130 VanDerWaalsContact O-CB 3.27Å; E79-P130 WeakPolarHBondContact O-CB 3.33Å; P130-N133 PolarHBondContact O-ND2 2.82Å
131	R	67.2	Low	66.9	Low	176 Å²	176	60.4 Å²	60.4	66%	0.664	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-11.8	-176	-60.2	-177.4	-178.6	-174.2	3.2	113.7	E79 Y100 A129 N133	E79-R131 IonicContact OE1-NE 3.7Å; E79-R131 WeakPolarHBondContact OE2-CG 3.38Å; E79-R131 IonicContact OE2-CZ 3.59Å; E79-R131 IonicContact OE2-NE 3.83Å; E79-R131 PolarHBondContact OE2-NE 3.05Å; E79-R131 IonicContact OE2-NH2 2.81Å; Y100-R131 HydrophobicContact CE2-CB 4.4Å; A129-R131 PolarHBondContact O-N 3.37Å; R131-N133 VanDerWaalsContact C-N 3.33Å; R131-N133 PolarHBondContact O-N 3.41Å; R131-N133 PolarHBondContact O-ND2 2.87Å
132	N	70.4	Confident	64.4	Low	15 Å²	15	62 Å²	62	8%	0.08	35%	0.349	C	S	.	.			trans	-84.1	69.6	-172.3	-167.2	21.1	0	0	0	112.2	L81 H85 Y100 F122 C126 A129	L81-N132 WeakPolarHBondContact CD2-O 3.42Å; H85-N132 PolarHBondContact CD2-O 3.23Å; H85-N132 PolarHBondContact NE2-O 3.33Å; Y100-N132 HydrophobicContact CD2-CB 3.51Å; Y100-N132 HydrophobicContact CE2-CB 3.81Å; Y100-N132 HydrophobicContact CG-CB 4.13Å; F122-N132 WeakPolarHBondContact CD1-ND2 3.37Å; F122-N132 WeakPolarHBondContact CE1-ND2 3.33Å; F122-N132 WeakPolarHBondContact CE1-OD1 3.48Å; C126-N132 PolarHBondContact O-ND2 2.62Å; A129-N132 HydrophobicContact CB-CB 4.17Å; A129-N132 WeakPolarHBondContact O-CB 3.43Å; A129-N132 PolarHBondContact O-N 3.46Å
133	N	75.6	Confident	62	Low	39 Å²	39	71.8 Å²	71.8	21%	0.209	39%	0.392	C	S	.	.			trans	-90.6	138.8	-177.1	-73.6	-83.8	0	0	0	112.3	L81 V82 A83 P130 R131 A135	L81-N133 WeakPolarHBondContact CA-OD1 3.22Å; V82-N133 PolarHBondContact N-OD1 3.47Å; A83-N133 HydrophobicContact CB-CB 4.4Å; A83-N133 PolarHBondContact N-OD1 2.79Å; P130-N133 PolarHBondContact O-ND2 2.82Å; R131-N133 VanDerWaalsContact C-N 3.33Å; R131-N133 PolarHBondContact O-N 3.41Å; R131-N133 PolarHBondContact O-ND2 2.87Å; N133-A135 PolarHBondContact O-N 3.05Å; N133-A135 VanDerWaalsContact O-N 3.11Å
134	C	79.1	Confident	59.4	Low	0 Å²	0	74.5 Å²	74.5	0%	0	42%	0.422	C	S	.	.			trans	-71.3	107.4	178.4	-176.1	0	0	0	0	110.8	A83 H85 V136 A137 Q138	A83-C134 WeakPolarHBondContact O-CB 3.41Å; A83-C134 PolarHBondContact O-N 3Å; H85-C134 HydrophobicContact CB-CB 4.34Å; H85-C134 VanDerWaalsContact CE1-CA 3.42Å; H85-C134 WeakPolarHBondContact CE1-CA 3.41Å; H85-C134 WeakPolarHBondContact ND1-CB 3.34Å; H85-C134 PolarHBondContact NE2-N 2.85Å; C134-V136 PolarHBondContact O-N 2.86Å; C134-A137 HydrophobicContact CB-CB 3.79Å; C134-A137 WeakPolarHBondContact O-CA 3.42Å; C134-A137 PolarHBondContact O-N 2.71Å; C134-Q138 PolarHBondContact O-N 2.96Å
135	A	67	Low	56.8	Low	63 Å²	63	76.6 Å²	76.6	52%	0.521	44%	0.438	S	S	.	.	H	α-helix	trans	-54.5	-36.8	178.7	0	0	0	0	0	113.2	N133 A137 Q138	N133-A135 PolarHBondContact O-N 3.05Å; N133-A135 VanDerWaalsContact O-N 3.11Å; A135-A137 VanDerWaalsContact C-N 3.33Å; A135-Q138 PolarHBondContact O-N 3.26Å
136	V	66.8	Low	54.5	Low	69 Å²	69	77.1 Å²	77.1	42%	0.418	44%	0.441	S	S	.	.	H	α-helix	trans	-74	-22.1	177.1	-178	0	0	0	0	112.5	K117 C118 C134 S139	K117-V136 HydrophobicContact CB-CB 4.33Å; K117-V136 HydrophobicContact CB-CG1 4.2Å; C118-V136 HydrophobicContact CB-CB 4.15Å; C118-V136 HydrophobicContact CB-CG2 3.63Å; C134-V136 PolarHBondContact O-N 2.86Å; V136-S139 PolarHBondContact O-OG 2.97Å; V136-S139 VanDerWaalsContact O-OG 3.1Å
137	A	62.3	Low	52	Low	7 Å²	7	80.6 Å²	80.6	6%	0.058	47%	0.465	C	S	.	.	H	α-helix	trans	-85.1	-27.1	171.9	0	0	0	0	0	112.3	A83 K117 C134 A135 S139 V140	A83-A137 HydrophobicContact CB-CB 4Å; K117-A137 HydrophobicContact CD-CB 4.27Å; C134-A137 HydrophobicContact CB-CB 3.79Å; C134-A137 WeakPolarHBondContact O-CA 3.42Å; C134-A137 PolarHBondContact O-N 2.71Å; A135-A137 VanDerWaalsContact C-N 3.33Å; A137-S139 VanDerWaalsContact C-N 3.32Å; A137-S139 PolarHBondContact O-N 3.22Å; A137-V140 PolarHBondContact O-N 3.14Å
138	Q	54.4	Low	49.6	Very low	65 Å²	65	87 Å²	87	30%	0.304	51%	0.505	S	S	.	.	H	α-helix	trans	-62.5	-36.7	174.3	-74.3	-170.3	-18.2	0	0	112.7	A83 C134 A135 V140 N141	A83-Q138 HydrophobicContact CB-CB 4.41Å; A83-Q138 HydrophobicContact CB-CG 3.52Å; C134-Q138 PolarHBondContact O-N 2.96Å; A135-Q138 PolarHBondContact O-N 3.26Å; Q138-V140 PolarHBondContact O-N 3.39Å; Q138-V140 VanDerWaalsContact O-N 3.13Å; Q138-N141 PolarHBondContact O-N 2.77Å
139	S	46.9	Very low	47.5	Very low	94 Å²	94	90.3 Å²	90.3	66%	0.657	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-7.1	179.6	57.2	0	0	0	0	114.6	V136 A137	V136-S139 PolarHBondContact O-OG 2.97Å; V136-S139 VanDerWaalsContact O-OG 3.1Å; A137-S139 VanDerWaalsContact C-N 3.32Å; A137-S139 PolarHBondContact O-N 3.22Å
140	V	43.4	Very low	45.5	Very low	106 Å²	106	92.6 Å²	92.6	64%	0.642	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-17.3	178.3	-169.1	0	0	0	0	112	A137 Q138	A137-V140 PolarHBondContact O-N 3.14Å; Q138-V140 PolarHBondContact O-N 3.39Å; Q138-V140 VanDerWaalsContact O-N 3.13Å
141	N	35.2	Very low	44.1	Very low	124 Å²	124	98.2 Å²	98.2	66%	0.663	57%	0.567	S	S	*	*	S	Bend	trans	-99.9	10.3	-175	-75.9	4.5	0	0	0	114	Q138	Q138-N141 PolarHBondContact O-N 2.77Å
142	G	27.5	Very low	42.4	Very low	46 Å²	46	99.5 Å²	99.5	47%	0.474	58%	0.578	S	S	.	*	S	Bend	trans	-102.9	132.4	167.5	0	0	0	0	0	110
143	F	28.1	Very low	40.8	Very low	206 Å²	206	102.2 Å²	102.2	90%	0.904	60%	0.598	S	S	*	*			trans	73.7	81	-173	-57.7	-80.5	0	0	0	115.4	D145	F143-D145 PolarHBondContact O-N 3.4Å
144	A	23.9	Very low	39.1	Very low	100 Å²	100	105.5 Å²	105.5	83%	0.826	62%	0.615	S	S	*	*			trans	-87.6	79.8	149	0	0	0	0	0	108.8
145	D	24.3	Very low	38	Very low	153 Å²	153	109.4 Å²	109.4	82%	0.818	64%	0.641	S	S	*	*	S	Bend	trans	-176.2	151.4	140.8	-104.3	-25.9	0	0	0	110.3	F143	F143-D145 PolarHBondContact O-N 3.4Å
146	D	25.2	Very low	38.4	Very low	143 Å²	143	107.6 Å²	107.6	77%	0.765	62%	0.621	S	S	*	*			trans	70.8	107.8	177.7	-144.2	13.3	0	0	0	118.5
147	S	23.6	Very low	39	Very low	93 Å²	93	107.8 Å²	107.8	65%	0.65	62%	0.623	S	S	*	*	S	Bend	trans	31.2	130.9	134.7	-44	0	0	0	0	121.2
148	T	25.6	Very low	40.1	Very low	135 Å²	135	110 Å²	110	83%	0.828	63%	0.631	S	S	*	*			trans	71.2	55.2	159.6	67.9	0	0	0	0	119.8
149	M	24.2	Very low	41.3	Very low	186 Å²	186	111.9 Å²	111.9	92%	0.916	64%	0.641	S	S	*	*			trans	-94.2	110.7	145.3	-80	-89.6	90.6	0	0	109.9	M151	M149-M151 PolarHBondContact O-N 3.26Å
150	G	26.5	Very low	43.3	Very low	60 Å²	60	111.3 Å²	111.3	62%	0.619	63%	0.633	S	S	*	*			trans	-65.3	131.5	-172.2	0	0	0	0	0	113.5	F152	G150-F152 PolarHBondContact O-N 2.85Å; G150-F152 VanDerWaalsContact O-N 3.12Å
151	M	28.4	Very low	45.1	Very low	182 Å²	182	109.8 Å²	109.8	90%	0.897	62%	0.619	S	S	*	*			trans	-57.8	116.4	163.4	-70.7	-174.5	70.7	0	0	108.8	M149 S153	M149-M151 PolarHBondContact O-N 3.26Å; M151-S153 PolarHBondContact O-N 3.1Å
152	F	31.7	Very low	47.7	Very low	204 Å²	204	106.6 Å²	106.6	90%	0.895	61%	0.605	S	S	*	*			trans	-60.3	112.6	170.9	-79.9	-82.8	0	0	0	109.1	G150 L154	G150-F152 PolarHBondContact O-N 2.85Å; G150-F152 VanDerWaalsContact O-N 3.12Å; F152-L154 PolarHBondContact O-N 3.15Å
153	S	38.3	Very low	50.5	Low	71 Å²	71	105.4 Å²	105.4	50%	0.497	59%	0.586	S	S	.	*			trans	-79.9	102.7	-174	49.1	0	0	0	0	109.1	M151 P155 L203	M151-S153 PolarHBondContact O-N 3.1Å; S153-P155 WeakPolarHBondContact O-CD 3.02Å; S153-L203 CarbonylContact C-O 3.6Å; S153-L203 WeakPolarHBondContact CA-O 3.34Å; S153-L203 WeakPolarHBondContact CB-O 3.5Å
154	L	37.9	Very low	53.2	Low	108 Å²	108	105.8 Å²	105.8	57%	0.565	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-65.2	116.8	-178.7	-84	161.1	0	0	0	111.7	F152 L203 C205	F152-L154 PolarHBondContact O-N 3.15Å; L154-L203 CarbonylContact C-O 3.17Å; L154-L203 PolarHBondContact N-O 3.43Å; L154-L203 CarbonylContact O-C 3.58Å; L154-C205 HydrophobicContact CB-CB 4.26Å; L154-C205 VanDerWaalsContact O-CB 3.23Å; L154-C205 WeakPolarHBondContact O-CB 3.06Å; L154-C205 PolarHBondContact O-N 3.02Å
155	P	56.7	Low	56.2	Low	83 Å²	83	109 Å²	109	54%	0.539	58%	0.583	S	S	.	*	P	Polyproline II helix	trans	-68.1	147.4	-179.4	29.1	-35.5	0	0	0	112.2	S153 L203	S153-P155 WeakPolarHBondContact O-CD 3.02Å; P155-L203 HydrophobicContact CB-CD2 4.03Å
156	H	76.5	Confident	59.2	Low	25 Å²	25	107.4 Å²	107.4	12%	0.116	58%	0.58	C	S	.	*	P	Polyproline II helix	trans	-81.1	128.8	176.8	-71	-83.5	0	0	0	112.4	F158 C186 C189 T202 C205	H156-F158 HydrophobicContact CB-CD2 3.94Å; H156-F158 HydrophobicContact CB-CE1 4.24Å; H156-F158 HydrophobicContact CB-CE2 3.46Å; H156-F158 VanDerWaalsContact CB-CE2 3.46Å; H156-F158 HydrophobicContact CB-CZ 3.62Å; H156-F158 AromaticContact CG-CZ 4Å; H156-F158 PolarHBondContact O-N 3.1Å; H156-C186 HydrophobicContact CB-CB 4.19Å; H156-C186 PolarHBondContact ND1-SG 3.05Å; H156-C186 VanDerWaalsContact ND1-SG 3.44Å; H156-C189 PolarHBondContact CE1-SG 3.47Å; H156-C189 PolarHBondContact ND1-SG 3.36Å; H156-T202 PolarHBondContact CD2-O 3.08Å; H156-T202 PolarHBondContact NE2-O 3.37Å; H156-C205 PolarHBondContact ND1-SG 3.3Å
157	T	79.1	Confident	62.3	Low	73 Å²	73	101.9 Å²	101.9	45%	0.448	55%	0.552	S	S	.	*			trans	-81.9	94.4	171.4	-41	0	0	0	0	110.9	C186 R187 D188	T157-C186 CarbonylContact O-C 3.59Å; T157-C186 VanDerWaalsContact O-CA 3.3Å; T157-C186 WeakPolarHBondContact O-CA 3.28Å; T157-R187 PolarHBondContact O-N 2.88Å; T157-D188 WeakPolarHBondContact CB-OD2 3.45Å; T157-D188 PolarHBondContact N-OD2 3.44Å; T157-D188 PolarHBondContact OG1-OD2 3.27Å
158	F	84.5	Confident	65.6	Low	53 Å²	53	101.5 Å²	101.5	23%	0.232	55%	0.545	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	137	-176.7	-75.8	-63.4	0	0	0	114.6	H156 L184 C186 V191 V193 A198 L201	H156-F158 HydrophobicContact CB-CD2 3.94Å; H156-F158 HydrophobicContact CB-CE1 4.24Å; H156-F158 HydrophobicContact CB-CE2 3.46Å; H156-F158 VanDerWaalsContact CB-CE2 3.46Å; H156-F158 HydrophobicContact CB-CZ 3.62Å; H156-F158 AromaticContact CG-CZ 4Å; H156-F158 PolarHBondContact O-N 3.1Å; F158-L184 HydrophobicContact CB-CB 4.11Å; F158-L184 HydrophobicContact CB-CD1 4.26Å; F158-L184 HydrophobicContact CB-CD2 4.39Å; F158-L184 HydrophobicContact CB-CG 4.49Å; F158-L184 HydrophobicContact CD1-CB 3.83Å; F158-L184 HydrophobicContact CG-CB 4.16Å; F158-L184 HydrophobicContact CG-CD1 4.46Å; F158-C186 HydrophobicContact CD1-CB 4.08Å; F158-C186 HydrophobicContact CE1-CB 3.91Å; F158-V191 HydrophobicContact CE1-CG1 4.06Å; F158-V191 HydrophobicContact CZ-CG1 4.28Å; F158-V193 HydrophobicContact CD1-CG2 4.12Å; F158-V193 HydrophobicContact CE1-CG2 3.54Å; F158-V193 HydrophobicContact CE2-CG2 4.43Å; F158-V193 HydrophobicContact CZ-CG2 3.72Å; F158-A198 HydrophobicContact CD2-CB 3.92Å; F158-A198 HydrophobicContact CE2-CB 3.89Å; F158-L201 HydrophobicContact CZ-CD2 3.82Å
159	M	79	Confident	68.7	Low	105 Å²	105	95 Å²	95	52%	0.517	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	148.8	170.4	-58.2	-169.1	-57.1	0	0	111	H161 L184 Q185 R187	M159-H161 PolarHBondContact O-N 3.44Å; M159-L184 CarbonylContact O-C 3.6Å; M159-L184 VanDerWaalsContact O-CA 3.25Å; M159-L184 WeakPolarHBondContact O-CA 3.49Å; M159-Q185 PolarHBondContact N-O 3.03Å; M159-Q185 PolarHBondContact O-N 3.47Å; M159-R187 HydrophobicContact CE-CB 4.04Å; M159-R187 HydrophobicContact CE-CG 3.86Å
160	V	88.8	Confident	71.9	Confident	81 Å²	81	93 Å²	93	49%	0.491	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	127.3	175.9	179.1	0	0	0	0	109.9	R181 L184	V160-R181 HydrophobicContact CG1-CB 3.65Å; V160-R181 HydrophobicContact CG1-CG 3.8Å; V160-L184 HydrophobicContact CB-CD2 4.42Å; V160-L184 HydrophobicContact CG2-CD2 3.71Å
161	H	82.8	Confident	74.9	Confident	74 Å²	74	93.7 Å²	93.7	34%	0.343	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	149.9	-174.1	-164.9	78.3	0	0	0	112.6	M159 Y163 R181 Q182 G183 Q185	M159-H161 PolarHBondContact O-N 3.44Å; H161-Y163 HydrophobicContact CB-CE2 4.19Å; H161-Y163 AromaticContact CD2-CD1 3.72Å; H161-Y163 AromaticContact CD2-CE1 3.57Å; H161-Y163 AromaticContact CD2-CZ 3.83Å; H161-R181 CarbonylContact O-C 3.48Å; H161-R181 VanDerWaalsContact O-CA 3.32Å; H161-R181 WeakPolarHBondContact O-CA 3.4Å; H161-Q182 PolarHBondContact O-N 2.86Å; H161-G183 PolarHBondContact N-O 2.99Å; H161-Q185 HydrophobicContact CB-CB 3.86Å
162	T	88.8	Confident	77.9	Confident	58 Å²	58	86.9 Å²	86.9	36%	0.356	45%	0.448	S	S	.	.			trans	-109.7	119.9	175.2	-64.6	0	0	0	0	109.6	V180 R181 Q182	T162-V180 HydrophobicContact CG2-CG1 3.82Å; T162-R181 PolarHBondContact OG1-N 2.96Å; T162-Q182 VanDerWaalsContact CA-OE1 3.32Å
163	Y	85.8	Confident	80.7	Confident	20 Å²	20	83.1 Å²	83.1	8%	0.078	44%	0.438	C	S	.	.			trans	-96	127.5	-175.3	-56.7	-89.8	0	0	0	110.8	H161 K165 T167 L176 Q182 L184 N192	H161-Y163 HydrophobicContact CB-CE2 4.19Å; H161-Y163 AromaticContact CD2-CD1 3.72Å; H161-Y163 AromaticContact CD2-CE1 3.57Å; H161-Y163 AromaticContact CD2-CZ 3.83Å; Y163-K165 VanDerWaalsContact C-N 3.34Å; Y163-T167 HydrophobicContact CD1-CG2 3.76Å; Y163-T167 WeakPolarHBondContact CD1-OG1 3.27Å; Y163-T167 HydrophobicContact CE1-CG2 3.88Å; Y163-T167 HydrophobicContact CG-CG2 4.34Å; Y163-L176 HydrophobicContact CD2-CD1 3.94Å; Y163-L176 HydrophobicContact CE1-CD1 4.28Å; Y163-L176 HydrophobicContact CE2-CD1 3.42Å; Y163-L176 VanDerWaalsContact CE2-CD1 3.42Å; Y163-Q182 HydrophobicContact CD2-CB 4.16Å; Y163-Q182 PolarHBondContact O-NE2 3.09Å; Y163-L184 PolarHBondContact OH-O 3.4Å; Y163-L184 VanDerWaalsContact OH-O 3.1Å; Y163-N192 HydrophobicContact CE1-CB 4.04Å; Y163-N192 WeakPolarHBondContact CE1-OD1 3.33Å; Y163-N192 WeakPolarHBondContact OH-CB 3.19Å; Y163-N192 PolarHBondContact OH-OD1 2.88Å
164	K	85	Confident	83.1	Confident	214 Å²	214	84.9 Å²	84.9	93%	0.93	44%	0.441	S	S	*	.	S	Bend	trans	-80.1	-11.4	174.4	-67.2	-170.9	176.5	-170.6	0	114
165	K	87.3	Confident	85.6	Confident	169 Å²	169	83.6 Å²	83.6	74%	0.735	44%	0.435	S	S	*	.	S	Bend	trans	-128.3	149.4	179.4	-64.5	-172.6	178.7	-173.8	0	109.9	Y163 T167	Y163-K165 VanDerWaalsContact C-N 3.34Å; K165-T167 PolarHBondContact O-N 3.19Å; K165-T167 PolarHBondContact O-OG1 3.47Å
166	P	86.9	Confident	87.1	Confident	119 Å²	119	80 Å²	80	77%	0.773	41%	0.411	S	S	*	.			trans	-53.5	111.7	174.6	-24.9	34.5	0	0	0	110.6	L175	P166-L175 HydrophobicContact CB-CD1 3.91Å
167	T	90.8	Very high	87.2	Confident	26 Å²	26	84.4 Å²	84.4	16%	0.16	44%	0.44	C	S	.	.			trans	-118.4	134.7	-172	-59.1	0	0	0	0	109.6	Y163 K165 L176 N192	Y163-T167 HydrophobicContact CD1-CG2 3.76Å; Y163-T167 WeakPolarHBondContact CD1-OG1 3.27Å; Y163-T167 HydrophobicContact CE1-CG2 3.88Å; Y163-T167 HydrophobicContact CG-CG2 4.34Å; K165-T167 PolarHBondContact O-N 3.19Å; K165-T167 PolarHBondContact O-OG1 3.47Å; T167-L176 HydrophobicContact CG2-CD1 3.91Å; T167-L176 WeakPolarHBondContact O-CB 3.33Å; T167-L176 WeakPolarHBondContact O-CG 3.48Å; T167-L176 PolarHBondContact O-N 3.46Å; T167-N192 HydrophobicContact CG2-CB 3.97Å
168	V	92	Very high	87.1	Confident	85 Å²	85	83.1 Å²	83.1	52%	0.515	44%	0.441	S	S	.	.	B	Isolated β-bridge	trans	-94.7	146.5	178.9	-78.4	0	0	0	0	112.6	L175	V168-L175 HydrophobicContact CG1-CD1 4.1Å
169	C	92.5	Very high	86.7	Confident	0 Å²	0	88.4 Å²	88.4	0%	0	47%	0.471	C	S	.	.			trans	-75.1	122.8	174.5	174.7	0	0	0	0	110.7	H171 C172 N173 N174 L176 H194	C169-H171 PolarHBondContact O-N 3.08Å; C169-C172 PolarHBondContact O-N 2.92Å; C169-N173 VanDerWaalsContact O-CA 3.23Å; C169-N173 WeakPolarHBondContact O-CA 3.4Å; C169-N173 PolarHBondContact O-N 3.36Å; C169-N174 WeakPolarHBondContact CB-O 3.43Å; C169-N174 PolarHBondContact N-O 3.15Å; C169-L176 HydrophobicContact CB-CD2 3.78Å; C169-H194 VanDerWaalsContact CB-CE1 3.48Å; C169-H194 WeakPolarHBondContact CB-CE1 3.43Å; C169-H194 VanDerWaalsContact CB-ND1 3.32Å; C169-H194 WeakPolarHBondContact CB-ND1 3.43Å; C169-H194 PolarHBondContact SG-N 3.11Å; C169-H194 PolarHBondContact SG-ND1 3.48Å; C169-H194 VanDerWaalsContact SG-ND1 3.39Å
170	K	91.5	Very high	86.8	Confident	142 Å²	142	88.3 Å²	88.3	62%	0.617	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-26.8	-178.6	-175.3	62	176.5	-179.9	0	114.4	V191 N192 V193 L201	K170-V191 HydrophobicContact CB-CG2 3.48Å; K170-V191 VanDerWaalsContact CB-CG2 3.48Å; K170-V191 HydrophobicContact CG-CG2 3.56Å; K170-N192 PolarHBondContact N-O 2.89Å; K170-V193 HydrophobicContact CB-CG1 4.33Å; K170-L201 HydrophobicContact CB-CD1 4.31Å; K170-L201 HydrophobicContact CG-CD1 4.19Å
171	H	89.4	Confident	86.6	Confident	76 Å²	76	92.5 Å²	92.5	35%	0.352	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-47.9	-178.5	173	-83.7	0	0	0	113.1	C169 C197 N200 L201	C169-H171 PolarHBondContact O-N 3.08Å; H171-C197 HydrophobicContact CB-CB 3.89Å; H171-N200 VanDerWaalsContact CD2-C 3.46Å; H171-N200 PolarHBondContact CD2-O 3.09Å; H171-N200 WeakPolarHBondContact NE2-CB 3.41Å; H171-N200 PolarHBondContact NE2-O 2.89Å; H171-L201 HydrophobicContact CB-CD1 4.01Å
172	C	90.7	Very high	86.7	Confident	38 Å²	38	90.2 Å²	90.2	26%	0.257	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	3.3	-172.9	66.9	0	0	0	0	114.2	C169 N174 H194	C169-C172 PolarHBondContact O-N 2.92Å; C172-N174 PolarHBondContact O-N 2.95Å; C172-N174 PolarHBondContact O-ND2 3.37Å; C172-H194 PolarHBondContact SG-CE1 3.42Å; C172-H194 PolarHBondContact SG-ND1 2.88Å
173	N	89.9	Confident	86.8	Confident	125 Å²	125	87.4 Å²	87.4	67%	0.668	46%	0.455	S	S	*	.			trans	54	7.6	-176.9	-64.1	-28.3	0	0	0	116.4	C169	C169-N173 VanDerWaalsContact O-CA 3.23Å; C169-N173 WeakPolarHBondContact O-CA 3.4Å; C169-N173 PolarHBondContact O-N 3.36Å
174	N	89.4	Confident	87	Confident	108 Å²	108	87.7 Å²	87.7	58%	0.578	46%	0.458	S	S	*	.			trans	-88	155.2	175.7	-74.9	-82.3	0	0	0	111.5	C169 C172	C169-N174 WeakPolarHBondContact CB-O 3.43Å; C169-N174 PolarHBondContact N-O 3.15Å; C172-N174 PolarHBondContact O-N 2.95Å; C172-N174 PolarHBondContact O-ND2 3.37Å
175	L	90.2	Very high	87.4	Confident	81 Å²	81	79.4 Å²	79.4	42%	0.424	42%	0.422	S	S	.	.	B	Isolated β-bridge	trans	-62.4	142.6	-178.6	-156.6	74.3	0	0	0	112.5	P166 V168 V177 H194	P166-L175 HydrophobicContact CB-CD1 3.91Å; V168-L175 HydrophobicContact CG1-CD1 4.1Å; L175-V177 HydrophobicContact CB-CG2 4.47Å; L175-V177 PolarHBondContact O-N 2.75Å; L175-V177 VanDerWaalsContact O-N 3.1Å; L175-H194 PolarHBondContact O-CE1 3.23Å; L175-H194 PolarHBondContact O-NE2 2.88Å
176	L	87.5	Confident	87.3	Confident	8 Å²	8	71.3 Å²	71.3	4%	0.042	39%	0.387	C	S	.	.			trans	-75.7	90	167.1	-60.1	-179.2	0	0	0	108.5	Y163 T167 C169 Q182 N192 H194	Y163-L176 HydrophobicContact CD2-CD1 3.94Å; Y163-L176 HydrophobicContact CE1-CD1 4.28Å; Y163-L176 HydrophobicContact CE2-CD1 3.42Å; Y163-L176 VanDerWaalsContact CE2-CD1 3.42Å; T167-L176 HydrophobicContact CG2-CD1 3.91Å; T167-L176 WeakPolarHBondContact O-CB 3.33Å; T167-L176 WeakPolarHBondContact O-CG 3.48Å; T167-L176 PolarHBondContact O-N 3.46Å; C169-L176 HydrophobicContact CB-CD2 3.78Å; L176-Q182 HydrophobicContact CB-CB 3.86Å; L176-Q182 WeakPolarHBondContact O-CB 3.35Å; L176-N192 HydrophobicContact CD1-CB 4.1Å; L176-H194 HydrophobicContact CD2-CB 4.36Å; L176-H194 VanDerWaalsContact CD2-CD2 3.44Å; L176-H194 WeakPolarHBondContact CD2-CD2 3.42Å
177	V	79.7	Confident	87.1	Confident	118 Å²	118	73.5 Å²	73.5	72%	0.715	38%	0.38	S	S	*	.			trans	-74.6	133.7	-173.9	-173.1	0	0	0	0	111.7	L175	L175-V177 HydrophobicContact CB-CG2 4.47Å; L175-V177 PolarHBondContact O-N 2.75Å; L175-V177 VanDerWaalsContact O-N 3.1Å
178	G	77.5	Confident	86.2	Confident	46 Å²	46	75 Å²	75	47%	0.474	39%	0.387	S	S	.	.	S	Bend	trans	138.1	167.4	171.8	0	0	0	0	0	113.3	Q182	G178-Q182 VanDerWaalsContact C-CG 3.45Å; G178-Q182 WeakPolarHBondContact O-CG 3.33Å; G178-Q182 PolarHBondContact O-NE2 2.88Å
179	L	75.3	Confident	85.7	Confident	164 Å²	164	72.8 Å²	72.8	86%	0.859	38%	0.375	S	S	*	.	S	Bend	trans	-87.1	-27.3	175.7	-66.9	170.2	0	0	0	113	Q182	L179-Q182 PolarHBondContact O-NE2 3.16Å
180	V	80.2	Confident	85.6	Confident	103 Å²	103	81.8 Å²	81.8	62%	0.624	41%	0.409	S	S	*	.	S	Bend	trans	-145.1	145.1	-175	-122.5	0	0	0	0	110.2	T162 Q182	T162-V180 HydrophobicContact CG2-CG1 3.82Å; V180-Q182 PolarHBondContact O-N 3.16Å
181	R	84.7	Confident	85.5	Confident	169 Å²	169	76.2 Å²	76.2	64%	0.638	39%	0.387	S	S	*	.			trans	52.3	38.8	174.3	-61.5	179.1	171.7	158.5	-3.2	113.6	V160 H161 T162 G183 K195	V160-R181 HydrophobicContact CG1-CB 3.65Å; V160-R181 HydrophobicContact CG1-CG 3.8Å; H161-R181 CarbonylContact O-C 3.48Å; H161-R181 VanDerWaalsContact O-CA 3.32Å; H161-R181 WeakPolarHBondContact O-CA 3.4Å; T162-R181 PolarHBondContact OG1-N 2.96Å; R181-G183 PolarHBondContact O-N 3.24Å; R181-K195 VanDerWaalsContact O-CE 3.24Å; R181-K195 WeakPolarHBondContact O-CE 3.47Å; R181-K195 PolarHBondContact O-NZ 2.98Å
182	Q	86.3	Confident	85.7	Confident	25 Å²	25	74.3 Å²	74.3	12%	0.117	38%	0.379	C	S	.	.			trans	-64.8	-23.2	-169.7	-55.4	93.6	-30.3	0	0	113.7	H161 T162 Y163 L176 G178 L179 V180	H161-Q182 PolarHBondContact O-N 2.86Å; T162-Q182 VanDerWaalsContact CA-OE1 3.32Å; Y163-Q182 HydrophobicContact CD2-CB 4.16Å; Y163-Q182 PolarHBondContact O-NE2 3.09Å; L176-Q182 HydrophobicContact CB-CB 3.86Å; L176-Q182 WeakPolarHBondContact O-CB 3.35Å; G178-Q182 VanDerWaalsContact C-CG 3.45Å; G178-Q182 WeakPolarHBondContact O-CG 3.33Å; G178-Q182 PolarHBondContact O-NE2 2.88Å; L179-Q182 PolarHBondContact O-NE2 3.16Å; V180-Q182 PolarHBondContact O-N 3.16Å
183	G	90.5	Very high	85.9	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	-165.7	-177	0	0	0	0	0	113.6	H161 R181 V193	H161-G183 PolarHBondContact N-O 2.99Å; R181-G183 PolarHBondContact O-N 3.24Å; G183-V193 CarbonylContact C-O 3.52Å; G183-V193 WeakPolarHBondContact CA-O 3.32Å
184	L	90.7	Very high	86	Confident	25 Å²	25	67.9 Å²	67.9	13%	0.131	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	139.8	174.7	-65.5	167.9	0	0	0	108.9	F158 M159 V160 Y163 N192 V193 K195 A198	F158-L184 HydrophobicContact CB-CB 4.11Å; F158-L184 HydrophobicContact CB-CD1 4.26Å; F158-L184 HydrophobicContact CB-CD2 4.39Å; F158-L184 HydrophobicContact CB-CG 4.49Å; F158-L184 HydrophobicContact CD1-CB 3.83Å; F158-L184 HydrophobicContact CG-CB 4.16Å; F158-L184 HydrophobicContact CG-CD1 4.46Å; M159-L184 CarbonylContact O-C 3.6Å; M159-L184 VanDerWaalsContact O-CA 3.25Å; M159-L184 WeakPolarHBondContact O-CA 3.49Å; V160-L184 HydrophobicContact CB-CD2 4.42Å; V160-L184 HydrophobicContact CG2-CD2 3.71Å; Y163-L184 PolarHBondContact OH-O 3.4Å; Y163-L184 VanDerWaalsContact OH-O 3.1Å; L184-N192 CarbonylContact O-C 3.58Å; L184-N192 WeakPolarHBondContact O-CA 3.44Å; L184-V193 HydrophobicContact CB-CG2 4.04Å; L184-V193 PolarHBondContact N-O 3.39Å; L184-V193 PolarHBondContact O-N 3.33Å; L184-K195 HydrophobicContact CD1-CG 4.46Å; L184-K195 HydrophobicContact CG-CG 4.15Å; L184-A198 HydrophobicContact CD1-CB 3.59Å
185	Q	92.5	Very high	86	Confident	40 Å²	40	68.4 Å²	68.4	19%	0.187	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	133.9	170	178.1	167.7	88.2	0	0	108.7	M159 H161 V191 N192	M159-Q185 PolarHBondContact N-O 3.03Å; M159-Q185 PolarHBondContact O-N 3.47Å; H161-Q185 HydrophobicContact CB-CB 3.86Å; Q185-V191 CarbonylContact C-O 3.5Å; Q185-V191 WeakPolarHBondContact CA-O 3.46Å; Q185-N192 WeakPolarHBondContact CG-OD1 3.34Å; Q185-N192 PolarHBondContact NE2-OD1 3.42Å
186	C	86.2	Confident	85.9	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	127.4	171.3	176.8	0	0	0	0	109.6	H156 T157 F158 D188 R190 V191 C205	H156-C186 HydrophobicContact CB-CB 4.19Å; H156-C186 PolarHBondContact ND1-SG 3.05Å; H156-C186 VanDerWaalsContact ND1-SG 3.44Å; T157-C186 CarbonylContact O-C 3.59Å; T157-C186 VanDerWaalsContact O-CA 3.3Å; T157-C186 WeakPolarHBondContact O-CA 3.28Å; F158-C186 HydrophobicContact CD1-CB 4.08Å; F158-C186 HydrophobicContact CE1-CB 3.91Å; C186-D188 PolarHBondContact O-N 2.77Å; C186-D188 PolarHBondContact SG-N 2.94Å; C186-R190 WeakPolarHBondContact O-CA 3.45Å; C186-R190 PolarHBondContact O-N 2.91Å; C186-V191 HydrophobicContact CB-CG1 3.68Å; C186-V191 PolarHBondContact N-O 3.34Å; C186-C205 VanDerWaalsContact SG-SG 3.65Å
187	R	81.4	Confident	85.9	Confident	165 Å²	165	72.6 Å²	72.6	62%	0.623	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-35.1	178.9	-166.7	-177.2	73.7	163.1	5.7	112.1	T157 M159	T157-R187 PolarHBondContact O-N 2.88Å; M159-R187 HydrophobicContact CE-CB 4.04Å; M159-R187 HydrophobicContact CE-CG 3.86Å
188	D	71.8	Confident	86	Confident	56 Å²	56	68 Å²	68	30%	0.299	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-39.2	-163.9	-38.1	-59.6	0	0	0	112.3	T157 C186 A207	T157-D188 WeakPolarHBondContact CB-OD2 3.45Å; T157-D188 PolarHBondContact N-OD2 3.44Å; T157-D188 PolarHBondContact OG1-OD2 3.27Å; C186-D188 PolarHBondContact O-N 2.77Å; C186-D188 PolarHBondContact SG-N 2.94Å; D188-A207 HydrophobicContact CB-CB 3.7Å
189	C	83	Confident	86	Confident	40 Å²	40	70.5 Å²	70.5	27%	0.27	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	7.1	178.1	81.8	0	0	0	0	114.8	H156 V191	H156-C189 PolarHBondContact CE1-SG 3.47Å; H156-C189 PolarHBondContact ND1-SG 3.36Å; C189-V191 PolarHBondContact O-N 2.95Å
190	R	88.7	Confident	86.2	Confident	188 Å²	188	67.4 Å²	67.4	71%	0.709	32%	0.323	S	S	*	.			trans	54.2	19.7	179.5	-56.3	-156.7	-175.4	-171.6	5.2	117.3	C186 N192	C186-R190 WeakPolarHBondContact O-CA 3.45Å; C186-R190 PolarHBondContact O-N 2.91Å; R190-N192 PolarHBondContact O-OD1 2.93Å
191	V	89.9	Confident	86	Confident	26 Å²	26	63.3 Å²	63.3	16%	0.158	30%	0.298	C	S	.	.			trans	-68.8	138.1	174.1	74.2	0	0	0	0	111.2	F158 K170 Q185 C186 C189 L201	F158-V191 HydrophobicContact CE1-CG1 4.06Å; F158-V191 HydrophobicContact CZ-CG1 4.28Å; K170-V191 HydrophobicContact CB-CG2 3.48Å; K170-V191 VanDerWaalsContact CB-CG2 3.48Å; K170-V191 HydrophobicContact CG-CG2 3.56Å; Q185-V191 CarbonylContact C-O 3.5Å; Q185-V191 WeakPolarHBondContact CA-O 3.46Å; C186-V191 HydrophobicContact CB-CG1 3.68Å; C186-V191 PolarHBondContact N-O 3.34Å; C189-V191 PolarHBondContact O-N 2.95Å; V191-L201 HydrophobicContact CG1-CD2 3.78Å; V191-L201 HydrophobicContact CG2-CD2 4.23Å
192	N	93.9	Very high	85.5	Confident	35 Å²	35	59.8 Å²	59.8	19%	0.187	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	131.6	-174.4	-54.3	-45.1	0	0	0	110.9	Y163 T167 K170 L176 L184 Q185 R190	Y163-N192 HydrophobicContact CE1-CB 4.04Å; Y163-N192 WeakPolarHBondContact CE1-OD1 3.33Å; Y163-N192 WeakPolarHBondContact OH-CB 3.19Å; Y163-N192 PolarHBondContact OH-OD1 2.88Å; T167-N192 HydrophobicContact CG2-CB 3.97Å; K170-N192 PolarHBondContact N-O 2.89Å; L176-N192 HydrophobicContact CD1-CB 4.1Å; L184-N192 CarbonylContact O-C 3.58Å; L184-N192 WeakPolarHBondContact O-CA 3.44Å; Q185-N192 WeakPolarHBondContact CG-OD1 3.34Å; Q185-N192 PolarHBondContact NE2-OD1 3.42Å; R190-N192 PolarHBondContact O-OD1 2.93Å
193	V	94.2	Very high	84.8	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	158.6	-179.1	-63.1	0	0	0	0	113	F158 K170 G183 L184 A198 L201	F158-V193 HydrophobicContact CD1-CG2 4.12Å; F158-V193 HydrophobicContact CE1-CG2 3.54Å; F158-V193 HydrophobicContact CE2-CG2 4.43Å; F158-V193 HydrophobicContact CZ-CG2 3.72Å; K170-V193 HydrophobicContact CB-CG1 4.33Å; G183-V193 CarbonylContact C-O 3.52Å; G183-V193 WeakPolarHBondContact CA-O 3.32Å; L184-V193 HydrophobicContact CB-CG2 4.04Å; L184-V193 PolarHBondContact N-O 3.39Å; L184-V193 PolarHBondContact O-N 3.33Å; V193-A198 HydrophobicContact CG2-CB 3.92Å; V193-L201 HydrophobicContact CG1-CD1 4.08Å; V193-L201 HydrophobicContact CG1-CD2 3.96Å; V193-L201 HydrophobicContact CG1-CG 4.41Å
194	H	92.6	Very high	83.9	Confident	28 Å²	28	66 Å²	66	13%	0.13	33%	0.328	C	S	.	.			trans	-65.8	151.6	166.9	-63.3	109.6	0	0	0	110.4	C169 C172 L175 L176 K196 C197 A198	C169-H194 VanDerWaalsContact CB-CE1 3.48Å; C169-H194 WeakPolarHBondContact CB-CE1 3.43Å; C169-H194 VanDerWaalsContact CB-ND1 3.32Å; C169-H194 WeakPolarHBondContact CB-ND1 3.43Å; C169-H194 PolarHBondContact SG-N 3.11Å; C169-H194 PolarHBondContact SG-ND1 3.48Å; C169-H194 VanDerWaalsContact SG-ND1 3.39Å; C172-H194 PolarHBondContact SG-CE1 3.42Å; C172-H194 PolarHBondContact SG-ND1 2.88Å; L175-H194 PolarHBondContact O-CE1 3.23Å; L175-H194 PolarHBondContact O-NE2 2.88Å; L176-H194 HydrophobicContact CD2-CB 4.36Å; L176-H194 VanDerWaalsContact CD2-CD2 3.44Å; L176-H194 WeakPolarHBondContact CD2-CD2 3.42Å; H194-K196 HydrophobicContact CB-CG 4.04Å; H194-K196 PolarHBondContact O-N 3.45Å; H194-C197 HydrophobicContact CB-CB 4.13Å; H194-C197 PolarHBondContact O-N 3.41Å; H194-A198 PolarHBondContact O-N 3.28Å
195	K	89.4	Confident	83	Confident	120 Å²	120	65.1 Å²	65.1	52%	0.522	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-51.2	-41.2	173.1	-64.5	170.9	-171.6	162.4	0	112.6	R181 L184 C197	R181-K195 VanDerWaalsContact O-CE 3.24Å; R181-K195 WeakPolarHBondContact O-CE 3.47Å; R181-K195 PolarHBondContact O-NZ 2.98Å; L184-K195 HydrophobicContact CD1-CG 4.46Å; L184-K195 HydrophobicContact CG-CG 4.15Å; K195-C197 VanDerWaalsContact C-N 3.33Å; K195-C197 PolarHBondContact O-N 3.07Å
196	K	87.9	Confident	81.8	Confident	167 Å²	167	72.1 Å²	72.1	73%	0.726	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-76	-10.5	177	67.6	174.6	-178.7	177.5	0	115.6	H194	H194-K196 HydrophobicContact CB-CG 4.04Å; H194-K196 PolarHBondContact O-N 3.45Å
197	C	87.1	Confident	79.9	Confident	9 Å²	9	74.4 Å²	74.4	6%	0.061	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-105.4	-10.4	-177.3	-67	0	0	0	0	113.2	H171 H194 K195 S199 N200 L201	H171-C197 HydrophobicContact CB-CB 3.89Å; H194-C197 HydrophobicContact CB-CB 4.13Å; H194-C197 PolarHBondContact O-N 3.41Å; K195-C197 VanDerWaalsContact C-N 3.33Å; K195-C197 PolarHBondContact O-N 3.07Å; C197-S199 VanDerWaalsContact C-N 3.31Å; C197-S199 PolarHBondContact O-N 3.29Å; C197-N200 PolarHBondContact O-N 3Å; C197-L201 PolarHBondContact O-N 3.16Å; C197-L201 VanDerWaalsContact O-N 3.15Å
198	A	82.3	Confident	77.7	Confident	21 Å²	21	74.2 Å²	74.2	17%	0.174	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-32.3	-177.9	0	0	0	0	0	113.8	F158 L184 V193 H194 N200	F158-A198 HydrophobicContact CD2-CB 3.92Å; F158-A198 HydrophobicContact CE2-CB 3.89Å; L184-A198 HydrophobicContact CD1-CB 3.59Å; V193-A198 HydrophobicContact CG2-CB 3.92Å; H194-A198 PolarHBondContact O-N 3.28Å; A198-N200 PolarHBondContact O-N 2.91Å
199	S	77.4	Confident	75.9	Confident	100 Å²	100	78 Å²	78	70%	0.699	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-17.1	173.8	53.2	0	0	0	0	114.1	C197	C197-S199 VanDerWaalsContact C-N 3.31Å; C197-S199 PolarHBondContact O-N 3.29Å
200	N	78.9	Confident	73.5	Confident	98 Å²	98	81.4 Å²	81.4	52%	0.524	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-8.3	-172.3	-55.6	7.7	0	0	0	111.9	H171 C197 A198	H171-N200 VanDerWaalsContact CD2-C 3.46Å; H171-N200 PolarHBondContact CD2-O 3.09Å; H171-N200 WeakPolarHBondContact NE2-CB 3.41Å; H171-N200 PolarHBondContact NE2-O 2.89Å; C197-N200 PolarHBondContact O-N 3Å; A198-N200 PolarHBondContact O-N 2.91Å
201	L	77.5	Confident	70.6	Confident	18 Å²	18	82.2 Å²	82.2	9%	0.094	44%	0.435	C	S	.	.	S	Bend	trans	-69.2	140.2	172.7	-166.2	76.2	0	0	0	109.2	F158 K170 H171 V191 V193 C197	F158-L201 HydrophobicContact CZ-CD2 3.82Å; K170-L201 HydrophobicContact CB-CD1 4.31Å; K170-L201 HydrophobicContact CG-CD1 4.19Å; H171-L201 HydrophobicContact CB-CD1 4.01Å; V191-L201 HydrophobicContact CG1-CD2 3.78Å; V191-L201 HydrophobicContact CG2-CD2 4.23Å; V193-L201 HydrophobicContact CG1-CD1 4.08Å; V193-L201 HydrophobicContact CG1-CD2 3.96Å; V193-L201 HydrophobicContact CG1-CG 4.41Å; C197-L201 PolarHBondContact O-N 3.16Å; C197-L201 VanDerWaalsContact O-N 3.15Å
202	T	73.4	Confident	67.6	Low	95 Å²	95	84.6 Å²	84.6	58%	0.583	46%	0.457	S	S	*	.			trans	-54.4	139.7	172.8	45.3	0	0	0	0	110.6	H156 D204	H156-T202 PolarHBondContact CD2-O 3.08Å; H156-T202 PolarHBondContact NE2-O 3.37Å; T202-D204 VanDerWaalsContact CB-OD1 3.26Å; T202-D204 WeakPolarHBondContact CB-OD1 3.36Å; T202-D204 PolarHBondContact O-N 3.48Å; T202-D204 PolarHBondContact OG1-OD1 3.13Å
203	L	71.4	Confident	64.4	Low	88 Å²	88	91.8 Å²	91.8	46%	0.461	50%	0.495	S	S	.	.	S	Bend	trans	-81.6	52	179	-61.6	170.6	0	0	0	110	S153 L154 P155	S153-L203 CarbonylContact C-O 3.6Å; S153-L203 WeakPolarHBondContact CA-O 3.34Å; S153-L203 WeakPolarHBondContact CB-O 3.5Å; L154-L203 CarbonylContact C-O 3.17Å; L154-L203 PolarHBondContact N-O 3.43Å; L154-L203 CarbonylContact O-C 3.58Å; P155-L203 HydrophobicContact CB-CD2 4.03Å
204	D	72.2	Confident	61.2	Low	66 Å²	66	95.1 Å²	95.1	35%	0.353	53%	0.529	S	S	.	.			trans	-116.2	60.6	-179.1	76.2	-54.7	0	0	0	112.1	T202 R206	T202-D204 VanDerWaalsContact CB-OD1 3.26Å; T202-D204 WeakPolarHBondContact CB-OD1 3.36Å; T202-D204 PolarHBondContact O-N 3.48Å; T202-D204 PolarHBondContact OG1-OD1 3.13Å; D204-R206 WeakPolarHBondContact O-CG 3.49Å; D204-R206 PolarHBondContact O-N 3.16Å; D204-R206 IonicContact OD2-CZ 2.87Å; D204-R206 IonicContact OD2-NE 3.73Å; D204-R206 PolarHBondContact OD2-NE 2.86Å; D204-R206 IonicContact OD2-NH2 2.7Å; D204-R206 PolarHBondContact OD2-NH2 3.44Å
205	C	72.3	Confident	58	Low	8 Å²	8	101.2 Å²	101.2	5%	0.054	56%	0.563	C	S	.	*			trans	-70.1	87.3	178	-166.2	0	0	0	0	112.4	L154 H156 C186 A207	L154-C205 HydrophobicContact CB-CB 4.26Å; L154-C205 VanDerWaalsContact O-CB 3.23Å; L154-C205 WeakPolarHBondContact O-CB 3.06Å; L154-C205 PolarHBondContact O-N 3.02Å; H156-C205 PolarHBondContact ND1-SG 3.3Å; C186-C205 VanDerWaalsContact SG-SG 3.65Å; C205-A207 PolarHBondContact O-N 3.08Å
206	R	65.4	Low	55	Low	186 Å²	186	102.7 Å²	102.7	70%	0.702	58%	0.577	S	S	*	*			trans	-76.8	48.8	180	-57.5	-176.2	-166	-154.3	-1.7	113.9	D204 L208	D204-R206 WeakPolarHBondContact O-CG 3.49Å; D204-R206 PolarHBondContact O-N 3.16Å; D204-R206 IonicContact OD2-CZ 2.87Å; D204-R206 IonicContact OD2-NE 3.73Å; D204-R206 PolarHBondContact OD2-NE 2.86Å; D204-R206 IonicContact OD2-NH2 2.7Å; D204-R206 PolarHBondContact OD2-NH2 3.44Å; R206-L208 PolarHBondContact O-N 3.44Å
207	A	47.3	Very low	52.1	Low	48 Å²	48	104.5 Å²	104.5	40%	0.397	59%	0.588	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.8	-4.6	-174.9	0	0	0	0	0	115.7	D188 C205	D188-A207 HydrophobicContact CB-CB 3.7Å; C205-A207 PolarHBondContact O-N 3.08Å
208	L	35	Very low	49.1	Very low	161 Å²	161	109.7 Å²	109.7	84%	0.843	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.6	-6	-173.7	-86.7	154.8	0	0	0	115.8	R206	R206-L208 PolarHBondContact O-N 3.44Å
209	N	34.3	Very low	46.5	Very low	136 Å²	136	113.5 Å²	113.5	73%	0.727	66%	0.655	S	S	*	*	S	Bend	trans	-108.6	11.7	-171.1	-85.7	21.8	0	0	0	116.1
210	S	31.9	Very low	44.3	Very low	112 Å²	112	113 Å²	113	78%	0.783	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.8	32.2	-174.8	-60.9	0	0	0	0	115.4
211	Q	29.3	Very low	41.7	Very low	204 Å²	204	118 Å²	118	95%	0.953	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.8	11.1	169.3	-73.8	-168.2	-8	0	0	114.2
212	A	25.8	Very low	39.3	Very low	76 Å²	76	120.5 Å²	120.5	63%	0.628	71%	0.708	S	S	*	*	S	Bend	trans	-140.5	132.1	170.7	0	0	0	0	0	109.8
213	L	27.2	Very low	37.2	Very low	186 Å²	186	122.5 Å²	122.5	97%	0.974	72%	0.72	S	S	*	*			trans	84.3	111.6	-158.3	-56.9	160.5	0	0	0	111.5
214	G	27.3	Very low	35.1	Very low	71 Å²	71	124.8 Å²	124.8	73%	0.732	73%	0.732	S	S	*	*			cis	143.5	124.7	11.5	0	0	0	0	0	107.5	N216	G214-N216 PolarHBondContact O-N 3.47Å
215	N	24.7	Very low	33.2	Very low	156 Å²	156	129.8 Å²	129.8	83%	0.834	75%	0.753	S	S	*	*			trans	-60	133.7	-170.8	-61.3	-22.2	0	0	0	112.5
216	N	25.7	Very low	31.1	Very low	151 Å²	151	135.8 Å²	135.8	81%	0.807	79%	0.785	S	S	*	*				172	114.2	117.7	-85.6	-12.3	0	0	0	110.3	G214	G214-N216 PolarHBondContact O-N 3.47Å
217	E	27.7	Very low	29.5	Very low	205 Å²	205	134.6 Å²	134.6	96%	0.958	79%	0.792	S	S	*	*				-178.4	131	115.8	-98.7	-177.9	161.1	0	0	110
218	S	24.7	Very low	28.7	Very low	118 Å²	118	140.9 Å²	140.9	83%	0.825	81%	0.811	S	S	*	*			trans	-121.1	127.3	-176.4	52	0	0	0	0	110.1
219	A	27.6	Very low	28.3	Very low	100 Å²	100	142.9 Å²	142.9	83%	0.826	81%	0.813	S	S	*	*			trans	-174.6	147.4	149.2	0	0	0	0	0	113.8
220	A	30.3	Very low	27.9	Very low	90 Å²	90	141.3 Å²	141.3	74%	0.744	81%	0.813	S	S	*	*			trans	68.1	93.5	150.6	0	0	0	0	0	121
221	E	25.7	Very low	27.7	Very low	203 Å²	203	146.8 Å²	146.8	95%	0.949	82%	0.816	S	S	*	*				27.4	144.3	110.6	-56.8	-179.4	163.5	0	0	121.5
222	G	26.7	Very low	27.7	Very low	71 Å²	71	143.4 Å²	143.4	73%	0.732	81%	0.809	S	S	*	*			trans	145	81	151.2	0	0	0	0	0	119.9
223	V	29	Very low	27.7	Very low	137 Å²	137	146 Å²	146	83%	0.83	82%	0.817	S	S	*	*			trans	48.1	133.7	135.8	-174.9	0	0	0	0	122.9
224	D	26.5	Very low	27.7	Very low	135 Å²	135	143.6 Å²	143.6	72%	0.722	81%	0.805	S	S	*	*			trans	12.9	142.4	154.3	-61.8	-41.8	0	0	0	122
225	H	32.6	Very low	27.8	Very low	171 Å²	171	147.1 Å²	147.1	79%	0.792	81%	0.807	S	S	*	*				-160.3	164.6	57.5	-120.8	-68.8	0	0	0	114.4
226	D	28.4	Very low	28	Very low	134 Å²	134	142.6 Å²	142.6	72%	0.717	80%	0.797	S	S	*	*			trans	-53.1	153.3	167.3	-77	-61.9	0	0	0	114.6
227	D	32	Very low	28.1	Very low	162 Å²	162	144.9 Å²	144.9	87%	0.866	80%	0.8	S	S	*	*				-152.1	149.5	118.3	-136.3	-23	0	0	0	114.4
228	K	29.4	Very low	28.1	Very low	179 Å²	179	143.3 Å²	143.3	78%	0.778	79%	0.791	S	S	*	*			trans	-89	149.6	-174.2	-73.2	163.6	176.4	160.2	0	111.9
229	F	28.4	Very low	28.2	Very low	204 Å²	204	144 Å²	144	90%	0.895	79%	0.785	S	S	*	*			trans	-130	104.7	146.6	-161.1	-91.5	0	0	0	111.2
230	S	25.4	Very low	28.2	Very low	103 Å²	103	144.1 Å²	144.1	72%	0.72	78%	0.778	S	S	*	*			trans	-151.7	117	172.5	168.5	0	0	0	0	109.6
231	R	27.9	Very low	28.2	Very low	226 Å²	226	144.9 Å²	144.9	85%	0.853	78%	0.777	S	S	*	*			trans	-173.7	133.6	162.3	-100.9	167.3	-176.3	175.5	1.6	103.7
232	V	29	Very low	28.1	Very low	134 Å²	134	144.7 Å²	144.7	81%	0.812	77%	0.773	S	S	*	*			cis	-138	154.6	25.3	174.5	0	0	0	0	110.2
233	V	25.8	Very low	28.2	Very low	129 Å²	129	147.6 Å²	147.6	78%	0.782	78%	0.781	S	S	*	*			trans	-133.5	142.1	168.5	-165.2	0	0	0	0	108.8
234	N	27.7	Very low	28.1	Very low	136 Å²	136	146.1 Å²	146.1	73%	0.727	78%	0.777	S	S	*	*			trans	172.3	136.8	161	-106.1	49.5	0	0	0	104.5
235	D	29.1	Very low	28	Very low	145 Å²	145	144.5 Å²	144.5	78%	0.775	78%	0.776	S	S	*	*			cis	-148.7	172.3	-1.6	-76.7	-55.2	0	0	0	107.4
236	G	28.2	Very low	27.7	Very low	61 Å²	61	143 Å²	143	63%	0.629	78%	0.779	S	S	*	*			cis	168.8	168.9	-1.6	0	0	0	0	0	110.5
237	F	27.6	Very low	27.5	Very low	199 Å²	199	141.6 Å²	141.6	87%	0.873	78%	0.78	S	S	*	*			trans	63.9	143.1	-174.8	-76.7	-85.8	0	0	0	116.2
238	F	27.4	Very low	27.4	Very low	173 Å²	173	141.6 Å²	141.6	76%	0.759	78%	0.78	S	S	*	*			cis	-144.2	140.6	12.3	-154.3	-74.1	0	0	0	109.8	P240	F238-P240 HydrophobicContact CE1-CG 4.44Å
239	D	28	Very low	27.2	Very low	132 Å²	132	138.5 Å²	138.5	71%	0.706	78%	0.781	S	S	*	*			trans	-146.9	128.3	173.1	171.2	15	0	0	0	109.6	S241	D239-S241 PolarHBondContact OD1-N 2.99Å
240	P	27.8	Very low	27.2	Very low	103 Å²	103	132.2 Å²	132.2	67%	0.669	77%	0.773	S	S	*	*			trans	-122.5	88.1	160.2	36.6	-20.2	0	0	0	111.6	F238	F238-P240 HydrophobicContact CE1-CG 4.44Å
241	S	29.9	Very low	27.1	Very low	106 Å²	106	133 Å²	133	74%	0.741	78%	0.779	S	S	*	*				162	142.9	95.4	52.4	0	0	0	0	114.6	D239	D239-S241 PolarHBondContact OD1-N 2.99Å
242	K	24.4	Very low	27.1	Very low	199 Å²	199	129.6 Å²	129.6	87%	0.865	78%	0.778	S	S	*	*			trans	-124.6	140.7	161.7	-92.1	-174	174.2	179.2	0	109.3
243	C	27.5	Very low	26.9	Very low	132 Å²	132	132.2 Å²	132.2	89%	0.892	78%	0.781	S	S	*	*			trans	-142.2	121.1	146	-107.6	0	0	0	0	111.1
244	S	27.2	Very low	26.8	Very low	105 Å²	105	134.3 Å²	134.3	73%	0.734	78%	0.782	S	S	*	*			trans	-56.9	127.8	165.3	35.3	0	0	0	0	111.3
245	S	23.8	Very low	26.7	Very low	102 Å²	102	134.8 Å²	134.8	71%	0.713	78%	0.784	S	S	*	*				74.9	114.3	71.3	81.1	0	0	0	0	115.9
246	T	27.8	Very low	26.5	Very low	138 Å²	138	134.6 Å²	134.6	85%	0.847	78%	0.78	S	S	*	*			trans	-160.2	121.8	137.3	7.6	0	0	0	0	113
247	S	24	Very low	26.4	Very low	106 Å²	106	138.1 Å²	138.1	74%	0.741	79%	0.791	S	S	*	*			trans	3.2	130.2	152.6	55.4	0	0	0	0	120.9
248	N	29.3	Very low	26.4	Very low	161 Å²	161	131.8 Å²	131.8	86%	0.861	78%	0.783	S	S	*	*				-151.3	162.4	117.4	-139.9	-3.7	0	0	0	113.1
249	S	24.5	Very low	26.9	Very low	114 Å²	114	130.2 Å²	130.2	80%	0.797	78%	0.777	S	S	*	*			trans	-71.8	141.7	-172.4	45.8	0	0	0	0	114.9
250	G	28	Very low	27.6	Very low	72 Å²	72	125.8 Å²	125.8	74%	0.742	75%	0.754	S	S	*	*			trans	-159.1	118	168.4	0	0	0	0	0	110.1	N252	G250-N252 PolarHBondContact O-N 2.94Å
251	S	24.6	Very low	28.5	Very low	121 Å²	121	123.2 Å²	123.2	85%	0.846	73%	0.734	S	S	*	*			trans	-68.1	118.3	176.6	49.7	0	0	0	0	110.9
252	N	26.9	Very low	28.9	Very low	154 Å²	154	126 Å²	126	82%	0.824	74%	0.735	S	S	*	*			trans	-138.6	138.9	161.4	-84.1	-37.2	0	0	0	108.2	G250 E254	G250-N252 PolarHBondContact O-N 2.94Å; N252-E254 PolarHBondContact O-N 3.13Å
253	E	25	Very low	29.8	Very low	188 Å²	188	117.4 Å²	117.4	88%	0.879	70%	0.699	S	S	*	*			trans	-69.7	113.3	176.3	-64	-179.6	133.7	0	0	109.2	I255	E253-I255 VanDerWaalsContact C-N 3.31Å; E253-I255 PolarHBondContact O-N 3.49Å
254	E	24.3	Very low	29.9	Very low	173 Å²	173	114.3 Å²	114.3	81%	0.808	68%	0.682	S	S	*	*			trans	-71.5	89.1	169.6	-75.7	-169.8	144.4	0	0	109.5	N252 M256	N252-E254 PolarHBondContact O-N 3.13Å; E254-M256 PolarHBondContact O-N 2.96Å
255	I	25.7	Very low	30.3	Very low	147 Å²	147	113 Å²	113	75%	0.754	66%	0.661	S	S	*	*			trans	-58.4	123.2	163.8	-62.1	175.5	0	0	0	107.5	E253	E253-I255 VanDerWaalsContact C-N 3.31Å; E253-I255 PolarHBondContact O-N 3.49Å
256	M	24.5	Very low	30.9	Very low	141 Å²	141	109.5 Å²	109.5	70%	0.695	63%	0.634	S	S	*	*			trans	-59.4	128.4	-172.5	-69.3	-84	91.3	0	0	111.5	E254 G258	E254-M256 PolarHBondContact O-N 2.96Å; M256-G258 PolarHBondContact O-N 3.25Å
257	P	25.7	Very low	30.8	Very low	134 Å²	134	107.6 Å²	107.6	87%	0.87	62%	0.624	S	S	*	*	S	Bend	trans	-75.5	77.5	174.4	31.5	-34.3	0	0	0	110
258	G	28	Very low	31.1	Very low	67 Å²	67	103.8 Å²	103.8	69%	0.691	60%	0.602	S	S	*	*			trans	-138.1	-7.1	-171.2	0	0	0	0	0	117	M256	M256-G258 PolarHBondContact O-N 3.25Å
259	E	38.7	Very low	31.4	Very low	139 Å²	139	98.2 Å²	98.2	65%	0.65	57%	0.571	S	S	*	*			trans	-101	-21.6	-168.8	-63.4	-166	147.8	0	0	115.8	N648	E259-N648 VanDerWaalsContact O-CG 3.29Å; E259-N648 PolarHBondContact O-ND2 3.11Å; E259-N648 PolarHBondContact O-OD1 2.96Å; E259-N648 VanDerWaalsContact O-OD1 3.1Å
260	L	42.7	Very low	31.6	Very low	40 Å²	40	94.3 Å²	94.3	21%	0.209	55%	0.546	C	S	.	.	S	Bend	trans	-80.3	135.1	-179.7	-65	-165.9	0	0	0	113.1	Y638 T644 N648 P665	L260-Y638 WeakPolarHBondContact CD1-OH 3.41Å; L260-T644 HydrophobicContact CB-CG2 4.12Å; L260-N648 WeakPolarHBondContact CD2-OD1 3.35Å; L260-P665 HydrophobicContact CD1-CG 3.5Å; L260-P665 VanDerWaalsContact CD1-CG 3.5Å; L260-P665 HydrophobicContact CG-CG 4.36Å
261	I	45.2	Very low	31.8	Very low	49 Å²	49	91.9 Å²	91.9	25%	0.251	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-82.3	124.7	-176	-64.1	172.1	0	0	0	110.6	T644 F645 E649	I261-T644 VanDerWaalsContact O-CA 3.27Å; I261-T644 WeakPolarHBondContact O-CA 3.35Å; I261-T644 WeakPolarHBondContact O-CB 3.29Å; I261-F645 PolarHBondContact O-N 3.47Å; I261-E649 HydrophobicContact CD1-CB 3.44Å; I261-E649 VanDerWaalsContact CD1-CB 3.44Å; I261-E649 HydrophobicContact CD1-CG 3.37Å; I261-E649 VanDerWaalsContact CD1-N 3.28Å
262	Q	39.5	Very low	32.2	Very low	164 Å²	164	90.4 Å²	90.4	77%	0.766	50%	0.503	S	S	*	.	B	Isolated β-bridge	trans	-69.4	136.3	175.9	-66.7	-173.3	3.1	0	0	111.4	A264	Q262-A264 PolarHBondContact O-N 2.74Å
263	L	41.9	Very low	32.4	Very low	19 Å²	19	90.2 Å²	90.2	10%	0.099	49%	0.491	C	S	.	.	P	Polyproline II helix	trans	-63	131.8	179.2	-167.6	64.8	0	0	0	111.9	L530 I533 L534 V639 G643 F645	L263-L530 HydrophobicContact CD1-CD1 3.94Å; L263-L530 HydrophobicContact CD2-CD1 3.45Å; L263-L530 VanDerWaalsContact CD2-CD1 3.45Å; L263-L530 HydrophobicContact CG-CD1 3.61Å; L263-I533 HydrophobicContact CD2-CB 4.25Å; L263-I533 HydrophobicContact CD2-CD1 4.49Å; L263-I533 HydrophobicContact CD2-CG2 3.53Å; L263-L534 HydrophobicContact CB-CD2 4.21Å; L263-L534 HydrophobicContact CD2-CD2 4.18Å; L263-L534 HydrophobicContact CG-CD2 4.08Å; L263-L534 WeakPolarHBondContact O-CD2 3.39Å; L263-V639 HydrophobicContact CD1-CG1 3.63Å; L263-V639 HydrophobicContact CD2-CG1 3.59Å; L263-V639 HydrophobicContact CG-CG1 4.19Å; L263-G643 VanDerWaalsContact CB-O 3.3Å; L263-G643 WeakPolarHBondContact CB-O 3.46Å; L263-G643 PolarHBondContact N-O 2.8Å; L263-F645 HydrophobicContact CD1-CE2 3.71Å; L263-F645 HydrophobicContact CD1-CZ 3.86Å
264	A	31.4	Very low	32.7	Very low	67 Å²	67	89.6 Å²	89.6	55%	0.554	49%	0.487	S	S	*	.			trans	-144.3	146.6	179.3	0	0	0	0	0	111.6	Q262 I266	Q262-A264 PolarHBondContact O-N 2.74Å; A264-I266 PolarHBondContact O-N 3.43Å
265	R	34.9	Very low	32.9	Very low	77 Å²	77	86.8 Å²	86.8	29%	0.291	49%	0.487	S	S	.	.			trans	-71	117.9	178.6	-156.2	177.5	-143.2	156.8	11	110.6	Q269 S271 D528 L530 E531 L534	R265-Q269 PolarHBondContact NE-O 3.07Å; R265-S271 PolarHBondContact NH1-O 3.3Å; R265-D528 IonicContact CZ-OD2 3.63Å; R265-D528 IonicContact NH2-OD1 2.76Å; R265-D528 IonicContact NH2-OD2 3.58Å; R265-D528 PolarHBondContact NH2-OD2 2.92Å; R265-L530 HydrophobicContact CB-CD2 4.38Å; R265-L530 HydrophobicContact CG-CD2 4.05Å; R265-E531 IonicContact CZ-OE2 2.87Å; R265-E531 IonicContact NH1-OE2 3.65Å; R265-E531 PolarHBondContact NH1-OE2 3.17Å; R265-E531 VanDerWaalsContact NH1-OE2 3.09Å; R265-E531 IonicContact NH2-OE2 3.94Å; R265-E531 PolarHBondContact NH2-OE2 3.39Å; R265-L534 HydrophobicContact CB-CD1 4.05Å
266	I	35.5	Very low	33.1	Very low	28 Å²	28	90.7 Å²	90.7	14%	0.144	49%	0.492	C	S	.	.			trans	-67.8	134.2	-176.4	-56.4	173.8	0	0	0	110.1	Y93 A94 A264 G268 Q269	Y93-I266 HydrophobicContact CD2-CG2 4.41Å; A94-I266 HydrophobicContact CB-CG2 4.46Å; A264-I266 PolarHBondContact O-N 3.43Å; I266-G268 PolarHBondContact O-N 2.88Å; I266-Q269 PolarHBondContact O-N 3.22Å
267	P	27	Very low	33.5	Very low	98 Å²	98	90.6 Å²	90.6	64%	0.636	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	97.3	178.9	-25.7	35.4	0	0	0	113.6
268	G	29.3	Very low	34	Very low	27 Å²	27	94.5 Å²	94.5	28%	0.278	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	154.7	-52.6	179.5	0	0	0	0	0	111.3	I266 A270 S454	I266-G268 PolarHBondContact O-N 2.88Å; G268-A270 VanDerWaalsContact C-N 3.32Å; G268-A270 PolarHBondContact O-N 3.42Å; G268-S454 CarbonylContact C-O 3.59Å; G268-S454 PolarHBondContact O-N 3.38Å; G268-S454 PolarHBondContact O-OG 3.1Å
269	Q	35.6	Very low	34.9	Very low	44 Å²	44	98.8 Å²	98.8	21%	0.206	50%	0.496	C	S	.	.			trans	-86.4	66.6	-175.5	-59	-163.8	-91.3	0	0	112	R265 I266	R265-Q269 PolarHBondContact NE-O 3.07Å; I266-Q269 PolarHBondContact O-N 3.22Å
270	A	29.7	Very low	35.7	Very low	32 Å²	32	94 Å²	94	26%	0.264	48%	0.479	S	S	.	.			trans	-106.6	104.7	-178	0	0	0	0	0	113.3	G268 V272 L452 G453	G268-A270 VanDerWaalsContact C-N 3.32Å; G268-A270 PolarHBondContact O-N 3.42Å; A270-V272 HydrophobicContact CB-CG2 4.06Å; A270-V272 PolarHBondContact O-N 3.25Å; A270-V272 VanDerWaalsContact O-N 3.13Å; A270-L452 CarbonylContact C-O 3.45Å; A270-L452 VanDerWaalsContact C-O 3.3Å; A270-L452 CarbonylContact O-C 3.59Å; A270-L452 VanDerWaalsContact O-O 3.09Å; A270-G453 PolarHBondContact O-N 2.84Å
271	S	32	Very low	36.9	Very low	20 Å²	20	96.6 Å²	96.6	14%	0.14	50%	0.497	C	S	.	.			trans	-63	107.1	146	144	0	0	0	0	107.2	R265 R273 L452 E531	R265-S271 PolarHBondContact NH1-O 3.3Å; S271-R273 PolarHBondContact O-N 3.21Å; S271-L452 WeakPolarHBondContact CA-O 3.44Å; S271-L452 PolarHBondContact N-O 2.9Å; S271-E531 WeakPolarHBondContact CB-OE2 3.36Å; S271-E531 PolarHBondContact OG-OE2 3.06Å
272	V	32.2	Very low	38.3	Very low	91 Å²	91	98.7 Å²	98.7	55%	0.552	51%	0.508	S	S	*	.			trans	-84.6	98.7	178.4	-177.8	0	0	0	0	108.7	A270 Q274	A270-V272 HydrophobicContact CB-CG2 4.06Å; A270-V272 PolarHBondContact O-N 3.25Å; A270-V272 VanDerWaalsContact O-N 3.13Å; V272-Q274 PolarHBondContact O-N 3.25Å
273	R	31.3	Very low	40.3	Very low	150 Å²	150	95 Å²	95	57%	0.566	50%	0.497	S	S	*	.			trans	-49.6	135.8	166.2	-86.4	-171.6	175.8	-161.3	-8.1	110.1	S271 S275 E531	S271-R273 PolarHBondContact O-N 3.21Å; R273-S275 PolarHBondContact O-N 2.88Å; R273-E531 WeakPolarHBondContact CG-OE1 3.32Å; R273-E531 IonicContact CZ-OE1 2.75Å; R273-E531 IonicContact NE-OE1 3.3Å; R273-E531 PolarHBondContact NE-OE1 3.28Å; R273-E531 IonicContact NH2-OE1 3.83Å
274	Q	32.1	Very low	42.3	Very low	174 Å²	174	94.6 Å²	94.6	81%	0.813	50%	0.495	S	S	*	.			trans	-57.6	89.4	-171	-66	177.6	-6.8	0	0	113.5	V272 R276	V272-Q274 PolarHBondContact O-N 3.25Å; Q274-R276 PolarHBondContact O-N 2.82Å
275	S	27.2	Very low	45	Very low	115 Å²	115	96 Å²	96	80%	0.804	49%	0.49	S	S	*	.			trans	-67.4	103.5	159.2	-174.1	0	0	0	0	108	R273 M277	R273-S275 PolarHBondContact O-N 2.88Å; S275-M277 PolarHBondContact O-N 3.46Å
276	R	30.9	Very low	47.2	Very low	228 Å²	228	93 Å²	93	86%	0.86	48%	0.483	S	S	*	.			trans	-30	124.7	-176	-68.3	173.4	170.3	173.6	-4.1	114.4	Q274 R278	Q274-R276 PolarHBondContact O-N 2.82Å; R276-R278 VanDerWaalsContact C-N 3.33Å; R276-R278 PolarHBondContact O-N 3.08Å
277	M	33.7	Very low	49.4	Very low	140 Å²	140	95.1 Å²	95.1	69%	0.69	49%	0.489	S	S	*	.	S	Bend	trans	-31.3	76.6	171.4	-68.9	-174.9	83.1	0	0	116.1	S275 A308 F325	S275-M277 PolarHBondContact O-N 3.46Å; M277-A308 HydrophobicContact CE-CB 4.34Å; M277-F325 HydrophobicContact CE-CE1 4.33Å; M277-F325 HydrophobicContact CE-CZ 4.14Å
278	R	34.9	Very low	51.9	Low	216 Å²	216	90.9 Å²	90.9	82%	0.815	46%	0.461	S	S	*	.			trans	-146.4	118.7	169.7	-74	-166.4	168.5	-179.6	-5.4	109.5	R276	R276-R278 VanDerWaalsContact C-N 3.33Å; R276-R278 PolarHBondContact O-N 3.08Å
279	N	48	Very low	54.5	Low	156 Å²	156	90 Å²	90	83%	0.834	45%	0.45	S	S	*	.			trans	90.2	34.4	174.7	-47.8	-4.3	0	0	0	116.6
280	S	54.5	Low	56.9	Low	40 Å²	40	88.2 Å²	88.2	28%	0.28	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-57.7	131	146.6	28.4	0	0	0	0	109	I282 D306	S280-I282 PolarHBondContact O-N 3.26Å; S280-D306 WeakPolarHBondContact CB-OD2 3.32Å; S280-D306 PolarHBondContact OG-OD2 2.81Å
281	P	67.4	Low	59.6	Low	93 Å²	93	87 Å²	87	60%	0.604	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-67.5	135.1	-179.6	26.6	-33.2	0	0	0	110.8	V283 T307	P281-V283 PolarHBondContact O-N 3.4Å; P281-T307 HydrophobicContact CG-CG2 4.42Å
282	I	76.6	Confident	62.5	Low	94 Å²	94	87.1 Å²	87.1	48%	0.482	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-68.5	124.4	175.8	-63.8	162.8	0	0	0	108.4	S280 E285 L304	S280-I282 PolarHBondContact O-N 3.26Å; I282-E285 HydrophobicContact CG2-CB 4.13Å; I282-E285 HydrophobicContact CG2-CG 4.49Å; I282-L304 HydrophobicContact CD1-CD2 4.09Å; I282-L304 HydrophobicContact CG2-CD2 4.47Å
283	V	79.6	Confident	65.2	Low	86 Å²	86	85.8 Å²	85.8	52%	0.521	42%	0.42	S	S	.	.			trans	-90.5	-36.4	-179.8	-177	0	0	0	0	110.9	P281 M305 T307	P281-V283 PolarHBondContact O-N 3.4Å; V283-M305 HydrophobicContact CB-CE 3.67Å; V283-M305 HydrophobicContact CG1-CE 3.48Å; V283-M305 VanDerWaalsContact CG1-CE 3.48Å; V283-M305 PolarHBondContact N-O 2.98Å; V283-T307 HydrophobicContact CG2-CG2 3.72Å
284	L	84.2	Confident	67.8	Low	11 Å²	11	85.7 Å²	85.7	6%	0.058	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	141.8	177.8	-174.7	61.6	0	0	0	110.6	M305 R398 W399 A402	L284-M305 HydrophobicContact CB-CB 4.16Å; L284-M305 HydrophobicContact CB-CE 4.32Å; L284-M305 PolarHBondContact N-O 3.5Å; L284-M305 WeakPolarHBondContact O-CB 3.43Å; L284-M305 PolarHBondContact O-N 3.44Å; L284-R398 VanDerWaalsContact CD1-NH2 3.33Å; L284-R398 HydrophobicContact CD2-CG 4.44Å; L284-W399 HydrophobicContact CB-CH2 4.49Å; L284-W399 HydrophobicContact CD2-CB 4.49Å; L284-W399 HydrophobicContact CD2-CD2 3.51Å; L284-W399 HydrophobicContact CD2-CE3 3.87Å; L284-W399 HydrophobicContact CD2-CG 3.81Å; L284-W399 HydrophobicContact CD2-CH2 4.43Å; L284-W399 HydrophobicContact CD2-CZ2 4.13Å; L284-W399 HydrophobicContact CD2-CZ3 4.33Å; L284-W399 HydrophobicContact CG-CD2 4.19Å; L284-W399 HydrophobicContact CG-CH2 4.2Å; L284-W399 HydrophobicContact CG-CZ2 3.87Å; L284-A402 HydrophobicContact CD2-CB 3.63Å
285	E	87.8	Confident	70.3	Confident	97 Å²	97	80.6 Å²	80.6	45%	0.453	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	159.7	174.1	61.6	175.4	150.7	0	0	112.8	I282 Y302 W303 L304	I282-E285 HydrophobicContact CG2-CB 4.13Å; I282-E285 HydrophobicContact CG2-CG 4.49Å; E285-Y302 HydrophobicContact CB-CE1 4.15Å; E285-Y302 VanDerWaalsContact OE2-CE1 3.25Å; E285-Y302 WeakPolarHBondContact OE2-CE1 3.45Å; E285-Y302 VanDerWaalsContact OE2-CZ 3.31Å; E285-Y302 PolarHBondContact OE2-OH 2.6Å; E285-W303 VanDerWaalsContact CA-O 3.24Å; E285-W303 WeakPolarHBondContact CA-O 3.38Å; E285-L304 HydrophobicContact CB-CD2 3.62Å
286	G	82.5	Confident	72.8	Confident	14 Å²	14	79.6 Å²	79.6	14%	0.144	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	158.6	168.3	173.3	0	0	0	0	0	114.5	W303	G286-W303 PolarHBondContact N-O 3.23Å; G286-W303 PolarHBondContact O-N 3.41Å
287	W	80.6	Confident	75.2	Confident	72 Å²	72	71.4 Å²	71.4	27%	0.273	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	131.2	172.8	-72.8	102.7	0	0	0	111.3	R300 Y302	W287-R300 HydrophobicContact CD2-CG 4.49Å; W287-R300 HydrophobicContact CE3-CG 3.64Å; W287-R300 HydrophobicContact CZ3-CG 4.11Å; W287-Y302 AromaticContact CD1-CD2 3.73Å; W287-Y302 AromaticContact CD1-CE2 3.98Å; W287-Y302 AromaticContact CD2-CD2 3.76Å; W287-Y302 HydrophobicContact CD2-CD2 3.76Å; W287-Y302 AromaticContact CE2-CD2 3.64Å; W287-Y302 HydrophobicContact CE3-CD2 4.43Å; W287-Y302 AromaticContact CG-CD2 3.83Å; W287-Y302 HydrophobicContact CG-CD2 3.83Å; W287-Y302 HydrophobicContact CG-CE2 4.44Å; W287-Y302 HydrophobicContact CZ2-CD2 4.25Å; W287-Y302 AromaticContact NE1-CD2 3.6Å; W287-Y302 AromaticContact NE1-CE2 3.97Å
288	L	80.4	Confident	77.3	Confident	8 Å²	8	68 Å²	68	4%	0.042	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	141.4	172.5	-76.2	173.4	0	0	0	111.3	H301 W303 V362 W399	L288-H301 PolarHBondContact N-O 2.78Å; L288-H301 PolarHBondContact O-N 3.29Å; L288-W303 HydrophobicContact CB-CD2 4.16Å; L288-W303 HydrophobicContact CB-CG 4.04Å; L288-W303 HydrophobicContact CD1-CB 4.23Å; L288-W303 HydrophobicContact CD1-CD2 3.6Å; L288-W303 HydrophobicContact CD1-CE3 3.64Å; L288-W303 HydrophobicContact CD1-CG 3.86Å; L288-W303 HydrophobicContact CD1-CZ3 4.29Å; L288-W303 HydrophobicContact CG-CD2 4.47Å; L288-W303 HydrophobicContact CG-CG 4.39Å; L288-V362 HydrophobicContact CD1-CG1 4.02Å; L288-V362 HydrophobicContact CD2-CG1 4.39Å; L288-W399 HydrophobicContact CD1-CD2 3.62Å; L288-W399 HydrophobicContact CD1-CE3 4.11Å; L288-W399 HydrophobicContact CD1-CG 3.83Å; L288-W399 HydrophobicContact CD1-CZ2 4.18Å
289	L	83	Confident	79.5	Confident	10 Å²	10	60.7 Å²	60.7	5%	0.052	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	135.7	164.2	-80.9	159.4	0	0	0	109.3	R298 R300 G363 E364 L384	L289-R298 HydrophobicContact CD2-CB 4.36Å; L289-R300 HydrophobicContact CD2-CB 3.86Å; L289-R300 HydrophobicContact CG-CB 4.38Å; L289-G363 PolarHBondContact O-N 3.32Å; L289-E364 HydrophobicContact CB-CG 4.29Å; L289-E364 HydrophobicContact CD1-CG 3.89Å; L289-E364 WeakPolarHBondContact CD1-OE2 3.47Å; L289-L384 HydrophobicContact CD2-CD1 4.45Å
290	H	86.7	Confident	81.1	Confident	6 Å²	6	57.4 Å²	57.4	3%	0.028	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	160.9	173.3	70.2	103.1	0	0	0	112.2	K299 H301 W303 L312 F360 Y361 V362	H290-K299 PolarHBondContact CD2-O 3.01Å; H290-K299 VanDerWaalsContact CD2-O 3.26Å; H290-K299 PolarHBondContact N-O 3.19Å; H290-K299 PolarHBondContact O-N 2.69Å; H290-H301 AromaticContact CD2-ND1 3.84Å; H290-H301 AromaticContact CE1-ND1 3.93Å; H290-H301 AromaticContact NE2-CE1 3.82Å; H290-H301 AromaticContact NE2-CG 3.7Å; H290-H301 AromaticContact NE2-ND1 2.99Å; H290-H301 PolarHBondContact NE2-ND1 3.49Å; H290-W303 HydrophobicContact CB-CZ2 3.87Å; H290-W303 AromaticContact CD2-CZ2 3.82Å; H290-W303 AromaticContact CD2-NE1 3.56Å; H290-W303 AromaticContact CG-CZ2 3.77Å; H290-L312 WeakPolarHBondContact NE2-CD2 3.47Å; H290-F360 AromaticContact ND1-CD1 3.97Å; H290-Y361 WeakPolarHBondContact CA-O 3.37Å; H290-Y361 WeakPolarHBondContact CB-O 3.14Å; H290-V362 HydrophobicContact CB-CG2 4.45Å
291	F	87.4	Confident	82.5	Confident	5 Å²	5	55.9 Å²	55.9	2%	0.022	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	174.4	169.1	60.3	-80.5	0	0	0	108.9	R298 H349 Y361	F291-R298 HydrophobicContact CD1-CG 4Å; F291-H349 HydrophobicContact CE1-CB 4.24Å; F291-H349 HydrophobicContact CZ-CB 4.4Å; F291-Y361 AromaticContact CD2-CD2 3.48Å; F291-Y361 HydrophobicContact CD2-CD2 3.48Å; F291-Y361 VanDerWaalsContact CD2-CD2 3.48Å; F291-Y361 HydrophobicContact CD2-CE2 4.38Å; F291-Y361 HydrophobicContact CD2-CG 4.06Å; F291-Y361 HydrophobicContact CE1-CG 4.47Å; F291-Y361 AromaticContact CE2-CD2 3.3Å; F291-Y361 HydrophobicContact CE2-CD2 3.3Å; F291-Y361 HydrophobicContact CE2-CE2 4.13Å; F291-Y361 AromaticContact CE2-CG 3.59Å; F291-Y361 HydrophobicContact CE2-CG 3.59Å; F291-Y361 HydrophobicContact CG-CD2 4.32Å; F291-Y361 HydrophobicContact CZ-CD2 4.03Å; F291-Y361 AromaticContact CZ-CG 3.82Å; F291-Y361 HydrophobicContact CZ-CG 3.82Å; F291-Y361 PolarHBondContact N-O 2.92Å; F291-Y361 PolarHBondContact O-N 2.63Å
292	T	90.9	Very high	83.3	Confident	23 Å²	23	52.9 Å²	52.9	14%	0.141	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	164.8	-178.1	70.6	0	0	0	0	112.5	F294 N295 V358 I359 F360	T292-F294 PolarHBondContact O-N 3.32Å; T292-F294 VanDerWaalsContact O-N 3.11Å; T292-F294 PolarHBondContact OG1-N 3.35Å; T292-N295 PolarHBondContact N-O 2.87Å; T292-N295 CarbonylContact O-C 3.52Å; T292-N295 VanDerWaalsContact O-C 3.22Å; T292-N295 PolarHBondContact O-N 2.95Å; T292-N295 VanDerWaalsContact O-O 3.13Å; T292-N295 PolarHBondContact OG1-N 3.18Å; T292-V358 HydrophobicContact CG2-CG1 3.65Å; T292-I359 VanDerWaalsContact CA-O 3.24Å; T292-I359 WeakPolarHBondContact CA-O 3.23Å; T292-I359 WeakPolarHBondContact CB-O 3.05Å; T292-F360 HydrophobicContact CG2-CD1 3.73Å; T292-F360 HydrophobicContact CG2-CE1 3.94Å; T292-F360 HydrophobicContact CG2-CG 4.27Å
293	N	88.9	Confident	83.9	Confident	63 Å²	63	48.4 Å²	48.4	34%	0.337	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-17.9	174.8	66.5	-58.3	0	0	0	114.1	I359 Y361	N293-I359 HydrophobicContact CB-CB 4.27Å; N293-I359 PolarHBondContact N-O 2.84Å; N293-I359 PolarHBondContact OD1-N 2.96Å; N293-I359 PolarHBondContact OD1-O 3.47Å; N293-Y361 HydrophobicContact CB-CE2 4.04Å
294	F	86.9	Confident	84.3	Confident	148 Å²	148	46.2 Å²	46.2	65%	0.649	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-15.3	174.1	-58.8	-77.7	0	0	0	113.9	T292 Q357 V358	T292-F294 PolarHBondContact O-N 3.32Å; T292-F294 VanDerWaalsContact O-N 3.11Å; T292-F294 PolarHBondContact OG1-N 3.35Å; F294-Q357 VanDerWaalsContact CE2-O 3.3Å; F294-Q357 WeakPolarHBondContact CE2-O 3.28Å; F294-V358 HydrophobicContact CD2-CG1 4.41Å; F294-V358 HydrophobicContact CD2-CG2 4.21Å; F294-V358 HydrophobicContact CE2-CG2 4.02Å
295	N	83.7	Confident	84.4	Confident	67 Å²	67	45.8 Å²	45.8	36%	0.358	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	100.2	-176.9	-171.9	-25.4	0	0	0	109.7	T292 A297 K299	T292-N295 PolarHBondContact N-O 2.87Å; T292-N295 CarbonylContact O-C 3.52Å; T292-N295 VanDerWaalsContact O-C 3.22Å; T292-N295 PolarHBondContact O-N 2.95Å; T292-N295 VanDerWaalsContact O-O 3.13Å; T292-N295 PolarHBondContact OG1-N 3.18Å; N295-A297 PolarHBondContact O-N 3.48Å; N295-A297 WeakPolarHBondContact OD1-CB 3.46Å; N295-A297 PolarHBondContact OD1-N 2.95Å; N295-K299 PolarHBondContact ND2-NZ 3.16Å; N295-K299 VanDerWaalsContact ND2-NZ 3.19Å
296	Q	81.3	Confident	84.2	Confident	94 Å²	94	42.2 Å²	42.2	44%	0.439	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	-6.1	-178.8	-60	-173.7	4.4	0	0	113.8	R298 N343	Q296-R298 PolarHBondContact O-N 3.42Å; Q296-R298 VanDerWaalsContact O-N 3.14Å; Q296-N343 PolarHBondContact OE1-ND2 3.24Å
297	A	80.2	Confident	83.8	Confident	57 Å²	57	43.5 Å²	43.5	47%	0.471	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	115.9	175.5	0	0	0	0	0	109.7	N295 K299	N295-A297 PolarHBondContact O-N 3.48Å; N295-A297 WeakPolarHBondContact OD1-CB 3.46Å; N295-A297 PolarHBondContact OD1-N 2.95Å; A297-K299 PolarHBondContact O-N 3.32Å
298	R	78.6	Confident	83.5	Confident	68 Å²	68	41.4 Å²	41.4	26%	0.257	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	127.7	-178.5	-64.9	179.7	-178.3	-114	-17.2	110.8	L289 F291 Q296 P347 E364	L289-R298 HydrophobicContact CD2-CB 4.36Å; F291-R298 HydrophobicContact CD1-CG 4Å; Q296-R298 PolarHBondContact O-N 3.42Å; Q296-R298 VanDerWaalsContact O-N 3.14Å; R298-P347 VanDerWaalsContact CZ-O 3.25Å; R298-P347 PolarHBondContact NH1-O 3.45Å; R298-P347 VanDerWaalsContact NH1-O 3.16Å; R298-P347 PolarHBondContact NH2-O 3.26Å; R298-E364 WeakPolarHBondContact CD-OE1 3.37Å; R298-E364 IonicContact CZ-OE1 2.82Å; R298-E364 IonicContact NE-OE1 2.6Å; R298-E364 IonicContact NH1-OE1 2.94Å; R298-E364 PolarHBondContact NH1-OE1 3.1Å
299	K	80.8	Confident	83.8	Confident	62 Å²	62	41 Å²	41	27%	0.27	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	127.3	-178.9	-62.8	170	-162.8	175.6	0	109.7	H290 N295 A297 Y323	H290-K299 PolarHBondContact CD2-O 3.01Å; H290-K299 VanDerWaalsContact CD2-O 3.26Å; H290-K299 PolarHBondContact N-O 3.19Å; H290-K299 PolarHBondContact O-N 2.69Å; N295-K299 PolarHBondContact ND2-NZ 3.16Å; N295-K299 VanDerWaalsContact ND2-NZ 3.19Å; A297-K299 PolarHBondContact O-N 3.32Å; K299-Y323 PolarHBondContact NZ-OH 3.35Å
300	R	80.9	Confident	84.1	Confident	88 Å²	88	40.5 Å²	40.5	33%	0.332	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	121.2	172.3	-174.6	172.3	-179.3	-121.4	15.7	108.8	W287 L289 E388	W287-R300 HydrophobicContact CD2-CG 4.49Å; W287-R300 HydrophobicContact CE3-CG 3.64Å; W287-R300 HydrophobicContact CZ3-CG 4.11Å; L289-R300 HydrophobicContact CD2-CB 3.86Å; L289-R300 HydrophobicContact CG-CB 4.38Å; R300-E388 PolarHBondContact NH2-O 3.09Å
301	H	84.8	Confident	84.3	Confident	7 Å²	7	41 Å²	41	3%	0.032	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	154.4	175.6	-74.1	90.5	0	0	0	109.8	L288 H290 L312 H313 H314 Y323	L288-H301 PolarHBondContact N-O 2.78Å; L288-H301 PolarHBondContact O-N 3.29Å; H290-H301 AromaticContact CD2-ND1 3.84Å; H290-H301 AromaticContact CE1-ND1 3.93Å; H290-H301 AromaticContact NE2-CE1 3.82Å; H290-H301 AromaticContact NE2-CG 3.7Å; H290-H301 AromaticContact NE2-ND1 2.99Å; H290-H301 PolarHBondContact NE2-ND1 3.49Å; H301-L312 HydrophobicContact CB-CB 4.26Å; H301-H313 CarbonylContact C-O 3.52Å; H301-H313 WeakPolarHBondContact CA-O 3.45Å; H301-H313 WeakPolarHBondContact CB-O 3.44Å; H301-H313 PolarHBondContact CD2-O 3.1Å; H301-H314 AromaticContact NE2-CD2 3.89Å; H301-H314 AromaticContact NE2-NE2 3.82Å; H301-Y323 AromaticContact CD2-CG 3.88Å; H301-Y323 AromaticContact CE1-CD1 3.66Å; H301-Y323 AromaticContact CE1-CE1 3.83Å; H301-Y323 AromaticContact CE1-CG 3.91Å; H301-Y323 AromaticContact NE2-CD1 3.45Å; H301-Y323 WeakPolarHBondContact NE2-CD1 3.34Å; H301-Y323 AromaticContact NE2-CD2 3.67Å; H301-Y323 AromaticContact NE2-CG 3.25Å; H301-Y323 VanDerWaalsContact NE2-CG 3.25Å
302	Y	83.2	Confident	84.3	Confident	31 Å²	31	40.8 Å²	40.8	12%	0.122	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	115.4	169.3	-162.9	-102.3	0	0	0	108.4	E285 W287 L304 H313	E285-Y302 HydrophobicContact CB-CE1 4.15Å; E285-Y302 VanDerWaalsContact OE2-CE1 3.25Å; E285-Y302 WeakPolarHBondContact OE2-CE1 3.45Å; E285-Y302 VanDerWaalsContact OE2-CZ 3.31Å; E285-Y302 PolarHBondContact OE2-OH 2.6Å; W287-Y302 AromaticContact CD1-CD2 3.73Å; W287-Y302 AromaticContact CD1-CE2 3.98Å; W287-Y302 AromaticContact CD2-CD2 3.76Å; W287-Y302 HydrophobicContact CD2-CD2 3.76Å; W287-Y302 AromaticContact CE2-CD2 3.64Å; W287-Y302 HydrophobicContact CE3-CD2 4.43Å; W287-Y302 AromaticContact CG-CD2 3.83Å; W287-Y302 HydrophobicContact CG-CD2 3.83Å; W287-Y302 HydrophobicContact CG-CE2 4.44Å; W287-Y302 HydrophobicContact CZ2-CD2 4.25Å; W287-Y302 AromaticContact NE1-CD2 3.6Å; W287-Y302 AromaticContact NE1-CE2 3.97Å; Y302-L304 HydrophobicContact CD1-CD2 4.01Å; Y302-L304 HydrophobicContact CD1-CG 4.23Å; Y302-L304 HydrophobicContact CE1-CD2 3.65Å; Y302-L304 HydrophobicContact CE1-CG 4.37Å; Y302-H313 PolarHBondContact N-O 3.14Å; Y302-H313 PolarHBondContact O-N 2.94Å
303	W	89.3	Confident	84	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	132.3	-177.6	-72.7	41	0	0	0	109.1	E285 G286 L288 H290 I310 A311 L312 I353 V362 W399	E285-W303 VanDerWaalsContact CA-O 3.24Å; E285-W303 WeakPolarHBondContact CA-O 3.38Å; G286-W303 PolarHBondContact N-O 3.23Å; G286-W303 PolarHBondContact O-N 3.41Å; L288-W303 HydrophobicContact CB-CD2 4.16Å; L288-W303 HydrophobicContact CB-CG 4.04Å; L288-W303 HydrophobicContact CD1-CB 4.23Å; L288-W303 HydrophobicContact CD1-CD2 3.6Å; L288-W303 HydrophobicContact CD1-CE3 3.64Å; L288-W303 HydrophobicContact CD1-CG 3.86Å; L288-W303 HydrophobicContact CD1-CZ3 4.29Å; L288-W303 HydrophobicContact CG-CD2 4.47Å; L288-W303 HydrophobicContact CG-CG 4.39Å; H290-W303 HydrophobicContact CB-CZ2 3.87Å; H290-W303 AromaticContact CD2-CZ2 3.82Å; H290-W303 AromaticContact CD2-NE1 3.56Å; H290-W303 AromaticContact CG-CZ2 3.77Å; W303-I310 HydrophobicContact CB-CG2 4.47Å; W303-I310 HydrophobicContact CD2-CG2 4.1Å; W303-I310 HydrophobicContact CE3-CG2 3.45Å; W303-I310 VanDerWaalsContact CE3-CG2 3.45Å; W303-I310 HydrophobicContact CZ3-CD1 4.26Å; W303-I310 HydrophobicContact CZ3-CG2 3.97Å; W303-A311 CarbonylContact C-O 3.55Å; W303-A311 WeakPolarHBondContact CA-O 3.21Å; W303-L312 HydrophobicContact CD2-CD1 4.4Å; W303-L312 HydrophobicContact CD2-CG 4.12Å; W303-L312 HydrophobicContact CG-CG 4.21Å; W303-L312 HydrophobicContact CZ2-CD2 3.77Å; W303-L312 HydrophobicContact CZ2-CG 4.22Å; W303-I353 HydrophobicContact CH2-CD1 4.01Å; W303-I353 HydrophobicContact CZ3-CD1 3.83Å; W303-V362 HydrophobicContact CH2-CG1 4.17Å; W303-V362 HydrophobicContact CH2-CG2 3.8Å; W303-V362 HydrophobicContact CZ2-CG1 4.43Å; W303-V362 HydrophobicContact CZ2-CG2 4.41Å; W303-W399 HydrophobicContact CB-CH2 3.47Å; W303-W399 VanDerWaalsContact CB-CH2 3.47Å; W303-W399 HydrophobicContact CB-CZ2 3.82Å; W303-W399 HydrophobicContact CB-CZ3 4.11Å; W303-W399 HydrophobicContact CE3-CE3 4.32Å; W303-W399 HydrophobicContact CE3-CZ3 4.06Å
304	L	87.7	Confident	83.5	Confident	39 Å²	39	43.3 Å²	43.3	20%	0.204	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	111.4	172.8	-66.1	177.7	0	0	0	107.5	I282 E285 Y302 I310 A311	I282-L304 HydrophobicContact CD1-CD2 4.09Å; I282-L304 HydrophobicContact CG2-CD2 4.47Å; E285-L304 HydrophobicContact CB-CD2 3.62Å; Y302-L304 HydrophobicContact CD1-CD2 4.01Å; Y302-L304 HydrophobicContact CD1-CG 4.23Å; Y302-L304 HydrophobicContact CE1-CD2 3.65Å; Y302-L304 HydrophobicContact CE1-CG 4.37Å; L304-I310 CarbonylContact O-C 2.84Å; L304-I310 WeakPolarHBondContact O-CA 3.45Å; L304-A311 HydrophobicContact CB-CB 4.35Å; L304-A311 PolarHBondContact N-O 2.79Å; L304-A311 PolarHBondContact O-N 3.02Å
305	M	86.8	Confident	83	Confident	2 Å²	2	38 Å²	38	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	114.1	169.6	-165.5	178.7	89.6	0	0	108.3	V283 L284 G309 I310 F328 W399 A402 I403 A406	V283-M305 HydrophobicContact CB-CE 3.67Å; V283-M305 HydrophobicContact CG1-CE 3.48Å; V283-M305 VanDerWaalsContact CG1-CE 3.48Å; V283-M305 PolarHBondContact N-O 2.98Å; L284-M305 HydrophobicContact CB-CB 4.16Å; L284-M305 HydrophobicContact CB-CE 4.32Å; L284-M305 PolarHBondContact N-O 3.5Å; L284-M305 WeakPolarHBondContact O-CB 3.43Å; L284-M305 PolarHBondContact O-N 3.44Å; M305-G309 WeakPolarHBondContact CA-O 3.33Å; M305-I310 HydrophobicContact CG-CG1 4.22Å; M305-F328 HydrophobicContact CG-CE1 4.25Å; M305-F328 HydrophobicContact CG-CZ 3.58Å; M305-F328 HydrophobicContact SD-CE1 4.22Å; M305-F328 HydrophobicContact SD-CZ 3.8Å; M305-W399 HydrophobicContact CB-CH2 4.09Å; M305-W399 HydrophobicContact CB-CZ3 3.8Å; M305-A402 HydrophobicContact CE-CB 3.82Å; M305-A402 HydrophobicContact SD-CB 4.21Å; M305-I403 HydrophobicContact SD-CG1 3.9Å; M305-A406 HydrophobicContact CE-CB 4.49Å
306	D	82.9	Confident	82.4	Confident	23 Å²	23	37 Å²	37	12%	0.123	20%	0.195	C	C	.	.			trans	-99.3	-160.7	165.2	77.6	-4.8	0	0	0	109	S280 A308 G309 F328	S280-D306 WeakPolarHBondContact CB-OD2 3.32Å; S280-D306 PolarHBondContact OG-OD2 2.81Å; D306-A308 WeakPolarHBondContact OD1-CA 3.2Å; D306-A308 PolarHBondContact OD1-N 3.17Å; D306-G309 PolarHBondContact N-O 2.94Å; D306-G309 PolarHBondContact OD1-N 3.16Å; D306-F328 WeakPolarHBondContact O-CE2 3.38Å
307	T	74.6	Confident	81.2	Confident	40 Å²	40	40 Å²	40	25%	0.245	21%	0.209	C	C	.	.	S	Bend	trans	-86.3	-14	-179.3	58.4	0	0	0	0	113.3	P281 V283 H449	P281-T307 HydrophobicContact CG-CG2 4.42Å; V283-T307 HydrophobicContact CG2-CG2 3.72Å; T307-H449 WeakPolarHBondContact CB-CE1 3.47Å; T307-H449 VanDerWaalsContact CB-NE2 3.32Å; T307-H449 WeakPolarHBondContact CB-NE2 3.36Å; T307-H449 PolarHBondContact O-NE2 2.81Å; T307-H449 PolarHBondContact OG1-CE1 3.04Å; T307-H449 PolarHBondContact OG1-ND1 2.83Å; T307-H449 PolarHBondContact OG1-NE2 2.97Å
308	A	74.1	Confident	79.9	Confident	28 Å²	28	41 Å²	41	23%	0.231	22%	0.224	C	C	.	.	S	Bend	trans	-97.4	-28.7	-179.9	0	0	0	0	0	113.1	M277 D306 F325 F328	M277-A308 HydrophobicContact CE-CB 4.34Å; D306-A308 WeakPolarHBondContact OD1-CA 3.2Å; D306-A308 PolarHBondContact OD1-N 3.17Å; A308-F325 HydrophobicContact CB-CZ 4.37Å; A308-F328 VanDerWaalsContact C-CD2 3.43Å; A308-F328 WeakPolarHBondContact O-CD2 3.38Å; A308-F328 PolarHBondContact O-N 2.87Å; A308-F328 VanDerWaalsContact O-N 3.11Å
309	G	86.6	Confident	78.7	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.6	-151.9	177.2	0	0	0	0	0	113.8	M305 D306 I326	M305-G309 WeakPolarHBondContact CA-O 3.33Å; D306-G309 PolarHBondContact N-O 2.94Å; D306-G309 PolarHBondContact OD1-N 3.16Å; G309-I326 WeakPolarHBondContact CA-O 3.38Å
310	I	90.8	Very high	77.5	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	115.1	-175.3	-47.9	173.6	0	0	0	109.2	W303 L304 M305 L312 F325 I326 F328 I331 I353 W399 I403	W303-I310 HydrophobicContact CB-CG2 4.47Å; W303-I310 HydrophobicContact CD2-CG2 4.1Å; W303-I310 HydrophobicContact CE3-CG2 3.45Å; W303-I310 VanDerWaalsContact CE3-CG2 3.45Å; W303-I310 HydrophobicContact CZ3-CD1 4.26Å; W303-I310 HydrophobicContact CZ3-CG2 3.97Å; L304-I310 CarbonylContact O-C 2.84Å; L304-I310 WeakPolarHBondContact O-CA 3.45Å; M305-I310 HydrophobicContact CG-CG1 4.22Å; I310-L312 HydrophobicContact CG2-CD1 4.05Å; I310-F325 CarbonylContact O-C 3.12Å; I310-F325 WeakPolarHBondContact O-CA 3.45Å; I310-F325 WeakPolarHBondContact O-CD2 3.44Å; I310-I326 HydrophobicContact CB-CB 4.33Å; I310-I326 PolarHBondContact N-O 3.04Å; I310-I326 PolarHBondContact O-N 3.4Å; I310-F328 HydrophobicContact CD1-CE1 4.32Å; I310-F328 HydrophobicContact CG1-CE1 3.95Å; I310-I331 HydrophobicContact CD1-CD1 4.32Å; I310-I353 HydrophobicContact CD1-CD1 4.29Å; I310-W399 HydrophobicContact CG2-CZ3 4.39Å; I310-I403 HydrophobicContact CD1-CD1 3.71Å; I310-I403 HydrophobicContact CD1-CG1 3.91Å
311	A	89	Confident	76.6	Confident	16 Å²	16	48.8 Å²	48.8	13%	0.132	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	134.3	173.3	0	0	0	0	0	111	W303 L304 F325	W303-A311 CarbonylContact C-O 3.55Å; W303-A311 WeakPolarHBondContact CA-O 3.21Å; L304-A311 HydrophobicContact CB-CB 4.35Å; L304-A311 PolarHBondContact N-O 2.79Å; L304-A311 PolarHBondContact O-N 3.02Å; A311-F325 HydrophobicContact CB-CD2 3.97Å
312	L	88.9	Confident	76.1	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	124.7	179.9	-71.5	72.8	0	0	0	109	H290 H301 W303 I310 C322 Y323 K324 I326	H290-L312 WeakPolarHBondContact NE2-CD2 3.47Å; H301-L312 HydrophobicContact CB-CB 4.26Å; W303-L312 HydrophobicContact CD2-CD1 4.4Å; W303-L312 HydrophobicContact CD2-CG 4.12Å; W303-L312 HydrophobicContact CG-CG 4.21Å; W303-L312 HydrophobicContact CZ2-CD2 3.77Å; W303-L312 HydrophobicContact CZ2-CG 4.22Å; I310-L312 HydrophobicContact CG2-CD1 4.05Å; L312-C322 CarbonylContact O-C 3.3Å; L312-Y323 HydrophobicContact CB-CD1 4.37Å; L312-Y323 HydrophobicContact CD2-CD1 4.45Å; L312-Y323 WeakPolarHBondContact O-CB 3.3Å; L312-Y323 PolarHBondContact O-N 2.92Å; L312-K324 WeakPolarHBondContact CB-O 3.13Å; L312-K324 WeakPolarHBondContact CD1-O 3.01Å; L312-K324 PolarHBondContact N-O 2.7Å; L312-I326 HydrophobicContact CD1-CD1 3.93Å; L312-I326 HydrophobicContact CD1-CG1 4.11Å
313	H	83	Confident	76.1	Confident	25 Å²	25	54.2 Å²	54.2	12%	0.116	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	155.4	-177.3	-67.9	-101.1	0	0	0	112	H301 Y302 S315 T319	H301-H313 CarbonylContact C-O 3.52Å; H301-H313 WeakPolarHBondContact CA-O 3.45Å; H301-H313 WeakPolarHBondContact CB-O 3.44Å; H301-H313 PolarHBondContact CD2-O 3.1Å; Y302-H313 PolarHBondContact N-O 3.14Å; Y302-H313 PolarHBondContact O-N 2.94Å; H313-S315 VanDerWaalsContact C-N 3.29Å; H313-T319 PolarHBondContact CE1-O 2.97Å; H313-T319 PolarHBondContact ND1-O 3.25Å; H313-T319 VanDerWaalsContact ND1-O 3.11Å
314	H	79.5	Confident	75.9	Confident	114 Å²	114	58.1 Å²	58.1	53%	0.528	32%	0.319	S	S	.	.	S	Bend	trans	-79.8	-11	177	-63.8	89.9	0	0	0	113.3	H301 Y323	H301-H314 AromaticContact NE2-CD2 3.89Å; H301-H314 AromaticContact NE2-NE2 3.82Å; H314-Y323 AromaticContact CE1-CD2 3.79Å; H314-Y323 AromaticContact NE2-CD2 3.87Å
315	S	75.7	Confident	75.9	Confident	36 Å²	36	59.7 Å²	59.7	25%	0.252	33%	0.325	S	S	.	.			trans	-152.6	148.2	-178	174.1	0	0	0	0	109.8	H313 H317	H313-S315 VanDerWaalsContact C-N 3.29Å; S315-H317 PolarHBondContact O-N 3.15Å; S315-H317 PolarHBondContact OG-N 3.46Å
316	S	71.5	Confident	76	Confident	48 Å²	48	59.8 Å²	59.8	34%	0.336	33%	0.325	S	S	.	.	S	Bend	trans	-64.9	-25.6	172.2	48.2	0	0	0	0	113.2	G318	S316-G318 PolarHBondContact O-N 3.38Å
317	H	56.4	Low	76.1	Confident	157 Å²	157	60.2 Å²	60.2	73%	0.727	33%	0.329	S	S	*	.	S	Bend	trans	-85.4	71.3	-175.4	-65.1	-70.5	0	0	0	112.7	S315 T319	S315-H317 PolarHBondContact O-N 3.15Å; S315-H317 PolarHBondContact OG-N 3.46Å; H317-T319 WeakPolarHBondContact O-CG2 3.31Å; H317-T319 PolarHBondContact O-N 3.45Å
318	G	52.2	Low	76.6	Confident	77 Å²	77	58.5 Å²	58.5	79%	0.794	32%	0.318	S	S	*	.			trans	53	24	156.6	0	0	0	0	0	117.4	S316	S316-G318 PolarHBondContact O-N 3.38Å
319	T	53.8	Low	76.7	Confident	44 Å²	44	58.6 Å²	58.6	27%	0.27	32%	0.317	S	S	.	.			trans	-67.8	133.1	-172.1	57.8	0	0	0	0	111.5	H313 H317 R321	H313-T319 PolarHBondContact CE1-O 2.97Å; H313-T319 PolarHBondContact ND1-O 3.25Å; H313-T319 VanDerWaalsContact ND1-O 3.11Å; H317-T319 WeakPolarHBondContact O-CG2 3.31Å; H317-T319 PolarHBondContact O-N 3.45Å; T319-R321 PolarHBondContact O-N 3.29Å; T319-R321 VanDerWaalsContact O-N 3.13Å
320	P	55.5	Low	76.6	Confident	130 Å²	130	61.7 Å²	61.7	84%	0.844	33%	0.334	S	S	*	.	S	Bend	trans	-69.4	-11.7	-177.1	27.6	-35.4	0	0	0	113.7	C322	P320-C322 PolarHBondContact O-N 3.18Å
321	R	61.5	Low	76.4	Confident	208 Å²	208	61.7 Å²	61.7	79%	0.785	33%	0.334	S	S	*	.			trans	-87.3	85.9	173.2	-82.2	-176.3	168.8	167.7	-3.3	110.9	T319 Y323	T319-R321 PolarHBondContact O-N 3.29Å; T319-R321 VanDerWaalsContact O-N 3.13Å; R321-Y323 PolarHBondContact O-N 3.21Å
322	C	75.5	Confident	75.9	Confident	55 Å²	55	67.5 Å²	67.5	37%	0.372	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	126.9	156.7	-175.9	0	0	0	0	109	L312 P320 K324	L312-C322 CarbonylContact O-C 3.3Å; P320-C322 PolarHBondContact O-N 3.18Å; C322-K324 PolarHBondContact SG-O 3.39Å
323	Y	82.3	Confident	75.6	Confident	97 Å²	97	71 Å²	71	38%	0.38	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	-47.3	172.9	170.7	-107.1	0	0	0	110.9	K299 H301 L312 H314 R321	K299-Y323 PolarHBondContact NZ-OH 3.35Å; H301-Y323 AromaticContact CD2-CG 3.88Å; H301-Y323 AromaticContact CE1-CD1 3.66Å; H301-Y323 AromaticContact CE1-CE1 3.83Å; H301-Y323 AromaticContact CE1-CG 3.91Å; H301-Y323 AromaticContact NE2-CD1 3.45Å; H301-Y323 WeakPolarHBondContact NE2-CD1 3.34Å; H301-Y323 AromaticContact NE2-CD2 3.67Å; H301-Y323 AromaticContact NE2-CG 3.25Å; H301-Y323 VanDerWaalsContact NE2-CG 3.25Å; L312-Y323 HydrophobicContact CB-CD1 4.37Å; L312-Y323 HydrophobicContact CD2-CD1 4.45Å; L312-Y323 WeakPolarHBondContact O-CB 3.3Å; L312-Y323 PolarHBondContact O-N 2.92Å; H314-Y323 AromaticContact CE1-CD2 3.79Å; H314-Y323 AromaticContact NE2-CD2 3.87Å; R321-Y323 PolarHBondContact O-N 3.21Å
324	K	85.9	Confident	76	Confident	82 Å²	82	70.2 Å²	70.2	36%	0.357	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	140	176.1	-173.6	155.2	-175.1	171	0	109.8	L312 C322 F360	L312-K324 WeakPolarHBondContact CB-O 3.13Å; L312-K324 WeakPolarHBondContact CD1-O 3.01Å; L312-K324 PolarHBondContact N-O 2.7Å; C322-K324 PolarHBondContact SG-O 3.39Å; K324-F360 HydrophobicContact CD-CE1 4.44Å; K324-F360 HydrophobicContact CD-CZ 4.02Å
325	F	87.8	Confident	76.4	Confident	72 Å²	72	71.3 Å²	71.3	32%	0.316	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	139.8	165.1	-174.9	-114.2	0	0	0	108.7	M277 A308 I310 A311 P327	M277-F325 HydrophobicContact CE-CE1 4.33Å; M277-F325 HydrophobicContact CE-CZ 4.14Å; A308-F325 HydrophobicContact CB-CZ 4.37Å; I310-F325 CarbonylContact O-C 3.12Å; I310-F325 WeakPolarHBondContact O-CA 3.45Å; I310-F325 WeakPolarHBondContact O-CD2 3.44Å; A311-F325 HydrophobicContact CB-CD2 3.97Å; F325-P327 HydrophobicContact CD1-CG 3.82Å; F325-P327 HydrophobicContact CE1-CB 4.08Å; F325-P327 HydrophobicContact CE1-CG 3.84Å
326	I	88.5	Confident	77	Confident	4 Å²	4	74 Å²	74	2%	0.021	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	97.7	173.2	-52.9	173.9	0	0	0	106	G309 I310 L312 I331 T355 F360	G309-I326 WeakPolarHBondContact CA-O 3.38Å; I310-I326 HydrophobicContact CB-CB 4.33Å; I310-I326 PolarHBondContact N-O 3.04Å; I310-I326 PolarHBondContact O-N 3.4Å; L312-I326 HydrophobicContact CD1-CD1 3.93Å; L312-I326 HydrophobicContact CD1-CG1 4.11Å; I326-I331 HydrophobicContact CG2-CD1 4.05Å; I326-I331 HydrophobicContact CG2-CG1 3.86Å; I326-T355 HydrophobicContact CG2-CG2 4.01Å; I326-F360 HydrophobicContact CD1-CD1 4.18Å; I326-F360 HydrophobicContact CD1-CD2 4.1Å; I326-F360 HydrophobicContact CD1-CE1 3.84Å; I326-F360 HydrophobicContact CD1-CE2 3.76Å; I326-F360 HydrophobicContact CD1-CG 4.29Å; I326-F360 HydrophobicContact CD1-CZ 3.61Å; I326-F360 HydrophobicContact CG1-CE2 4.22Å; I326-F360 HydrophobicContact CG1-CZ 3.97Å
327	P	85.3	Confident	77.7	Confident	32 Å²	32	74.2 Å²	74.2	21%	0.208	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	139.7	172.2	-19.6	30.9	0	0	0	109.8	F325 S329 D330	F325-P327 HydrophobicContact CD1-CG 3.82Å; F325-P327 HydrophobicContact CE1-CB 4.08Å; F325-P327 HydrophobicContact CE1-CG 3.84Å; P327-S329 WeakPolarHBondContact CB-OG 3.37Å; P327-S329 PolarHBondContact O-N 2.91Å; P327-D330 WeakPolarHBondContact CD-OD2 3.34Å; P327-D330 WeakPolarHBondContact CG-OD2 3.34Å; P327-D330 PolarHBondContact O-N 3.39Å
328	F	84.3	Confident	78.9	Confident	3 Å²	3	71.5 Å²	71.5	1%	0.013	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-60.1	-31.3	174.3	-73.5	-48	0	0	0	111.8	M305 D306 A308 I310 D330 I331 I403 A406 L407 Q445	M305-F328 HydrophobicContact CG-CE1 4.25Å; M305-F328 HydrophobicContact CG-CZ 3.58Å; M305-F328 HydrophobicContact SD-CE1 4.22Å; M305-F328 HydrophobicContact SD-CZ 3.8Å; D306-F328 WeakPolarHBondContact O-CE2 3.38Å; A308-F328 VanDerWaalsContact C-CD2 3.43Å; A308-F328 WeakPolarHBondContact O-CD2 3.38Å; A308-F328 PolarHBondContact O-N 2.87Å; A308-F328 VanDerWaalsContact O-N 3.11Å; I310-F328 HydrophobicContact CD1-CE1 4.32Å; I310-F328 HydrophobicContact CG1-CE1 3.95Å; F328-D330 PolarHBondContact O-N 3.2Å; F328-I331 HydrophobicContact CD1-CD1 3.98Å; F328-I331 PolarHBondContact O-N 3.47Å; F328-I403 HydrophobicContact CE1-CG2 4.33Å; F328-A406 HydrophobicContact CD1-CB 4.5Å; F328-A406 HydrophobicContact CD2-CB 4.34Å; F328-A406 HydrophobicContact CE1-CB 3.9Å; F328-A406 HydrophobicContact CE2-CB 3.71Å; F328-A406 HydrophobicContact CZ-CB 3.45Å; F328-A406 VanDerWaalsContact CZ-CB 3.45Å; F328-L407 HydrophobicContact CB-CD2 4.06Å; F328-L407 HydrophobicContact CD1-CD2 4.24Å; F328-L407 HydrophobicContact CG-CD2 4.47Å; F328-Q445 PolarHBondContact O-OE1 3.09Å
329	S	76.8	Confident	80.3	Confident	31 Å²	31	68.7 Å²	68.7	22%	0.217	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-59.9	-24.7	175.7	58	0	0	0	0	114.3	P327	P327-S329 WeakPolarHBondContact CB-OG 3.37Å; P327-S329 PolarHBondContact O-N 2.91Å
330	D	84.7	Confident	81.7	Confident	64 Å²	64	70.2 Å²	70.2	34%	0.342	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-84.4	-16.6	177	-77.7	-20.6	0	0	0	113	P327 F328 R332 T355 N356	P327-D330 WeakPolarHBondContact CD-OD2 3.34Å; P327-D330 WeakPolarHBondContact CG-OD2 3.34Å; P327-D330 PolarHBondContact O-N 3.39Å; F328-D330 PolarHBondContact O-N 3.2Å; D330-R332 PolarHBondContact O-N 3.08Å; D330-T355 CarbonylContact O-C 3.58Å; D330-T355 WeakPolarHBondContact O-CA 3.44Å; D330-T355 WeakPolarHBondContact O-CB 3.47Å; D330-N356 PolarHBondContact O-N 2.73Å; D330-N356 PolarHBondContact OD1-ND2 3.13Å
331	I	86.5	Confident	83	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	115.5	179.9	-52.4	180	0	0	0	108.8	I310 I326 F328 I334 I353 T355 I403 L407 R466	I310-I331 HydrophobicContact CD1-CD1 4.32Å; I326-I331 HydrophobicContact CG2-CD1 4.05Å; I326-I331 HydrophobicContact CG2-CG1 3.86Å; F328-I331 HydrophobicContact CD1-CD1 3.98Å; F328-I331 PolarHBondContact O-N 3.47Å; I331-I334 HydrophobicContact CG2-CG2 3.88Å; I331-I353 HydrophobicContact CB-CG2 4.37Å; I331-I353 HydrophobicContact CD1-CG2 3.75Å; I331-I353 HydrophobicContact CG1-CG2 3.83Å; I331-I353 HydrophobicContact CG2-CG2 3.7Å; I331-T355 HydrophobicContact CG1-CG2 4.4Å; I331-I403 HydrophobicContact CD1-CG2 4.21Å; I331-L407 HydrophobicContact CB-CD1 4.3Å; I331-L407 HydrophobicContact CB-CD2 4.09Å; I331-L407 HydrophobicContact CG2-CD1 3.75Å; I331-L407 HydrophobicContact CG2-CD2 4.44Å; I331-R466 PolarHBondContact O-NH1 2.88Å
332	R	78.5	Confident	84.1	Confident	138 Å²	138	58.5 Å²	58.5	52%	0.521	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	-39.6	175.4	-66.3	-174.1	174.6	-160.1	-5.5	112	D330 L354 N356	D330-R332 PolarHBondContact O-N 3.08Å; R332-L354 PolarHBondContact N-O 2.81Å; R332-N356 VanDerWaalsContact CZ-OD1 3.26Å; R332-N356 PolarHBondContact NE-OD1 2.86Å; R332-N356 PolarHBondContact NH2-OD1 2.82Å
333	N	83.2	Confident	84.1	Confident	73 Å²	73	57.3 Å²	57.3	39%	0.39	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	158.8	-176.3	-156.6	-15.3	0	0	0	110.4	L354	N333-L354 PolarHBondContact N-O 3.32Å; N333-L354 PolarHBondContact O-N 2.99Å
334	I	89.8	Confident	83.7	Confident	10 Å²	10	57.9 Å²	57.9	5%	0.051	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	142.5	168	58.4	173.1	0	0	0	109.2	I331 E352 I353 F400 I403 H404 L407	I331-I334 HydrophobicContact CG2-CG2 3.88Å; I334-E352 CarbonylContact C-O 3.52Å; I334-E352 WeakPolarHBondContact CA-O 3.48Å; I334-I353 HydrophobicContact CG2-CB 4.38Å; I334-I353 HydrophobicContact CG2-CG1 4.15Å; I334-I353 HydrophobicContact CG2-CG2 4.17Å; I334-F400 HydrophobicContact CB-CD2 4.3Å; I334-F400 HydrophobicContact CB-CE2 3.88Å; I334-F400 HydrophobicContact CD1-CD2 3.86Å; I334-F400 HydrophobicContact CD1-CE2 3.7Å; I334-F400 HydrophobicContact CD1-CG 4.35Å; I334-F400 HydrophobicContact CD1-CZ 4.06Å; I334-F400 WeakPolarHBondContact CD1-O 3.35Å; I334-F400 HydrophobicContact CG1-CD2 4.17Å; I334-F400 HydrophobicContact CG1-CE2 3.58Å; I334-F400 HydrophobicContact CG1-CZ 4.01Å; I334-I403 HydrophobicContact CD1-CB 4.12Å; I334-I403 HydrophobicContact CD1-CG2 4.05Å; I334-I403 HydrophobicContact CG2-CG2 3.99Å; I334-H404 HydrophobicContact CD1-CB 3.78Å; I334-L407 HydrophobicContact CG2-CD1 4.18Å
335	R	88.5	Confident	83	Confident	136 Å²	136	60.3 Å²	60.3	51%	0.513	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	131.1	-178.3	-65	179.6	177	177.7	-4.3	111.2	F351 E352 L354	R335-F351 CarbonylContact O-C 3.34Å; R335-F351 WeakPolarHBondContact O-CA 3.46Å; R335-F351 VanDerWaalsContact O-CB 3.25Å; R335-F351 WeakPolarHBondContact O-CB 3.32Å; R335-E352 PolarHBondContact N-O 2.91Å; R335-E352 PolarHBondContact O-N 3.44Å; R335-L354 HydrophobicContact CG-CD1 4.26Å
336	L	88.5	Confident	82.4	Confident	94 Å²	94	57 Å²	57	49%	0.492	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	141.7	165.6	-72.4	169.2	0	0	0	109.2	F351 F400	L336-F351 HydrophobicContact CD2-CB 4.35Å; L336-F400 HydrophobicContact CD1-CD1 4.27Å; L336-F400 HydrophobicContact CD1-CE1 4.13Å; L336-F400 HydrophobicContact CD1-CZ 4.48Å; L336-F400 HydrophobicContact CD2-CB 4.1Å; L336-F400 HydrophobicContact CD2-CD1 4Å; L336-F400 HydrophobicContact CD2-CD2 3.94Å; L336-F400 HydrophobicContact CD2-CE1 4.47Å; L336-F400 HydrophobicContact CD2-CE2 4.4Å; L336-F400 HydrophobicContact CD2-CG 3.72Å; L336-F400 HydrophobicContact CG-CD1 3.96Å; L336-F400 HydrophobicContact CG-CD2 4Å; L336-F400 HydrophobicContact CG-CE1 3.92Å; L336-F400 HydrophobicContact CG-CE2 3.95Å; L336-F400 HydrophobicContact CG-CG 4.01Å; L336-F400 HydrophobicContact CG-CZ 3.92Å
337	Y	86.8	Confident	81.8	Confident	52 Å²	52	56.9 Å²	56.9	20%	0.204	31%	0.307	C	S	.	.			trans	-121.7	132.5	178.8	-171	-94.6	0	0	0	110.5	G339 P340 P348 H349 C350 E352	Y337-G339 VanDerWaalsContact CE1-C 3.43Å; Y337-G339 VanDerWaalsContact CE1-CA 3.5Å; Y337-G339 VanDerWaalsContact CE1-N 3.31Å; Y337-G339 WeakPolarHBondContact CE1-O 3.28Å; Y337-P340 WeakPolarHBondContact CE1-O 3.19Å; Y337-P340 PolarHBondContact OH-O 3.18Å; Y337-P348 HydrophobicContact CE1-CB 4.37Å; Y337-H349 WeakPolarHBondContact CB-NE2 3.32Å; Y337-H349 AromaticContact CD1-CD2 4Å; Y337-H349 AromaticContact CD1-CE1 3.26Å; Y337-H349 WeakPolarHBondContact CD1-CE1 3.04Å; Y337-H349 AromaticContact CD1-ND1 3.69Å; Y337-H349 AromaticContact CD1-NE2 3.49Å; Y337-H349 WeakPolarHBondContact CD1-NE2 3.35Å; Y337-H349 AromaticContact CD2-CE1 3.65Å; Y337-H349 AromaticContact CD2-NE2 3.39Å; Y337-H349 WeakPolarHBondContact CD2-NE2 3.38Å; Y337-H349 AromaticContact CE1-CE1 3.35Å; Y337-H349 WeakPolarHBondContact CE1-CE1 3.29Å; Y337-H349 AromaticContact CE1-ND1 3.84Å; Y337-H349 AromaticContact CE1-NE2 4Å; Y337-H349 AromaticContact CE2-CE1 3.75Å; Y337-H349 AromaticContact CE2-NE2 3.93Å; Y337-H349 AromaticContact CG-CD2 3.79Å; Y337-H349 AromaticContact CG-CE1 3.41Å; Y337-H349 VanDerWaalsContact CG-CE1 3.41Å; Y337-H349 AromaticContact CG-NE2 3.14Å; Y337-H349 AromaticContact CZ-CE1 3.6Å; Y337-C350 PolarHBondContact N-O 2.64Å; Y337-E352 WeakPolarHBondContact CD2-OE1 3.17Å
338	S	81.6	Confident	81.8	Confident	100 Å²	100	55.3 Å²	55.3	70%	0.699	30%	0.297	S	S	*	.			trans	-139.1	23.3	179.2	66	0	0	0	0	112.2
339	G	81.7	Confident	82	Confident	18 Å²	18	55.2 Å²	55.2	19%	0.186	30%	0.297	C	S	.	.	S	Bend	trans	-91.3	-174.3	177.5	0	0	0	0	0	113.3	Y337	Y337-G339 VanDerWaalsContact CE1-C 3.43Å; Y337-G339 VanDerWaalsContact CE1-CA 3.5Å; Y337-G339 VanDerWaalsContact CE1-N 3.31Å; Y337-G339 WeakPolarHBondContact CE1-O 3.28Å
340	P	82.8	Confident	82.5	Confident	75 Å²	75	53.8 Å²	53.8	49%	0.487	29%	0.287	S	S	.	.	S	Bend	trans	-67.7	169.4	177.1	30.5	-36.8	0	0	0	112.4	Y337 I342 W368	Y337-P340 WeakPolarHBondContact CE1-O 3.19Å; Y337-P340 PolarHBondContact OH-O 3.18Å; P340-I342 PolarHBondContact O-N 3.09Å; P340-W368 HydrophobicContact CB-CZ2 4.09Å
341	P	82.4	Confident	82.9	Confident	29 Å²	29	50.7 Å²	50.7	19%	0.188	27%	0.27	C	S	.	.			trans	-60.6	131.5	176.6	-19.2	30	0	0	0	112.9	N343 G346 P348 W368	P341-N343 VanDerWaalsContact C-N 3.25Å; P341-N343 VanDerWaalsContact CB-O 3.25Å; P341-N343 WeakPolarHBondContact CB-O 3.18Å; P341-N343 PolarHBondContact O-N 2.63Å; P341-G346 WeakPolarHBondContact CB-O 3.19Å; P341-P348 HydrophobicContact CG-CG 3.89Å; P341-W368 HydrophobicContact CG-CE3 4.28Å; P341-W368 HydrophobicContact CG-CH2 4.33Å; P341-W368 HydrophobicContact CG-CZ3 3.95Å
342	I	84.1	Confident	83.2	Confident	63 Å²	63	52.1 Å²	52.1	32%	0.323	28%	0.277	S	S	.	.	S	Bend	trans	-65.6	-31.8	170.1	-71.3	-179	0	0	0	111.4	P340 H349 Y361	P340-I342 PolarHBondContact O-N 3.09Å; I342-H349 WeakPolarHBondContact CD1-CE1 3.44Å; I342-Y361 HydrophobicContact CD1-CD1 3.66Å; I342-Y361 HydrophobicContact CD1-CE1 3.28Å; I342-Y361 HydrophobicContact CD1-CE2 4.4Å; I342-Y361 HydrophobicContact CD1-CG 4.38Å
343	N	76	Confident	83.9	Confident	30 Å²	30	45.5 Å²	45.5	16%	0.16	25%	0.252	C	S	.	.	S	Bend	trans	-119.3	123.6	171.9	-178.8	-33.6	0	0	0	108.2	Q296 P341 D345 G346	Q296-N343 PolarHBondContact OE1-ND2 3.24Å; P341-N343 VanDerWaalsContact C-N 3.25Å; P341-N343 VanDerWaalsContact CB-O 3.25Å; P341-N343 WeakPolarHBondContact CB-O 3.18Å; P341-N343 PolarHBondContact O-N 2.63Å; N343-D345 PolarHBondContact O-N 2.77Å; N343-D345 VanDerWaalsContact OD1-CB 3.27Å; N343-D345 WeakPolarHBondContact OD1-CB 3.46Å; N343-D345 PolarHBondContact OD1-N 3.41Å; N343-D345 PolarHBondContact OD1-OD2 3.16Å; N343-G346 PolarHBondContact O-N 2.99Å
344	P	73.6	Confident	84.3	Confident	109 Å²	109	43.7 Å²	43.7	71%	0.708	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-26.9	178.4	-25.5	34.9	0	0	0	115.3	G346	P344-G346 PolarHBondContact O-N 3.29Å
345	D	72.7	Confident	84.2	Confident	133 Å²	133	44.3 Å²	44.3	71%	0.711	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.1	3.3	-175.6	-57	-35.8	0	0	0	113.6	N343	N343-D345 PolarHBondContact O-N 2.77Å; N343-D345 VanDerWaalsContact OD1-CB 3.27Å; N343-D345 WeakPolarHBondContact OD1-CB 3.46Å; N343-D345 PolarHBondContact OD1-N 3.41Å; N343-D345 PolarHBondContact OD1-OD2 3.16Å
346	G	74.3	Confident	83.6	Confident	3 Å²	3	40.7 Å²	40.7	3%	0.031	24%	0.237	C	C	.	.	S	Bend	trans	-156.8	174	179.8	0	0	0	0	0	114.5	P341 N343 P344 Y369	P341-G346 WeakPolarHBondContact CB-O 3.19Å; N343-G346 PolarHBondContact O-N 2.99Å; P344-G346 PolarHBondContact O-N 3.29Å; G346-Y369 PolarHBondContact O-OH 3.3Å
347	P	76.6	Confident	83.3	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.006	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-69.6	157.9	-179.9	27.9	-34.1	0	0	0	112.5	R298 E364 L366 Y369	R298-P347 VanDerWaalsContact CZ-O 3.25Å; R298-P347 PolarHBondContact NH1-O 3.45Å; R298-P347 VanDerWaalsContact NH1-O 3.16Å; R298-P347 PolarHBondContact NH2-O 3.26Å; P347-E364 HydrophobicContact CB-CB 4.44Å; P347-E364 HydrophobicContact CG-CB 3.86Å; P347-E364 HydrophobicContact CG-CG 4.04Å; P347-E364 WeakPolarHBondContact CG-OE1 3.14Å; P347-L366 HydrophobicContact CB-CD2 3.64Å; P347-L366 HydrophobicContact CG-CD2 3.83Å; P347-Y369 HydrophobicContact CB-CE2 3.92Å
348	P	85.1	Confident	83.4	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-59.3	155.9	172.3	-12.3	25	0	0	0	111.6	Y337 P341 E364 N365 W368	Y337-P348 HydrophobicContact CE1-CB 4.37Å; P341-P348 HydrophobicContact CG-CG 3.89Å; P348-E364 CarbonylContact O-C 3.57Å; P348-E364 WeakPolarHBondContact O-CA 3.37Å; P348-N365 HydrophobicContact CB-CB 4.31Å; P348-N365 PolarHBondContact O-N 3.02Å; P348-W368 HydrophobicContact CG-CB 3.73Å; P348-W368 HydrophobicContact CG-CD2 3.77Å; P348-W368 HydrophobicContact CG-CE3 3.94Å; P348-W368 HydrophobicContact CG-CG 3.68Å
349	H	88.8	Confident	83.9	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-78.3	168.5	167.3	57	-64.7	0	0	0	111	F291 Y337 I342 E352 Y361 G363	F291-H349 HydrophobicContact CE1-CB 4.24Å; F291-H349 HydrophobicContact CZ-CB 4.4Å; Y337-H349 WeakPolarHBondContact CB-NE2 3.32Å; Y337-H349 AromaticContact CD1-CD2 4Å; Y337-H349 AromaticContact CD1-CE1 3.26Å; Y337-H349 WeakPolarHBondContact CD1-CE1 3.04Å; Y337-H349 AromaticContact CD1-ND1 3.69Å; Y337-H349 AromaticContact CD1-NE2 3.49Å; Y337-H349 WeakPolarHBondContact CD1-NE2 3.35Å; Y337-H349 AromaticContact CD2-CE1 3.65Å; Y337-H349 AromaticContact CD2-NE2 3.39Å; Y337-H349 WeakPolarHBondContact CD2-NE2 3.38Å; Y337-H349 AromaticContact CE1-CE1 3.35Å; Y337-H349 WeakPolarHBondContact CE1-CE1 3.29Å; Y337-H349 AromaticContact CE1-ND1 3.84Å; Y337-H349 AromaticContact CE1-NE2 4Å; Y337-H349 AromaticContact CE2-CE1 3.75Å; Y337-H349 AromaticContact CE2-NE2 3.93Å; Y337-H349 AromaticContact CG-CD2 3.79Å; Y337-H349 AromaticContact CG-CE1 3.41Å; Y337-H349 VanDerWaalsContact CG-CE1 3.41Å; Y337-H349 AromaticContact CG-NE2 3.14Å; Y337-H349 AromaticContact CZ-CE1 3.6Å; I342-H349 WeakPolarHBondContact CD1-CE1 3.44Å; H349-E352 IonicContact CD2-OE1 3.92Å; H349-E352 IonicContact CE1-OE1 3.82Å; H349-E352 WeakPolarHBondContact NE2-CG 3.25Å; H349-E352 IonicContact NE2-OE1 3.42Å; H349-E352 PolarHBondContact NE2-OE1 3.14Å; H349-Y361 AromaticContact CD2-CD1 3.7Å; H349-Y361 AromaticContact CE1-CD1 3.86Å; H349-Y361 AromaticContact NE2-CD1 3.5Å; H349-Y361 WeakPolarHBondContact NE2-CD1 3.41Å; H349-G363 WeakPolarHBondContact CA-O 3.46Å
350	C	87.6	Confident	84.4	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.007	22%	0.215	C	C	.	.	S	Bend	trans	-101	-31.8	-179.2	-58.5	0	0	0	0	113.1	Y337 V362 M393 A396	Y337-C350 PolarHBondContact N-O 2.64Å; C350-V362 PolarHBondContact N-O 2.89Å; C350-M393 HydrophobicContact CB-SD 4.35Å; C350-A396 HydrophobicContact CB-CB 3.26Å
351	F	91.6	Very high	84.8	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	165	176.8	70.7	-83.2	0	0	0	112.4	R335 L336 I353 V362 A396 W399 F400 I403	R335-F351 CarbonylContact O-C 3.34Å; R335-F351 WeakPolarHBondContact O-CA 3.46Å; R335-F351 VanDerWaalsContact O-CB 3.25Å; R335-F351 WeakPolarHBondContact O-CB 3.32Å; L336-F351 HydrophobicContact CD2-CB 4.35Å; F351-I353 HydrophobicContact CD2-CG1 4.16Å; F351-I353 HydrophobicContact CE2-CD1 4.01Å; F351-I353 HydrophobicContact CE2-CG1 3.81Å; F351-V362 HydrophobicContact CD1-CB 4.11Å; F351-V362 HydrophobicContact CD1-CG1 4.44Å; F351-V362 HydrophobicContact CD2-CB 4.31Å; F351-V362 HydrophobicContact CE1-CB 3.73Å; F351-V362 HydrophobicContact CE1-CG1 3.61Å; F351-V362 HydrophobicContact CE2-CB 3.95Å; F351-V362 HydrophobicContact CE2-CG1 4.23Å; F351-V362 HydrophobicContact CE2-CG2 4.11Å; F351-V362 HydrophobicContact CG-CB 4.39Å; F351-V362 HydrophobicContact CZ-CB 3.65Å; F351-V362 HydrophobicContact CZ-CG1 3.49Å; F351-V362 VanDerWaalsContact CZ-CG1 3.49Å; F351-V362 HydrophobicContact CZ-CG2 4.2Å; F351-V362 PolarHBondContact N-O 3.31Å; F351-V362 PolarHBondContact O-N 2.84Å; F351-A396 HydrophobicContact CD1-CB 4.02Å; F351-A396 HydrophobicContact CE1-CB 4.16Å; F351-W399 HydrophobicContact CE1-CB 4.2Å; F351-W399 HydrophobicContact CZ-CB 3.97Å; F351-F400 HydrophobicContact CB-CD2 3.96Å; F351-F400 HydrophobicContact CD2-CD2 4.13Å; F351-F400 HydrophobicContact CG-CB 4.4Å; F351-F400 HydrophobicContact CG-CD2 4.19Å; F351-I403 HydrophobicContact CE2-CD1 4.04Å; F351-I403 HydrophobicContact CZ-CD1 4.35Å
352	E	93.3	Very high	85.1	Confident	29 Å²	29	35.5 Å²	35.5	14%	0.136	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	138.8	-176.8	-62.6	178.4	-179.2	0	0	110.4	I334 R335 Y337 H349 L354 I359 F360 Y361	I334-E352 CarbonylContact C-O 3.52Å; I334-E352 WeakPolarHBondContact CA-O 3.48Å; R335-E352 PolarHBondContact N-O 2.91Å; R335-E352 PolarHBondContact O-N 3.44Å; Y337-E352 WeakPolarHBondContact CD2-OE1 3.17Å; H349-E352 IonicContact CD2-OE1 3.92Å; H349-E352 IonicContact CE1-OE1 3.82Å; H349-E352 WeakPolarHBondContact NE2-CG 3.25Å; H349-E352 IonicContact NE2-OE1 3.42Å; H349-E352 PolarHBondContact NE2-OE1 3.14Å; E352-L354 HydrophobicContact CB-CD1 3.92Å; E352-I359 HydrophobicContact CB-CG2 4.39Å; E352-F360 CarbonylContact C-O 3.57Å; E352-F360 VanDerWaalsContact CA-O 3.32Å; E352-F360 WeakPolarHBondContact CA-O 3.26Å; E352-Y361 HydrophobicContact CG-CD1 3.88Å; E352-Y361 HydrophobicContact CG-CE1 4.15Å
353	I	93	Very high	85.1	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	111.5	167.6	-52.1	176.5	0	0	0	107.7	W303 I310 I331 I334 F351 T355 I359 F360 V362 I403	W303-I353 HydrophobicContact CH2-CD1 4.01Å; W303-I353 HydrophobicContact CZ3-CD1 3.83Å; I310-I353 HydrophobicContact CD1-CD1 4.29Å; I331-I353 HydrophobicContact CB-CG2 4.37Å; I331-I353 HydrophobicContact CD1-CG2 3.75Å; I331-I353 HydrophobicContact CG1-CG2 3.83Å; I331-I353 HydrophobicContact CG2-CG2 3.7Å; I334-I353 HydrophobicContact CG2-CB 4.38Å; I334-I353 HydrophobicContact CG2-CG1 4.15Å; I334-I353 HydrophobicContact CG2-CG2 4.17Å; F351-I353 HydrophobicContact CD2-CG1 4.16Å; F351-I353 HydrophobicContact CE2-CD1 4.01Å; F351-I353 HydrophobicContact CE2-CG1 3.81Å; I353-T355 HydrophobicContact CG2-CG2 4.26Å; I353-I359 WeakPolarHBondContact O-CA 3.3Å; I353-F360 HydrophobicContact CB-CB 4.25Å; I353-F360 PolarHBondContact N-O 3.41Å; I353-F360 PolarHBondContact O-N 3.47Å; I353-V362 HydrophobicContact CD1-CG2 4.16Å; I353-V362 HydrophobicContact CG1-CG2 4.27Å; I353-I403 HydrophobicContact CD1-CD1 3.93Å
354	L	91.6	Very high	85.3	Confident	35 Å²	35	32.6 Å²	32.6	18%	0.183	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	106.5	-179.4	-66.3	82.2	0	0	0	108.5	R332 N333 R335 E352 I359	R332-L354 PolarHBondContact N-O 2.81Å; N333-L354 PolarHBondContact N-O 3.32Å; N333-L354 PolarHBondContact O-N 2.99Å; R335-L354 HydrophobicContact CG-CD1 4.26Å; E352-L354 HydrophobicContact CB-CD1 3.92Å; L354-I359 HydrophobicContact CG-CG1 4.48Å
355	T	88.2	Confident	85.5	Confident	22 Å²	22	27.9 Å²	27.9	14%	0.135	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	173.7	174.2	71.3	0	0	0	0	111.8	I326 D330 I331 I353 Q357 V358 F360	I326-T355 HydrophobicContact CG2-CG2 4.01Å; D330-T355 CarbonylContact O-C 3.58Å; D330-T355 WeakPolarHBondContact O-CA 3.44Å; D330-T355 WeakPolarHBondContact O-CB 3.47Å; I331-T355 HydrophobicContact CG1-CG2 4.4Å; I353-T355 HydrophobicContact CG2-CG2 4.26Å; T355-Q357 PolarHBondContact O-N 3.19Å; T355-Q357 VanDerWaalsContact O-N 3.07Å; T355-Q357 PolarHBondContact OG1-N 2.64Å; T355-V358 WeakPolarHBondContact CB-O 3.27Å; T355-V358 PolarHBondContact N-O 2.96Å; T355-V358 PolarHBondContact OG1-N 2.8Å; T355-V358 PolarHBondContact OG1-O 3.4Å; T355-F360 HydrophobicContact CG2-CD2 4.12Å; T355-F360 HydrophobicContact CG2-CE2 3.91Å
356	N	75.8	Confident	85.5	Confident	61 Å²	61	24.7 Å²	24.7	33%	0.326	13%	0.126	S	C	.	.	S	Bend	trans	-50.2	-28.5	173.1	-76.6	-39.7	0	0	0	114.8	D330 R332	D330-N356 PolarHBondContact O-N 2.73Å; D330-N356 PolarHBondContact OD1-ND2 3.13Å; R332-N356 VanDerWaalsContact CZ-OD1 3.26Å; R332-N356 PolarHBondContact NE-OD1 2.86Å; R332-N356 PolarHBondContact NH2-OD1 2.82Å
357	Q	82.2	Confident	85.2	Confident	160 Å²	160	28.1 Å²	28.1	75%	0.748	14%	0.142	S	C	*	.	S	Bend	trans	-129.3	-29.1	-171.2	-65.8	174.4	-5.5	0	0	114.1	F294 T355	F294-Q357 VanDerWaalsContact CE2-O 3.3Å; F294-Q357 WeakPolarHBondContact CE2-O 3.28Å; T355-Q357 PolarHBondContact O-N 3.19Å; T355-Q357 VanDerWaalsContact O-N 3.07Å; T355-Q357 PolarHBondContact OG1-N 2.64Å
358	V	88.6	Confident	85	Confident	16 Å²	16	30.1 Å²	30.1	10%	0.097	15%	0.149	C	C	.	.			trans	-136.2	135.8	-167.3	-178.4	0	0	0	0	110.6	T292 F294 T355 F360	T292-V358 HydrophobicContact CG2-CG1 3.65Å; F294-V358 HydrophobicContact CD2-CG1 4.41Å; F294-V358 HydrophobicContact CD2-CG2 4.21Å; F294-V358 HydrophobicContact CE2-CG2 4.02Å; T355-V358 WeakPolarHBondContact CB-O 3.27Å; T355-V358 PolarHBondContact N-O 2.96Å; T355-V358 PolarHBondContact OG1-N 2.8Å; T355-V358 PolarHBondContact OG1-O 3.4Å; V358-F360 HydrophobicContact CB-CE2 4.04Å; V358-F360 HydrophobicContact CG1-CD2 4.1Å; V358-F360 HydrophobicContact CG1-CE2 3.87Å; V358-F360 HydrophobicContact CG1-CZ 4.18Å
359	I	91.3	Very high	84.1	Confident	49 Å²	49	31.4 Å²	31.4	25%	0.251	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	124.5	165.9	-54.2	176.2	0	0	0	107.5	T292 N293 E352 I353 L354 Y361	T292-I359 VanDerWaalsContact CA-O 3.24Å; T292-I359 WeakPolarHBondContact CA-O 3.23Å; T292-I359 WeakPolarHBondContact CB-O 3.05Å; N293-I359 HydrophobicContact CB-CB 4.27Å; N293-I359 PolarHBondContact N-O 2.84Å; N293-I359 PolarHBondContact OD1-N 2.96Å; N293-I359 PolarHBondContact OD1-O 3.47Å; E352-I359 HydrophobicContact CB-CG2 4.39Å; I353-I359 WeakPolarHBondContact O-CA 3.3Å; L354-I359 HydrophobicContact CG-CG1 4.48Å; I359-Y361 HydrophobicContact CG2-CD1 4.25Å; I359-Y361 HydrophobicContact CG2-CE1 3.72Å; I359-Y361 HydrophobicContact CG2-CE2 4.42Å
360	F	92.3	Very high	82.9	Confident	5 Å²	5	36.1 Å²	36.1	2%	0.022	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	127.4	170.2	-63.9	-101.9	0	0	0	109.3	H290 T292 K324 I326 E352 I353 T355 V358 V362	H290-F360 AromaticContact ND1-CD1 3.97Å; T292-F360 HydrophobicContact CG2-CD1 3.73Å; T292-F360 HydrophobicContact CG2-CE1 3.94Å; T292-F360 HydrophobicContact CG2-CG 4.27Å; K324-F360 HydrophobicContact CD-CE1 4.44Å; K324-F360 HydrophobicContact CD-CZ 4.02Å; I326-F360 HydrophobicContact CD1-CD1 4.18Å; I326-F360 HydrophobicContact CD1-CD2 4.1Å; I326-F360 HydrophobicContact CD1-CE1 3.84Å; I326-F360 HydrophobicContact CD1-CE2 3.76Å; I326-F360 HydrophobicContact CD1-CG 4.29Å; I326-F360 HydrophobicContact CD1-CZ 3.61Å; I326-F360 HydrophobicContact CG1-CE2 4.22Å; I326-F360 HydrophobicContact CG1-CZ 3.97Å; E352-F360 CarbonylContact C-O 3.57Å; E352-F360 VanDerWaalsContact CA-O 3.32Å; E352-F360 WeakPolarHBondContact CA-O 3.26Å; I353-F360 HydrophobicContact CB-CB 4.25Å; I353-F360 PolarHBondContact N-O 3.41Å; I353-F360 PolarHBondContact O-N 3.47Å; T355-F360 HydrophobicContact CG2-CD2 4.12Å; T355-F360 HydrophobicContact CG2-CE2 3.91Å; V358-F360 HydrophobicContact CB-CE2 4.04Å; V358-F360 HydrophobicContact CG1-CD2 4.1Å; V358-F360 HydrophobicContact CG1-CE2 3.87Å; V358-F360 HydrophobicContact CG1-CZ 4.18Å; F360-V362 HydrophobicContact CB-CG2 4.17Å
361	Y	91.2	Very high	81.6	Confident	28 Å²	28	43 Å²	43	11%	0.11	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	121.6	172.9	-55.1	-72.4	0	0	0	107.9	H290 F291 N293 I342 H349 E352 I359	H290-Y361 WeakPolarHBondContact CA-O 3.37Å; H290-Y361 WeakPolarHBondContact CB-O 3.14Å; F291-Y361 AromaticContact CD2-CD2 3.48Å; F291-Y361 HydrophobicContact CD2-CD2 3.48Å; F291-Y361 VanDerWaalsContact CD2-CD2 3.48Å; F291-Y361 HydrophobicContact CD2-CE2 4.38Å; F291-Y361 HydrophobicContact CD2-CG 4.06Å; F291-Y361 HydrophobicContact CE1-CG 4.47Å; F291-Y361 AromaticContact CE2-CD2 3.3Å; F291-Y361 HydrophobicContact CE2-CD2 3.3Å; F291-Y361 HydrophobicContact CE2-CE2 4.13Å; F291-Y361 AromaticContact CE2-CG 3.59Å; F291-Y361 HydrophobicContact CE2-CG 3.59Å; F291-Y361 HydrophobicContact CG-CD2 4.32Å; F291-Y361 HydrophobicContact CZ-CD2 4.03Å; F291-Y361 AromaticContact CZ-CG 3.82Å; F291-Y361 HydrophobicContact CZ-CG 3.82Å; F291-Y361 PolarHBondContact N-O 2.92Å; F291-Y361 PolarHBondContact O-N 2.63Å; N293-Y361 HydrophobicContact CB-CE2 4.04Å; I342-Y361 HydrophobicContact CD1-CD1 3.66Å; I342-Y361 HydrophobicContact CD1-CE1 3.28Å; I342-Y361 HydrophobicContact CD1-CE2 4.4Å; I342-Y361 HydrophobicContact CD1-CG 4.38Å; H349-Y361 AromaticContact CD2-CD1 3.7Å; H349-Y361 AromaticContact CE1-CD1 3.86Å; H349-Y361 AromaticContact NE2-CD1 3.5Å; H349-Y361 WeakPolarHBondContact NE2-CD1 3.41Å; E352-Y361 HydrophobicContact CG-CD1 3.88Å; E352-Y361 HydrophobicContact CG-CE1 4.15Å; I359-Y361 HydrophobicContact CG2-CD1 4.25Å; I359-Y361 HydrophobicContact CG2-CE1 3.72Å; I359-Y361 HydrophobicContact CG2-CE2 4.42Å
362	V	90.1	Very high	80.1	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	137.4	-164.7	-169.2	0	0	0	0	112	L288 H290 W303 C350 F351 I353 F360	L288-V362 HydrophobicContact CD1-CG1 4.02Å; L288-V362 HydrophobicContact CD2-CG1 4.39Å; H290-V362 HydrophobicContact CB-CG2 4.45Å; W303-V362 HydrophobicContact CH2-CG1 4.17Å; W303-V362 HydrophobicContact CH2-CG2 3.8Å; W303-V362 HydrophobicContact CZ2-CG1 4.43Å; W303-V362 HydrophobicContact CZ2-CG2 4.41Å; C350-V362 PolarHBondContact N-O 2.89Å; F351-V362 HydrophobicContact CD1-CB 4.11Å; F351-V362 HydrophobicContact CD1-CG1 4.44Å; F351-V362 HydrophobicContact CD2-CB 4.31Å; F351-V362 HydrophobicContact CE1-CB 3.73Å; F351-V362 HydrophobicContact CE1-CG1 3.61Å; F351-V362 HydrophobicContact CE2-CB 3.95Å; F351-V362 HydrophobicContact CE2-CG1 4.23Å; F351-V362 HydrophobicContact CE2-CG2 4.11Å; F351-V362 HydrophobicContact CG-CB 4.39Å; F351-V362 HydrophobicContact CZ-CB 3.65Å; F351-V362 HydrophobicContact CZ-CG1 3.49Å; F351-V362 VanDerWaalsContact CZ-CG1 3.49Å; F351-V362 HydrophobicContact CZ-CG2 4.2Å; F351-V362 PolarHBondContact N-O 3.31Å; F351-V362 PolarHBondContact O-N 2.84Å; I353-V362 HydrophobicContact CD1-CG2 4.16Å; I353-V362 HydrophobicContact CG1-CG2 4.27Å; F360-V362 HydrophobicContact CB-CG2 4.17Å
363	G	83.5	Confident	78.2	Confident	9 Å²	9	50.2 Å²	50.2	9%	0.093	25%	0.25	C	S	.	.	S	Bend	trans	80.3	176.2	179.8	0	0	0	0	0	114.1	L289 H349	L289-G363 PolarHBondContact O-N 3.32Å; H349-G363 WeakPolarHBondContact CA-O 3.46Å
364	E	80.7	Confident	76.2	Confident	23 Å²	23	59.9 Å²	59.9	11%	0.107	29%	0.292	C	S	.	.			trans	-130	119.7	174.9	-55.4	-156.6	124.5	0	0	110.4	L289 R298 P347 P348 L366	L289-E364 HydrophobicContact CB-CG 4.29Å; L289-E364 HydrophobicContact CD1-CG 3.89Å; L289-E364 WeakPolarHBondContact CD1-OE2 3.47Å; R298-E364 WeakPolarHBondContact CD-OE1 3.37Å; R298-E364 IonicContact CZ-OE1 2.82Å; R298-E364 IonicContact NE-OE1 2.6Å; R298-E364 IonicContact NH1-OE1 2.94Å; R298-E364 PolarHBondContact NH1-OE1 3.1Å; P347-E364 HydrophobicContact CB-CB 4.44Å; P347-E364 HydrophobicContact CG-CB 3.86Å; P347-E364 HydrophobicContact CG-CG 4.04Å; P347-E364 WeakPolarHBondContact CG-OE1 3.14Å; P348-E364 CarbonylContact O-C 3.57Å; P348-E364 WeakPolarHBondContact O-CA 3.37Å; E364-L366 HydrophobicContact CB-CD2 4.41Å; E364-L366 PolarHBondContact O-N 2.89Å
365	N	78.3	Confident	74.1	Confident	11 Å²	11	64.8 Å²	64.8	6%	0.059	32%	0.315	C	S	.	.			trans	-93.1	74.4	-179.6	-174.5	4.8	0	0	0	110.6	P348 E367 W368	P348-N365 HydrophobicContact CB-CB 4.31Å; P348-N365 PolarHBondContact O-N 3.02Å; N365-E367 PolarHBondContact O-N 2.78Å; N365-W368 WeakPolarHBondContact O-CB 3.4Å; N365-W368 PolarHBondContact O-N 3.03Å
366	L	71.6	Confident	72.1	Confident	66 Å²	66	70 Å²	70	35%	0.346	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-20.9	179	-57.3	-176.4	0	0	0	113.3	P347 E364 W368 Y369 I380	P347-L366 HydrophobicContact CB-CD2 3.64Å; P347-L366 HydrophobicContact CG-CD2 3.83Å; E364-L366 HydrophobicContact CB-CD2 4.41Å; E364-L366 PolarHBondContact O-N 2.89Å; L366-W368 PolarHBondContact O-N 3.45Å; L366-Y369 PolarHBondContact O-N 3.02Å; L366-I380 HydrophobicContact CD1-CD1 4.46Å; L366-I380 HydrophobicContact CD2-CD1 4.45Å; L366-I380 HydrophobicContact CD2-CG2 3.97Å
367	E	68.9	Low	70.6	Confident	75 Å²	75	72.4 Å²	72.4	35%	0.35	37%	0.372	S	S	.	.	H	α-helix	trans	-68.9	-15.4	176.7	-65.1	177.5	-149	0	0	113.6	N365 T370 K371 M393	N365-E367 PolarHBondContact O-N 2.78Å; E367-T370 WeakPolarHBondContact CA-OG1 3.23Å; E367-T370 PolarHBondContact O-N 2.7Å; E367-T370 PolarHBondContact O-OG1 2.81Å; E367-T370 VanDerWaalsContact O-OG1 3.09Å; E367-K371 WeakPolarHBondContact O-CB 3.35Å; E367-K371 WeakPolarHBondContact O-CG 3.49Å; E367-K371 PolarHBondContact O-N 3.04Å; E367-K371 VanDerWaalsContact O-N 3.12Å; E367-K371 IonicContact OE2-NZ 3.82Å; E367-K371 PolarHBondContact OE2-NZ 3.04Å; E367-M393 WeakPolarHBondContact OE1-CB 3.37Å
368	W	70.4	Confident	69.1	Low	43 Å²	43	67.2 Å²	67.2	16%	0.163	35%	0.351	C	S	.	.	H	α-helix	trans	-62.5	-44.9	175	179.7	77	0	0	0	111.2	P340 P341 P348 N365 L366 T370 K371 E372	P340-W368 HydrophobicContact CB-CZ2 4.09Å; P341-W368 HydrophobicContact CG-CE3 4.28Å; P341-W368 HydrophobicContact CG-CH2 4.33Å; P341-W368 HydrophobicContact CG-CZ3 3.95Å; P348-W368 HydrophobicContact CG-CB 3.73Å; P348-W368 HydrophobicContact CG-CD2 3.77Å; P348-W368 HydrophobicContact CG-CE3 3.94Å; P348-W368 HydrophobicContact CG-CG 3.68Å; N365-W368 WeakPolarHBondContact O-CB 3.4Å; N365-W368 PolarHBondContact O-N 3.03Å; L366-W368 PolarHBondContact O-N 3.45Å; W368-T370 PolarHBondContact O-N 3.3Å; W368-K371 PolarHBondContact O-N 3.32Å; W368-E372 VanDerWaalsContact CZ2-CD 3.43Å; W368-E372 HydrophobicContact CZ2-CG 4.44Å; W368-E372 WeakPolarHBondContact CZ2-OE2 3.45Å; W368-E372 VanDerWaalsContact NE1-CD 3.3Å; W368-E372 PolarHBondContact NE1-OE1 3.29Å; W368-E372 PolarHBondContact O-N 3.18Å
369	Y	66.6	Low	67.3	Low	27 Å²	27	72.6 Å²	72.6	11%	0.106	38%	0.384	C	S	.	.	H	α-helix	trans	-61.3	-41.3	177.2	-69	-73	0	0	0	112.2	G346 P347 L366 K371 T373 V378	G346-Y369 PolarHBondContact O-OH 3.3Å; P347-Y369 HydrophobicContact CB-CE2 3.92Å; L366-Y369 PolarHBondContact O-N 3.02Å; Y369-K371 VanDerWaalsContact C-N 3.3Å; Y369-K371 PolarHBondContact O-N 2.88Å; Y369-T373 PolarHBondContact O-N 3.32Å; Y369-T373 PolarHBondContact O-OG1 3.48Å; Y369-V378 HydrophobicContact CD1-CG1 4.15Å
370	T	64	Low	65.5	Low	99 Å²	99	72.1 Å²	72.1	61%	0.607	38%	0.382	S	S	*	.	H	α-helix	trans	-73.2	-21	179.7	55.3	0	0	0	0	113.5	E367 W368	E367-T370 WeakPolarHBondContact CA-OG1 3.23Å; E367-T370 PolarHBondContact O-N 2.7Å; E367-T370 PolarHBondContact O-OG1 2.81Å; E367-T370 VanDerWaalsContact O-OG1 3.09Å; W368-T370 PolarHBondContact O-N 3.3Å
371	K	61.5	Low	63.6	Low	145 Å²	145	74.7 Å²	74.7	63%	0.63	40%	0.399	S	S	*	.	H	α-helix	trans	-86.6	-41	177	-77	168.9	177.7	152.4	0	113.2	E367 W368 Y369	E367-K371 WeakPolarHBondContact O-CB 3.35Å; E367-K371 WeakPolarHBondContact O-CG 3.49Å; E367-K371 PolarHBondContact O-N 3.04Å; E367-K371 VanDerWaalsContact O-N 3.12Å; E367-K371 IonicContact OE2-NZ 3.82Å; E367-K371 PolarHBondContact OE2-NZ 3.04Å; W368-K371 PolarHBondContact O-N 3.32Å; Y369-K371 VanDerWaalsContact C-N 3.3Å; Y369-K371 PolarHBondContact O-N 2.88Å
372	E	58.3	Low	61.7	Low	124 Å²	124	75.1 Å²	75.1	58%	0.579	41%	0.406	S	S	*	.	H	α-helix	trans	-84.2	-40	-177.7	-85.3	-166.2	-154.2	0	0	114.3	W368 K374	W368-E372 VanDerWaalsContact CZ2-CD 3.43Å; W368-E372 HydrophobicContact CZ2-CG 4.44Å; W368-E372 WeakPolarHBondContact CZ2-OE2 3.45Å; W368-E372 VanDerWaalsContact NE1-CD 3.3Å; W368-E372 PolarHBondContact NE1-OE1 3.29Å; W368-E372 PolarHBondContact O-N 3.18Å; E372-K374 PolarHBondContact O-N 3.25Å
373	T	54.3	Low	59.6	Low	56 Å²	56	81.5 Å²	81.5	34%	0.344	45%	0.447	S	S	.	.	S	Bend	trans	-82.4	-15.3	-168.4	69.2	0	0	0	0	114.9	Y369 E375 V378	Y369-T373 PolarHBondContact O-N 3.32Å; Y369-T373 PolarHBondContact O-OG1 3.48Å; T373-E375 PolarHBondContact O-N 2.79Å; T373-E375 PolarHBondContact OG1-N 2.99Å; T373-V378 HydrophobicContact CG2-CG2 3.86Å; T373-V378 VanDerWaalsContact OG1-CG2 3.26Å; T373-V378 WeakPolarHBondContact OG1-CG2 3.42Å
374	K	50.5	Low	57.6	Low	203 Å²	203	85.3 Å²	85.3	88%	0.883	47%	0.465	S	S	*	.			trans	54.5	4.7	-170.3	-69	-175.1	176.8	177.9	0	115.8	E372	E372-K374 PolarHBondContact O-N 3.25Å
375	E	48.3	Very low	55.6	Low	139 Å²	139	89 Å²	89	65%	0.65	49%	0.491	S	S	*	.			trans	-106.6	127.6	-179	-71.8	-174.5	164.2	0	0	110.8	T373 C377	T373-E375 PolarHBondContact O-N 2.79Å; T373-E375 PolarHBondContact OG1-N 2.99Å; E375-C377 PolarHBondContact O-N 3.16Å
376	S	46.5	Very low	54.2	Low	132 Å²	132	97 Å²	97	92%	0.923	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	3.2	-177	51.3	0	0	0	0	114.7
377	C	43.1	Very low	52.7	Low	110 Å²	110	105.7 Å²	105.7	74%	0.743	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.2	39	-166.9	-151.3	0	0	0	0	114.7	E375 T379	E375-C377 PolarHBondContact O-N 3.16Å; C377-T379 PolarHBondContact O-N 3.46Å
378	V	50.6	Low	51.3	Low	52 Å²	52	108.6 Å²	108.6	32%	0.315	56%	0.562	S	S	.	*			trans	-70	125.8	171.3	-177.9	0	0	0	0	110.8	Y369 T373 I380	Y369-V378 HydrophobicContact CD1-CG1 4.15Å; T373-V378 HydrophobicContact CG2-CG2 3.86Å; T373-V378 VanDerWaalsContact OG1-CG2 3.26Å; T373-V378 WeakPolarHBondContact OG1-CG2 3.42Å; V378-I380 PolarHBondContact O-N 3.38Å
379	T	50.2	Low	50	Low	128 Å²	128	108.7 Å²	108.7	79%	0.785	57%	0.569	S	S	*	*			trans	-72	85.6	175.2	-38.9	0	0	0	0	110.6	C377 P381	C377-T379 PolarHBondContact O-N 3.46Å; T379-P381 WeakPolarHBondContact O-CD 3.46Å
380	I	54.8	Low	48.8	Very low	39 Å²	39	109 Å²	109	20%	0.2	58%	0.58	C	S	.	*			trans	-53.5	121.2	-178.9	-57.3	171.5	0	0	0	110.5	L366 V378 C382	L366-I380 HydrophobicContact CD1-CD1 4.46Å; L366-I380 HydrophobicContact CD2-CD1 4.45Å; L366-I380 HydrophobicContact CD2-CG2 3.97Å; V378-I380 PolarHBondContact O-N 3.38Å; I380-C382 HydrophobicContact CG2-CB 4.44Å; I380-C382 PolarHBondContact O-N 2.99Å
381	P	52.8	Low	48.1	Very low	59 Å²	59	109.8 Å²	109.8	38%	0.383	58%	0.58	S	S	.	*			trans	-75.3	89	175.2	31.1	-33.6	0	0	0	109.9	T379	T379-P381 WeakPolarHBondContact O-CD 3.46Å
382	C	50	Low	48	Very low	37 Å²	37	104.7 Å²	104.7	25%	0.25	57%	0.57	C	S	.	*			trans	-150.8	121	166.9	-170.4	0	0	0	0	110.1	I380 L384	I380-C382 HydrophobicContact CG2-CB 4.44Å; I380-C382 PolarHBondContact O-N 2.99Å; C382-L384 PolarHBondContact O-N 2.68Å
383	P	45.6	Very low	48.4	Very low	135 Å²	135	100.5 Å²	100.5	88%	0.877	55%	0.55	S	S	*	*			trans	-80.8	7.4	-175.2	32.8	-36.2	0	0	0	114.3
384	L	42	Very low	49	Very low	89 Å²	89	100.8 Å²	100.8	47%	0.466	56%	0.558	S	S	.	*	S	Bend	trans	-98.9	145.8	-175.1	-68.4	172.2	0	0	0	112.8	L289 C382 R386	L289-L384 HydrophobicContact CD2-CD1 4.45Å; C382-L384 PolarHBondContact O-N 2.68Å; L384-R386 PolarHBondContact O-N 3.33Å
385	P	39.9	Very low	50.1	Low	101 Å²	101	93.1 Å²	93.1	66%	0.656	53%	0.526	S	S	*	.			trans	-60.1	117.4	-178.9	-25.3	35.1	0	0	0	113.6	R387 E388	P385-R387 PolarHBondContact O-N 3.07Å; P385-E388 PolarHBondContact O-N 3.36Å
386	R	48.5	Very low	51.4	Low	178 Å²	178	86.7 Å²	86.7	67%	0.672	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-5.5	-170.2	-63.9	-178.7	179.8	175.8	-1.3	116.6	L384	L384-R386 PolarHBondContact O-N 3.33Å
387	R	39.8	Very low	53.1	Low	248 Å²	248	85 Å²	85	94%	0.936	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-7.3	179.7	-79.7	-169.1	172.2	-155.1	-2.1	114.8	P385	P385-R387 PolarHBondContact O-N 3.07Å
388	E	38.6	Very low	55	Low	136 Å²	136	87 Å²	87	64%	0.636	47%	0.466	S	S	*	.	S	Bend	trans	-130	8.2	-175.3	-63.6	-172.8	-174.9	0	0	114.9	R300 P385 G390	R300-E388 PolarHBondContact NH2-O 3.09Å; P385-E388 PolarHBondContact O-N 3.36Å; E388-G390 PolarHBondContact O-N 3.49Å; E388-G390 VanDerWaalsContact O-N 3.1Å
389	S	43.5	Very low	56.9	Low	45 Å²	45	84.6 Å²	84.6	32%	0.315	45%	0.451	S	S	.	.	S	Bend	trans	-59.9	-24.2	-178.5	59.8	0	0	0	0	113.7
390	G	41.4	Very low	58.7	Low	33 Å²	33	80.1 Å²	80.1	34%	0.34	42%	0.421	S	S	.	.			trans	80	141.6	-159	0	0	0	0	0	110.1	E388	E388-G390 PolarHBondContact O-N 3.49Å; E388-G390 VanDerWaalsContact O-N 3.1Å
391	L	49.6	Very low	60.1	Low	116 Å²	116	80.9 Å²	80.9	61%	0.607	43%	0.433	S	S	*	.			trans	-41.9	137.1	171.3	-63.4	72.5	0	0	0	110.3	M395	L391-M395 HydrophobicContact CB-CB 3.52Å; L391-M395 HydrophobicContact CB-CG 4.46Å; L391-M395 HydrophobicContact CD1-CE 4.21Å; L391-M395 HydrophobicContact CD2-CB 4.3Å; L391-M395 HydrophobicContact CG-CB 4.43Å
392	G	59.5	Low	61.7	Low	39 Å²	39	79.1 Å²	79.1	40%	0.402	42%	0.423	S	S	.	.				79.4	139.2	60.7	0	0	0	0	0	109.9	A394 M395	G392-A394 PolarHBondContact O-N 3.03Å; G392-M395 PolarHBondContact O-N 2.9Å
393	M	66	Low	63.5	Low	36 Å²	36	77.3 Å²	77.3	18%	0.177	41%	0.412	C	S	.	.	H	α-helix	trans	-49.9	-35.2	-170	-164	67.1	160.9	0	0	113.2	C350 E367 M395 A396 Q397	C350-M393 HydrophobicContact CB-SD 4.35Å; E367-M393 WeakPolarHBondContact OE1-CB 3.37Å; M393-M395 PolarHBondContact O-N 3.37Å; M393-A396 PolarHBondContact O-N 3.32Å; M393-Q397 WeakPolarHBondContact O-CB 3.43Å; M393-Q397 VanDerWaalsContact O-CG 3.3Å; M393-Q397 WeakPolarHBondContact O-CG 3.48Å; M393-Q397 PolarHBondContact O-N 2.76Å
394	A	68.2	Low	65.4	Low	62 Å²	62	74.8 Å²	74.8	51%	0.512	39%	0.388	S	S	.	.	H	α-helix	trans	-59.7	-38.4	176.8	0	0	0	0	0	115.5	G392 R398	G392-A394 PolarHBondContact O-N 3.03Å; A394-R398 PolarHBondContact O-N 2.7Å
395	M	73.7	Confident	67.1	Low	42 Å²	42	76.9 Å²	76.9	21%	0.207	39%	0.39	C	S	.	.	H	α-helix	trans	-76.6	-37.7	178.6	178.1	67.9	78.9	0	0	111.2	L391 G392 M393 Q397 R398 W399	L391-M395 HydrophobicContact CB-CB 3.52Å; L391-M395 HydrophobicContact CB-CG 4.46Å; L391-M395 HydrophobicContact CD1-CE 4.21Å; L391-M395 HydrophobicContact CD2-CB 4.3Å; L391-M395 HydrophobicContact CG-CB 4.43Å; G392-M395 PolarHBondContact O-N 2.9Å; M393-M395 PolarHBondContact O-N 3.37Å; M395-Q397 VanDerWaalsContact C-N 3.31Å; M395-Q397 PolarHBondContact O-N 2.9Å; M395-R398 PolarHBondContact O-N 3.27Å; M395-W399 PolarHBondContact O-N 3.5Å
396	A	75.9	Confident	69	Low	3 Å²	3	74 Å²	74	3%	0.025	37%	0.374	C	S	.	.	H	α-helix	trans	-60.5	-42.3	171.2	0	0	0	0	0	111.5	C350 F351 M393 W399 F400	C350-A396 HydrophobicContact CB-CB 3.26Å; F351-A396 HydrophobicContact CD1-CB 4.02Å; F351-A396 HydrophobicContact CE1-CB 4.16Å; M393-A396 PolarHBondContact O-N 3.32Å; A396-W399 PolarHBondContact O-N 2.92Å; A396-F400 VanDerWaalsContact O-CB 3.28Å; A396-F400 WeakPolarHBondContact O-CB 3.49Å; A396-F400 PolarHBondContact O-N 3.12Å
397	Q	80.6	Confident	70.4	Confident	97 Å²	97	66.6 Å²	66.6	45%	0.453	35%	0.347	S	S	.	.	H	α-helix	trans	-61.8	-41.7	172.2	-75.5	170.5	-15.7	0	0	112.6	M393 M395 F400 A401	M393-Q397 WeakPolarHBondContact O-CB 3.43Å; M393-Q397 VanDerWaalsContact O-CG 3.3Å; M393-Q397 WeakPolarHBondContact O-CG 3.48Å; M393-Q397 PolarHBondContact O-N 2.76Å; M395-Q397 VanDerWaalsContact C-N 3.31Å; M395-Q397 PolarHBondContact O-N 2.9Å; Q397-F400 PolarHBondContact O-N 2.71Å; Q397-A401 VanDerWaalsContact O-CB 3.27Å; Q397-A401 WeakPolarHBondContact O-CB 3.44Å; Q397-A401 PolarHBondContact O-N 3.04Å
398	R	84.8	Confident	71.7	Confident	153 Å²	153	57.7 Å²	57.7	58%	0.577	32%	0.317	S	S	*	.	H	α-helix	trans	-61.4	-44.7	175.6	178.7	176.4	167.8	178.9	-6.5	111.9	L284 A394 M395 A402	L284-R398 VanDerWaalsContact CD1-NH2 3.33Å; L284-R398 HydrophobicContact CD2-CG 4.44Å; A394-R398 PolarHBondContact O-N 2.7Å; M395-R398 PolarHBondContact O-N 3.27Å; R398-A402 VanDerWaalsContact O-CB 3.28Å; R398-A402 WeakPolarHBondContact O-CB 3.31Å; R398-A402 PolarHBondContact O-N 3.45Å
399	W	88.8	Confident	72.2	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-65.9	-46.1	174.9	-87.6	93.4	0	0	0	112.2	L284 L288 W303 M305 I310 F351 M395 A396 A401 A402 I403	L284-W399 HydrophobicContact CB-CH2 4.49Å; L284-W399 HydrophobicContact CD2-CB 4.49Å; L284-W399 HydrophobicContact CD2-CD2 3.51Å; L284-W399 HydrophobicContact CD2-CE3 3.87Å; L284-W399 HydrophobicContact CD2-CG 3.81Å; L284-W399 HydrophobicContact CD2-CH2 4.43Å; L284-W399 HydrophobicContact CD2-CZ2 4.13Å; L284-W399 HydrophobicContact CD2-CZ3 4.33Å; L284-W399 HydrophobicContact CG-CD2 4.19Å; L284-W399 HydrophobicContact CG-CH2 4.2Å; L284-W399 HydrophobicContact CG-CZ2 3.87Å; L288-W399 HydrophobicContact CD1-CD2 3.62Å; L288-W399 HydrophobicContact CD1-CE3 4.11Å; L288-W399 HydrophobicContact CD1-CG 3.83Å; L288-W399 HydrophobicContact CD1-CZ2 4.18Å; W303-W399 HydrophobicContact CB-CH2 3.47Å; W303-W399 VanDerWaalsContact CB-CH2 3.47Å; W303-W399 HydrophobicContact CB-CZ2 3.82Å; W303-W399 HydrophobicContact CB-CZ3 4.11Å; W303-W399 HydrophobicContact CE3-CE3 4.32Å; W303-W399 HydrophobicContact CE3-CZ3 4.06Å; M305-W399 HydrophobicContact CB-CH2 4.09Å; M305-W399 HydrophobicContact CB-CZ3 3.8Å; I310-W399 HydrophobicContact CG2-CZ3 4.39Å; F351-W399 HydrophobicContact CE1-CB 4.2Å; F351-W399 HydrophobicContact CZ-CB 3.97Å; M395-W399 PolarHBondContact O-N 3.5Å; A396-W399 PolarHBondContact O-N 2.92Å; W399-A401 PolarHBondContact O-N 3.28Å; W399-A402 PolarHBondContact O-N 2.86Å; W399-I403 HydrophobicContact CE3-CD1 4.24Å; W399-I403 HydrophobicContact CE3-CG1 4.49Å; W399-I403 VanDerWaalsContact O-CG1 3.27Å; W399-I403 WeakPolarHBondContact O-CG1 3.24Å; W399-I403 PolarHBondContact O-N 3.25Å
400	F	88.6	Confident	72.1	Confident	34 Å²	34	53.9 Å²	53.9	15%	0.149	30%	0.299	C	S	.	.	H	α-helix	trans	-55.6	-49.6	175.1	179.9	-90.4	0	0	0	111.4	I334 L336 F351 A396 Q397 A402 I403 H404	I334-F400 HydrophobicContact CB-CD2 4.3Å; I334-F400 HydrophobicContact CB-CE2 3.88Å; I334-F400 HydrophobicContact CD1-CD2 3.86Å; I334-F400 HydrophobicContact CD1-CE2 3.7Å; I334-F400 HydrophobicContact CD1-CG 4.35Å; I334-F400 HydrophobicContact CD1-CZ 4.06Å; I334-F400 WeakPolarHBondContact CD1-O 3.35Å; I334-F400 HydrophobicContact CG1-CD2 4.17Å; I334-F400 HydrophobicContact CG1-CE2 3.58Å; I334-F400 HydrophobicContact CG1-CZ 4.01Å; L336-F400 HydrophobicContact CD1-CD1 4.27Å; L336-F400 HydrophobicContact CD1-CE1 4.13Å; L336-F400 HydrophobicContact CD1-CZ 4.48Å; L336-F400 HydrophobicContact CD2-CB 4.1Å; L336-F400 HydrophobicContact CD2-CD1 4Å; L336-F400 HydrophobicContact CD2-CD2 3.94Å; L336-F400 HydrophobicContact CD2-CE1 4.47Å; L336-F400 HydrophobicContact CD2-CE2 4.4Å; L336-F400 HydrophobicContact CD2-CG 3.72Å; L336-F400 HydrophobicContact CG-CD1 3.96Å; L336-F400 HydrophobicContact CG-CD2 4Å; L336-F400 HydrophobicContact CG-CE1 3.92Å; L336-F400 HydrophobicContact CG-CE2 3.95Å; L336-F400 HydrophobicContact CG-CG 4.01Å; L336-F400 HydrophobicContact CG-CZ 3.92Å; F351-F400 HydrophobicContact CB-CD2 3.96Å; F351-F400 HydrophobicContact CD2-CD2 4.13Å; F351-F400 HydrophobicContact CG-CB 4.4Å; F351-F400 HydrophobicContact CG-CD2 4.19Å; A396-F400 VanDerWaalsContact O-CB 3.28Å; A396-F400 WeakPolarHBondContact O-CB 3.49Å; A396-F400 PolarHBondContact O-N 3.12Å; Q397-F400 PolarHBondContact O-N 2.71Å; F400-A402 PolarHBondContact O-N 2.83Å; F400-I403 PolarHBondContact O-N 3.47Å; F400-H404 VanDerWaalsContact O-CB 3.24Å; F400-H404 WeakPolarHBondContact O-CB 3.35Å; F400-H404 PolarHBondContact O-N 3.2Å
401	A	85.3	Confident	71.9	Confident	56 Å²	56	56.2 Å²	56.2	46%	0.463	31%	0.309	S	S	.	.	H	α-helix	trans	-64.9	-36.9	178.9	0	0	0	0	0	112.9	Q397 W399 R405	Q397-A401 VanDerWaalsContact O-CB 3.27Å; Q397-A401 WeakPolarHBondContact O-CB 3.44Å; Q397-A401 PolarHBondContact O-N 3.04Å; W399-A401 PolarHBondContact O-N 3.28Å; A401-R405 VanDerWaalsContact O-CB 3.27Å; A401-R405 WeakPolarHBondContact O-CB 3.35Å; A401-R405 PolarHBondContact O-N 3.44Å
402	A	85.9	Confident	71.4	Confident	21 Å²	21	55.1 Å²	55.1	17%	0.174	31%	0.306	C	S	.	.	H	α-helix	trans	-67.2	-45.8	176.8	0	0	0	0	0	111.9	L284 M305 R398 W399 F400 R405 A406	L284-A402 HydrophobicContact CD2-CB 3.63Å; M305-A402 HydrophobicContact CE-CB 3.82Å; M305-A402 HydrophobicContact SD-CB 4.21Å; R398-A402 VanDerWaalsContact O-CB 3.28Å; R398-A402 WeakPolarHBondContact O-CB 3.31Å; R398-A402 PolarHBondContact O-N 3.45Å; W399-A402 PolarHBondContact O-N 2.86Å; F400-A402 PolarHBondContact O-N 2.83Å; A402-R405 PolarHBondContact O-N 2.94Å; A402-A406 PolarHBondContact O-N 2.94Å
403	I	87.7	Confident	70	Confident	0 Å²	0	58 Å²	58	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-65.9	-42.1	175.5	-59.7	164.4	0	0	0	110	M305 I310 F328 I331 I334 F351 I353 W399 F400 R405 A406 L407	M305-I403 HydrophobicContact SD-CG1 3.9Å; I310-I403 HydrophobicContact CD1-CD1 3.71Å; I310-I403 HydrophobicContact CD1-CG1 3.91Å; F328-I403 HydrophobicContact CE1-CG2 4.33Å; I331-I403 HydrophobicContact CD1-CG2 4.21Å; I334-I403 HydrophobicContact CD1-CB 4.12Å; I334-I403 HydrophobicContact CD1-CG2 4.05Å; I334-I403 HydrophobicContact CG2-CG2 3.99Å; F351-I403 HydrophobicContact CE2-CD1 4.04Å; F351-I403 HydrophobicContact CZ-CD1 4.35Å; I353-I403 HydrophobicContact CD1-CD1 3.93Å; W399-I403 HydrophobicContact CE3-CD1 4.24Å; W399-I403 HydrophobicContact CE3-CG1 4.49Å; W399-I403 VanDerWaalsContact O-CG1 3.27Å; W399-I403 WeakPolarHBondContact O-CG1 3.24Å; W399-I403 PolarHBondContact O-N 3.25Å; F400-I403 PolarHBondContact O-N 3.47Å; I403-R405 VanDerWaalsContact C-N 3.32Å; I403-R405 PolarHBondContact O-N 3.35Å; I403-A406 PolarHBondContact O-N 3.5Å; I403-A406 VanDerWaalsContact O-N 3.14Å; I403-L407 HydrophobicContact CG2-CD1 3.86Å; I403-L407 HydrophobicContact CG2-CG 4.31Å; I403-L407 WeakPolarHBondContact O-CG 3.34Å; I403-L407 PolarHBondContact O-N 2.86Å
404	H	84.4	Confident	68.3	Low	82 Å²	82	61.5 Å²	61.5	38%	0.38	34%	0.343	S	S	.	.	H	α-helix	trans	-56.4	-46.9	174.8	-166.2	-89.8	0	0	0	111.4	I334 F400 A406 L407 M408	I334-H404 HydrophobicContact CD1-CB 3.78Å; F400-H404 VanDerWaalsContact O-CB 3.24Å; F400-H404 WeakPolarHBondContact O-CB 3.35Å; F400-H404 PolarHBondContact O-N 3.2Å; H404-A406 VanDerWaalsContact C-N 3.31Å; H404-A406 PolarHBondContact O-N 3.44Å; H404-L407 PolarHBondContact O-N 3.15Å; H404-M408 WeakPolarHBondContact O-CB 3.47Å; H404-M408 VanDerWaalsContact O-CG 3.28Å; H404-M408 WeakPolarHBondContact O-CG 3.39Å; H404-M408 PolarHBondContact O-N 2.95Å
405	R	79.3	Confident	66.3	Low	133 Å²	133	65 Å²	65	50%	0.502	35%	0.353	S	S	.	.	H	α-helix	trans	-67.4	-28.3	178.5	-175.6	174.1	-176.5	141.1	6.6	113.3	A401 A402 I403 M408 L410	A401-R405 VanDerWaalsContact O-CB 3.27Å; A401-R405 WeakPolarHBondContact O-CB 3.35Å; A401-R405 PolarHBondContact O-N 3.44Å; A402-R405 PolarHBondContact O-N 2.94Å; I403-R405 VanDerWaalsContact C-N 3.32Å; I403-R405 PolarHBondContact O-N 3.35Å; R405-M408 VanDerWaalsContact O-O 3.06Å; R405-L410 HydrophobicContact CG-CD2 4.08Å
406	A	78.6	Confident	64.2	Low	39 Å²	39	72.4 Å²	72.4	32%	0.322	38%	0.379	S	S	.	.	H	α-helix	trans	-78.7	-29.5	175.2	0	0	0	0	0	113	M305 F328 A402 I403 H404	M305-A406 HydrophobicContact CE-CB 4.49Å; F328-A406 HydrophobicContact CD1-CB 4.5Å; F328-A406 HydrophobicContact CD2-CB 4.34Å; F328-A406 HydrophobicContact CE1-CB 3.9Å; F328-A406 HydrophobicContact CE2-CB 3.71Å; F328-A406 HydrophobicContact CZ-CB 3.45Å; F328-A406 VanDerWaalsContact CZ-CB 3.45Å; A402-A406 PolarHBondContact O-N 2.94Å; I403-A406 PolarHBondContact O-N 3.5Å; I403-A406 VanDerWaalsContact O-N 3.14Å; H404-A406 VanDerWaalsContact C-N 3.31Å; H404-A406 PolarHBondContact O-N 3.44Å
407	L	77.4	Confident	61.9	Low	23 Å²	23	77 Å²	77	12%	0.12	41%	0.407	C	S	.	.	H	α-helix	trans	-81.3	-27.2	176.2	-67.2	171.1	0	0	0	113.2	F328 I331 I334 I403 H404 R466	F328-L407 HydrophobicContact CB-CD2 4.06Å; F328-L407 HydrophobicContact CD1-CD2 4.24Å; F328-L407 HydrophobicContact CG-CD2 4.47Å; I331-L407 HydrophobicContact CB-CD1 4.3Å; I331-L407 HydrophobicContact CB-CD2 4.09Å; I331-L407 HydrophobicContact CG2-CD1 3.75Å; I331-L407 HydrophobicContact CG2-CD2 4.44Å; I334-L407 HydrophobicContact CG2-CD1 4.18Å; I403-L407 HydrophobicContact CG2-CD1 3.86Å; I403-L407 HydrophobicContact CG2-CG 4.31Å; I403-L407 WeakPolarHBondContact O-CG 3.34Å; I403-L407 PolarHBondContact O-N 2.86Å; H404-L407 PolarHBondContact O-N 3.15Å; L407-R466 PolarHBondContact O-NH2 3.28Å
408	M	67.4	Low	59.4	Low	61 Å²	61	76.6 Å²	76.6	30%	0.3	43%	0.428	S	S	.	.	S	Bend	trans	-85.4	147.1	173.3	-66.6	-66.5	174	0	0	111.4	H404 R405 L410	H404-M408 WeakPolarHBondContact O-CB 3.47Å; H404-M408 VanDerWaalsContact O-CG 3.28Å; H404-M408 WeakPolarHBondContact O-CG 3.39Å; H404-M408 PolarHBondContact O-N 2.95Å; R405-M408 VanDerWaalsContact O-O 3.06Å; M408-L410 PolarHBondContact O-N 3.4Å
409	P	49	Very low	56.7	Low	34 Å²	34	75.5 Å²	75.5	22%	0.221	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-59.5	130	166.1	26	-32.8	0	0	0	109.2	P411 S441 F519	P409-P411 WeakPolarHBondContact O-CD 3.33Å; P409-P411 VanDerWaalsContact O-N 3.15Å; P409-S441 WeakPolarHBondContact CD-OG 3.23Å; P409-F519 HydrophobicContact CB-CZ 3.98Å; P409-F519 HydrophobicContact CG-CZ 4.49Å
410	L	42.8	Very low	53.7	Low	68 Å²	68	81.1 Å²	81.1	36%	0.356	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-54.3	118.4	-172.2	-77.5	167.6	0	0	0	111.9	R405 M408 V412 R517	R405-L410 HydrophobicContact CG-CD2 4.08Å; M408-L410 PolarHBondContact O-N 3.4Å; L410-V412 PolarHBondContact O-N 2.85Å; L410-R517 PolarHBondContact O-NH2 2.88Å
411	P	37.1	Very low	50.8	Low	82 Å²	82	84.1 Å²	84.1	53%	0.532	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-65.4	128.2	169.1	27.5	-32.8	0	0	0	108.5	P409	P409-P411 WeakPolarHBondContact O-CD 3.33Å; P409-P411 VanDerWaalsContact O-N 3.15Å
412	V	37.9	Very low	48.1	Very low	92 Å²	92	87.5 Å²	87.5	56%	0.558	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-71.7	135.3	174.1	-173.1	0	0	0	0	108.3	L410 C414	L410-V412 PolarHBondContact O-N 2.85Å; V412-C414 PolarHBondContact O-N 2.85Å; V412-C414 VanDerWaalsContact O-N 3.16Å
413	T	30.6	Very low	45.7	Very low	100 Å²	100	89.5 Å²	89.5	61%	0.613	53%	0.529	S	S	*	.			trans	-60	114.7	175.7	37.1	0	0	0	0	110.6	D415	T413-D415 WeakPolarHBondContact CB-OD2 3.35Å; T413-D415 PolarHBondContact O-N 3.4Å
414	C	30.3	Very low	43.6	Very low	110 Å²	110	94.6 Å²	94.6	74%	0.743	57%	0.565	S	S	*	*			trans	-83.4	44.7	178.7	-154.5	0	0	0	0	111.9	V412 R416	V412-C414 PolarHBondContact O-N 2.85Å; V412-C414 VanDerWaalsContact O-N 3.16Å; C414-R416 VanDerWaalsContact C-N 3.34Å; C414-R416 PolarHBondContact O-N 2.88Å
415	D	26.5	Very low	41.6	Very low	136 Å²	136	94.2 Å²	94.2	73%	0.727	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	17	-172	-65.6	-34.6	0	0	0	113.7	T413	T413-D415 WeakPolarHBondContact CB-OD2 3.35Å; T413-D415 PolarHBondContact O-N 3.4Å
416	R	29.3	Very low	39.7	Very low	196 Å²	196	89.2 Å²	89.2	74%	0.74	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136	12.5	-177.3	-79.2	-162.9	173.8	-164.8	-2.3	117.1	C414	C414-R416 VanDerWaalsContact C-N 3.34Å; C414-R416 PolarHBondContact O-N 2.88Å
417	V	28	Very low	37.9	Very low	101 Å²	101	94.6 Å²	94.6	61%	0.612	58%	0.581	S	S	*	*			trans	-135.4	89.2	169.8	-168.2	0	0	0	0	111.2	L419	V417-L419 HydrophobicContact CG1-CB 4.07Å; V417-L419 HydrophobicContact CG1-CD1 3.56Å; V417-L419 HydrophobicContact CG1-CG 4.39Å; V417-L419 PolarHBondContact O-N 3.36Å
418	G	26.8	Very low	36.5	Very low	87 Å²	87	100.7 Å²	100.7	90%	0.897	61%	0.609	S	S	*	*			trans	-74.3	61.2	167.9	0	0	0	0	0	112.4
419	L	29	Very low	35.8	Very low	131 Å²	131	104.5 Å²	104.5	69%	0.686	63%	0.626	S	S	*	*			trans	-110.5	109.9	167.3	-89.3	85.9	0	0	0	110.3	V417 C421	V417-L419 HydrophobicContact CG1-CB 4.07Å; V417-L419 HydrophobicContact CG1-CD1 3.56Å; V417-L419 HydrophobicContact CG1-CG 4.39Å; V417-L419 PolarHBondContact O-N 3.36Å; L419-C421 PolarHBondContact O-N 2.99Å
420	S	25.7	Very low	36.3	Very low	117 Å²	117	106.8 Å²	106.8	82%	0.818	64%	0.637	S	S	*	*			trans	-68	90.1	160.3	47.4	0	0	0	0	110	S422	S420-S422 PolarHBondContact O-N 3.34Å
421	C	27.3	Very low	37	Very low	98 Å²	98	110.6 Å²	110.6	66%	0.662	66%	0.655	S	S	*	*			trans	-89.9	84.2	172.4	50.7	0	0	0	0	111.7	L419 S423	L419-C421 PolarHBondContact O-N 2.99Å; C421-S423 PolarHBondContact O-N 3.38Å
422	S	29.1	Very low	38.4	Very low	127 Å²	127	113 Å²	113	89%	0.888	66%	0.658	S	S	*	*			trans	-73.5	57.3	172.9	-38.3	0	0	0	0	112.3	S420	S420-S422 PolarHBondContact O-N 3.34Å
423	S	36.6	Very low	39.6	Very low	63 Å²	63	108.8 Å²	108.8	44%	0.441	63%	0.634	S	S	.	*			trans	-126.8	118.8	179.2	54.9	0	0	0	0	111	C421 S425 G426	C421-S423 PolarHBondContact O-N 3.38Å; S423-S425 VanDerWaalsContact C-N 3.27Å; S423-S425 PolarHBondContact O-N 3.37Å; S423-S425 VanDerWaalsContact O-N 3.15Å; S423-G426 PolarHBondContact O-N 3.32Å
424	S	42.8	Very low	41.5	Very low	107 Å²	107	108.5 Å²	108.5	75%	0.748	63%	0.628	S	S	*	*	H	α-helix	trans	-53.2	-35.9	-171.7	42.3	0	0	0	0	114.8	G426 M427	S424-G426 PolarHBondContact O-N 3.16Å; S424-M427 WeakPolarHBondContact O-CB 3.45Å; S424-M427 PolarHBondContact O-N 2.81Å; S424-M427 VanDerWaalsContact O-N 3.1Å
425	S	41.4	Very low	43.7	Very low	74 Å²	74	108.4 Å²	108.4	52%	0.517	62%	0.617	S	S	.	*	H	α-helix	trans	-62.8	-24.2	177	54	0	0	0	0	114.6	S423	S423-S425 VanDerWaalsContact C-N 3.27Å; S423-S425 PolarHBondContact O-N 3.37Å; S423-S425 VanDerWaalsContact O-N 3.15Å
426	G	39.8	Very low	46.4	Very low	27 Å²	27	102.7 Å²	102.7	28%	0.278	59%	0.587	S	S	.	*	H	α-helix	trans	-75.6	-26.4	175	0	0	0	0	0	113.2	S423 S424 N430	S423-G426 PolarHBondContact O-N 3.32Å; S424-G426 PolarHBondContact O-N 3.16Å; G426-N430 WeakPolarHBondContact O-CB 3.46Å; G426-N430 VanDerWaalsContact O-CG 3.22Å; G426-N430 PolarHBondContact O-N 3.38Å; G426-N430 VanDerWaalsContact O-N 3.16Å; G426-N430 PolarHBondContact O-ND2 2.95Å
427	M	42.3	Very low	48.6	Very low	152 Å²	152	94.3 Å²	94.3	75%	0.749	56%	0.559	S	S	*	*	H	α-helix	trans	-74.2	-42.3	-177.9	-122	174.7	173.2	0	0	111.9	S424 N430 M431	S424-M427 WeakPolarHBondContact O-CB 3.45Å; S424-M427 PolarHBondContact O-N 2.81Å; S424-M427 VanDerWaalsContact O-N 3.1Å; M427-N430 PolarHBondContact O-N 3.19Å; M427-M431 PolarHBondContact O-N 3.37Å
428	E	47.3	Very low	50.9	Low	152 Å²	152	94 Å²	94	71%	0.71	55%	0.553	S	S	*	*	H	α-helix	trans	-65.4	-44.9	177.3	-67.4	-176.7	152.8	0	0	112.2	N430 M431 H432	E428-N430 VanDerWaalsContact C-N 3.29Å; E428-N430 PolarHBondContact O-N 3.4Å; E428-M431 PolarHBondContact O-N 3.27Å; E428-H432 PolarHBondContact O-N 3.17Å
429	Q	52.6	Low	53.7	Low	140 Å²	140	94.5 Å²	94.5	65%	0.654	53%	0.533	S	S	*	.	H	α-helix	trans	-61	-40.1	175.5	-68.3	-171.7	12.8	0	0	111.3	H432 G433 L515	Q429-H432 PolarHBondContact O-N 2.84Å; Q429-G433 PolarHBondContact O-N 3.19Å; Q429-L515 WeakPolarHBondContact O-CD2 3.36Å
430	N	59	Low	56.5	Low	83 Å²	83	88.5 Å²	88.5	44%	0.444	50%	0.501	S	S	.	.	H	α-helix	trans	-62.4	-40.9	174.7	-79.2	-12.9	0	0	0	113	G426 M427 E428 N434 L515	G426-N430 WeakPolarHBondContact O-CB 3.46Å; G426-N430 VanDerWaalsContact O-CG 3.22Å; G426-N430 PolarHBondContact O-N 3.38Å; G426-N430 VanDerWaalsContact O-N 3.16Å; G426-N430 PolarHBondContact O-ND2 2.95Å; M427-N430 PolarHBondContact O-N 3.19Å; E428-N430 VanDerWaalsContact C-N 3.29Å; E428-N430 PolarHBondContact O-N 3.4Å; N430-N434 WeakPolarHBondContact O-CB 3.43Å; N430-N434 VanDerWaalsContact O-CG 3.29Å; N430-N434 PolarHBondContact O-N 2.96Å; N430-N434 PolarHBondContact O-ND2 3.3Å; N430-L515 HydrophobicContact CB-CD1 4.28Å; N430-L515 VanDerWaalsContact OD1-CD1 3.31Å; N430-L515 WeakPolarHBondContact OD1-CD1 3.18Å; N430-L515 WeakPolarHBondContact OD1-CD2 3.24Å
431	M	57.2	Low	59.3	Low	148 Å²	148	83.4 Å²	83.4	73%	0.729	47%	0.465	S	S	*	.	H	α-helix	trans	-63.9	-48.1	173.6	-104.5	-166.8	74.1	0	0	112.1	M427 E428 N434 Q435	M427-M431 PolarHBondContact O-N 3.37Å; E428-M431 PolarHBondContact O-N 3.27Å; M431-N434 PolarHBondContact O-N 2.8Å; M431-Q435 PolarHBondContact O-N 3.09Å
432	H	66.7	Low	61.9	Low	132 Å²	132	81.3 Å²	81.3	61%	0.611	46%	0.46	S	S	*	.	H	α-helix	trans	-62.1	-49.3	-178	-177.9	71.8	0	0	0	112	E428 Q429 N434 Q435 V436	E428-H432 PolarHBondContact O-N 3.17Å; Q429-H432 PolarHBondContact O-N 2.84Å; H432-N434 VanDerWaalsContact C-N 3.29Å; H432-N434 PolarHBondContact O-N 3.03Å; H432-Q435 WeakPolarHBondContact O-CB 3.3Å; H432-Q435 PolarHBondContact O-N 2.95Å; H432-Q435 VanDerWaalsContact O-N 3.09Å; H432-V436 WeakPolarHBondContact O-CG2 3.45Å; H432-V436 PolarHBondContact O-N 2.61Å
433	G	63.2	Low	64.6	Low	4 Å²	4	78.8 Å²	78.8	4%	0.041	44%	0.435	C	S	.	.	H	α-helix	trans	-67.6	-26.3	-179.7	0	0	0	0	0	114.1	Q429 A437	Q429-G433 PolarHBondContact O-N 3.19Å; G433-A437 PolarHBondContact O-N 3.36Å
434	N	70.8	Confident	67.2	Low	93 Å²	93	75.9 Å²	75.9	50%	0.497	42%	0.415	S	S	.	.	H	α-helix	trans	-72.4	-39.7	168.9	-79.3	-15.8	0	0	0	112	N430 M431 H432 A437 I438	N430-N434 WeakPolarHBondContact O-CB 3.43Å; N430-N434 VanDerWaalsContact O-CG 3.29Å; N430-N434 PolarHBondContact O-N 2.96Å; N430-N434 PolarHBondContact O-ND2 3.3Å; M431-N434 PolarHBondContact O-N 2.8Å; H432-N434 VanDerWaalsContact C-N 3.29Å; H432-N434 PolarHBondContact O-N 3.03Å; N434-A437 WeakPolarHBondContact O-CB 3.16Å; N434-A437 PolarHBondContact O-N 2.77Å; N434-I438 WeakPolarHBondContact O-CG1 3.31Å; N434-I438 PolarHBondContact O-N 2.98Å
435	Q	75.8	Confident	69.2	Low	109 Å²	109	71.5 Å²	71.5	51%	0.509	38%	0.382	S	S	.	.	H	α-helix	trans	-62.6	-43.4	176.4	-175.2	57.3	56	0	0	111.5	M431 H432 A437 I438 E439	M431-Q435 PolarHBondContact O-N 3.09Å; H432-Q435 WeakPolarHBondContact O-CB 3.3Å; H432-Q435 PolarHBondContact O-N 2.95Å; H432-Q435 VanDerWaalsContact O-N 3.09Å; Q435-A437 VanDerWaalsContact C-N 3.31Å; Q435-A437 PolarHBondContact O-N 3.33Å; Q435-I438 PolarHBondContact O-N 3.36Å; Q435-E439 WeakPolarHBondContact O-CB 3.47Å; Q435-E439 PolarHBondContact O-N 3.19Å
436	V	82.9	Confident	71.4	Confident	16 Å²	16	69.2 Å²	69.2	10%	0.097	37%	0.365	C	S	.	.	H	α-helix	trans	-62	-37.9	174	173.7	0	0	0	0	111.5	H432 E439 F440 F512 T514	H432-V436 WeakPolarHBondContact O-CG2 3.45Å; H432-V436 PolarHBondContact O-N 2.61Å; V436-E439 PolarHBondContact O-N 2.96Å; V436-F440 WeakPolarHBondContact O-CB 3.07Å; V436-F440 PolarHBondContact O-N 2.89Å; V436-F512 HydrophobicContact CG1-CB 3.84Å; V436-F512 HydrophobicContact CG1-CD1 4.16Å; V436-T514 HydrophobicContact CG1-CG2 4.42Å
437	A	76.7	Confident	73.6	Confident	19 Å²	19	69.5 Å²	69.5	16%	0.157	36%	0.36	C	S	.	.	H	α-helix	trans	-65.5	-39.6	175.1	0	0	0	0	0	112.4	G433 N434 Q435 S441 T514	G433-A437 PolarHBondContact O-N 3.36Å; N434-A437 WeakPolarHBondContact O-CB 3.16Å; N434-A437 PolarHBondContact O-N 2.77Å; Q435-A437 VanDerWaalsContact C-N 3.31Å; Q435-A437 PolarHBondContact O-N 3.33Å; A437-S441 WeakPolarHBondContact O-CB 3.48Å; A437-S441 PolarHBondContact O-N 3.26Å; A437-S441 PolarHBondContact O-OG 3.23Å; A437-T514 HydrophobicContact CB-CG2 3.68Å
438	I	75.7	Confident	75.3	Confident	95 Å²	95	66.4 Å²	66.4	49%	0.487	34%	0.344	S	S	.	.	H	α-helix	trans	-66.3	-45	175.9	-68.3	164.3	0	0	0	110.7	N434 Q435 S441 G442	N434-I438 WeakPolarHBondContact O-CG1 3.31Å; N434-I438 PolarHBondContact O-N 2.98Å; Q435-I438 PolarHBondContact O-N 3.36Å; I438-S441 PolarHBondContact O-N 2.78Å; I438-G442 PolarHBondContact O-N 2.9Å
439	E	85	Confident	76.7	Confident	98 Å²	98	63.7 Å²	63.7	46%	0.458	33%	0.331	S	S	.	.	H	α-helix	trans	-59.8	-52.4	177.4	-177.3	177.3	-164.3	0	0	111.6	Q435 V436 S441 G442 M443 F512	Q435-E439 WeakPolarHBondContact O-CB 3.47Å; Q435-E439 PolarHBondContact O-N 3.19Å; V436-E439 PolarHBondContact O-N 2.96Å; E439-S441 VanDerWaalsContact C-N 3.29Å; E439-S441 PolarHBondContact O-N 2.95Å; E439-G442 PolarHBondContact O-N 3.22Å; E439-G442 VanDerWaalsContact O-N 3.08Å; E439-M443 HydrophobicContact CG-SD 4.37Å; E439-M443 PolarHBondContact O-N 2.91Å; E439-F512 HydrophobicContact CG-CE1 4.12Å
440	F	89.4	Confident	77.9	Confident	4 Å²	4	59.3 Å²	59.3	2%	0.018	31%	0.311	C	S	.	.	H	α-helix	trans	-53.1	-47.2	174	171.4	-103.8	0	0	0	111.7	V436 G442 M443 F444 V446 I474 F512 F519 V521	V436-F440 WeakPolarHBondContact O-CB 3.07Å; V436-F440 PolarHBondContact O-N 2.89Å; F440-G442 VanDerWaalsContact C-N 3.28Å; F440-G442 PolarHBondContact O-N 3.45Å; F440-M443 PolarHBondContact O-N 2.86Å; F440-F444 HydrophobicContact CD2-CB 4.15Å; F440-F444 HydrophobicContact CD2-CD2 4.14Å; F440-F444 HydrophobicContact CE2-CB 3.77Å; F440-F444 HydrophobicContact CE2-CD2 4.31Å; F440-F444 HydrophobicContact CE2-CG 4.31Å; F440-F444 HydrophobicContact CZ-CB 4.22Å; F440-F444 PolarHBondContact O-N 3.47Å; F440-V446 HydrophobicContact CE1-CG2 3.99Å; F440-V446 HydrophobicContact CZ-CG2 3.68Å; F440-I474 HydrophobicContact CE2-CD1 4.37Å; F440-I474 HydrophobicContact CE2-CG2 4.35Å; F440-I474 HydrophobicContact CZ-CD1 4.19Å; F440-I474 HydrophobicContact CZ-CG2 4.18Å; F440-F512 HydrophobicContact CB-CB 4.19Å; F440-F512 HydrophobicContact CB-CD1 3.98Å; F440-F512 HydrophobicContact CB-CD2 4.31Å; F440-F512 HydrophobicContact CB-CE1 4.45Å; F440-F512 HydrophobicContact CB-CG 3.91Å; F440-F512 HydrophobicContact CD2-CB 4.34Å; F440-F512 AromaticContact CD2-CD2 3.53Å; F440-F512 HydrophobicContact CD2-CD2 3.53Å; F440-F512 AromaticContact CD2-CE2 3.93Å; F440-F512 HydrophobicContact CD2-CE2 3.93Å; F440-F512 AromaticContact CD2-CG 3.95Å; F440-F512 HydrophobicContact CD2-CG 3.95Å; F440-F512 HydrophobicContact CE2-CD2 4.36Å; F440-F512 HydrophobicContact CG-CD2 4.35Å; F440-F512 HydrophobicContact CG-CG 4.34Å; F440-F519 HydrophobicContact CD1-CD1 4.26Å; F440-F519 HydrophobicContact CD1-CD2 4.35Å; F440-F519 HydrophobicContact CD1-CE1 4.3Å; F440-F519 HydrophobicContact CD1-CE2 4.39Å; F440-F519 HydrophobicContact CD1-CG 4.29Å; F440-F519 HydrophobicContact CD1-CZ 4.36Å; F440-F519 HydrophobicContact CD2-CB 4.16Å; F440-F519 HydrophobicContact CD2-CG 4.3Å; F440-F519 AromaticContact CE1-CD1 3.54Å; F440-F519 HydrophobicContact CE1-CD1 3.54Å; F440-F519 HydrophobicContact CE1-CD2 4.42Å; F440-F519 AromaticContact CE1-CE1 3.58Å; F440-F519 HydrophobicContact CE1-CE1 3.58Å; F440-F519 HydrophobicContact CE1-CE2 4.45Å; F440-F519 AromaticContact CE1-CG 3.99Å; F440-F519 HydrophobicContact CE1-CG 3.99Å; F440-F519 HydrophobicContact CE1-CZ 4.06Å; F440-F519 HydrophobicContact CE2-CB 3.83Å; F440-F519 AromaticContact CE2-CD1 3.99Å; F440-F519 HydrophobicContact CE2-CD1 3.99Å; F440-F519 AromaticContact CE2-CG 3.99Å; F440-F519 HydrophobicContact CE2-CG 3.99Å; F440-F519 HydrophobicContact CG-CG 4.44Å; F440-F519 HydrophobicContact CZ-CB 4.13Å; F440-F519 AromaticContact CZ-CD1 3.38Å; F440-F519 HydrophobicContact CZ-CD1 3.38Å; F440-F519 AromaticContact CZ-CE1 3.89Å; F440-F519 HydrophobicContact CZ-CE1 3.89Å; F440-F519 AromaticContact CZ-CG 3.82Å; F440-F519 HydrophobicContact CZ-CG 3.82Å; F440-V521 HydrophobicContact CE2-CG2 4.15Å
441	S	83.8	Confident	79.1	Confident	10 Å²	10	58.3 Å²	58.3	7%	0.07	30%	0.303	C	S	.	.	H	α-helix	trans	-68	-26.9	-178.9	-53.6	0	0	0	0	113.3	P409 A437 I438 E439 R466	P409-S441 WeakPolarHBondContact CD-OG 3.23Å; A437-S441 WeakPolarHBondContact O-CB 3.48Å; A437-S441 PolarHBondContact O-N 3.26Å; A437-S441 PolarHBondContact O-OG 3.23Å; I438-S441 PolarHBondContact O-N 2.78Å; E439-S441 VanDerWaalsContact C-N 3.29Å; E439-S441 PolarHBondContact O-N 2.95Å; S441-R466 PolarHBondContact O-NE 2.92Å
442	G	80.7	Confident	80.1	Confident	54 Å²	54	53.4 Å²	53.4	56%	0.557	28%	0.28	S	S	*	.	H	α-helix	trans	-78	-30.7	175.4	0	0	0	0	0	113.5	I438 E439 F440	I438-G442 PolarHBondContact O-N 2.9Å; E439-G442 PolarHBondContact O-N 3.22Å; E439-G442 VanDerWaalsContact O-N 3.08Å; F440-G442 VanDerWaalsContact C-N 3.28Å; F440-G442 PolarHBondContact O-N 3.45Å
443	M	87.5	Confident	80.4	Confident	74 Å²	74	47.6 Å²	47.6	37%	0.365	26%	0.256	S	S	.	.	H	α-helix	trans	-92.1	-39.1	179.6	-66.6	-176.2	69.9	0	0	113.4	E439 F440 H465 R466 F512	E439-M443 HydrophobicContact CG-SD 4.37Å; E439-M443 PolarHBondContact O-N 2.91Å; F440-M443 PolarHBondContact O-N 2.86Å; M443-H465 CarbonylContact O-C 3.6Å; M443-H465 WeakPolarHBondContact O-CA 3.05Å; M443-H465 PolarHBondContact O-CD2 2.98Å; M443-H465 VanDerWaalsContact O-CD2 3.25Å; M443-R466 PolarHBondContact O-N 2.91Å; M443-F512 HydrophobicContact SD-CZ 4.19Å
444	F	89.7	Confident	80.6	Confident	3 Å²	3	49.1 Å²	49.1	1%	0.013	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	159.2	-170.1	-63.2	-79.8	0	0	0	112.3	F440 V464 H465 R466 V472 I474 A510 F512 V521	F440-F444 HydrophobicContact CD2-CB 4.15Å; F440-F444 HydrophobicContact CD2-CD2 4.14Å; F440-F444 HydrophobicContact CE2-CB 3.77Å; F440-F444 HydrophobicContact CE2-CD2 4.31Å; F440-F444 HydrophobicContact CE2-CG 4.31Å; F440-F444 HydrophobicContact CZ-CB 4.22Å; F440-F444 PolarHBondContact O-N 3.47Å; F444-V464 CarbonylContact C-O 3.6Å; F444-V464 WeakPolarHBondContact CA-O 3.42Å; F444-H465 HydrophobicContact CD1-CB 3.96Å; F444-H465 AromaticContact CD1-CD2 3.91Å; F444-H465 HydrophobicContact CE1-CB 3.76Å; F444-H465 AromaticContact CE1-CD2 3.42Å; F444-H465 VanDerWaalsContact CE1-CD2 3.42Å; F444-H465 WeakPolarHBondContact CE1-CD2 3.48Å; F444-H465 AromaticContact CE1-CG 3.9Å; F444-H465 AromaticContact CZ-CD2 3.61Å; F444-R466 PolarHBondContact O-NE 2.89Å; F444-V472 HydrophobicContact CD1-CG2 4.12Å; F444-V472 HydrophobicContact CE1-CG1 4.32Å; F444-I474 HydrophobicContact CB-CD1 4.31Å; F444-A510 HydrophobicContact CE2-CB 4.49Å; F444-F512 AromaticContact CD2-CE2 3.85Å; F444-F512 HydrophobicContact CD2-CE2 3.85Å; F444-F512 HydrophobicContact CD2-CZ 4.16Å; F444-F512 AromaticContact CE2-CE2 3.66Å; F444-F512 HydrophobicContact CE2-CE2 3.66Å; F444-F512 AromaticContact CE2-CZ 3.88Å; F444-F512 HydrophobicContact CE2-CZ 3.88Å; F444-V521 HydrophobicContact CD1-CG1 4.03Å; F444-V521 HydrophobicContact CD2-CG2 4.33Å; F444-V521 HydrophobicContact CE1-CG1 3.64Å; F444-V521 HydrophobicContact CE2-CG2 4.37Å; F444-V521 HydrophobicContact CG-CG2 4.46Å; F444-V521 HydrophobicContact CZ-CG1 3.98Å
445	Q	86.4	Confident	80.1	Confident	14 Å²	14	46.8 Å²	46.8	7%	0.065	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	136.7	167.8	-178.4	165	-32.9	0	0	110.7	F328 G463 V464 R466	F328-Q445 PolarHBondContact O-OE1 3.09Å; Q445-G463 CarbonylContact O-C 3.22Å; Q445-G463 WeakPolarHBondContact O-CA 3.18Å; Q445-V464 PolarHBondContact N-O 3.09Å; Q445-V464 PolarHBondContact O-N 2.96Å; Q445-R466 VanDerWaalsContact OE1-CZ 3.32Å
446	V	87.5	Confident	79.3	Confident	27 Å²	27	44.4 Å²	44.4	16%	0.164	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	124.4	171.3	-173.9	0	0	0	0	109.6	F440 Q448 Y461 I474 V476 F519	F440-V446 HydrophobicContact CE1-CG2 3.99Å; F440-V446 HydrophobicContact CZ-CG2 3.68Å; V446-Q448 HydrophobicContact CG1-CG 4.24Å; V446-Q448 PolarHBondContact O-N 3.2Å; V446-Y461 HydrophobicContact CG1-CD2 3.76Å; V446-Y461 HydrophobicContact CG1-CG 3.78Å; V446-I474 HydrophobicContact CG2-CD1 4Å; V446-I474 HydrophobicContact CG2-CG2 4.24Å; V446-V476 HydrophobicContact CG1-CG2 4.33Å; V446-V476 HydrophobicContact CG2-CG2 4.43Å; V446-F519 HydrophobicContact CG2-CD1 4.47Å; V446-F519 HydrophobicContact CG2-CE1 4.34Å
447	N	85	Confident	78.4	Confident	32 Å²	32	44 Å²	44	17%	0.171	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	88	172.9	-60.7	-18.8	0	0	0	108.9	H449 E450 G462	N447-H449 PolarHBondContact O-N 3.01Å; N447-E450 HydrophobicContact CB-CB 3.87Å; N447-E450 PolarHBondContact ND2-OE2 2.94Å; N447-E450 PolarHBondContact O-N 2.9Å; N447-G462 WeakPolarHBondContact CA-O 3.38Å; N447-G462 VanDerWaalsContact CB-O 3.31Å; N447-G462 WeakPolarHBondContact CB-O 3.25Å; N447-G462 PolarHBondContact N-O 3.36Å
448	Q	78.6	Confident	78.3	Confident	87 Å²	87	43.5 Å²	43.5	41%	0.407	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	-11.7	-173.5	-67.4	178.1	11.1	0	0	115.4	V446 Y461	V446-Q448 HydrophobicContact CG1-CG 4.24Å; V446-Q448 PolarHBondContact O-N 3.2Å; Q448-Y461 WeakPolarHBondContact O-CE1 3.05Å
449	H	75.5	Confident	78.5	Confident	96 Å²	96	40.1 Å²	40.1	44%	0.444	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-9	179.4	-35.3	-47.7	0	0	0	112	T307 N447	T307-H449 WeakPolarHBondContact CB-CE1 3.47Å; T307-H449 VanDerWaalsContact CB-NE2 3.32Å; T307-H449 WeakPolarHBondContact CB-NE2 3.36Å; T307-H449 PolarHBondContact O-NE2 2.81Å; T307-H449 PolarHBondContact OG1-CE1 3.04Å; T307-H449 PolarHBondContact OG1-ND1 2.83Å; T307-H449 PolarHBondContact OG1-NE2 2.97Å; N447-H449 PolarHBondContact O-N 3.01Å
450	E	79.4	Confident	78.6	Confident	48 Å²	48	37 Å²	37	22%	0.224	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	59.6	178.6	-165.4	-179.5	-175.2	0	0	107.9	N447 L452 Y461 G462 K524	N447-E450 HydrophobicContact CB-CB 3.87Å; N447-E450 PolarHBondContact ND2-OE2 2.94Å; N447-E450 PolarHBondContact O-N 2.9Å; E450-L452 HydrophobicContact CG-CD2 4.12Å; E450-L452 PolarHBondContact O-N 2.8Å; E450-Y461 CarbonylContact O-C 3.42Å; E450-Y461 WeakPolarHBondContact O-CA 3.27Å; E450-G462 PolarHBondContact O-N 3.23Å; E450-K524 IonicContact OE1-NZ 3.33Å; E450-K524 PolarHBondContact OE1-NZ 3.19Å
451	E	83.4	Confident	78.5	Confident	61 Å²	61	39 Å²	39	29%	0.285	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	120.4	170.5	-175.6	166.5	148.9	0	0	109	S454 T459 Y461	E451-S454 WeakPolarHBondContact OE1-CB 3.49Å; E451-S454 PolarHBondContact OE1-OG 2.91Å; E451-T459 HydrophobicContact CG-CG2 3.58Å; E451-T459 WeakPolarHBondContact OE2-CG2 3.42Å; E451-Y461 HydrophobicContact CB-CD1 4.23Å; E451-Y461 HydrophobicContact CB-CE1 4.15Å
452	L	79.4	Confident	78.8	Confident	45 Å²	45	38.5 Å²	38.5	24%	0.236	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	-15.3	177.9	-55.7	179.3	0	0	0	111.8	A270 S271 E450 V460 A473 K524	A270-L452 CarbonylContact C-O 3.45Å; A270-L452 VanDerWaalsContact C-O 3.3Å; A270-L452 CarbonylContact O-C 3.59Å; A270-L452 VanDerWaalsContact O-O 3.09Å; S271-L452 WeakPolarHBondContact CA-O 3.44Å; S271-L452 PolarHBondContact N-O 2.9Å; E450-L452 HydrophobicContact CG-CD2 4.12Å; E450-L452 PolarHBondContact O-N 2.8Å; L452-V460 HydrophobicContact CB-CB 4.45Å; L452-V460 HydrophobicContact CB-CG1 4.2Å; L452-V460 HydrophobicContact CD1-CG1 4.34Å; L452-V460 PolarHBondContact N-O 2.88Å; L452-A473 HydrophobicContact CD1-CB 4.01Å; L452-K524 HydrophobicContact CD1-CG 4.21Å
453	G	72.3	Confident	79.3	Confident	10 Å²	10	36 Å²	36	10%	0.103	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.6	153.7	171.8	0	0	0	0	0	111.8	A270 V460	A270-G453 PolarHBondContact O-N 2.84Å; G453-V460 PolarHBondContact N-O 3.31Å; G453-V460 PolarHBondContact O-N 2.69Å
454	S	67.9	Low	79.4	Confident	37 Å²	37	33.2 Å²	33.2	26%	0.259	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	145.5	171.9	37.1	0	0	0	0	111.7	G268 E451	G268-S454 CarbonylContact C-O 3.59Å; G268-S454 PolarHBondContact O-N 3.38Å; G268-S454 PolarHBondContact O-OG 3.1Å; E451-S454 WeakPolarHBondContact OE1-CB 3.49Å; E451-S454 PolarHBondContact OE1-OG 2.91Å
455	G	60.1	Low	79.4	Confident	44 Å²	44	34.3 Å²	34.3	45%	0.454	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	-179.9	-178.7	0	0	0	0	0	112	F457 G458	G455-F457 PolarHBondContact O-N 2.91Å; G455-G458 PolarHBondContact N-O 3.07Å; G455-G458 PolarHBondContact O-N 2.71Å; G455-G458 VanDerWaalsContact O-N 3.14Å; G455-G458 VanDerWaalsContact O-O 3.11Å
456	Q	59.2	Low	79.4	Confident	58 Å²	58	34.4 Å²	34.4	27%	0.271	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-39.2	-179.4	178.5	179.6	-2.8	0	0	112.8	F97 Y594	F97-Q456 HydrophobicContact CD2-CG 4.39Å; F97-Q456 VanDerWaalsContact CE2-CD 3.5Å; Q456-Y594 PolarHBondContact OE1-OH 3.43Å
457	F	63.8	Low	79.2	Confident	9 Å²	9	36.9 Å²	36.9	4%	0.039	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-10	-175.5	-54.2	-67.3	0	0	0	113.7	G455 I477 F482 Q489 Y594	G455-F457 PolarHBondContact O-N 2.91Å; F457-I477 VanDerWaalsContact O-CG1 3.27Å; F457-I477 WeakPolarHBondContact O-CG1 3.43Å; F457-I477 VanDerWaalsContact O-CG2 3.31Å; F457-I477 WeakPolarHBondContact O-CG2 3.42Å; F457-F482 HydrophobicContact CD1-CE1 4.46Å; F457-F482 VanDerWaalsContact O-CZ 3.3Å; F457-F482 WeakPolarHBondContact O-CZ 3.48Å; F457-Q489 HydrophobicContact CE1-CB 4.33Å; F457-Y594 HydrophobicContact CE2-CE2 4.41Å
458	G	73.2	Confident	79.4	Confident	7 Å²	7	38.7 Å²	38.7	7%	0.072	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	149.7	-167.9	-179.4	0	0	0	0	0	113.6	G455 V476	G455-G458 PolarHBondContact N-O 3.07Å; G455-G458 PolarHBondContact O-N 2.71Å; G455-G458 VanDerWaalsContact O-N 3.14Å; G455-G458 VanDerWaalsContact O-O 3.11Å; G458-V476 WeakPolarHBondContact CA-O 3.34Å
459	T	80.8	Confident	79.5	Confident	24 Å²	24	36.6 Å²	36.6	15%	0.147	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	129.6	179.8	-56.1	0	0	0	0	110.1	E451 Y461 V476	E451-T459 HydrophobicContact CG-CG2 3.58Å; E451-T459 WeakPolarHBondContact OE2-CG2 3.42Å; T459-Y461 HydrophobicContact CG2-CD1 4.35Å; T459-Y461 HydrophobicContact CG2-CD2 4.18Å; T459-Y461 HydrophobicContact CG2-CE1 3.77Å; T459-Y461 HydrophobicContact CG2-CE2 3.59Å; T459-Y461 WeakPolarHBondContact CG2-OH 3.48Å; T459-V476 PolarHBondContact N-O 3.23Å; T459-V476 PolarHBondContact O-N 3.48Å
460	V	87.2	Confident	80.3	Confident	33 Å²	33	37.1 Å²	37.1	20%	0.2	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	123.4	173.3	-170.7	0	0	0	0	108.7	L452 G453 A473 I474 K475	L452-V460 HydrophobicContact CB-CB 4.45Å; L452-V460 HydrophobicContact CB-CG1 4.2Å; L452-V460 HydrophobicContact CD1-CG1 4.34Å; L452-V460 PolarHBondContact N-O 2.88Å; G453-V460 PolarHBondContact N-O 3.31Å; G453-V460 PolarHBondContact O-N 2.69Å; V460-A473 HydrophobicContact CG1-CB 4.08Å; V460-I474 WeakPolarHBondContact CA-O 3.17Å; V460-K475 HydrophobicContact CG2-CB 4.03Å; V460-K475 HydrophobicContact CG2-CD 4.42Å; V460-K475 HydrophobicContact CG2-CG 3.91Å
461	Y	88.2	Confident	80.9	Confident	45 Å²	45	41.8 Å²	41.8	18%	0.176	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	153.9	174.7	-63.4	-79	0	0	0	110.7	V446 Q448 E450 E451 T459 A473 I474 V476	V446-Y461 HydrophobicContact CG1-CD2 3.76Å; V446-Y461 HydrophobicContact CG1-CG 3.78Å; Q448-Y461 WeakPolarHBondContact O-CE1 3.05Å; E450-Y461 CarbonylContact O-C 3.42Å; E450-Y461 WeakPolarHBondContact O-CA 3.27Å; E451-Y461 HydrophobicContact CB-CD1 4.23Å; E451-Y461 HydrophobicContact CB-CE1 4.15Å; T459-Y461 HydrophobicContact CG2-CD1 4.35Å; T459-Y461 HydrophobicContact CG2-CD2 4.18Å; T459-Y461 HydrophobicContact CG2-CE1 3.77Å; T459-Y461 HydrophobicContact CG2-CE2 3.59Å; T459-Y461 WeakPolarHBondContact CG2-OH 3.48Å; Y461-A473 CarbonylContact O-C 3.58Å; Y461-A473 WeakPolarHBondContact O-CA 3.45Å; Y461-I474 PolarHBondContact N-O 2.92Å; Y461-I474 PolarHBondContact O-N 2.64Å; Y461-V476 HydrophobicContact CD2-CB 4.25Å; Y461-V476 HydrophobicContact CD2-CG2 3.76Å; Y461-V476 HydrophobicContact CE2-CB 4.21Å; Y461-V476 HydrophobicContact CE2-CG2 4.16Å
462	G	89.3	Confident	81.5	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	151.4	158.2	0	0	0	0	0	110.2	N447 E450	N447-G462 WeakPolarHBondContact CA-O 3.38Å; N447-G462 VanDerWaalsContact CB-O 3.31Å; N447-G462 WeakPolarHBondContact CB-O 3.25Å; N447-G462 PolarHBondContact N-O 3.36Å; E450-G462 PolarHBondContact O-N 3.23Å
463	G	91.2	Very high	82.2	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	176.1	177.2	0	0	0	0	0	112.1	Q445 R471 V472	Q445-G463 CarbonylContact O-C 3.22Å; Q445-G463 WeakPolarHBondContact O-CA 3.18Å; G463-R471 WeakPolarHBondContact O-CA 3.4Å; G463-V472 VanDerWaalsContact C-CG2 3.46Å; G463-V472 PolarHBondContact N-O 3.12Å; G463-V472 PolarHBondContact O-N 2.96Å
464	V	89.3	Confident	83.2	Confident	16 Å²	16	36.7 Å²	36.7	10%	0.097	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	131.8	-178.8	-176.3	0	0	0	0	109.5	F444 Q445 R466 R470	F444-V464 CarbonylContact C-O 3.6Å; F444-V464 WeakPolarHBondContact CA-O 3.42Å; Q445-V464 PolarHBondContact N-O 3.09Å; Q445-V464 PolarHBondContact O-N 2.96Å; V464-R466 PolarHBondContact O-N 3.21Å; V464-R470 WeakPolarHBondContact CA-O 3.45Å
465	H	89.9	Confident	84.2	Confident	26 Å²	26	35.4 Å²	35.4	12%	0.12	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	110.9	165.2	-179.6	-117.1	0	0	0	109	M443 F444 S467 S468 G469 R470	M443-H465 CarbonylContact O-C 3.6Å; M443-H465 WeakPolarHBondContact O-CA 3.05Å; M443-H465 PolarHBondContact O-CD2 2.98Å; M443-H465 VanDerWaalsContact O-CD2 3.25Å; F444-H465 HydrophobicContact CD1-CB 3.96Å; F444-H465 AromaticContact CD1-CD2 3.91Å; F444-H465 HydrophobicContact CE1-CB 3.76Å; F444-H465 AromaticContact CE1-CD2 3.42Å; F444-H465 VanDerWaalsContact CE1-CD2 3.42Å; F444-H465 WeakPolarHBondContact CE1-CD2 3.48Å; F444-H465 AromaticContact CE1-CG 3.9Å; F444-H465 AromaticContact CZ-CD2 3.61Å; H465-S467 VanDerWaalsContact C-N 3.3Å; H465-S467 PolarHBondContact CE1-OG 2.99Å; H465-S467 PolarHBondContact ND1-OG 2.86Å; H465-S467 PolarHBondContact O-N 2.89Å; H465-S468 PolarHBondContact ND1-OG 2.87Å; H465-S468 PolarHBondContact O-N 3.33Å; H465-G469 WeakPolarHBondContact O-CA 3.47Å; H465-G469 PolarHBondContact O-N 3.38Å; H465-R470 PolarHBondContact N-O 3.14Å
466	R	85.3	Confident	85.5	Confident	16 Å²	16	33.9 Å²	33.9	6%	0.06	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-33.9	-163.9	-68.4	-169.9	-177.6	-79.2	-4.2	114.4	I331 L407 S441 M443 F444 Q445 V464	I331-R466 PolarHBondContact O-NH1 2.88Å; L407-R466 PolarHBondContact O-NH2 3.28Å; S441-R466 PolarHBondContact O-NE 2.92Å; M443-R466 PolarHBondContact O-N 2.91Å; F444-R466 PolarHBondContact O-NE 2.89Å; Q445-R466 VanDerWaalsContact OE1-CZ 3.32Å; V464-R466 PolarHBondContact O-N 3.21Å
467	S	84.9	Confident	86.6	Confident	79 Å²	79	31.2 Å²	31.2	55%	0.552	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-32.7	-175	62	0	0	0	0	113.2	H465	H465-S467 VanDerWaalsContact C-N 3.3Å; H465-S467 PolarHBondContact CE1-OG 2.99Å; H465-S467 PolarHBondContact ND1-OG 2.86Å; H465-S467 PolarHBondContact O-N 2.89Å
468	S	88.2	Confident	87.3	Confident	71 Å²	71	32.8 Å²	32.8	50%	0.497	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104	-13.9	-179.4	66.2	0	0	0	0	114.6	H465 R470	H465-S468 PolarHBondContact ND1-OG 2.87Å; H465-S468 PolarHBondContact O-N 3.33Å; S468-R470 PolarHBondContact O-N 2.87Å; S468-R470 WeakPolarHBondContact OG-CB 3.31Å; S468-R470 PolarHBondContact OG-N 3.09Å
469	G	81.9	Confident	87.5	Confident	42 Å²	42	34.6 Å²	34.6	43%	0.433	18%	0.184	S	C	.	.			trans	70.1	4.2	-172.7	0	0	0	0	0	114.4	H465	H465-G469 WeakPolarHBondContact O-CA 3.47Å; H465-G469 PolarHBondContact O-N 3.38Å
470	R	91.4	Very high	87	Confident	108 Å²	108	38.7 Å²	38.7	41%	0.408	21%	0.214	S	C	.	.			trans	-67.1	134.4	-178.8	-178.8	166.6	53.7	68	4.4	110.5	V464 H465 S468 E509	V464-R470 WeakPolarHBondContact CA-O 3.45Å; H465-R470 PolarHBondContact N-O 3.14Å; S468-R470 PolarHBondContact O-N 2.87Å; S468-R470 WeakPolarHBondContact OG-CB 3.31Å; S468-R470 PolarHBondContact OG-N 3.09Å; R470-E509 IonicContact CZ-OE1 2.64Å; R470-E509 IonicContact CZ-OE2 2.72Å; R470-E509 IonicContact NH1-OE1 3.47Å; R470-E509 IonicContact NH1-OE2 3.09Å; R470-E509 PolarHBondContact NH1-OE2 3.38Å; R470-E509 IonicContact NH2-OE1 2.86Å; R470-E509 PolarHBondContact NH2-OE1 3.08Å; R470-E509 IonicContact NH2-OE2 3.65Å; R470-E509 PolarHBondContact NH2-OE2 3.22Å; R470-E509 VanDerWaalsContact NH2-OE2 3.07Å
471	R	92.1	Very high	86	Confident	146 Å²	146	44.1 Å²	44.1	55%	0.551	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-70.7	139.4	174.2	-60.6	-163.9	-68.2	-141.1	6	110.5	G463 K524	G463-R471 WeakPolarHBondContact O-CA 3.4Å; R471-K524 HydrophobicContact CB-CB 4.3Å; R471-K524 HydrophobicContact CB-CD 4.07Å
472	V	95.3	Very high	84.9	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	162	177.2	-68.4	0	0	0	0	110.1	F444 G463 I474 E509 V521 M522	F444-V472 HydrophobicContact CD1-CG2 4.12Å; F444-V472 HydrophobicContact CE1-CG1 4.32Å; G463-V472 VanDerWaalsContact C-CG2 3.46Å; G463-V472 PolarHBondContact N-O 3.12Å; G463-V472 PolarHBondContact O-N 2.96Å; V472-I474 HydrophobicContact CG2-CD1 3.94Å; V472-I474 HydrophobicContact CG2-CG1 3.89Å; V472-E509 WeakPolarHBondContact CG1-OE2 3.44Å; V472-V521 HydrophobicContact CB-CG1 3.97Å; V472-V521 HydrophobicContact CG1-CG1 4.09Å; V472-V521 HydrophobicContact CG2-CG1 4.17Å; V472-M522 WeakPolarHBondContact CB-O 3.26Å
473	A	94.7	Very high	83.6	Confident	9 Å²	9	45.8 Å²	45.8	7%	0.074	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	135.9	165.5	0	0	0	0	0	108.8	L452 V460 Y461 M522 K524	L452-A473 HydrophobicContact CD1-CB 4.01Å; V460-A473 HydrophobicContact CG1-CB 4.08Å; Y461-A473 CarbonylContact O-C 3.58Å; Y461-A473 WeakPolarHBondContact O-CA 3.45Å; A473-M522 PolarHBondContact N-O 3.35Å; A473-M522 PolarHBondContact O-N 3.48Å; A473-K524 HydrophobicContact CB-CG 4.5Å
474	I	93.2	Very high	82.2	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	106.5	-175.9	-52.4	178.9	0	0	0	109.2	F440 F444 V446 V460 Y461 V472 V476 F519 V520 V521	F440-I474 HydrophobicContact CE2-CD1 4.37Å; F440-I474 HydrophobicContact CE2-CG2 4.35Å; F440-I474 HydrophobicContact CZ-CD1 4.19Å; F440-I474 HydrophobicContact CZ-CG2 4.18Å; F444-I474 HydrophobicContact CB-CD1 4.31Å; V446-I474 HydrophobicContact CG2-CD1 4Å; V446-I474 HydrophobicContact CG2-CG2 4.24Å; V460-I474 WeakPolarHBondContact CA-O 3.17Å; Y461-I474 PolarHBondContact N-O 2.92Å; Y461-I474 PolarHBondContact O-N 2.64Å; V472-I474 HydrophobicContact CG2-CD1 3.94Å; V472-I474 HydrophobicContact CG2-CG1 3.89Å; I474-V476 HydrophobicContact CG2-CG2 4.05Å; I474-V476 PolarHBondContact O-N 3.01Å; I474-F519 HydrophobicContact CG2-CB 4.27Å; I474-F519 HydrophobicContact CG2-CD1 4.07Å; I474-V520 CarbonylContact C-O 3.51Å; I474-V520 WeakPolarHBondContact CA-O 3.41Å; I474-V521 HydrophobicContact CG1-CG1 4.46Å; I474-V521 HydrophobicContact CG1-CG2 4.42Å
475	K	89.3	Confident	80.8	Confident	10 Å²	10	63 Å²	63	4%	0.043	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	110.3	172.5	-166.5	173.6	176.8	179.1	0	107.9	V460 I477 E493 F519 V520 M522 D591	V460-K475 HydrophobicContact CG2-CB 4.03Å; V460-K475 HydrophobicContact CG2-CD 4.42Å; V460-K475 HydrophobicContact CG2-CG 3.91Å; K475-I477 HydrophobicContact CD-CD1 4.18Å; K475-I477 HydrophobicContact CG-CD1 3.97Å; K475-I477 HydrophobicContact CG-CG1 4.03Å; K475-E493 IonicContact NZ-OE1 3.87Å; K475-E493 PolarHBondContact NZ-OE1 2.82Å; K475-E493 IonicContact NZ-OE2 3.85Å; K475-E493 PolarHBondContact NZ-OE2 2.82Å; K475-F519 WeakPolarHBondContact O-CA 3.48Å; K475-V520 HydrophobicContact CB-CB 4.15Å; K475-V520 PolarHBondContact N-O 3.28Å; K475-V520 PolarHBondContact O-N 3.18Å; K475-M522 HydrophobicContact CB-CE 3.95Å; K475-D591 IonicContact NZ-OD1 3.79Å; K475-D591 PolarHBondContact NZ-OD1 3.39Å
476	V	87.7	Confident	79.6	Confident	12 Å²	12	63.4 Å²	63.4	7%	0.073	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	119.7	-178.7	-176.8	0	0	0	0	109.4	V446 G458 T459 Y461 I474 F519	V446-V476 HydrophobicContact CG1-CG2 4.33Å; V446-V476 HydrophobicContact CG2-CG2 4.43Å; G458-V476 WeakPolarHBondContact CA-O 3.34Å; T459-V476 PolarHBondContact N-O 3.23Å; T459-V476 PolarHBondContact O-N 3.48Å; Y461-V476 HydrophobicContact CD2-CB 4.25Å; Y461-V476 HydrophobicContact CD2-CG2 3.76Å; Y461-V476 HydrophobicContact CE2-CB 4.21Å; Y461-V476 HydrophobicContact CE2-CG2 4.16Å; I474-V476 HydrophobicContact CG2-CG2 4.05Å; I474-V476 PolarHBondContact O-N 3.01Å; V476-F519 HydrophobicContact CG1-CD1 4.31Å; V476-F519 HydrophobicContact CG1-CE1 3.91Å; V476-F519 HydrophobicContact CG1-CZ 4.5Å; V476-F519 HydrophobicContact CG2-CD1 3.84Å; V476-F519 HydrophobicContact CG2-CE1 3.95Å
477	I	80.8	Confident	78.7	Confident	1 Å²	1	66.5 Å²	66.5	1%	0.005	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	114.7	-163.7	-61.1	-169.8	0	0	0	108.4	F457 K475 F482 L490 R517 V518 V520	F457-I477 VanDerWaalsContact O-CG1 3.27Å; F457-I477 WeakPolarHBondContact O-CG1 3.43Å; F457-I477 VanDerWaalsContact O-CG2 3.31Å; F457-I477 WeakPolarHBondContact O-CG2 3.42Å; K475-I477 HydrophobicContact CD-CD1 4.18Å; K475-I477 HydrophobicContact CG-CD1 3.97Å; K475-I477 HydrophobicContact CG-CG1 4.03Å; I477-F482 HydrophobicContact CG2-CD2 4.2Å; I477-F482 HydrophobicContact CG2-CE2 3.41Å; I477-F482 VanDerWaalsContact CG2-CE2 3.41Å; I477-F482 HydrophobicContact CG2-CZ 4.09Å; I477-L490 HydrophobicContact CD1-CD1 3.4Å; I477-L490 VanDerWaalsContact CD1-CD1 3.4Å; I477-L490 HydrophobicContact CD1-CD2 4.47Å; I477-L490 HydrophobicContact CG2-CD1 4.47Å; I477-L490 HydrophobicContact CG2-CD2 3.73Å; I477-R517 CarbonylContact O-C 3.47Å; I477-R517 WeakPolarHBondContact O-CA 3.27Å; I477-V518 HydrophobicContact CB-CB 4.06Å; I477-V518 WeakPolarHBondContact CB-O 3.48Å; I477-V518 HydrophobicContact CG2-CB 4.29Å; I477-V518 PolarHBondContact N-O 2.82Å; I477-V518 PolarHBondContact O-N 2.85Å; I477-V520 HydrophobicContact CD1-CG2 4.18Å
478	L	78.6	Confident	78	Confident	43 Å²	43	68.4 Å²	68.4	23%	0.225	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	110.8	-177	-75.4	165.6	0	0	0	111	S480 R481 F482 R517	L478-S480 PolarHBondContact O-N 2.81Å; L478-S480 VanDerWaalsContact O-N 3.1Å; L478-R481 HydrophobicContact CB-CG 4.11Å; L478-R481 WeakPolarHBondContact O-CB 3.46Å; L478-R481 PolarHBondContact O-N 3.3Å; L478-F482 WeakPolarHBondContact O-CD2 3.39Å; L478-F482 WeakPolarHBondContact O-CE2 3.38Å; L478-R517 HydrophobicContact CD2-CG 3.96Å
479	K	78.1	Confident	76.9	Confident	45 Å²	45	68 Å²	68	20%	0.196	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-58.4	-28.4	-178.1	-63.7	-169	-159.6	178.9	0	113.9	R481 F482 E513 T514 L515 D516 R517	K479-R481 PolarHBondContact O-N 3.4Å; K479-F482 PolarHBondContact O-N 3.24Å; K479-E513 VanDerWaalsContact CE-OE1 3.32Å; K479-E513 WeakPolarHBondContact CE-OE1 3.31Å; K479-E513 VanDerWaalsContact NZ-CD 3.34Å; K479-E513 IonicContact NZ-OE1 2.69Å; K479-E513 PolarHBondContact NZ-OE1 2.8Å; K479-T514 WeakPolarHBondContact CE-O 3.39Å; K479-T514 PolarHBondContact NZ-O 2.78Å; K479-L515 WeakPolarHBondContact CD-O 3.4Å; K479-L515 PolarHBondContact NZ-O 2.78Å; K479-D516 WeakPolarHBondContact CB-O 3.37Å; K479-D516 WeakPolarHBondContact CG-O 3.34Å; K479-D516 PolarHBondContact N-O 3.41Å; K479-R517 VanDerWaalsContact CE-O 3.24Å; K479-R517 WeakPolarHBondContact CE-O 3.39Å
480	S	71	Confident	76.3	Confident	109 Å²	109	66.6 Å²	66.6	76%	0.762	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-65.4	-16.6	176.2	54.5	0	0	0	0	114.5	L478 F482	L478-S480 PolarHBondContact O-N 2.81Å; L478-S480 VanDerWaalsContact O-N 3.1Å; S480-F482 VanDerWaalsContact C-N 3.33Å
481	R	65.2	Low	75.5	Confident	148 Å²	148	68.4 Å²	68.4	56%	0.558	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-84.1	-3.9	174.4	-66.2	-169.6	177.2	-171.3	1	113.8	L478 K479	L478-R481 HydrophobicContact CB-CG 4.11Å; L478-R481 WeakPolarHBondContact O-CB 3.46Å; L478-R481 PolarHBondContact O-N 3.3Å; K479-R481 PolarHBondContact O-N 3.4Å
482	F	64.8	Low	74.8	Confident	36 Å²	36	63.9 Å²	63.9	16%	0.158	30%	0.304	C	S	.	.			trans	-120.4	125.7	-168.1	-58.4	-54.8	0	0	0	112.9	F457 I477 L478 K479 S480 Q486	F457-F482 HydrophobicContact CD1-CE1 4.46Å; F457-F482 VanDerWaalsContact O-CZ 3.3Å; F457-F482 WeakPolarHBondContact O-CZ 3.48Å; I477-F482 HydrophobicContact CG2-CD2 4.2Å; I477-F482 HydrophobicContact CG2-CE2 3.41Å; I477-F482 VanDerWaalsContact CG2-CE2 3.41Å; I477-F482 HydrophobicContact CG2-CZ 4.09Å; L478-F482 WeakPolarHBondContact O-CD2 3.39Å; L478-F482 WeakPolarHBondContact O-CE2 3.38Å; K479-F482 PolarHBondContact O-N 3.24Å; S480-F482 VanDerWaalsContact C-N 3.33Å; F482-Q486 HydrophobicContact CB-CB 3.9Å; F482-Q486 HydrophobicContact CD1-CB 3.32Å; F482-Q486 HydrophobicContact CD1-CG 3.89Å; F482-Q486 HydrophobicContact CE1-CB 4.21Å; F482-Q486 HydrophobicContact CG-CB 3.88Å
483	G	62.4	Low	74.2	Confident	44 Å²	44	64 Å²	64	45%	0.454	31%	0.305	S	S	.	.			trans	-74.4	-178.2	159.7	0	0	0	0	0	111.2	K485 Q486 K487	G483-K485 VanDerWaalsContact C-N 3.35Å; G483-K485 PolarHBondContact O-N 2.99Å; G483-Q486 PolarHBondContact O-N 3.15Å; G483-Q486 PolarHBondContact O-OE1 2.84Å; G483-K487 PolarHBondContact O-N 3.08Å
484	R	62.2	Low	73.5	Confident	225 Å²	225	63.9 Å²	63.9	85%	0.849	30%	0.303	S	S	*	.	H	α-helix	trans	-51.4	-48.9	-178.6	-94.1	-173	174	-174.5	-1.9	113.2	Q486 K487 E488	R484-Q486 PolarHBondContact O-N 3.13Å; R484-K487 WeakPolarHBondContact O-CB 3.41Å; R484-K487 PolarHBondContact O-N 3.14Å; R484-E488 PolarHBondContact O-N 3.15Å
485	K	60	Low	73.2	Confident	153 Å²	153	66 Å²	66	67%	0.665	32%	0.321	S	S	*	.	H	α-helix	trans	-58.9	-46.3	-176.6	-78.5	-175.8	175.5	176.7	0	113.6	G483 K487 E488 Q489	G483-K485 VanDerWaalsContact C-N 3.35Å; G483-K485 PolarHBondContact O-N 2.99Å; K485-K487 VanDerWaalsContact C-N 3.27Å; K485-K487 PolarHBondContact O-N 2.77Å; K485-E488 WeakPolarHBondContact O-CB 3.42Å; K485-E488 PolarHBondContact O-N 3.28Å; K485-E488 VanDerWaalsContact O-N 3.15Å; K485-Q489 PolarHBondContact O-N 3.01Å; K485-Q489 VanDerWaalsContact O-N 3.1Å
486	Q	64	Low	73.2	Confident	34 Å²	34	65.8 Å²	65.8	16%	0.159	32%	0.32	C	S	.	.	H	α-helix	trans	-70.3	-27.3	-179.2	-60.2	99.2	-9.9	0	0	112.1	F482 G483 R484 E488 Q489 L490	F482-Q486 HydrophobicContact CB-CB 3.9Å; F482-Q486 HydrophobicContact CD1-CB 3.32Å; F482-Q486 HydrophobicContact CD1-CG 3.89Å; F482-Q486 HydrophobicContact CE1-CB 4.21Å; F482-Q486 HydrophobicContact CG-CB 3.88Å; G483-Q486 PolarHBondContact O-N 3.15Å; G483-Q486 PolarHBondContact O-OE1 2.84Å; R484-Q486 PolarHBondContact O-N 3.13Å; Q486-E488 VanDerWaalsContact C-N 3.29Å; Q486-E488 PolarHBondContact O-N 3.04Å; Q486-Q489 PolarHBondContact O-N 3.46Å; Q486-L490 PolarHBondContact O-N 3Å
487	K	67.2	Low	73.3	Confident	82 Å²	82	65.6 Å²	65.6	36%	0.357	32%	0.319	S	S	.	.	H	α-helix	trans	-67.8	-28.7	172.5	-164	173.1	-175.9	177.3	0	112.5	G483 R484 K485 R491 E513	G483-K487 PolarHBondContact O-N 3.08Å; R484-K487 WeakPolarHBondContact O-CB 3.41Å; R484-K487 PolarHBondContact O-N 3.14Å; K485-K487 VanDerWaalsContact C-N 3.27Å; K485-K487 PolarHBondContact O-N 2.77Å; K487-R491 WeakPolarHBondContact O-CG 3.46Å; K487-R491 PolarHBondContact O-N 3.38Å; K487-E513 IonicContact NZ-OE1 3.53Å
488	E	69.1	Low	73.8	Confident	119 Å²	119	71.8 Å²	71.8	56%	0.556	35%	0.348	S	S	*	.	H	α-helix	trans	-73.5	-43.5	171.9	-67.9	160.2	-178.7	0	0	111.4	R484 K485 Q486 L490 R491 S492	R484-E488 PolarHBondContact O-N 3.15Å; K485-E488 WeakPolarHBondContact O-CB 3.42Å; K485-E488 PolarHBondContact O-N 3.28Å; K485-E488 VanDerWaalsContact O-N 3.15Å; Q486-E488 VanDerWaalsContact C-N 3.29Å; Q486-E488 PolarHBondContact O-N 3.04Å; E488-L490 PolarHBondContact O-N 3Å; E488-R491 PolarHBondContact O-N 3.39Å; E488-S492 PolarHBondContact O-N 3.43Å
489	Q	66.5	Low	74.4	Confident	63 Å²	63	74.7 Å²	74.7	29%	0.294	36%	0.362	S	S	.	.	H	α-helix	trans	-57.9	-46.4	175.1	-69.8	176.6	-60.5	0	0	112.1	F457 K485 Q486 R491 S492 E493	F457-Q489 HydrophobicContact CE1-CB 4.33Å; K485-Q489 PolarHBondContact O-N 3.01Å; K485-Q489 VanDerWaalsContact O-N 3.1Å; Q486-Q489 PolarHBondContact O-N 3.46Å; Q489-R491 VanDerWaalsContact C-N 3.31Å; Q489-R491 PolarHBondContact O-N 2.97Å; Q489-S492 WeakPolarHBondContact O-CA 3.24Å; Q489-S492 WeakPolarHBondContact O-CB 3.44Å; Q489-S492 PolarHBondContact O-N 3.17Å; Q489-S492 VanDerWaalsContact O-N 3.08Å; Q489-E493 PolarHBondContact O-N 2.97Å
490	L	68.8	Low	75.1	Confident	12 Å²	12	73.1 Å²	73.1	6%	0.063	36%	0.356	C	S	.	.	H	α-helix	trans	-58.4	-41.5	176.1	174.8	59.7	0	0	0	112.9	I477 Q486 E488 S492 E493 V494 V518	I477-L490 HydrophobicContact CD1-CD1 3.4Å; I477-L490 VanDerWaalsContact CD1-CD1 3.4Å; I477-L490 HydrophobicContact CD1-CD2 4.47Å; I477-L490 HydrophobicContact CG2-CD1 4.47Å; I477-L490 HydrophobicContact CG2-CD2 3.73Å; Q486-L490 PolarHBondContact O-N 3Å; E488-L490 PolarHBondContact O-N 3Å; L490-S492 VanDerWaalsContact C-N 3.31Å; L490-E493 PolarHBondContact O-N 2.71Å; L490-V494 HydrophobicContact CD1-CG2 4.39Å; L490-V494 PolarHBondContact O-N 3.25Å; L490-V494 VanDerWaalsContact O-N 3.11Å; L490-V518 HydrophobicContact CD1-CG1 4.47Å; L490-V518 HydrophobicContact CD2-CB 4.04Å; L490-V518 HydrophobicContact CD2-CG1 4.25Å; L490-V518 HydrophobicContact CD2-CG2 3.83Å
491	R	74.1	Confident	76.2	Confident	146 Å²	146	76.3 Å²	76.3	55%	0.551	36%	0.356	S	S	*	.	H	α-helix	trans	-66.6	-35.4	176.3	-75.3	173	170	-174.7	-7.6	111.7	K487 E488 Q489 A495	K487-R491 WeakPolarHBondContact O-CG 3.46Å; K487-R491 PolarHBondContact O-N 3.38Å; E488-R491 PolarHBondContact O-N 3.39Å; Q489-R491 VanDerWaalsContact C-N 3.31Å; Q489-R491 PolarHBondContact O-N 2.97Å; R491-A495 WeakPolarHBondContact O-CB 3.44Å; R491-A495 PolarHBondContact O-N 2.91Å
492	S	77.7	Confident	77.7	Confident	50 Å²	50	71.1 Å²	71.1	35%	0.35	34%	0.337	S	S	.	.	H	α-helix	trans	-66	-45	173.5	-165.2	0	0	0	0	112.1	E488 Q489 L490 V494 A495 I496	E488-S492 PolarHBondContact O-N 3.43Å; Q489-S492 WeakPolarHBondContact O-CA 3.24Å; Q489-S492 WeakPolarHBondContact O-CB 3.44Å; Q489-S492 PolarHBondContact O-N 3.17Å; Q489-S492 VanDerWaalsContact O-N 3.08Å; L490-S492 VanDerWaalsContact C-N 3.31Å; S492-V494 PolarHBondContact O-N 3.07Å; S492-A495 PolarHBondContact O-N 2.98Å; S492-I496 WeakPolarHBondContact O-CB 3.45Å; S492-I496 WeakPolarHBondContact O-CG1 3.07Å; S492-I496 PolarHBondContact O-N 3.1Å
493	E	82.4	Confident	79.1	Confident	3 Å²	3	71.3 Å²	71.3	1%	0.014	34%	0.342	C	S	.	.	H	α-helix	trans	-56.2	-51.3	176.6	-178	-176.6	164.1	0	0	110.7	K475 Q489 L490 I496 L497 F592	K475-E493 IonicContact NZ-OE1 3.87Å; K475-E493 PolarHBondContact NZ-OE1 2.82Å; K475-E493 IonicContact NZ-OE2 3.85Å; K475-E493 PolarHBondContact NZ-OE2 2.82Å; Q489-E493 PolarHBondContact O-N 2.97Å; L490-E493 PolarHBondContact O-N 2.71Å; E493-I496 PolarHBondContact O-N 2.85Å; E493-L497 HydrophobicContact CG-CD1 4.09Å; E493-L497 WeakPolarHBondContact O-CB 3.35Å; E493-L497 WeakPolarHBondContact O-CG 3.38Å; E493-L497 PolarHBondContact O-N 3.27Å; E493-F592 HydrophobicContact CG-CB 4.05Å
494	V	81.4	Confident	80.8	Confident	6 Å²	6	69.2 Å²	69.2	4%	0.036	32%	0.32	C	S	.	.	H	α-helix	trans	-67.4	-42	179.6	176.2	0	0	0	0	111.8	L490 S492 I496 L497 Q498 M511 V520	L490-V494 HydrophobicContact CD1-CG2 4.39Å; L490-V494 PolarHBondContact O-N 3.25Å; L490-V494 VanDerWaalsContact O-N 3.11Å; S492-V494 PolarHBondContact O-N 3.07Å; V494-I496 VanDerWaalsContact C-N 3.3Å; V494-I496 PolarHBondContact O-N 2.83Å; V494-L497 CarbonylContact O-C 3.47Å; V494-L497 PolarHBondContact O-N 3.26Å; V494-Q498 HydrophobicContact CG1-CG 4.15Å; V494-Q498 WeakPolarHBondContact O-CB 3.43Å; V494-Q498 VanDerWaalsContact O-CG 3.27Å; V494-Q498 WeakPolarHBondContact O-CG 3.44Å; V494-Q498 PolarHBondContact O-N 2.99Å; V494-M511 HydrophobicContact CG1-CB 4.3Å; V494-M511 HydrophobicContact CG1-CG 4.15Å; V494-M511 HydrophobicContact CG1-SD 3.81Å; V494-M511 HydrophobicContact CG2-CE 4.22Å; V494-M511 HydrophobicContact CG2-CG 4.23Å; V494-M511 HydrophobicContact CG2-SD 4.29Å; V494-V520 HydrophobicContact CG2-CG2 4.2Å
495	A	86.8	Confident	82.5	Confident	46 Å²	46	58.6 Å²	58.6	38%	0.38	28%	0.28	S	S	.	.	H	α-helix	trans	-62.1	-38.5	178.9	0	0	0	0	0	112.2	R491 S492 Q498 I499	R491-A495 WeakPolarHBondContact O-CB 3.44Å; R491-A495 PolarHBondContact O-N 2.91Å; S492-A495 PolarHBondContact O-N 2.98Å; A495-Q498 PolarHBondContact O-N 3.22Å; A495-I499 PolarHBondContact O-N 3.04Å
496	I	89.6	Confident	84.2	Confident	4 Å²	4	51.7 Å²	51.7	2%	0.021	25%	0.25	C	S	.	.	H	α-helix	trans	-64.7	-51	172.7	-74.9	167.6	0	0	0	110.3	S492 E493 V494 Q498 I499 I500 I565 F592 A595	S492-I496 WeakPolarHBondContact O-CB 3.45Å; S492-I496 WeakPolarHBondContact O-CG1 3.07Å; S492-I496 PolarHBondContact O-N 3.1Å; E493-I496 PolarHBondContact O-N 2.85Å; V494-I496 VanDerWaalsContact C-N 3.3Å; V494-I496 PolarHBondContact O-N 2.83Å; I496-Q498 PolarHBondContact O-N 2.91Å; I496-Q498 VanDerWaalsContact O-N 3.16Å; I496-I499 VanDerWaalsContact O-CG1 3.28Å; I496-I499 WeakPolarHBondContact O-CG1 3.4Å; I496-I499 PolarHBondContact O-N 3.29Å; I496-I499 VanDerWaalsContact O-N 3.1Å; I496-I500 HydrophobicContact CG2-CD1 3.82Å; I496-I500 WeakPolarHBondContact O-CG1 3.46Å; I496-I500 PolarHBondContact O-N 2.63Å; I496-I500 VanDerWaalsContact O-N 3.15Å; I496-I565 HydrophobicContact CG2-CD1 4.18Å; I496-I565 HydrophobicContact CG2-CG2 4.27Å; I496-F592 HydrophobicContact CG2-CB 4.38Å; I496-F592 HydrophobicContact CG2-CD1 3.71Å; I496-F592 HydrophobicContact CG2-CE1 4.38Å; I496-F592 HydrophobicContact CG2-CG 4.25Å; I496-A595 HydrophobicContact CD1-CB 3.91Å; I496-A595 WeakPolarHBondContact CD1-O 3.39Å
497	L	89.9	Confident	85.6	Confident	8 Å²	8	53 Å²	53	4%	0.042	26%	0.261	C	S	.	.	H	α-helix	trans	-61.6	-21.1	177.9	-78.5	170.8	0	0	0	114.3	E493 V494 I500 I506 L508 F592	E493-L497 HydrophobicContact CG-CD1 4.09Å; E493-L497 WeakPolarHBondContact O-CB 3.35Å; E493-L497 WeakPolarHBondContact O-CG 3.38Å; E493-L497 PolarHBondContact O-N 3.27Å; V494-L497 CarbonylContact O-C 3.47Å; V494-L497 PolarHBondContact O-N 3.26Å; L497-I500 HydrophobicContact CD2-CD1 4.31Å; L497-I506 HydrophobicContact CD2-CG2 4.03Å; L497-L508 HydrophobicContact CB-CB 4.14Å; L497-L508 HydrophobicContact CB-CD2 3.93Å; L497-F592 HydrophobicContact CD2-CD2 3.64Å; L497-F592 HydrophobicContact CD2-CE2 4Å; L497-F592 HydrophobicContact CD2-CG 4.32Å; L497-F592 HydrophobicContact CG-CB 4.42Å; L497-F592 HydrophobicContact CG-CD2 4.15Å; L497-F592 HydrophobicContact CG-CG 4.42Å
498	Q	89.9	Confident	86.8	Confident	131 Å²	131	50.6 Å²	50.6	61%	0.612	25%	0.252	S	S	*	.	H	α-helix	trans	-80.5	-26.5	175.6	-79.5	175.9	-30.9	0	0	113.7	V494 A495 I496 L508	V494-Q498 HydrophobicContact CG1-CG 4.15Å; V494-Q498 WeakPolarHBondContact O-CB 3.43Å; V494-Q498 VanDerWaalsContact O-CG 3.27Å; V494-Q498 WeakPolarHBondContact O-CG 3.44Å; V494-Q498 PolarHBondContact O-N 2.99Å; A495-Q498 PolarHBondContact O-N 3.22Å; I496-Q498 PolarHBondContact O-N 2.91Å; I496-Q498 VanDerWaalsContact O-N 3.16Å; Q498-L508 HydrophobicContact CG-CD2 3.71Å
499	I	90.5	Very high	87.9	Confident	104 Å²	104	48.1 Å²	48.1	53%	0.533	24%	0.24	S	C	.	.	H	α-helix	trans	-98.5	-22.4	-178.1	64.4	172.7	0	0	0	113.4	A495 I496 I565	A495-I499 PolarHBondContact O-N 3.04Å; I496-I499 VanDerWaalsContact O-CG1 3.28Å; I496-I499 WeakPolarHBondContact O-CG1 3.4Å; I496-I499 PolarHBondContact O-N 3.29Å; I496-I499 VanDerWaalsContact O-N 3.1Å; I499-I565 HydrophobicContact CD1-CD1 4.34Å
500	I	93.1	Very high	89.1	Confident	12 Å²	12	46.3 Å²	46.3	6%	0.062	24%	0.236	C	C	.	.			trans	-90.8	137	178.8	66.8	-170.3	0	0	0	112.1	I496 L497 I505 Y559 L560 I565 F592	I496-I500 HydrophobicContact CG2-CD1 3.82Å; I496-I500 WeakPolarHBondContact O-CG1 3.46Å; I496-I500 PolarHBondContact O-N 2.63Å; I496-I500 VanDerWaalsContact O-N 3.15Å; L497-I500 HydrophobicContact CD2-CD1 4.31Å; I500-I505 HydrophobicContact CD1-CD1 4.39Å; I500-I505 HydrophobicContact CD1-CG2 3.79Å; I500-I505 HydrophobicContact CG1-CG2 4.11Å; I500-Y559 HydrophobicContact CB-CE1 3.89Å; I500-Y559 HydrophobicContact CG2-CE1 4.08Å; I500-L560 HydrophobicContact CD1-CD2 4.06Å; I500-L560 HydrophobicContact CG2-CD2 4.1Å; I500-I565 HydrophobicContact CG2-CD1 3.44Å; I500-I565 VanDerWaalsContact CG2-CD1 3.44Å; I500-F592 HydrophobicContact CD1-CD1 4.06Å; I500-F592 HydrophobicContact CD1-CE1 3.59Å; I500-F592 HydrophobicContact CD1-CE2 4.15Å; I500-F592 HydrophobicContact CD1-CZ 3.65Å
501	K	94	Very high	90.1	Very high	176 Å²	176	48.5 Å²	48.5	77%	0.765	25%	0.246	S	C	*	.			trans	-150.8	103.7	172.1	-171.3	178	-179	178.5	0	110.5	Y559	K501-Y559 PolarHBondContact N-OH 2.78Å; K501-Y559 PolarHBondContact O-OH 3.36Å
502	Y	96.5	Very high	90.8	Very high	39 Å²	39	42.4 Å²	42.4	15%	0.153	22%	0.224	C	C	.	.			trans	-145.5	145.7	-176.7	-171	-108.4	0	0	0	111.1	G504 I505 K555 A556 Y559 Y723	Y502-G504 VanDerWaalsContact CD1-N 3.28Å; Y502-G504 PolarHBondContact O-N 3.03Å; Y502-G504 VanDerWaalsContact O-N 3.16Å; Y502-I505 HydrophobicContact CD1-CG1 4.36Å; Y502-I505 PolarHBondContact O-N 3.33Å; Y502-K555 HydrophobicContact CE1-CB 4.48Å; Y502-K555 WeakPolarHBondContact CE1-O 3.16Å; Y502-A556 HydrophobicContact CD1-CB 4.47Å; Y502-Y559 HydrophobicContact CD1-CG 4.33Å; Y502-Y559 HydrophobicContact CD2-CD1 4.49Å; Y502-Y559 AromaticContact CD2-CD2 3.37Å; Y502-Y559 HydrophobicContact CD2-CD2 3.37Å; Y502-Y559 HydrophobicContact CD2-CE2 4.03Å; Y502-Y559 AromaticContact CD2-CG 3.64Å; Y502-Y559 HydrophobicContact CD2-CG 3.64Å; Y502-Y559 HydrophobicContact CE2-CD2 4.09Å; Y502-Y559 HydrophobicContact CE2-CG 4.34Å; Y502-Y559 HydrophobicContact CG-CD1 4.11Å; Y502-Y559 AromaticContact CG-CD2 3.83Å; Y502-Y559 HydrophobicContact CG-CD2 3.83Å; Y502-Y559 HydrophobicContact CG-CE2 4.43Å; Y502-Y559 AromaticContact CG-CG 3.64Å; Y502-Y559 HydrophobicContact CG-CG 3.64Å; Y502-Y723 HydrophobicContact CE1-CD2 4.09Å; Y502-Y723 HydrophobicContact CE1-CE2 4.47Å; Y502-Y723 AromaticContact CZ-CD2 3.94Å; Y502-Y723 PolarHBondContact OH-O 3.03Å
503	P	95.9	Very high	91.3	Very high	40 Å²	40	43 Å²	43	26%	0.26	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-26.5	-178	-25.5	35.9	0	0	0	114.7	Q586 K588 V721 Y723	P503-Q586 PolarHBondContact O-NE2 2.88Å; P503-K588 VanDerWaalsContact O-CE 3.23Å; P503-K588 WeakPolarHBondContact O-CE 3.31Å; P503-V721 HydrophobicContact CG-CG1 4.2Å; P503-Y723 HydrophobicContact CB-CD1 3.84Å; P503-Y723 HydrophobicContact CB-CD2 3.86Å; P503-Y723 HydrophobicContact CB-CE1 3.81Å; P503-Y723 HydrophobicContact CB-CE2 3.83Å; P503-Y723 HydrophobicContact CB-CG 3.86Å; P503-Y723 HydrophobicContact CG-CD1 4.13Å; P503-Y723 HydrophobicContact CG-CD2 4.2Å; P503-Y723 HydrophobicContact CG-CG 3.91Å
504	G	97	Very high	91.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	12.9	174.3	0	0	0	0	0	115.4	Y502 A556 K588 L589	Y502-G504 VanDerWaalsContact CD1-N 3.28Å; Y502-G504 PolarHBondContact O-N 3.03Å; Y502-G504 VanDerWaalsContact O-N 3.16Å; G504-A556 WeakPolarHBondContact O-CB 3.23Å; G504-K588 CarbonylContact O-C 3.57Å; G504-K588 WeakPolarHBondContact O-CA 3.5Å; G504-L589 PolarHBondContact O-N 3.14Å
505	I	97.5	Very high	91.3	Very high	3 Å²	3	46 Å²	46	2%	0.015	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-128	144.1	-177.9	-64.9	177.3	0	0	0	109.7	I500 Y502 T507 A556 Y559 L560 F592	I500-I505 HydrophobicContact CD1-CD1 4.39Å; I500-I505 HydrophobicContact CD1-CG2 3.79Å; I500-I505 HydrophobicContact CG1-CG2 4.11Å; Y502-I505 HydrophobicContact CD1-CG1 4.36Å; Y502-I505 PolarHBondContact O-N 3.33Å; I505-T507 PolarHBondContact O-N 2.98Å; I505-A556 HydrophobicContact CG1-CB 4.29Å; I505-Y559 HydrophobicContact CD1-CD1 3.58Å; I505-Y559 HydrophobicContact CD1-CE1 4Å; I505-L560 HydrophobicContact CD1-CD1 4.4Å; I505-L560 HydrophobicContact CD1-CD2 3.69Å; I505-L560 HydrophobicContact CD1-CG 3.81Å; I505-F592 HydrophobicContact CG2-CE2 3.94Å; I505-F592 HydrophobicContact CG2-CZ 3.78Å
506	I	95.4	Very high	90.9	Very high	7 Å²	7	46.6 Å²	46.6	4%	0.036	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-62.8	127.8	178.1	-163.6	68	0	0	0	111.7	L497 L508 M522 E523 M525 L576 L589 C590 F592	L497-I506 HydrophobicContact CD2-CG2 4.03Å; I506-L508 PolarHBondContact O-N 3.04Å; I506-M522 HydrophobicContact CG1-CB 4.21Å; I506-M522 HydrophobicContact CG1-SD 4.4Å; I506-E523 HydrophobicContact CD1-CG 3.39Å; I506-E523 HydrophobicContact CG1-CG 4.2Å; I506-M525 HydrophobicContact CD1-CG 3.71Å; I506-M525 HydrophobicContact CD1-SD 4.41Å; I506-L576 HydrophobicContact CD1-CD1 3.96Å; I506-L589 WeakPolarHBondContact CB-O 3.5Å; I506-L589 WeakPolarHBondContact CG2-O 3.47Å; I506-L589 PolarHBondContact N-O 2.9Å; I506-C590 HydrophobicContact CB-CB 4.16Å; I506-C590 HydrophobicContact CG2-CB 3.96Å; I506-F592 HydrophobicContact CG2-CE2 4.27Å
507	T	94	Very high	90.7	Very high	61 Å²	61	48.2 Å²	48.2	37%	0.374	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-79	119.2	-179.6	-50.2	0	0	0	0	110.7	I505 M522 E523	I505-T507 PolarHBondContact O-N 2.98Å; T507-M522 VanDerWaalsContact O-CA 3.31Å; T507-M522 WeakPolarHBondContact O-CA 3.14Å; T507-E523 WeakPolarHBondContact CB-OE1 3.46Å; T507-E523 PolarHBondContact N-OE1 2.84Å; T507-E523 PolarHBondContact O-N 2.92Å; T507-E523 VanDerWaalsContact O-N 3.13Å; T507-E523 PolarHBondContact OG1-OE1 3.33Å
508	L	93.2	Very high	90.5	Very high	33 Å²	33	47.9 Å²	47.9	17%	0.173	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	125.1	162.6	179.2	68.5	0	0	0	109.5	L497 Q498 I506 V520	L497-L508 HydrophobicContact CB-CB 4.14Å; L497-L508 HydrophobicContact CB-CD2 3.93Å; Q498-L508 HydrophobicContact CG-CD2 3.71Å; I506-L508 PolarHBondContact O-N 3.04Å; L508-V520 HydrophobicContact CD1-CG1 3.38Å
509	E	92	Very high	90.5	Very high	67 Å²	67	41.8 Å²	41.8	31%	0.313	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	-45.2	176.6	179.4	171.7	168.7	0	0	111.7	R470 V472 V521	R470-E509 IonicContact CZ-OE1 2.64Å; R470-E509 IonicContact CZ-OE2 2.72Å; R470-E509 IonicContact NH1-OE1 3.47Å; R470-E509 IonicContact NH1-OE2 3.09Å; R470-E509 PolarHBondContact NH1-OE2 3.38Å; R470-E509 IonicContact NH2-OE1 2.86Å; R470-E509 PolarHBondContact NH2-OE1 3.08Å; R470-E509 IonicContact NH2-OE2 3.65Å; R470-E509 PolarHBondContact NH2-OE2 3.22Å; R470-E509 VanDerWaalsContact NH2-OE2 3.07Å; V472-E509 WeakPolarHBondContact CG1-OE2 3.44Å; E509-V521 HydrophobicContact CB-CG1 4.21Å; E509-V521 PolarHBondContact N-O 3.29Å
510	A	91.2	Very high	90.5	Very high	24 Å²	24	36.9 Å²	36.9	20%	0.198	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	159.1	-179.4	0	0	0	0	0	111.9	F444 F512 V521	F444-A510 HydrophobicContact CE2-CB 4.49Å; A510-F512 HydrophobicContact CB-CD2 4.3Å; A510-F512 HydrophobicContact CB-CE2 3.53Å; A510-F512 HydrophobicContact CB-CZ 4.07Å; A510-V521 HydrophobicContact CB-CB 4.29Å; A510-V521 HydrophobicContact CB-CG2 4.47Å; A510-V521 PolarHBondContact N-O 3.32Å; A510-V521 PolarHBondContact O-N 2.81Å
511	M	90.1	Very high	90.5	Very high	58 Å²	58	36.3 Å²	36.3	29%	0.286	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	132.8	170.4	-176	-131.7	-178.1	0	0	109.4	V494 E513 V518 F519	V494-M511 HydrophobicContact CG1-CB 4.3Å; V494-M511 HydrophobicContact CG1-CG 4.15Å; V494-M511 HydrophobicContact CG1-SD 3.81Å; V494-M511 HydrophobicContact CG2-CE 4.22Å; V494-M511 HydrophobicContact CG2-CG 4.23Å; V494-M511 HydrophobicContact CG2-SD 4.29Å; M511-E513 HydrophobicContact CE-CB 4.32Å; M511-V518 HydrophobicContact CE-CB 4.41Å; M511-V518 HydrophobicContact CE-CG1 3.46Å; M511-V518 VanDerWaalsContact CE-CG1 3.46Å; M511-V518 HydrophobicContact CE-CG2 4.03Å; M511-V518 HydrophobicContact CG-CG1 4.14Å; M511-F519 CarbonylContact C-O 3.56Å; M511-F519 WeakPolarHBondContact CA-O 3.44Å
512	F	89.6	Confident	90.5	Very high	19 Å²	19	28.8 Å²	28.8	8%	0.083	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	119.8	176.9	-59.1	-93.8	0	0	0	109.7	V436 E439 F440 M443 F444 A510 V518 F519 V521	V436-F512 HydrophobicContact CG1-CB 3.84Å; V436-F512 HydrophobicContact CG1-CD1 4.16Å; E439-F512 HydrophobicContact CG-CE1 4.12Å; F440-F512 HydrophobicContact CB-CB 4.19Å; F440-F512 HydrophobicContact CB-CD1 3.98Å; F440-F512 HydrophobicContact CB-CD2 4.31Å; F440-F512 HydrophobicContact CB-CE1 4.45Å; F440-F512 HydrophobicContact CB-CG 3.91Å; F440-F512 HydrophobicContact CD2-CB 4.34Å; F440-F512 AromaticContact CD2-CD2 3.53Å; F440-F512 HydrophobicContact CD2-CD2 3.53Å; F440-F512 AromaticContact CD2-CE2 3.93Å; F440-F512 HydrophobicContact CD2-CE2 3.93Å; F440-F512 AromaticContact CD2-CG 3.95Å; F440-F512 HydrophobicContact CD2-CG 3.95Å; F440-F512 HydrophobicContact CE2-CD2 4.36Å; F440-F512 HydrophobicContact CG-CD2 4.35Å; F440-F512 HydrophobicContact CG-CG 4.34Å; M443-F512 HydrophobicContact SD-CZ 4.19Å; F444-F512 AromaticContact CD2-CE2 3.85Å; F444-F512 HydrophobicContact CD2-CE2 3.85Å; F444-F512 HydrophobicContact CD2-CZ 4.16Å; F444-F512 AromaticContact CE2-CE2 3.66Å; F444-F512 HydrophobicContact CE2-CE2 3.66Å; F444-F512 AromaticContact CE2-CZ 3.88Å; F444-F512 HydrophobicContact CE2-CZ 3.88Å; A510-F512 HydrophobicContact CB-CD2 4.3Å; A510-F512 HydrophobicContact CB-CE2 3.53Å; A510-F512 HydrophobicContact CB-CZ 4.07Å; F512-V518 WeakPolarHBondContact O-CA 3.21Å; F512-F519 HydrophobicContact CB-CB 4.35Å; F512-F519 PolarHBondContact N-O 3.39Å; F512-F519 PolarHBondContact O-N 3.22Å; F512-V521 HydrophobicContact CD2-CG2 4.31Å; F512-V521 HydrophobicContact CE2-CG2 4.21Å
513	E	87.4	Confident	90.4	Very high	62 Å²	62	29 Å²	29	29%	0.29	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	99.9	174.5	-177.6	167.1	177.5	0	0	109.8	K479 K487 M511 V518	K479-E513 VanDerWaalsContact CE-OE1 3.32Å; K479-E513 WeakPolarHBondContact CE-OE1 3.31Å; K479-E513 VanDerWaalsContact NZ-CD 3.34Å; K479-E513 IonicContact NZ-OE1 2.69Å; K479-E513 PolarHBondContact NZ-OE1 2.8Å; K487-E513 IonicContact NZ-OE1 3.53Å; M511-E513 HydrophobicContact CE-CB 4.32Å; E513-V518 HydrophobicContact CB-CG2 4.11Å; E513-V518 HydrophobicContact CG-CG2 3.85Å
514	T	84.1	Confident	90.3	Very high	5 Å²	5	29.7 Å²	29.7	3%	0.031	15%	0.15	C	C	.	.			trans	-78.8	-173.1	172.2	69.3	0	0	0	0	110.2	V436 A437 K479 D516 R517 F519	V436-T514 HydrophobicContact CG1-CG2 4.42Å; A437-T514 HydrophobicContact CB-CG2 3.68Å; K479-T514 WeakPolarHBondContact CE-O 3.39Å; K479-T514 PolarHBondContact NZ-O 2.78Å; T514-D516 PolarHBondContact OG1-OD1 2.9Å; T514-R517 PolarHBondContact N-O 2.93Å; T514-R517 WeakPolarHBondContact OG1-CB 3.46Å; T514-R517 PolarHBondContact OG1-N 3.36Å; T514-R517 PolarHBondContact OG1-O 3.25Å; T514-F519 HydrophobicContact CG2-CD2 4.1Å; T514-F519 HydrophobicContact CG2-CE2 3.7Å
515	L	78.9	Confident	90.1	Very high	66 Å²	66	30.6 Å²	30.6	35%	0.346	16%	0.155	S	C	.	.	S	Bend	trans	-60.7	-48.2	173.6	-73.2	168.8	0	0	0	113.3	Q429 N430 K479	Q429-L515 WeakPolarHBondContact O-CD2 3.36Å; N430-L515 HydrophobicContact CB-CD1 4.28Å; N430-L515 VanDerWaalsContact OD1-CD1 3.31Å; N430-L515 WeakPolarHBondContact OD1-CD1 3.18Å; N430-L515 WeakPolarHBondContact OD1-CD2 3.24Å; K479-L515 WeakPolarHBondContact CD-O 3.4Å; K479-L515 PolarHBondContact NZ-O 2.78Å
516	D	79	Confident	89.7	Confident	59 Å²	59	34.8 Å²	34.8	32%	0.316	17%	0.174	S	C	.	.	S	Bend	trans	-103.3	-17.7	-167.7	69	-39.7	0	0	0	113.6	K479 T514	K479-D516 WeakPolarHBondContact CB-O 3.37Å; K479-D516 WeakPolarHBondContact CG-O 3.34Å; K479-D516 PolarHBondContact N-O 3.41Å; T514-D516 PolarHBondContact OG1-OD1 2.9Å
517	R	85.3	Confident	89.3	Confident	39 Å²	39	34.7 Å²	34.7	15%	0.147	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	162.8	-171.2	-68.6	161.8	-160	-114.8	10.5	113.2	L410 I477 L478 K479 T514 F519	L410-R517 PolarHBondContact O-NH2 2.88Å; I477-R517 CarbonylContact O-C 3.47Å; I477-R517 WeakPolarHBondContact O-CA 3.27Å; L478-R517 HydrophobicContact CD2-CG 3.96Å; K479-R517 VanDerWaalsContact CE-O 3.24Å; K479-R517 WeakPolarHBondContact CE-O 3.39Å; T514-R517 PolarHBondContact N-O 2.93Å; T514-R517 WeakPolarHBondContact OG1-CB 3.46Å; T514-R517 PolarHBondContact OG1-N 3.36Å; T514-R517 PolarHBondContact OG1-O 3.25Å; R517-F519 HydrophobicContact CB-CD2 4.28Å; R517-F519 HydrophobicContact CB-CE2 3.66Å; R517-F519 HydrophobicContact CB-CZ 4.07Å; R517-F519 HydrophobicContact CG-CZ 4.48Å
518	V	85.9	Confident	89.2	Confident	1 Å²	1	32.3 Å²	32.3	1%	0.006	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	137.4	159	169.9	0	0	0	0	108	I477 L490 M511 F512 E513 V520	I477-V518 HydrophobicContact CB-CB 4.06Å; I477-V518 WeakPolarHBondContact CB-O 3.48Å; I477-V518 HydrophobicContact CG2-CB 4.29Å; I477-V518 PolarHBondContact N-O 2.82Å; I477-V518 PolarHBondContact O-N 2.85Å; L490-V518 HydrophobicContact CD1-CG1 4.47Å; L490-V518 HydrophobicContact CD2-CB 4.04Å; L490-V518 HydrophobicContact CD2-CG1 4.25Å; L490-V518 HydrophobicContact CD2-CG2 3.83Å; M511-V518 HydrophobicContact CE-CB 4.41Å; M511-V518 HydrophobicContact CE-CG1 3.46Å; M511-V518 VanDerWaalsContact CE-CG1 3.46Å; M511-V518 HydrophobicContact CE-CG2 4.03Å; M511-V518 HydrophobicContact CG-CG1 4.14Å; F512-V518 WeakPolarHBondContact O-CA 3.21Å; E513-V518 HydrophobicContact CB-CG2 4.11Å; E513-V518 HydrophobicContact CG-CG2 3.85Å; V518-V520 HydrophobicContact CG1-CG2 3.93Å
519	F	89.5	Confident	89.2	Confident	3 Å²	3	30.8 Å²	30.8	1%	0.013	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	115.8	173.2	-60.7	-94.7	0	0	0	107.7	P409 F440 V446 I474 K475 V476 M511 F512 T514 R517	P409-F519 HydrophobicContact CB-CZ 3.98Å; P409-F519 HydrophobicContact CG-CZ 4.49Å; F440-F519 HydrophobicContact CD1-CD1 4.26Å; F440-F519 HydrophobicContact CD1-CD2 4.35Å; F440-F519 HydrophobicContact CD1-CE1 4.3Å; F440-F519 HydrophobicContact CD1-CE2 4.39Å; F440-F519 HydrophobicContact CD1-CG 4.29Å; F440-F519 HydrophobicContact CD1-CZ 4.36Å; F440-F519 HydrophobicContact CD2-CB 4.16Å; F440-F519 HydrophobicContact CD2-CG 4.3Å; F440-F519 AromaticContact CE1-CD1 3.54Å; F440-F519 HydrophobicContact CE1-CD1 3.54Å; F440-F519 HydrophobicContact CE1-CD2 4.42Å; F440-F519 AromaticContact CE1-CE1 3.58Å; F440-F519 HydrophobicContact CE1-CE1 3.58Å; F440-F519 HydrophobicContact CE1-CE2 4.45Å; F440-F519 AromaticContact CE1-CG 3.99Å; F440-F519 HydrophobicContact CE1-CG 3.99Å; F440-F519 HydrophobicContact CE1-CZ 4.06Å; F440-F519 HydrophobicContact CE2-CB 3.83Å; F440-F519 AromaticContact CE2-CD1 3.99Å; F440-F519 HydrophobicContact CE2-CD1 3.99Å; F440-F519 AromaticContact CE2-CG 3.99Å; F440-F519 HydrophobicContact CE2-CG 3.99Å; F440-F519 HydrophobicContact CG-CG 4.44Å; F440-F519 HydrophobicContact CZ-CB 4.13Å; F440-F519 AromaticContact CZ-CD1 3.38Å; F440-F519 HydrophobicContact CZ-CD1 3.38Å; F440-F519 AromaticContact CZ-CE1 3.89Å; F440-F519 HydrophobicContact CZ-CE1 3.89Å; F440-F519 AromaticContact CZ-CG 3.82Å; F440-F519 HydrophobicContact CZ-CG 3.82Å; V446-F519 HydrophobicContact CG2-CD1 4.47Å; V446-F519 HydrophobicContact CG2-CE1 4.34Å; I474-F519 HydrophobicContact CG2-CB 4.27Å; I474-F519 HydrophobicContact CG2-CD1 4.07Å; K475-F519 WeakPolarHBondContact O-CA 3.48Å; V476-F519 HydrophobicContact CG1-CD1 4.31Å; V476-F519 HydrophobicContact CG1-CE1 3.91Å; V476-F519 HydrophobicContact CG1-CZ 4.5Å; V476-F519 HydrophobicContact CG2-CD1 3.84Å; V476-F519 HydrophobicContact CG2-CE1 3.95Å; M511-F519 CarbonylContact C-O 3.56Å; M511-F519 WeakPolarHBondContact CA-O 3.44Å; F512-F519 HydrophobicContact CB-CB 4.35Å; F512-F519 PolarHBondContact N-O 3.39Å; F512-F519 PolarHBondContact O-N 3.22Å; T514-F519 HydrophobicContact CG2-CD2 4.1Å; T514-F519 HydrophobicContact CG2-CE2 3.7Å; R517-F519 HydrophobicContact CB-CD2 4.28Å; R517-F519 HydrophobicContact CB-CE2 3.66Å; R517-F519 HydrophobicContact CB-CZ 4.07Å; R517-F519 HydrophobicContact CG-CZ 4.48Å
520	V	90.4	Very high	89	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	112.4	173.6	-168.7	0	0	0	0	107.6	I474 K475 I477 V494 L508 V518 M522	I474-V520 CarbonylContact C-O 3.51Å; I474-V520 WeakPolarHBondContact CA-O 3.41Å; K475-V520 HydrophobicContact CB-CB 4.15Å; K475-V520 PolarHBondContact N-O 3.28Å; K475-V520 PolarHBondContact O-N 3.18Å; I477-V520 HydrophobicContact CD1-CG2 4.18Å; V494-V520 HydrophobicContact CG2-CG2 4.2Å; L508-V520 HydrophobicContact CD1-CG1 3.38Å; V518-V520 HydrophobicContact CG1-CG2 3.93Å; V520-M522 HydrophobicContact CG1-CG 4.32Å; V520-M522 HydrophobicContact CG1-SD 4.5Å
521	V	93.6	Very high	88.6	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	124.2	-178.2	-173.2	0	0	0	0	108.9	F440 F444 V472 I474 E509 A510 F512	F440-V521 HydrophobicContact CE2-CG2 4.15Å; F444-V521 HydrophobicContact CD1-CG1 4.03Å; F444-V521 HydrophobicContact CD2-CG2 4.33Å; F444-V521 HydrophobicContact CE1-CG1 3.64Å; F444-V521 HydrophobicContact CE2-CG2 4.37Å; F444-V521 HydrophobicContact CG-CG2 4.46Å; F444-V521 HydrophobicContact CZ-CG1 3.98Å; V472-V521 HydrophobicContact CB-CG1 3.97Å; V472-V521 HydrophobicContact CG1-CG1 4.09Å; V472-V521 HydrophobicContact CG2-CG1 4.17Å; I474-V521 HydrophobicContact CG1-CG1 4.46Å; I474-V521 HydrophobicContact CG1-CG2 4.42Å; E509-V521 HydrophobicContact CB-CG1 4.21Å; E509-V521 PolarHBondContact N-O 3.29Å; A510-V521 HydrophobicContact CB-CB 4.29Å; A510-V521 HydrophobicContact CB-CG2 4.47Å; A510-V521 PolarHBondContact N-O 3.32Å; A510-V521 PolarHBondContact O-N 2.81Å; F512-V521 HydrophobicContact CD2-CG2 4.31Å; F512-V521 HydrophobicContact CE2-CG2 4.21Å
522	M	94.2	Very high	88.5	Confident	18 Å²	18	25.3 Å²	25.3	9%	0.089	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	163.7	-177.4	-63.1	169	-70.4	0	0	110.1	V472 A473 K475 I506 T507 V520	V472-M522 WeakPolarHBondContact CB-O 3.26Å; A473-M522 PolarHBondContact N-O 3.35Å; A473-M522 PolarHBondContact O-N 3.48Å; K475-M522 HydrophobicContact CB-CE 3.95Å; I506-M522 HydrophobicContact CG1-CB 4.21Å; I506-M522 HydrophobicContact CG1-SD 4.4Å; T507-M522 VanDerWaalsContact O-CA 3.31Å; T507-M522 WeakPolarHBondContact O-CA 3.14Å; V520-M522 HydrophobicContact CG1-CG 4.32Å; V520-M522 HydrophobicContact CG1-SD 4.5Å
523	E	93.7	Very high	88.2	Confident	45 Å²	45	24.4 Å²	24.4	21%	0.21	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58	147.7	167.1	68.1	-177.2	126.5	0	0	111.5	I506 T507 K588	I506-E523 HydrophobicContact CD1-CG 3.39Å; I506-E523 HydrophobicContact CG1-CG 4.2Å; T507-E523 WeakPolarHBondContact CB-OE1 3.46Å; T507-E523 PolarHBondContact N-OE1 2.84Å; T507-E523 PolarHBondContact O-N 2.92Å; T507-E523 VanDerWaalsContact O-N 3.13Å; T507-E523 PolarHBondContact OG1-OE1 3.33Å; E523-K588 WeakPolarHBondContact OE1-CD 3.36Å; E523-K588 IonicContact OE1-NZ 3.86Å; E523-K588 PolarHBondContact OE1-NZ 3.42Å; E523-K588 IonicContact OE2-NZ 3.44Å; E523-K588 PolarHBondContact OE2-NZ 3.42Å
524	K	93.6	Very high	87.8	Confident	53 Å²	53	24.5 Å²	24.5	23%	0.23	12%	0.12	C	C	.	.	P	Polyproline II helix	trans	-93	121.3	178.2	-161.6	-165.1	167.7	-170.7	0	110.7	E450 L452 R471 A473	E450-K524 IonicContact OE1-NZ 3.33Å; E450-K524 PolarHBondContact OE1-NZ 3.19Å; L452-K524 HydrophobicContact CD1-CG 4.21Å; R471-K524 HydrophobicContact CB-CB 4.3Å; R471-K524 HydrophobicContact CB-CD 4.07Å; A473-K524 HydrophobicContact CB-CG 4.5Å
525	M	93.3	Very high	87.6	Confident	20 Å²	20	27.4 Å²	27.4	10%	0.099	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-92.6	165.9	170	-57.9	-64.4	-81.9	0	0	110.9	I506 L576 L577 N578 K588	I506-M525 HydrophobicContact CD1-CG 3.71Å; I506-M525 HydrophobicContact CD1-SD 4.41Å; M525-L576 HydrophobicContact CB-CB 3.81Å; M525-L576 HydrophobicContact CB-CD1 4.17Å; M525-L576 HydrophobicContact CB-CG 4.49Å; M525-L576 HydrophobicContact CE-CB 4.1Å; M525-L576 HydrophobicContact CG-CB 3.7Å; M525-L576 HydrophobicContact CG-CD1 3.86Å; M525-L576 HydrophobicContact CG-CG 4.42Å; M525-L577 VanDerWaalsContact CE-C 3.5Å; M525-N578 HydrophobicContact CE-CB 4.01Å; M525-K588 HydrophobicContact CE-CB 3.94Å; M525-K588 HydrophobicContact CE-CD 3.83Å; M525-K588 HydrophobicContact CE-CG 3.72Å; M525-K588 HydrophobicContact SD-CD 3.97Å
526	E	89.1	Confident	87.6	Confident	91 Å²	91	26 Å²	26	43%	0.425	14%	0.136	S	C	.	.	S	Bend	trans	-94.8	-27.7	-174.7	-68.1	-158.1	155.2	0	0	114.4	L577 N578 S579	E526-L577 PolarHBondContact N-O 3.03Å; E526-N578 WeakPolarHBondContact CG-O 3.47Å; E526-S579 WeakPolarHBondContact OE2-CA 3.28Å
527	G	88	Confident	87.5	Confident	5 Å²	5	35 Å²	35	5%	0.052	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	-164	177.1	0	0	0	0	0	112.3	L576 L577	G527-L576 CarbonylContact O-C 3.49Å; G527-L576 WeakPolarHBondContact O-CA 3.48Å; G527-L577 PolarHBondContact N-O 3.16Å; G527-L577 PolarHBondContact O-N 2.9Å
528	D	90.8	Very high	87.1	Confident	11 Å²	11	38.7 Å²	38.7	6%	0.059	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	162.2	-179.6	62.1	67.3	0	0	0	111.2	R265 L530 E531 M532 V575 L576	R265-D528 IonicContact CZ-OD2 3.63Å; R265-D528 IonicContact NH2-OD1 2.76Å; R265-D528 IonicContact NH2-OD2 3.58Å; R265-D528 PolarHBondContact NH2-OD2 2.92Å; D528-L530 VanDerWaalsContact C-N 3.27Å; D528-L530 PolarHBondContact O-N 3.24Å; D528-L530 WeakPolarHBondContact OD1-CA 3.32Å; D528-L530 WeakPolarHBondContact OD1-CB 3.33Å; D528-L530 PolarHBondContact OD1-N 2.91Å; D528-L530 VanDerWaalsContact OD1-N 3.17Å; D528-E531 WeakPolarHBondContact O-CB 3.45Å; D528-E531 PolarHBondContact O-N 3.2Å; D528-E531 PolarHBondContact OD1-N 3.38Å; D528-M532 PolarHBondContact O-N 2.82Å; D528-M532 VanDerWaalsContact O-N 3.13Å; D528-V575 CarbonylContact C-O 3.45Å; D528-V575 WeakPolarHBondContact CA-O 3.4Å; D528-L576 HydrophobicContact CB-CD2 4.12Å
529	M	93.2	Very high	86.8	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-66.1	-29.4	-177.1	-173.5	-175.7	-178.1	0	0	112.1	M532 I533 L549 I553 P572 V575 V636 T640	M529-M532 WeakPolarHBondContact O-CB 3.49Å; M529-M532 PolarHBondContact O-N 3.26Å; M529-I533 HydrophobicContact CG-CD1 4.26Å; M529-I533 WeakPolarHBondContact O-CD1 3.39Å; M529-I533 VanDerWaalsContact O-CG1 3.26Å; M529-I533 WeakPolarHBondContact O-CG1 3.15Å; M529-I533 PolarHBondContact O-N 3.37Å; M529-L549 HydrophobicContact CE-CB 4.14Å; M529-L549 HydrophobicContact CE-CD1 3.86Å; M529-L549 HydrophobicContact CG-CD1 4.27Å; M529-I553 HydrophobicContact SD-CD1 4.1Å; M529-P572 HydrophobicContact CB-CB 4.04Å; M529-P572 WeakPolarHBondContact CB-O 3.34Å; M529-P572 HydrophobicContact CG-CB 4.16Å; M529-P572 PolarHBondContact N-O 2.95Å; M529-P572 HydrophobicContact SD-CB 4.36Å; M529-V575 HydrophobicContact CB-CB 3.87Å; M529-V575 HydrophobicContact CB-CG1 4.1Å; M529-V575 PolarHBondContact N-O 2.81Å; M529-V575 HydrophobicContact SD-CB 4.2Å; M529-V575 HydrophobicContact SD-CG1 4.16Å; M529-V575 HydrophobicContact SD-CG2 4.33Å; M529-V636 HydrophobicContact CE-CG1 4.08Å; M529-V636 HydrophobicContact SD-CG1 4.21Å; M529-T640 HydrophobicContact CE-CG2 3.73Å; M529-T640 VanDerWaalsContact CE-OG1 3.24Å; M529-T640 WeakPolarHBondContact CE-OG1 3.42Å
530	L	88.4	Confident	86.7	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-64.3	-44.1	172.2	-179.9	63	0	0	0	111.2	L263 R265 D528 M532 I533 L534 P572 E573	L263-L530 HydrophobicContact CD1-CD1 3.94Å; L263-L530 HydrophobicContact CD2-CD1 3.45Å; L263-L530 VanDerWaalsContact CD2-CD1 3.45Å; L263-L530 HydrophobicContact CG-CD1 3.61Å; R265-L530 HydrophobicContact CB-CD2 4.38Å; R265-L530 HydrophobicContact CG-CD2 4.05Å; D528-L530 VanDerWaalsContact C-N 3.27Å; D528-L530 PolarHBondContact O-N 3.24Å; D528-L530 WeakPolarHBondContact OD1-CA 3.32Å; D528-L530 WeakPolarHBondContact OD1-CB 3.33Å; D528-L530 PolarHBondContact OD1-N 2.91Å; D528-L530 VanDerWaalsContact OD1-N 3.17Å; L530-M532 VanDerWaalsContact C-N 3.26Å; L530-M532 PolarHBondContact O-N 2.7Å; L530-I533 PolarHBondContact O-N 2.83Å; L530-L534 HydrophobicContact CD1-CD1 3.85Å; L530-L534 HydrophobicContact CD1-CG 3.9Å; L530-L534 HydrophobicContact CD2-CD1 4.26Å; L530-L534 HydrophobicContact CG-CD1 3.78Å; L530-L534 HydrophobicContact CG-CG 4.21Å; L530-L534 WeakPolarHBondContact O-CB 3.34Å; L530-L534 WeakPolarHBondContact O-CG 3.43Å; L530-L534 PolarHBondContact O-N 2.74Å; L530-P572 HydrophobicContact CB-CB 4.06Å; L530-P572 PolarHBondContact N-O 3.42Å; L530-E573 HydrophobicContact CB-CG 4.02Å; L530-E573 HydrophobicContact CD2-CG 3.5Å; L530-E573 VanDerWaalsContact CD2-CG 3.5Å; L530-E573 HydrophobicContact CG-CG 4.36Å
531	E	82.2	Confident	86.8	Confident	10 Å²	10	42 Å²	42	5%	0.047	21%	0.21	C	C	.	.	H	α-helix	trans	-61.1	-37.2	175.8	-168.7	166.5	143.2	0	0	111.5	R265 S271 R273 D528 S535	R265-E531 IonicContact CZ-OE2 2.87Å; R265-E531 IonicContact NH1-OE2 3.65Å; R265-E531 PolarHBondContact NH1-OE2 3.17Å; R265-E531 VanDerWaalsContact NH1-OE2 3.09Å; R265-E531 IonicContact NH2-OE2 3.94Å; R265-E531 PolarHBondContact NH2-OE2 3.39Å; S271-E531 WeakPolarHBondContact CB-OE2 3.36Å; S271-E531 PolarHBondContact OG-OE2 3.06Å; R273-E531 WeakPolarHBondContact CG-OE1 3.32Å; R273-E531 IonicContact CZ-OE1 2.75Å; R273-E531 IonicContact NE-OE1 3.3Å; R273-E531 PolarHBondContact NE-OE1 3.28Å; R273-E531 IonicContact NH2-OE1 3.83Å; D528-E531 WeakPolarHBondContact O-CB 3.45Å; D528-E531 PolarHBondContact O-N 3.2Å; D528-E531 PolarHBondContact OD1-N 3.38Å; E531-S535 WeakPolarHBondContact O-CB 3.27Å; E531-S535 PolarHBondContact O-N 2.89Å; E531-S535 PolarHBondContact O-OG 3.17Å
532	M	87.6	Confident	86.9	Confident	25 Å²	25	45.8 Å²	45.8	12%	0.123	24%	0.235	C	C	.	.	H	α-helix	trans	-64.7	-46.9	175.4	-167.7	-177.4	-172.5	0	0	111.8	D528 M529 L530 S535 S536 L541 V545 L549 L577	D528-M532 PolarHBondContact O-N 2.82Å; D528-M532 VanDerWaalsContact O-N 3.13Å; M529-M532 WeakPolarHBondContact O-CB 3.49Å; M529-M532 PolarHBondContact O-N 3.26Å; L530-M532 VanDerWaalsContact C-N 3.26Å; L530-M532 PolarHBondContact O-N 2.7Å; M532-S535 PolarHBondContact O-N 2.93Å; M532-S536 PolarHBondContact O-N 3.36Å; M532-S536 VanDerWaalsContact O-N 3.17Å; M532-L541 HydrophobicContact CE-CD1 4.5Å; M532-L541 HydrophobicContact CG-CD1 4.16Å; M532-L541 HydrophobicContact CG-CD2 4.21Å; M532-L541 HydrophobicContact SD-CD1 3.99Å; M532-V545 HydrophobicContact CE-CG1 3.68Å; M532-L549 HydrophobicContact SD-CD1 3.91Å; M532-L577 HydrophobicContact CB-CD1 3.79Å; M532-L577 HydrophobicContact CG-CD1 4.24Å; M532-L577 HydrophobicContact SD-CD1 3.79Å
533	I	83.7	Confident	87	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.1	-49.9	176.2	-64.5	159.7	0	0	0	110.7	L263 M529 L530 S535 S536 G539 L541 P572 T640	L263-I533 HydrophobicContact CD2-CB 4.25Å; L263-I533 HydrophobicContact CD2-CD1 4.49Å; L263-I533 HydrophobicContact CD2-CG2 3.53Å; M529-I533 HydrophobicContact CG-CD1 4.26Å; M529-I533 WeakPolarHBondContact O-CD1 3.39Å; M529-I533 VanDerWaalsContact O-CG1 3.26Å; M529-I533 WeakPolarHBondContact O-CG1 3.15Å; M529-I533 PolarHBondContact O-N 3.37Å; L530-I533 PolarHBondContact O-N 2.83Å; I533-S535 VanDerWaalsContact C-N 3.32Å; I533-S535 PolarHBondContact O-N 2.96Å; I533-S536 VanDerWaalsContact O-CB 3.24Å; I533-S536 WeakPolarHBondContact O-CB 3.4Å; I533-S536 PolarHBondContact O-N 3.38Å; I533-G539 VanDerWaalsContact CG2-O 3.23Å; I533-G539 WeakPolarHBondContact CG2-O 3.48Å; I533-G539 CarbonylContact O-C 3.59Å; I533-L541 HydrophobicContact CG1-CD1 3.97Å; I533-L541 HydrophobicContact CG1-CG 3.96Å; I533-P572 HydrophobicContact CD1-CB 4.05Å; I533-P572 HydrophobicContact CD1-CG 4.21Å; I533-T640 HydrophobicContact CD1-CG2 4.17Å; I533-T640 HydrophobicContact CG1-CG2 4.15Å
534	L	79.9	Confident	87.2	Confident	63 Å²	63	50.1 Å²	50.1	33%	0.33	25%	0.25	S	S	.	.	H	α-helix	trans	-71.1	-23.7	-178.3	-65.5	178.8	0	0	0	113.7	L263 R265 L530	L263-L534 HydrophobicContact CB-CD2 4.21Å; L263-L534 HydrophobicContact CD2-CD2 4.18Å; L263-L534 HydrophobicContact CG-CD2 4.08Å; L263-L534 WeakPolarHBondContact O-CD2 3.39Å; R265-L534 HydrophobicContact CB-CD1 4.05Å; L530-L534 HydrophobicContact CD1-CD1 3.85Å; L530-L534 HydrophobicContact CD1-CG 3.9Å; L530-L534 HydrophobicContact CD2-CD1 4.26Å; L530-L534 HydrophobicContact CG-CD1 3.78Å; L530-L534 HydrophobicContact CG-CG 4.21Å; L530-L534 WeakPolarHBondContact O-CB 3.34Å; L530-L534 WeakPolarHBondContact O-CG 3.43Å; L530-L534 PolarHBondContact O-N 2.74Å
535	S	78.7	Confident	87.4	Confident	67 Å²	67	47.9 Å²	47.9	47%	0.469	24%	0.241	S	C	.	.	H	α-helix	trans	-82.6	-15.1	173.7	-61	0	0	0	0	113	E531 M532 I533	E531-S535 WeakPolarHBondContact O-CB 3.27Å; E531-S535 PolarHBondContact O-N 2.89Å; E531-S535 PolarHBondContact O-OG 3.17Å; M532-S535 PolarHBondContact O-N 2.93Å; I533-S535 VanDerWaalsContact C-N 3.32Å; I533-S535 PolarHBondContact O-N 2.96Å
536	S	80.3	Confident	87.6	Confident	36 Å²	36	47 Å²	47	25%	0.252	24%	0.236	S	C	.	.	S	Bend	trans	-62.9	137.8	172.2	178.4	0	0	0	0	110.5	M532 I533 L538 G539 R540	M532-S536 PolarHBondContact O-N 3.36Å; M532-S536 VanDerWaalsContact O-N 3.17Å; I533-S536 VanDerWaalsContact O-CB 3.24Å; I533-S536 WeakPolarHBondContact O-CB 3.4Å; I533-S536 PolarHBondContact O-N 3.38Å; S536-L538 PolarHBondContact O-N 3.44Å; S536-L538 PolarHBondContact OG-N 3.13Å; S536-G539 PolarHBondContact O-N 3.33Å; S536-R540 VanDerWaalsContact CB-O 3.23Å; S536-R540 WeakPolarHBondContact CB-O 3.47Å; S536-R540 PolarHBondContact OG-O 3Å
537	R	76.9	Confident	88.1	Confident	248 Å²	248	44 Å²	44	94%	0.936	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-25.5	176.3	178.9	174.9	174.6	176.6	-2.2	113.1
538	L	77	Confident	88.6	Confident	116 Å²	116	43.8 Å²	43.8	61%	0.607	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96	-5.5	-179.4	-58.9	179	0	0	0	113.4	S536 R540	S536-L538 PolarHBondContact O-N 3.44Å; S536-L538 PolarHBondContact OG-N 3.13Å; L538-R540 HydrophobicContact CB-CG 3.68Å; L538-R540 PolarHBondContact O-N 3.19Å
539	G	79.3	Confident	88.9	Confident	27 Å²	27	43.3 Å²	43.3	28%	0.278	22%	0.217	S	C	.	.	S	Bend	trans	67.2	10.3	-169.3	0	0	0	0	0	114.4	I533 S536 G643	I533-G539 VanDerWaalsContact CG2-O 3.23Å; I533-G539 WeakPolarHBondContact CG2-O 3.48Å; I533-G539 CarbonylContact O-C 3.59Å; S536-G539 PolarHBondContact O-N 3.33Å; G539-G643 VanDerWaalsContact O-CA 3.25Å; G539-G643 WeakPolarHBondContact O-CA 3.3Å
540	R	86.3	Confident	89.2	Confident	33 Å²	33	43.3 Å²	43.3	13%	0.125	22%	0.217	C	C	.	.	S	Bend	trans	-146.2	159.4	-179.4	58.1	171.1	173.7	119.9	-2.7	110.6	S536 L538 L641 E671	S536-R540 VanDerWaalsContact CB-O 3.23Å; S536-R540 WeakPolarHBondContact CB-O 3.47Å; S536-R540 PolarHBondContact OG-O 3Å; L538-R540 HydrophobicContact CB-CG 3.68Å; L538-R540 PolarHBondContact O-N 3.19Å; R540-L641 WeakPolarHBondContact CD-O 3.43Å; R540-E671 IonicContact CZ-OE2 2.85Å; R540-E671 IonicContact NH1-OE2 3.23Å; R540-E671 PolarHBondContact NH1-OE2 3.41Å; R540-E671 IonicContact NH2-OE1 3.02Å; R540-E671 IonicContact NH2-OE2 3.78Å; R540-E671 PolarHBondContact NH2-OE2 3.26Å
541	L	92.4	Very high	89.6	Confident	15 Å²	15	43.8 Å²	43.8	8%	0.079	22%	0.22	C	C	.	.			trans	-100.8	155.3	173.8	-53.1	-178	0	0	0	110.8	M532 I533 V545 L549 T640	M532-L541 HydrophobicContact CE-CD1 4.5Å; M532-L541 HydrophobicContact CG-CD1 4.16Å; M532-L541 HydrophobicContact CG-CD2 4.21Å; M532-L541 HydrophobicContact SD-CD1 3.99Å; I533-L541 HydrophobicContact CG1-CD1 3.97Å; I533-L541 HydrophobicContact CG1-CG 3.96Å; L541-V545 HydrophobicContact CB-CG1 4.39Å; L541-V545 HydrophobicContact CD1-CG1 3.94Å; L541-L549 HydrophobicContact CD1-CD1 3.79Å; L541-T640 HydrophobicContact CB-CG2 3.87Å; L541-T640 HydrophobicContact CD1-CG2 3.76Å; L541-T640 HydrophobicContact CG-CG2 3.95Å; L541-T640 PolarHBondContact N-O 3.5Å
542	C	95.6	Very high	90.4	Very high	78 Å²	78	43.3 Å²	43.3	53%	0.527	22%	0.218	S	C	.	.			trans	-80.6	158.7	173.9	68	0	0	0	0	111.2	R544 V545 T546	C542-R544 VanDerWaalsContact C-N 3.33Å; C542-R544 PolarHBondContact O-N 3.26Å; C542-V545 PolarHBondContact O-N 3.19Å; C542-V545 VanDerWaalsContact O-N 3.14Å; C542-T546 PolarHBondContact O-N 2.66Å; C542-T546 PolarHBondContact O-OG1 3.37Å; C542-T546 VanDerWaalsContact O-OG1 3.09Å
543	E	97.8	Very high	90.9	Very high	39 Å²	39	42.1 Å²	42.1	18%	0.182	21%	0.212	C	C	.	.	H	α-helix	trans	-55	-42	-175.2	-71.5	-173	-135.9	0	0	114.2	V545 T546 K547 L641 S673 W702	E543-V545 VanDerWaalsContact C-N 3.3Å; E543-V545 PolarHBondContact O-N 3.48Å; E543-T546 PolarHBondContact O-N 2.69Å; E543-T546 VanDerWaalsContact O-N 3.16Å; E543-K547 WeakPolarHBondContact O-CB 3.45Å; E543-K547 WeakPolarHBondContact O-CG 3.4Å; E543-K547 PolarHBondContact O-N 2.99Å; E543-L641 HydrophobicContact CG-CD2 3.83Å; E543-S673 VanDerWaalsContact CD-OG 3.28Å; E543-S673 WeakPolarHBondContact OE1-CB 3.46Å; E543-S673 PolarHBondContact OE1-N 3.46Å; E543-S673 PolarHBondContact OE1-OG 2.67Å; E543-S673 PolarHBondContact OE2-OG 3.4Å; E543-W702 HydrophobicContact CB-CZ2 4.35Å; E543-W702 HydrophobicContact CG-CZ2 4.21Å; E543-W702 PolarHBondContact OE2-NE1 3.42Å
544	R	97.4	Very high	91.6	Very high	115 Å²	115	42.1 Å²	42.1	43%	0.434	21%	0.212	S	C	.	.	H	α-helix	trans	-56.3	-45.1	179.8	-179.6	177.1	170.5	-177	-1.4	111.9	C542 F548 F584 D711	C542-R544 VanDerWaalsContact C-N 3.33Å; C542-R544 PolarHBondContact O-N 3.26Å; R544-F548 WeakPolarHBondContact O-CB 3.49Å; R544-F548 PolarHBondContact O-N 3.38Å; R544-F584 HydrophobicContact CG-CE1 4.22Å; R544-F584 HydrophobicContact CG-CZ 4.35Å; R544-D711 IonicContact CZ-OD1 3.37Å; R544-D711 IonicContact CZ-OD2 3.49Å; R544-D711 VanDerWaalsContact CZ-OD2 3.29Å; R544-D711 IonicContact NE-OD1 3.91Å; R544-D711 IonicContact NE-OD2 3.62Å; R544-D711 PolarHBondContact NE-OD2 2.86Å; R544-D711 VanDerWaalsContact NH2-CG 3.28Å; R544-D711 IonicContact NH2-OD1 3.38Å; R544-D711 PolarHBondContact NH2-OD1 2.89Å; R544-D711 IonicContact NH2-OD2 2.69Å; R544-D711 PolarHBondContact NH2-OD2 3.23Å
545	V	97.4	Very high	92.5	Very high	7 Å²	7	40.1 Å²	40.1	4%	0.042	20%	0.201	C	C	.	.	H	α-helix	trans	-69.8	-44.6	177.1	175.1	0	0	0	0	110.5	M532 L541 C542 E543 K547 F548 L549 N583 F584	M532-V545 HydrophobicContact CE-CG1 3.68Å; L541-V545 HydrophobicContact CB-CG1 4.39Å; L541-V545 HydrophobicContact CD1-CG1 3.94Å; C542-V545 PolarHBondContact O-N 3.19Å; C542-V545 VanDerWaalsContact O-N 3.14Å; E543-V545 VanDerWaalsContact C-N 3.3Å; E543-V545 PolarHBondContact O-N 3.48Å; V545-K547 PolarHBondContact O-N 3.4Å; V545-F548 PolarHBondContact O-N 3.25Å; V545-L549 HydrophobicContact CG1-CD1 3.96Å; V545-L549 HydrophobicContact CG1-CG 4.41Å; V545-L549 WeakPolarHBondContact O-CG 3.44Å; V545-L549 PolarHBondContact O-N 3.5Å; V545-N583 HydrophobicContact CG2-CB 3.91Å; V545-F584 HydrophobicContact CG2-CE1 4.45Å
546	T	98.2	Very high	93.4	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-59.4	-49.7	179.2	-52.2	0	0	0	0	111.7	C542 E543 F548 L549 I550 T640 L641 W702	C542-T546 PolarHBondContact O-N 2.66Å; C542-T546 PolarHBondContact O-OG1 3.37Å; C542-T546 VanDerWaalsContact O-OG1 3.09Å; E543-T546 PolarHBondContact O-N 2.69Å; E543-T546 VanDerWaalsContact O-N 3.16Å; T546-F548 VanDerWaalsContact C-N 3.29Å; T546-F548 PolarHBondContact O-N 2.77Å; T546-L549 PolarHBondContact O-N 3.08Å; T546-I550 HydrophobicContact CG2-CG1 4Å; T546-I550 WeakPolarHBondContact O-CB 3.41Å; T546-I550 WeakPolarHBondContact O-CG1 3.34Å; T546-I550 PolarHBondContact O-N 2.92Å; T546-T640 HydrophobicContact CG2-CG2 3.74Å; T546-T640 WeakPolarHBondContact OG1-CG2 3.33Å; T546-L641 HydrophobicContact CG2-CD2 3.98Å; T546-L641 HydrophobicContact CG2-CG 4.13Å; T546-L641 WeakPolarHBondContact OG1-CD2 3.4Å; T546-W702 HydrophobicContact CG2-CH2 3.9Å
547	K	98.4	Very high	94.3	Very high	30 Å²	30	35.2 Å²	35.2	13%	0.13	17%	0.167	C	C	.	.	H	α-helix	trans	-53.4	-46.7	176.2	-69.9	175	-175.2	-157.9	0	111.6	E543 V545 L549 I550 V551 W702 L703 L708	E543-K547 WeakPolarHBondContact O-CB 3.45Å; E543-K547 WeakPolarHBondContact O-CG 3.4Å; E543-K547 PolarHBondContact O-N 2.99Å; V545-K547 PolarHBondContact O-N 3.4Å; K547-L549 PolarHBondContact O-N 3.01Å; K547-I550 PolarHBondContact O-N 2.92Å; K547-V551 WeakPolarHBondContact O-CG2 3.46Å; K547-V551 PolarHBondContact O-N 3.48Å; K547-W702 HydrophobicContact CD-CD2 4.45Å; K547-W702 VanDerWaalsContact CD-O 3.3Å; K547-W702 WeakPolarHBondContact CD-O 3.32Å; K547-W702 VanDerWaalsContact CE-CE2 3.43Å; K547-W702 WeakPolarHBondContact CE-O 3.48Å; K547-W702 HydrophobicContact CG-CD2 3.96Å; K547-W702 HydrophobicContact CG-CE3 3.98Å; K547-W702 HydrophobicContact CG-CH2 3.79Å; K547-W702 HydrophobicContact CG-CZ2 3.69Å; K547-W702 HydrophobicContact CG-CZ3 3.92Å; K547-W702 PolarHBondContact NZ-O 2.82Å; K547-L703 HydrophobicContact CB-CD2 4.08Å; K547-L703 HydrophobicContact CG-CD2 4.04Å; K547-L708 HydrophobicContact CB-CD1 3.87Å; K547-L708 HydrophobicContact CB-CD2 3.91Å; K547-L708 HydrophobicContact CB-CG 4.46Å; K547-L708 HydrophobicContact CD-CD2 4.47Å
548	F	98.1	Very high	95.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-62.8	-38.9	179.7	171.3	-89.2	0	0	0	113.5	R544 V545 T546 Q552 F584 P585 L708 D711 L712 L715	R544-F548 WeakPolarHBondContact O-CB 3.49Å; R544-F548 PolarHBondContact O-N 3.38Å; V545-F548 PolarHBondContact O-N 3.25Å; T546-F548 VanDerWaalsContact C-N 3.29Å; T546-F548 PolarHBondContact O-N 2.77Å; F548-Q552 WeakPolarHBondContact O-CG 3.3Å; F548-Q552 PolarHBondContact O-NE2 3.5Å; F548-F584 HydrophobicContact CB-CD1 4.29Å; F548-F584 HydrophobicContact CD1-CB 4.35Å; F548-F584 AromaticContact CD1-CD1 3.93Å; F548-F584 HydrophobicContact CD1-CD1 3.93Å; F548-F584 AromaticContact CD2-CD1 3.95Å; F548-F584 HydrophobicContact CD2-CD1 3.95Å; F548-F584 HydrophobicContact CE1-CB 3.79Å; F548-F584 HydrophobicContact CE1-CD1 4.2Å; F548-F584 HydrophobicContact CE2-CB 4.15Å; F548-F584 HydrophobicContact CE2-CD1 4.21Å; F548-F584 AromaticContact CG-CD1 3.79Å; F548-F584 HydrophobicContact CG-CD1 3.79Å; F548-F584 HydrophobicContact CZ-CB 3.65Å; F548-F584 HydrophobicContact CZ-CD1 4.32Å; F548-P585 VanDerWaalsContact CE1-O 3.23Å; F548-P585 WeakPolarHBondContact CE1-O 3.32Å; F548-L708 VanDerWaalsContact CA-CD1 3.46Å; F548-L708 HydrophobicContact CB-CD1 3.92Å; F548-D711 HydrophobicContact CD2-CB 3.78Å; F548-D711 HydrophobicContact CE2-CB 4.17Å; F548-L712 HydrophobicContact CD2-CD2 3.72Å; F548-L712 HydrophobicContact CD2-CG 4.03Å; F548-L712 HydrophobicContact CE2-CD2 3.99Å; F548-L712 HydrophobicContact CE2-CG 4.43Å; F548-L712 HydrophobicContact CG-CD2 4.47Å; F548-L715 HydrophobicContact CE2-CB 4.14Å; F548-L715 HydrophobicContact CE2-CD2 4.28Å; F548-L715 HydrophobicContact CZ-CB 4.08Å; F548-L715 HydrophobicContact CZ-CD2 3.75Å; F548-L715 HydrophobicContact CZ-CG 4.35Å
549	L	98.4	Very high	96.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-71.6	-40.7	174.1	-61.2	170.6	0	0	0	111.1	M529 M532 L541 V545 T546 K547 Q552 I553 L577 P585 T587	M529-L549 HydrophobicContact CE-CB 4.14Å; M529-L549 HydrophobicContact CE-CD1 3.86Å; M529-L549 HydrophobicContact CG-CD1 4.27Å; M532-L549 HydrophobicContact SD-CD1 3.91Å; L541-L549 HydrophobicContact CD1-CD1 3.79Å; V545-L549 HydrophobicContact CG1-CD1 3.96Å; V545-L549 HydrophobicContact CG1-CG 4.41Å; V545-L549 WeakPolarHBondContact O-CG 3.44Å; V545-L549 PolarHBondContact O-N 3.5Å; T546-L549 PolarHBondContact O-N 3.08Å; K547-L549 PolarHBondContact O-N 3.01Å; L549-Q552 PolarHBondContact O-N 3.38Å; L549-I553 WeakPolarHBondContact O-CG1 3.38Å; L549-I553 PolarHBondContact O-N 2.91Å; L549-I553 VanDerWaalsContact O-N 3.08Å; L549-L577 HydrophobicContact CD2-CD2 4.29Å; L549-P585 HydrophobicContact CD2-CG 4.17Å; L549-T587 HydrophobicContact CB-CG2 4.35Å; L549-T587 HydrophobicContact CD2-CG2 3.41Å; L549-T587 VanDerWaalsContact CD2-CG2 3.41Å; L549-T587 HydrophobicContact CG-CG2 4.48Å
550	I	98.3	Very high	97	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-68.3	-37.9	-176.1	-68.7	-69.9	0	0	0	112.8	T546 K547 Q552 I553 L554 L633 V636 I637 L703	T546-I550 HydrophobicContact CG2-CG1 4Å; T546-I550 WeakPolarHBondContact O-CB 3.41Å; T546-I550 WeakPolarHBondContact O-CG1 3.34Å; T546-I550 PolarHBondContact O-N 2.92Å; K547-I550 PolarHBondContact O-N 2.92Å; I550-Q552 VanDerWaalsContact C-N 3.31Å; I550-Q552 PolarHBondContact O-N 2.94Å; I550-I553 HydrophobicContact CD1-CD1 4.17Å; I550-I553 PolarHBondContact O-N 3.18Å; I550-L554 HydrophobicContact CG2-CD1 3.88Å; I550-L554 HydrophobicContact CG2-CG 4.41Å; I550-L554 WeakPolarHBondContact O-CB 3.47Å; I550-L554 WeakPolarHBondContact O-CG 3.26Å; I550-L554 PolarHBondContact O-N 3.3Å; I550-L633 HydrophobicContact CD1-CD1 3.67Å; I550-L633 HydrophobicContact CD1-CG 4.49Å; I550-L633 HydrophobicContact CG2-CD1 4.5Å; I550-V636 HydrophobicContact CD1-CG1 4.13Å; I550-I637 HydrophobicContact CD1-CD1 4.17Å; I550-I637 HydrophobicContact CD1-CG1 3.38Å; I550-I637 HydrophobicContact CG1-CD1 4.48Å; I550-I637 HydrophobicContact CG1-CG1 3.83Å; I550-I637 HydrophobicContact CG2-CD1 4.17Å; I550-I637 HydrophobicContact CG2-CG1 4.43Å; I550-L703 HydrophobicContact CG2-CD1 4.5Å
551	V	98.2	Very high	97.5	Very high	10 Å²	10	21.2 Å²	21.2	6%	0.061	10%	0.101	C	C	.	.	H	α-helix	trans	-62.3	-39.8	174.2	173	0	0	0	0	111.5	K547 L554 K555 L698 L703 L708 L712	K547-V551 WeakPolarHBondContact O-CG2 3.46Å; K547-V551 PolarHBondContact O-N 3.48Å; V551-L554 PolarHBondContact O-N 2.87Å; V551-K555 WeakPolarHBondContact O-CB 3.23Å; V551-K555 WeakPolarHBondContact O-CG 3.24Å; V551-K555 PolarHBondContact O-N 2.85Å; V551-L698 HydrophobicContact CG1-CD2 4.44Å; V551-L703 HydrophobicContact CG2-CD1 4.17Å; V551-L703 HydrophobicContact CG2-CD2 4.11Å; V551-L708 HydrophobicContact CG2-CD1 4.48Å; V551-L708 HydrophobicContact CG2-CD2 4.07Å; V551-L712 HydrophobicContact CB-CD1 4.07Å; V551-L712 HydrophobicContact CB-CD2 4.27Å; V551-L712 HydrophobicContact CG1-CD1 3.7Å; V551-L712 HydrophobicContact CG1-CD2 4.21Å; V551-L712 HydrophobicContact CG2-CD1 4.3Å
552	Q	98.3	Very high	97.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-66.9	-40.4	176.8	-63.1	-178	68.6	0	0	112.2	F548 L549 I550 K555 A556 P585 T587 L712 L724	F548-Q552 WeakPolarHBondContact O-CG 3.3Å; F548-Q552 PolarHBondContact O-NE2 3.5Å; L549-Q552 PolarHBondContact O-N 3.38Å; I550-Q552 VanDerWaalsContact C-N 3.31Å; I550-Q552 PolarHBondContact O-N 2.94Å; Q552-K555 PolarHBondContact O-N 2.82Å; Q552-A556 PolarHBondContact O-N 2.81Å; Q552-P585 PolarHBondContact NE2-O 2.99Å; Q552-T587 HydrophobicContact CB-CG2 4.39Å; Q552-T587 WeakPolarHBondContact CB-OG1 2.98Å; Q552-T587 PolarHBondContact OE1-OG1 3.44Å; Q552-L712 HydrophobicContact CG-CD2 4.19Å; Q552-L724 HydrophobicContact CB-CD2 4.2Å; Q552-L724 HydrophobicContact CG-CD1 3.81Å; Q552-L724 HydrophobicContact CG-CD2 3.77Å; Q552-L724 HydrophobicContact CG-CG 4.46Å
553	I	98.7	Very high	97.6	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-62.2	-47.8	174	-66.9	160.6	0	0	0	110.6	M529 L549 I550 K555 A556 L557 L570 V575 L589 L633	M529-I553 HydrophobicContact SD-CD1 4.1Å; L549-I553 WeakPolarHBondContact O-CG1 3.38Å; L549-I553 PolarHBondContact O-N 2.91Å; L549-I553 VanDerWaalsContact O-N 3.08Å; I550-I553 HydrophobicContact CD1-CD1 4.17Å; I550-I553 PolarHBondContact O-N 3.18Å; I553-K555 VanDerWaalsContact C-N 3.3Å; I553-K555 PolarHBondContact O-N 2.84Å; I553-A556 PolarHBondContact O-N 2.86Å; I553-A556 VanDerWaalsContact O-N 3.13Å; I553-L557 HydrophobicContact CG2-CD1 4.13Å; I553-L557 HydrophobicContact CG2-CG 4.4Å; I553-L557 WeakPolarHBondContact O-CG 3.25Å; I553-L557 PolarHBondContact O-N 3.35Å; I553-L570 HydrophobicContact CG2-CD1 4.14Å; I553-L570 HydrophobicContact CG2-CD2 4.24Å; I553-V575 HydrophobicContact CD1-CG1 4.05Å; I553-V575 HydrophobicContact CD1-CG2 3.91Å; I553-V575 HydrophobicContact CG1-CG1 4.1Å; I553-V575 HydrophobicContact CG1-CG2 4.15Å; I553-L589 HydrophobicContact CG1-CD2 4.43Å; I553-L589 HydrophobicContact CG2-CD2 4.36Å; I553-L633 HydrophobicContact CB-CD1 4.4Å; I553-L633 HydrophobicContact CG2-CD1 3.65Å
554	L	98.4	Very high	97.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-57.2	-42.6	176.2	-80	163.9	0	0	0	111.8	I550 V551 A556 L557 E558 M630 L633 I694 C697 L698 L703	I550-L554 HydrophobicContact CG2-CD1 3.88Å; I550-L554 HydrophobicContact CG2-CG 4.41Å; I550-L554 WeakPolarHBondContact O-CB 3.47Å; I550-L554 WeakPolarHBondContact O-CG 3.26Å; I550-L554 PolarHBondContact O-N 3.3Å; V551-L554 PolarHBondContact O-N 2.87Å; L554-A556 PolarHBondContact O-N 3.34Å; L554-L557 PolarHBondContact O-N 3.2Å; L554-E558 WeakPolarHBondContact O-CB 3.43Å; L554-E558 PolarHBondContact O-N 2.95Å; L554-M630 HydrophobicContact CD2-CE 3.88Å; L554-M630 HydrophobicContact CD2-SD 4.39Å; L554-L633 HydrophobicContact CD1-CD2 4.46Å; L554-L633 HydrophobicContact CD2-CD2 3.48Å; L554-L633 VanDerWaalsContact CD2-CD2 3.48Å; L554-L633 HydrophobicContact CG-CD2 3.85Å; L554-I694 HydrophobicContact CD2-CG2 4.22Å; L554-C697 HydrophobicContact CD1-CB 4.48Å; L554-C697 HydrophobicContact CD2-CB 4.02Å; L554-L698 HydrophobicContact CB-CD2 3.8Å; L554-L698 HydrophobicContact CB-CG 4.17Å; L554-L698 HydrophobicContact CD1-CD2 3.81Å; L554-L698 HydrophobicContact CD1-CG 4.17Å; L554-L698 HydrophobicContact CG-CD2 4.4Å; L554-L703 HydrophobicContact CD1-CD1 3.57Å
555	K	97.9	Very high	97.2	Very high	21 Å²	21	19.7 Å²	19.7	9%	0.091	11%	0.106	C	C	.	.	H	α-helix	trans	-67.2	-32.6	177	-76.1	-72.8	165.4	-154.1	0	113.4	Y502 V551 Q552 I553 E558 Y559 L724	Y502-K555 HydrophobicContact CE1-CB 4.48Å; Y502-K555 WeakPolarHBondContact CE1-O 3.16Å; V551-K555 WeakPolarHBondContact O-CB 3.23Å; V551-K555 WeakPolarHBondContact O-CG 3.24Å; V551-K555 PolarHBondContact O-N 2.85Å; Q552-K555 PolarHBondContact O-N 2.82Å; I553-K555 VanDerWaalsContact C-N 3.3Å; I553-K555 PolarHBondContact O-N 2.84Å; K555-E558 WeakPolarHBondContact CD-OE2 3.1Å; K555-E558 IonicContact NZ-OE1 2.73Å; K555-E558 PolarHBondContact NZ-OE1 3.03Å; K555-E558 IonicContact NZ-OE2 3.97Å; K555-E558 PolarHBondContact NZ-OE2 3.35Å; K555-Y559 PolarHBondContact O-N 3.33Å; K555-L724 HydrophobicContact CB-CD2 4.05Å; K555-L724 HydrophobicContact CG-CD2 4.09Å
556	A	98.1	Very high	97.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-70.7	-39.3	170.9	0	0	0	0	0	112.5	Y502 G504 I505 Q552 I553 L554 L560 L589	Y502-A556 HydrophobicContact CD1-CB 4.47Å; G504-A556 WeakPolarHBondContact O-CB 3.23Å; I505-A556 HydrophobicContact CG1-CB 4.29Å; Q552-A556 PolarHBondContact O-N 2.81Å; I553-A556 PolarHBondContact O-N 2.86Å; I553-A556 VanDerWaalsContact O-N 3.13Å; L554-A556 PolarHBondContact O-N 3.34Å; A556-L560 WeakPolarHBondContact O-CG 3.26Å; A556-L560 PolarHBondContact O-N 3.37Å; A556-L560 VanDerWaalsContact O-N 3.11Å; A556-L589 HydrophobicContact CB-CD1 3.63Å; A556-L589 HydrophobicContact CB-CG 3.81Å
557	L	98.2	Very high	96.9	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-66.7	-38.5	174.1	-67.2	174.9	0	0	0	112	I553 L554 Y559 L560 H561 H567 L570 L589 D629 I694	I553-L557 HydrophobicContact CG2-CD1 4.13Å; I553-L557 HydrophobicContact CG2-CG 4.4Å; I553-L557 WeakPolarHBondContact O-CG 3.25Å; I553-L557 PolarHBondContact O-N 3.35Å; L554-L557 PolarHBondContact O-N 3.2Å; L557-Y559 VanDerWaalsContact C-N 3.33Å; L557-Y559 PolarHBondContact O-N 3.29Å; L557-L560 PolarHBondContact O-N 3.38Å; L557-L560 VanDerWaalsContact O-N 3.15Å; L557-H561 WeakPolarHBondContact O-CB 3.22Å; L557-H561 PolarHBondContact O-CD2 2.97Å; L557-H561 PolarHBondContact O-N 2.64Å; L557-H567 HydrophobicContact CD2-CB 4.37Å; L557-L570 HydrophobicContact CD1-CD2 3.97Å; L557-L589 HydrophobicContact CD2-CD1 4.04Å; L557-L589 HydrophobicContact CG-CD1 4.37Å; L557-D629 HydrophobicContact CD1-CB 4.44Å; L557-D629 HydrophobicContact CD2-CB 4.03Å; L557-I694 HydrophobicContact CB-CD1 3.7Å
558	E	97.4	Very high	96.7	Very high	62 Å²	62	18.1 Å²	18.1	29%	0.29	10%	0.099	S	C	.	.	H	α-helix	trans	-55.9	-49.8	176.7	-170.9	-179.2	-103.7	0	0	110.1	L554 K555 H561 A562 I694 L698	L554-E558 WeakPolarHBondContact O-CB 3.43Å; L554-E558 PolarHBondContact O-N 2.95Å; K555-E558 WeakPolarHBondContact CD-OE2 3.1Å; K555-E558 IonicContact NZ-OE1 2.73Å; K555-E558 PolarHBondContact NZ-OE1 3.03Å; K555-E558 IonicContact NZ-OE2 3.97Å; K555-E558 PolarHBondContact NZ-OE2 3.35Å; E558-H561 PolarHBondContact O-N 3.19Å; E558-A562 WeakPolarHBondContact O-CB 3.47Å; E558-A562 PolarHBondContact O-N 2.85Å; E558-I694 HydrophobicContact CB-CG2 3.94Å; E558-I694 HydrophobicContact CG-CG2 4.29Å; E558-L698 WeakPolarHBondContact OE1-CD1 3.23Å
559	Y	97.4	Very high	96.3	Very high	42 Å²	42	18.3 Å²	18.3	17%	0.165	10%	0.1	C	C	.	.	H	α-helix	trans	-60.3	-46.2	174.7	177.1	-86.2	0	0	0	112.4	I500 K501 Y502 I505 K555 L557 H563	I500-Y559 HydrophobicContact CB-CE1 3.89Å; I500-Y559 HydrophobicContact CG2-CE1 4.08Å; K501-Y559 PolarHBondContact N-OH 2.78Å; K501-Y559 PolarHBondContact O-OH 3.36Å; Y502-Y559 HydrophobicContact CD1-CG 4.33Å; Y502-Y559 HydrophobicContact CD2-CD1 4.49Å; Y502-Y559 AromaticContact CD2-CD2 3.37Å; Y502-Y559 HydrophobicContact CD2-CD2 3.37Å; Y502-Y559 HydrophobicContact CD2-CE2 4.03Å; Y502-Y559 AromaticContact CD2-CG 3.64Å; Y502-Y559 HydrophobicContact CD2-CG 3.64Å; Y502-Y559 HydrophobicContact CE2-CD2 4.09Å; Y502-Y559 HydrophobicContact CE2-CG 4.34Å; Y502-Y559 HydrophobicContact CG-CD1 4.11Å; Y502-Y559 AromaticContact CG-CD2 3.83Å; Y502-Y559 HydrophobicContact CG-CD2 3.83Å; Y502-Y559 HydrophobicContact CG-CE2 4.43Å; Y502-Y559 AromaticContact CG-CG 3.64Å; Y502-Y559 HydrophobicContact CG-CG 3.64Å; I505-Y559 HydrophobicContact CD1-CD1 3.58Å; I505-Y559 HydrophobicContact CD1-CE1 4Å; K555-Y559 PolarHBondContact O-N 3.33Å; L557-Y559 VanDerWaalsContact C-N 3.33Å; L557-Y559 PolarHBondContact O-N 3.29Å; Y559-H563 AromaticContact CD2-CE1 3.77Å; Y559-H563 AromaticContact CE1-CE1 3.96Å; Y559-H563 AromaticContact CE1-ND1 3.9Å; Y559-H563 AromaticContact CE2-CE1 3.28Å; Y559-H563 WeakPolarHBondContact CE2-CE1 3.29Å; Y559-H563 AromaticContact CE2-ND1 3.93Å; Y559-H563 AromaticContact CE2-NE2 3.98Å; Y559-H563 AromaticContact CZ-CE1 3.39Å; Y559-H563 AromaticContact CZ-ND1 3.81Å; Y559-H563 AromaticContact CZ-NE2 3.8Å; Y559-H563 PolarHBondContact O-N 2.94Å; Y559-H563 PolarHBondContact O-ND1 2.77Å
560	L	97.1	Very high	96.2	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-63.7	-45.6	179.7	-73.5	175.1	0	0	0	112.2	I500 I505 A556 L557 A562 H563 D564 I565 H567 L589 F592	I500-L560 HydrophobicContact CD1-CD2 4.06Å; I500-L560 HydrophobicContact CG2-CD2 4.1Å; I505-L560 HydrophobicContact CD1-CD1 4.4Å; I505-L560 HydrophobicContact CD1-CD2 3.69Å; I505-L560 HydrophobicContact CD1-CG 3.81Å; A556-L560 WeakPolarHBondContact O-CG 3.26Å; A556-L560 PolarHBondContact O-N 3.37Å; A556-L560 VanDerWaalsContact O-N 3.11Å; L557-L560 PolarHBondContact O-N 3.38Å; L557-L560 VanDerWaalsContact O-N 3.15Å; L560-A562 VanDerWaalsContact C-N 3.32Å; L560-A562 PolarHBondContact O-N 2.84Å; L560-H563 CarbonylContact O-C 3.49Å; L560-H563 WeakPolarHBondContact O-CA 3.38Å; L560-H563 PolarHBondContact O-N 2.97Å; L560-D564 PolarHBondContact O-N 3.29Å; L560-I565 CarbonylContact C-O 3.46Å; L560-I565 HydrophobicContact CB-CB 4.38Å; L560-I565 HydrophobicContact CD2-CB 4.16Å; L560-I565 HydrophobicContact CD2-CD1 4.39Å; L560-I565 HydrophobicContact CD2-CG2 3.94Å; L560-I565 PolarHBondContact O-N 2.92Å; L560-H567 HydrophobicContact CD1-CB 4.49Å; L560-L589 HydrophobicContact CD1-CD1 4.11Å; L560-F592 HydrophobicContact CD1-CE1 3.86Å; L560-F592 HydrophobicContact CD1-CZ 4.24Å; L560-F592 HydrophobicContact CD2-CE1 3.79Å; L560-F592 HydrophobicContact CD2-CZ 4.35Å; L560-F592 HydrophobicContact CG-CE1 4.5Å
561	H	95.8	Very high	95.9	Very high	25 Å²	25	18.7 Å²	18.7	12%	0.116	10%	0.102	C	C	.	.	H	α-helix	trans	-69.2	-31.9	-176.6	-73.4	-159.9	0	0	0	111.7	L557 E558 H563 D564 I565 K626 D629 I694	L557-H561 WeakPolarHBondContact O-CB 3.22Å; L557-H561 PolarHBondContact O-CD2 2.97Å; L557-H561 PolarHBondContact O-N 2.64Å; E558-H561 PolarHBondContact O-N 3.19Å; H561-H563 PolarHBondContact O-N 2.82Å; H561-D564 PolarHBondContact O-N 3.39Å; H561-I565 PolarHBondContact CD2-O 2.76Å; H561-I565 VanDerWaalsContact CD2-O 3.3Å; H561-K626 HydrophobicContact CB-CD 4.13Å; H561-K626 PolarHBondContact CE1-O 2.87Å; H561-K626 PolarHBondContact NE2-O 2.8Å; H561-K626 PolarHBondContact O-NZ 2.88Å; H561-D629 IonicContact CD2-OD2 3.59Å; H561-D629 IonicContact CE1-OD2 2.8Å; H561-D629 IonicContact NE2-OD2 2.7Å; H561-D629 PolarHBondContact NE2-OD2 2.84Å; H561-I694 HydrophobicContact CB-CD1 4.14Å; H561-I694 WeakPolarHBondContact ND1-CD1 3.27Å
562	A	95	Very high	95.6	Very high	80 Å²	80	18.2 Å²	18.2	66%	0.661	10%	0.099	S	C	*	.	H	α-helix	trans	-69.7	-16.5	170.5	0	0	0	0	0	114.1	E558 L560	E558-A562 WeakPolarHBondContact O-CB 3.47Å; E558-A562 PolarHBondContact O-N 2.85Å; L560-A562 VanDerWaalsContact C-N 3.32Å; L560-A562 PolarHBondContact O-N 2.84Å
563	H	94.6	Very high	95.1	Very high	85 Å²	85	18.8 Å²	18.8	39%	0.394	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	19.5	170.9	-68.1	75.4	0	0	0	112.1	Y559 L560 H561 I565	Y559-H563 AromaticContact CD2-CE1 3.77Å; Y559-H563 AromaticContact CE1-CE1 3.96Å; Y559-H563 AromaticContact CE1-ND1 3.9Å; Y559-H563 AromaticContact CE2-CE1 3.28Å; Y559-H563 WeakPolarHBondContact CE2-CE1 3.29Å; Y559-H563 AromaticContact CE2-ND1 3.93Å; Y559-H563 AromaticContact CE2-NE2 3.98Å; Y559-H563 AromaticContact CZ-CE1 3.39Å; Y559-H563 AromaticContact CZ-ND1 3.81Å; Y559-H563 AromaticContact CZ-NE2 3.8Å; Y559-H563 PolarHBondContact O-N 2.94Å; Y559-H563 PolarHBondContact O-ND1 2.77Å; L560-H563 CarbonylContact O-C 3.49Å; L560-H563 WeakPolarHBondContact O-CA 3.38Å; L560-H563 PolarHBondContact O-N 2.97Å; H561-H563 PolarHBondContact O-N 2.82Å; H563-I565 HydrophobicContact CB-CD1 4.06Å; H563-I565 PolarHBondContact O-N 2.88Å; H563-I565 VanDerWaalsContact O-N 3.16Å
564	D	93.9	Very high	94.9	Very high	51 Å²	51	18.9 Å²	18.9	27%	0.273	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	23	-175.8	-67.6	-49.2	0	0	0	115.4	L560 H561 I597 I598 K626	L560-D564 PolarHBondContact O-N 3.29Å; H561-D564 PolarHBondContact O-N 3.39Å; D564-I597 HydrophobicContact CB-CG2 3.99Å; D564-I597 CarbonylContact O-C 3.48Å; D564-I597 VanDerWaalsContact O-CA 3.24Å; D564-I597 WeakPolarHBondContact O-CA 3.45Å; D564-I598 CarbonylContact O-C 3.55Å; D564-I598 PolarHBondContact O-N 3.44Å; D564-K626 IonicContact OD1-NZ 2.64Å; D564-K626 PolarHBondContact OD1-NZ 3.13Å
565	I	94.3	Very high	94.8	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	124.1	179.8	-65.3	154.6	0	0	0	110	I496 I499 I500 L560 H561 H563 A595 I597	I496-I565 HydrophobicContact CG2-CD1 4.18Å; I496-I565 HydrophobicContact CG2-CG2 4.27Å; I499-I565 HydrophobicContact CD1-CD1 4.34Å; I500-I565 HydrophobicContact CG2-CD1 3.44Å; I500-I565 VanDerWaalsContact CG2-CD1 3.44Å; L560-I565 CarbonylContact C-O 3.46Å; L560-I565 HydrophobicContact CB-CB 4.38Å; L560-I565 HydrophobicContact CD2-CB 4.16Å; L560-I565 HydrophobicContact CD2-CD1 4.39Å; L560-I565 HydrophobicContact CD2-CG2 3.94Å; L560-I565 PolarHBondContact O-N 2.92Å; H561-I565 PolarHBondContact CD2-O 2.76Å; H561-I565 VanDerWaalsContact CD2-O 3.3Å; H563-I565 HydrophobicContact CB-CD1 4.06Å; H563-I565 PolarHBondContact O-N 2.88Å; H563-I565 VanDerWaalsContact O-N 3.16Å; I565-A595 HydrophobicContact CG2-CB 4.33Å; I565-I597 HydrophobicContact CG1-CG1 4.25Å
566	A	94.4	Very high	94.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	134.9	164.6	0	0	0	0	0	109.8	C568 A595 R596 I598 K626 D629	A566-C568 PolarHBondContact O-SG 2.64Å; A566-A595 VanDerWaalsContact O-CA 3.26Å; A566-A595 WeakPolarHBondContact O-CA 3.18Å; A566-A595 WeakPolarHBondContact O-CB 3.19Å; A566-R596 PolarHBondContact N-O 2.98Å; A566-R596 PolarHBondContact O-N 3.14Å; A566-R596 VanDerWaalsContact O-N 3.16Å; A566-I598 HydrophobicContact CB-CD1 3.64Å; A566-I598 HydrophobicContact CB-CG1 4.16Å; A566-K626 HydrophobicContact CB-CG 4.28Å; A566-D629 WeakPolarHBondContact CA-OD2 3.39Å
567	H	94.7	Very high	94.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.107	C	C	.	.			trans	-70.1	-40.6	-178.1	-169.6	-95.1	0	0	0	112.2	L557 L560 D569 L570 C590 F592 A595 D629	L557-H567 HydrophobicContact CD2-CB 4.37Å; L560-H567 HydrophobicContact CD1-CB 4.49Å; H567-D569 PolarHBondContact CE1-O 2.76Å; H567-D569 VanDerWaalsContact CE1-O 3.32Å; H567-D569 VanDerWaalsContact ND1-C 3.32Å; H567-D569 PolarHBondContact ND1-O 3.28Å; H567-D569 PolarHBondContact O-N 3.09Å; H567-L570 PolarHBondContact ND1-N 2.97Å; H567-C590 PolarHBondContact CE1-O 3.35Å; H567-C590 PolarHBondContact NE2-O 2.92Å; H567-C590 VanDerWaalsContact NE2-O 3.14Å; H567-F592 AromaticContact CD2-CE1 3.86Å; H567-A595 WeakPolarHBondContact O-CA 3.4Å; H567-A595 PolarHBondContact O-N 3Å; H567-D629 PolarHBondContact N-OD1 2.75Å; H567-D629 PolarHBondContact N-OD2 2.86Å
568	C	92.9	Very high	94.4	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.02	12%	0.12	C	C	.	.	S	Bend	trans	66	-8.5	175	-52.5	0	0	0	0	117.6	A566 Y594 R596 V608 G609 L628 D629	A566-C568 PolarHBondContact O-SG 2.64Å; C568-Y594 WeakPolarHBondContact CB-O 3.44Å; C568-R596 PolarHBondContact SG-NE 2.96Å; C568-R596 VanDerWaalsContact SG-NE 3.41Å; C568-V608 HydrophobicContact CB-CG2 4.11Å; C568-G609 WeakPolarHBondContact O-CA 3.37Å; C568-L628 HydrophobicContact CB-CD2 4.5Å; C568-D629 PolarHBondContact N-OD1 2.67Å
569	D	91.5	Very high	94.1	Very high	4 Å²	4	20.4 Å²	20.4	2%	0.021	12%	0.115	C	C	.	.			trans	-143.2	53.6	172.4	-166.2	42.4	0	0	0	111.3	H567 K571 N574 Y594 G609 T610	H567-D569 PolarHBondContact CE1-O 2.76Å; H567-D569 VanDerWaalsContact CE1-O 3.32Å; H567-D569 VanDerWaalsContact ND1-C 3.32Å; H567-D569 PolarHBondContact ND1-O 3.28Å; H567-D569 PolarHBondContact O-N 3.09Å; D569-K571 IonicContact OD1-NZ 2.7Å; D569-K571 WeakPolarHBondContact OD2-CE 3.34Å; D569-K571 IonicContact OD2-NZ 3Å; D569-K571 PolarHBondContact OD2-NZ 2.98Å; D569-N574 PolarHBondContact O-ND2 3.26Å; D569-N574 PolarHBondContact OD2-ND2 2.98Å; D569-N574 VanDerWaalsContact OD2-ND2 3.09Å; D569-Y594 HydrophobicContact CB-CD2 3.71Å; D569-Y594 HydrophobicContact CB-CG 4.21Å; D569-G609 WeakPolarHBondContact OD1-CA 3.14Å; D569-T610 VanDerWaalsContact OD1-CB 3.29Å; D569-T610 WeakPolarHBondContact OD1-CB 3.47Å; D569-T610 PolarHBondContact OD1-N 2.86Å; D569-T610 PolarHBondContact OD1-OG1 3.05Å
570	L	95.8	Very high	93.4	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.005	12%	0.124	C	C	.	.			trans	-77.5	122.2	176.8	-179.2	67.7	0	0	0	110.6	I553 L557 H567 V575 L589 L633	I553-L570 HydrophobicContact CG2-CD1 4.14Å; I553-L570 HydrophobicContact CG2-CD2 4.24Å; L557-L570 HydrophobicContact CD1-CD2 3.97Å; H567-L570 PolarHBondContact ND1-N 2.97Å; L570-V575 HydrophobicContact CD1-CG2 4.34Å; L570-L589 HydrophobicContact CD1-CD2 3.78Å; L570-L633 HydrophobicContact CD2-CB 4.08Å; L570-L633 HydrophobicContact CD2-CD1 4.24Å
571	K	92.4	Very high	92.8	Very high	7 Å²	7	29.9 Å²	29.9	3%	0.03	16%	0.164	C	C	.	.	S	Bend	trans	-161.8	162.2	-179.7	58.5	-178.7	168.5	-177.2	0	110	D569 E573 N574 T610 Y613	D569-K571 IonicContact OD1-NZ 2.7Å; D569-K571 WeakPolarHBondContact OD2-CE 3.34Å; D569-K571 IonicContact OD2-NZ 3Å; D569-K571 PolarHBondContact OD2-NZ 2.98Å; K571-E573 WeakPolarHBondContact CB-OE2 3.37Å; K571-E573 HydrophobicContact CD-CB 4.34Å; K571-E573 WeakPolarHBondContact CD-OE2 3.37Å; K571-E573 HydrophobicContact CG-CB 4.31Å; K571-E573 WeakPolarHBondContact CG-OE2 3.08Å; K571-E573 PolarHBondContact O-N 2.84Å; K571-N574 VanDerWaalsContact CE-CG 3.41Å; K571-N574 WeakPolarHBondContact CE-ND2 3.12Å; K571-N574 VanDerWaalsContact CE-OD1 3.25Å; K571-N574 WeakPolarHBondContact CE-OD1 3.38Å; K571-N574 HydrophobicContact CG-CB 4.07Å; K571-N574 PolarHBondContact O-N 2.93Å; K571-T610 HydrophobicContact CD-CG2 4.42Å; K571-T610 PolarHBondContact NZ-OG1 3.07Å; K571-Y613 HydrophobicContact CB-CD1 4.07Å; K571-Y613 HydrophobicContact CB-CD2 3.77Å; K571-Y613 HydrophobicContact CB-CE1 3.95Å; K571-Y613 HydrophobicContact CB-CE2 3.61Å; K571-Y613 HydrophobicContact CB-CG 3.99Å; K571-Y613 HydrophobicContact CD-CE2 4.42Å
572	P	91.3	Very high	92.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-60.7	-28.5	-175.7	-22.4	35.3	0	0	0	114.1	M529 L530 I533 N574 V575 Y613 V636	M529-P572 HydrophobicContact CB-CB 4.04Å; M529-P572 WeakPolarHBondContact CB-O 3.34Å; M529-P572 HydrophobicContact CG-CB 4.16Å; M529-P572 PolarHBondContact N-O 2.95Å; M529-P572 HydrophobicContact SD-CB 4.36Å; L530-P572 HydrophobicContact CB-CB 4.06Å; L530-P572 PolarHBondContact N-O 3.42Å; I533-P572 HydrophobicContact CD1-CB 4.05Å; I533-P572 HydrophobicContact CD1-CG 4.21Å; P572-N574 PolarHBondContact O-N 2.98Å; P572-V575 PolarHBondContact O-N 3.16Å; P572-Y613 WeakPolarHBondContact CD-OH 3.21Å; P572-V636 HydrophobicContact CG-CG1 4.45Å; P572-V636 HydrophobicContact CG-CG2 4.33Å
573	E	88	Confident	92.5	Very high	13 Å²	13	32.3 Å²	32.3	6%	0.061	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-64.5	-28.7	174.1	-59.2	94.9	138.2	0	0	113.2	L530 K571	L530-E573 HydrophobicContact CB-CG 4.02Å; L530-E573 HydrophobicContact CD2-CG 3.5Å; L530-E573 VanDerWaalsContact CD2-CG 3.5Å; L530-E573 HydrophobicContact CG-CG 4.36Å; K571-E573 WeakPolarHBondContact CB-OE2 3.37Å; K571-E573 HydrophobicContact CD-CB 4.34Å; K571-E573 WeakPolarHBondContact CD-OE2 3.37Å; K571-E573 HydrophobicContact CG-CB 4.31Å; K571-E573 WeakPolarHBondContact CG-OE2 3.08Å; K571-E573 PolarHBondContact O-N 2.84Å
574	N	93.5	Very high	92.6	Very high	2 Å²	2	31 Å²	31	1%	0.011	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-96.4	9.2	-178	-67.5	1.9	0	0	0	112.2	D569 K571 P572 C590	D569-N574 PolarHBondContact O-ND2 3.26Å; D569-N574 PolarHBondContact OD2-ND2 2.98Å; D569-N574 VanDerWaalsContact OD2-ND2 3.09Å; K571-N574 VanDerWaalsContact CE-CG 3.41Å; K571-N574 WeakPolarHBondContact CE-ND2 3.12Å; K571-N574 VanDerWaalsContact CE-OD1 3.25Å; K571-N574 WeakPolarHBondContact CE-OD1 3.38Å; K571-N574 HydrophobicContact CG-CB 4.07Å; K571-N574 PolarHBondContact O-N 2.93Å; P572-N574 PolarHBondContact O-N 2.98Å; N574-C590 PolarHBondContact O-N 3.48Å
575	V	96.1	Very high	92.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	98.5	171.9	-178.3	0	0	0	0	108.3	D528 M529 I553 L570 P572 T587 L589	D528-V575 CarbonylContact C-O 3.45Å; D528-V575 WeakPolarHBondContact CA-O 3.4Å; M529-V575 HydrophobicContact CB-CB 3.87Å; M529-V575 HydrophobicContact CB-CG1 4.1Å; M529-V575 PolarHBondContact N-O 2.81Å; M529-V575 HydrophobicContact SD-CB 4.2Å; M529-V575 HydrophobicContact SD-CG1 4.16Å; M529-V575 HydrophobicContact SD-CG2 4.33Å; I553-V575 HydrophobicContact CD1-CG1 4.05Å; I553-V575 HydrophobicContact CD1-CG2 3.91Å; I553-V575 HydrophobicContact CG1-CG1 4.1Å; I553-V575 HydrophobicContact CG1-CG2 4.15Å; L570-V575 HydrophobicContact CD1-CG2 4.34Å; P572-V575 PolarHBondContact O-N 3.16Å; V575-T587 HydrophobicContact CG1-CG2 4.04Å; V575-L589 HydrophobicContact CG2-CD2 3.93Å
576	L	95.9	Very high	93	Very high	37 Å²	37	29.5 Å²	29.5	19%	0.194	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	147.1	-177.6	-60.3	178.8	0	0	0	112	I506 M525 G527 D528 T587 K588 C590	I506-L576 HydrophobicContact CD1-CD1 3.96Å; M525-L576 HydrophobicContact CB-CB 3.81Å; M525-L576 HydrophobicContact CB-CD1 4.17Å; M525-L576 HydrophobicContact CB-CG 4.49Å; M525-L576 HydrophobicContact CE-CB 4.1Å; M525-L576 HydrophobicContact CG-CB 3.7Å; M525-L576 HydrophobicContact CG-CD1 3.86Å; M525-L576 HydrophobicContact CG-CG 4.42Å; G527-L576 CarbonylContact O-C 3.49Å; G527-L576 WeakPolarHBondContact O-CA 3.48Å; D528-L576 HydrophobicContact CB-CD2 4.12Å; L576-T587 CarbonylContact O-C 3.46Å; L576-T587 VanDerWaalsContact O-CA 3.26Å; L576-T587 WeakPolarHBondContact O-CA 3.19Å; L576-K588 PolarHBondContact N-O 2.89Å; L576-K588 PolarHBondContact O-N 3.29Å; L576-C590 HydrophobicContact CD1-CB 3.58Å; L576-C590 HydrophobicContact CG-CB 3.96Å; L576-C590 VanDerWaalsContact CG-SG 3.58Å
577	L	95.7	Very high	93.2	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	133.4	-176.3	-51	-178.9	0	0	0	110.9	M525 E526 G527 M532 L549 S579 P585 Q586 T587	M525-L577 VanDerWaalsContact CE-C 3.5Å; E526-L577 PolarHBondContact N-O 3.03Å; G527-L577 PolarHBondContact N-O 3.16Å; G527-L577 PolarHBondContact O-N 2.9Å; M532-L577 HydrophobicContact CB-CD1 3.79Å; M532-L577 HydrophobicContact CG-CD1 4.24Å; M532-L577 HydrophobicContact SD-CD1 3.79Å; L549-L577 HydrophobicContact CD2-CD2 4.29Å; L577-S579 PolarHBondContact O-N 3.11Å; L577-P585 HydrophobicContact CB-CB 4.26Å; L577-P585 HydrophobicContact CB-CG 4.24Å; L577-P585 HydrophobicContact CD1-CG 4.25Å; L577-P585 HydrophobicContact CD2-CG 3.95Å; L577-P585 HydrophobicContact CG-CG 4.37Å; L577-Q586 WeakPolarHBondContact CA-O 3.48Å; L577-T587 HydrophobicContact CD2-CG2 3.9Å
578	N	94.1	Very high	93.3	Very high	53 Å²	53	30.3 Å²	30.3	28%	0.283	16%	0.158	S	C	.	.	S	Bend	trans	-72.6	-15.8	178.2	77.6	-22.7	0	0	0	113.4	M525 E526 P585 Q586	M525-N578 HydrophobicContact CE-CB 4.01Å; E526-N578 WeakPolarHBondContact CG-O 3.47Å; N578-P585 WeakPolarHBondContact OD1-CB 2.96Å; N578-Q586 HydrophobicContact CB-CB 4Å; N578-Q586 VanDerWaalsContact CG-CB 3.45Å; N578-Q586 PolarHBondContact N-O 2.84Å; N578-Q586 WeakPolarHBondContact ND2-CB 3.42Å; N578-Q586 PolarHBondContact OD1-N 3.29Å
579	S	91.8	Very high	93.5	Very high	24 Å²	24	30.2 Å²	30.2	17%	0.168	16%	0.157	C	C	.	.			trans	-152	147.5	174.4	-177.5	0	0	0	0	110.4	E526 L577 E581 P585	E526-S579 WeakPolarHBondContact OE2-CA 3.28Å; L577-S579 PolarHBondContact O-N 3.11Å; S579-E581 PolarHBondContact OG-N 3.31Å; S579-P585 WeakPolarHBondContact O-CB 3.49Å
580	V	82.4	Confident	93.6	Very high	58 Å²	58	30.8 Å²	30.8	35%	0.352	16%	0.161	S	C	.	.	S	Bend	trans	-108.2	4.3	171.7	-62.5	0	0	0	0	112.9
581	E	85.4	Confident	93.1	Very high	183 Å²	183	32.6 Å²	32.6	86%	0.855	17%	0.171	S	C	*	.	S	Bend	trans	-94.1	-17	-178.1	-58.4	-169.6	160.4	0	0	113	S579	S579-E581 PolarHBondContact OG-N 3.31Å
582	T	92.1	Very high	92.9	Very high	56 Å²	56	32.3 Å²	32.3	34%	0.344	17%	0.169	S	C	.	.			trans	-112.9	149.7	178.4	179.3	0	0	0	0	111.5	F584 P585	T582-F584 PolarHBondContact O-N 3.37Å; T582-F584 PolarHBondContact OG1-N 3.38Å; T582-P585 HydrophobicContact CG2-CB 4.07Å
583	N	92.9	Very high	92.5	Very high	100 Å²	100	32.6 Å²	32.6	54%	0.535	17%	0.172	S	C	.	.	S	Bend	trans	-76	-9.4	168.3	-72.4	-27.4	0	0	0	112.9	V545 P585	V545-N583 HydrophobicContact CG2-CB 3.91Å; N583-P585 WeakPolarHBondContact O-CD 3.3Å
584	F	96.7	Very high	92.3	Very high	58 Å²	58	32.9 Å²	32.9	25%	0.254	17%	0.173	S	C	.	.	S	Bend	trans	-124.7	59.1	-175.8	-55.5	-78	0	0	0	112.6	R544 V545 F548 T582 D711	R544-F584 HydrophobicContact CG-CE1 4.22Å; R544-F584 HydrophobicContact CG-CZ 4.35Å; V545-F584 HydrophobicContact CG2-CE1 4.45Å; F548-F584 HydrophobicContact CB-CD1 4.29Å; F548-F584 HydrophobicContact CD1-CB 4.35Å; F548-F584 AromaticContact CD1-CD1 3.93Å; F548-F584 HydrophobicContact CD1-CD1 3.93Å; F548-F584 AromaticContact CD2-CD1 3.95Å; F548-F584 HydrophobicContact CD2-CD1 3.95Å; F548-F584 HydrophobicContact CE1-CB 3.79Å; F548-F584 HydrophobicContact CE1-CD1 4.2Å; F548-F584 HydrophobicContact CE2-CB 4.15Å; F548-F584 HydrophobicContact CE2-CD1 4.21Å; F548-F584 AromaticContact CG-CD1 3.79Å; F548-F584 HydrophobicContact CG-CD1 3.79Å; F548-F584 HydrophobicContact CZ-CB 3.65Å; F548-F584 HydrophobicContact CZ-CD1 4.32Å; T582-F584 PolarHBondContact O-N 3.37Å; T582-F584 PolarHBondContact OG1-N 3.38Å; F584-D711 HydrophobicContact CD1-CB 4.15Å; F584-D711 HydrophobicContact CE1-CB 4.26Å; F584-D711 VanDerWaalsContact CE1-OD2 3.23Å; F584-D711 WeakPolarHBondContact CE1-OD2 3.46Å
585	P	97.2	Very high	92	Very high	1 Å²	1	33 Å²	33	1%	0.006	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-80.4	162.8	179.7	35.1	-37.5	0	0	0	113	F548 L549 Q552 L577 N578 S579 T582 N583	F548-P585 VanDerWaalsContact CE1-O 3.23Å; F548-P585 WeakPolarHBondContact CE1-O 3.32Å; L549-P585 HydrophobicContact CD2-CG 4.17Å; Q552-P585 PolarHBondContact NE2-O 2.99Å; L577-P585 HydrophobicContact CB-CB 4.26Å; L577-P585 HydrophobicContact CB-CG 4.24Å; L577-P585 HydrophobicContact CD1-CG 4.25Å; L577-P585 HydrophobicContact CD2-CG 3.95Å; L577-P585 HydrophobicContact CG-CG 4.37Å; N578-P585 WeakPolarHBondContact OD1-CB 2.96Å; S579-P585 WeakPolarHBondContact O-CB 3.49Å; T582-P585 HydrophobicContact CG2-CB 4.07Å; N583-P585 WeakPolarHBondContact O-CD 3.3Å
586	Q	98	Very high	91.7	Very high	19 Å²	19	35.3 Å²	35.3	9%	0.089	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-69.8	130.5	162.2	-170.5	-176.7	23.3	0	0	109.5	P503 L577 N578 L715 L719	P503-Q586 PolarHBondContact O-NE2 2.88Å; L577-Q586 WeakPolarHBondContact CA-O 3.48Å; N578-Q586 HydrophobicContact CB-CB 4Å; N578-Q586 VanDerWaalsContact CG-CB 3.45Å; N578-Q586 PolarHBondContact N-O 2.84Å; N578-Q586 WeakPolarHBondContact ND2-CB 3.42Å; N578-Q586 PolarHBondContact OD1-N 3.29Å; Q586-L715 HydrophobicContact CB-CD1 4.18Å; Q586-L715 HydrophobicContact CB-CD2 4.47Å; Q586-L719 HydrophobicContact CB-CD1 4.17Å; Q586-L719 HydrophobicContact CB-CD2 4.49Å; Q586-L719 HydrophobicContact CG-CD1 3.91Å
587	T	98.2	Very high	91.2	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	146	170.3	70.3	0	0	0	0	111.7	L549 Q552 V575 L576 L577	L549-T587 HydrophobicContact CB-CG2 4.35Å; L549-T587 HydrophobicContact CD2-CG2 3.41Å; L549-T587 VanDerWaalsContact CD2-CG2 3.41Å; L549-T587 HydrophobicContact CG-CG2 4.48Å; Q552-T587 HydrophobicContact CB-CG2 4.39Å; Q552-T587 WeakPolarHBondContact CB-OG1 2.98Å; Q552-T587 PolarHBondContact OE1-OG1 3.44Å; V575-T587 HydrophobicContact CG1-CG2 4.04Å; L576-T587 CarbonylContact O-C 3.46Å; L576-T587 VanDerWaalsContact O-CA 3.26Å; L576-T587 WeakPolarHBondContact O-CA 3.19Å; L577-T587 HydrophobicContact CD2-CG2 3.9Å
588	K	97.9	Very high	90.7	Very high	16 Å²	16	37.7 Å²	37.7	7%	0.07	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	132	167.9	-60.9	-172.3	174.9	-167.6	0	111.9	P503 G504 E523 M525 L576	P503-K588 VanDerWaalsContact O-CE 3.23Å; P503-K588 WeakPolarHBondContact O-CE 3.31Å; G504-K588 CarbonylContact O-C 3.57Å; G504-K588 WeakPolarHBondContact O-CA 3.5Å; E523-K588 WeakPolarHBondContact OE1-CD 3.36Å; E523-K588 IonicContact OE1-NZ 3.86Å; E523-K588 PolarHBondContact OE1-NZ 3.42Å; E523-K588 IonicContact OE2-NZ 3.44Å; E523-K588 PolarHBondContact OE2-NZ 3.42Å; M525-K588 HydrophobicContact CE-CB 3.94Å; M525-K588 HydrophobicContact CE-CD 3.83Å; M525-K588 HydrophobicContact CE-CG 3.72Å; M525-K588 HydrophobicContact SD-CD 3.97Å; L576-K588 PolarHBondContact N-O 2.89Å; L576-K588 PolarHBondContact O-N 3.29Å
589	L	97.5	Very high	89.9	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	141.3	172.7	-61.2	-173.7	0	0	0	111.4	G504 I506 I553 A556 L557 L560 L570 V575	G504-L589 PolarHBondContact O-N 3.14Å; I506-L589 WeakPolarHBondContact CB-O 3.5Å; I506-L589 WeakPolarHBondContact CG2-O 3.47Å; I506-L589 PolarHBondContact N-O 2.9Å; I553-L589 HydrophobicContact CG1-CD2 4.43Å; I553-L589 HydrophobicContact CG2-CD2 4.36Å; A556-L589 HydrophobicContact CB-CD1 3.63Å; A556-L589 HydrophobicContact CB-CG 3.81Å; L557-L589 HydrophobicContact CD2-CD1 4.04Å; L557-L589 HydrophobicContact CG-CD1 4.37Å; L560-L589 HydrophobicContact CD1-CD1 4.11Å; L570-L589 HydrophobicContact CD1-CD2 3.78Å; V575-L589 HydrophobicContact CG2-CD2 3.93Å
590	C	92.7	Very high	88.9	Confident	16 Å²	16	44.7 Å²	44.7	11%	0.108	23%	0.226	C	C	.	.			trans	-142.3	176.8	179.8	82.9	0	0	0	0	113.1	I506 H567 N574 L576	I506-C590 HydrophobicContact CB-CB 4.16Å; I506-C590 HydrophobicContact CG2-CB 3.96Å; H567-C590 PolarHBondContact CE1-O 3.35Å; H567-C590 PolarHBondContact NE2-O 2.92Å; H567-C590 VanDerWaalsContact NE2-O 3.14Å; N574-C590 PolarHBondContact O-N 3.48Å; L576-C590 HydrophobicContact CD1-CB 3.58Å; L576-C590 HydrophobicContact CG-CB 3.96Å; L576-C590 VanDerWaalsContact CG-SG 3.58Å
591	D	86.3	Confident	88.4	Confident	39 Å²	39	48.5 Å²	48.5	21%	0.209	24%	0.244	C	C	.	.			trans	60	62.5	-179.4	-153.1	22.1	0	0	0	115.4	K475 G593	K475-D591 IonicContact NZ-OD1 3.79Å; K475-D591 PolarHBondContact NZ-OD1 3.39Å; D591-G593 PolarHBondContact O-N 3.01Å
592	F	88.4	Confident	87.6	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-69.4	16.2	176.1	-69.4	-95.2	0	0	0	114.3	E493 I496 L497 I500 I505 I506 L560 H567 Y594 A595	E493-F592 HydrophobicContact CG-CB 4.05Å; I496-F592 HydrophobicContact CG2-CB 4.38Å; I496-F592 HydrophobicContact CG2-CD1 3.71Å; I496-F592 HydrophobicContact CG2-CE1 4.38Å; I496-F592 HydrophobicContact CG2-CG 4.25Å; L497-F592 HydrophobicContact CD2-CD2 3.64Å; L497-F592 HydrophobicContact CD2-CE2 4Å; L497-F592 HydrophobicContact CD2-CG 4.32Å; L497-F592 HydrophobicContact CG-CB 4.42Å; L497-F592 HydrophobicContact CG-CD2 4.15Å; L497-F592 HydrophobicContact CG-CG 4.42Å; I500-F592 HydrophobicContact CD1-CD1 4.06Å; I500-F592 HydrophobicContact CD1-CE1 3.59Å; I500-F592 HydrophobicContact CD1-CE2 4.15Å; I500-F592 HydrophobicContact CD1-CZ 3.65Å; I505-F592 HydrophobicContact CG2-CE2 3.94Å; I505-F592 HydrophobicContact CG2-CZ 3.78Å; I506-F592 HydrophobicContact CG2-CE2 4.27Å; L560-F592 HydrophobicContact CD1-CE1 3.86Å; L560-F592 HydrophobicContact CD1-CZ 4.24Å; L560-F592 HydrophobicContact CD2-CE1 3.79Å; L560-F592 HydrophobicContact CD2-CZ 4.35Å; L560-F592 HydrophobicContact CG-CE1 4.5Å; H567-F592 AromaticContact CD2-CE1 3.86Å; F592-Y594 PolarHBondContact O-N 3.44Å; F592-A595 HydrophobicContact CB-CB 3.91Å; F592-A595 HydrophobicContact CD1-CB 3.65Å; F592-A595 HydrophobicContact CG-CB 4.26Å; F592-A595 WeakPolarHBondContact O-CB 3.33Å; F592-A595 PolarHBondContact O-N 3.31Å
593	G	81.9	Confident	86.6	Confident	6 Å²	6	44.7 Å²	44.7	6%	0.062	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-63	-22	-178.5	0	0	0	0	0	114.7	D591	D591-G593 PolarHBondContact O-N 3.01Å
594	Y	83.8	Confident	85.6	Confident	20 Å²	20	45.3 Å²	45.3	8%	0.078	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-103.1	-11.2	171.7	-69.8	-77.8	0	0	0	113.9	Q456 F457 C568 D569 F592 R596 V608	Q456-Y594 PolarHBondContact OE1-OH 3.43Å; F457-Y594 HydrophobicContact CE2-CE2 4.41Å; C568-Y594 WeakPolarHBondContact CB-O 3.44Å; D569-Y594 HydrophobicContact CB-CD2 3.71Å; D569-Y594 HydrophobicContact CB-CG 4.21Å; F592-Y594 PolarHBondContact O-N 3.44Å; Y594-R596 PolarHBondContact O-NE 3.26Å; Y594-R596 PolarHBondContact O-NH2 2.93Å; Y594-V608 HydrophobicContact CD1-CB 4.03Å
595	A	87.7	Confident	84.3	Confident	4 Å²	4	51.3 Å²	51.3	3%	0.033	24%	0.24	C	C	.	.			trans	-65.5	150.7	-174.4	0	0	0	0	0	111.7	I496 I565 A566 H567 F592	I496-A595 HydrophobicContact CD1-CB 3.91Å; I496-A595 WeakPolarHBondContact CD1-O 3.39Å; I565-A595 HydrophobicContact CG2-CB 4.33Å; A566-A595 VanDerWaalsContact O-CA 3.26Å; A566-A595 WeakPolarHBondContact O-CA 3.18Å; A566-A595 WeakPolarHBondContact O-CB 3.19Å; H567-A595 WeakPolarHBondContact O-CA 3.4Å; H567-A595 PolarHBondContact O-N 3Å; F592-A595 HydrophobicContact CB-CB 3.91Å; F592-A595 HydrophobicContact CD1-CB 3.65Å; F592-A595 HydrophobicContact CG-CB 4.26Å; F592-A595 WeakPolarHBondContact O-CB 3.33Å; F592-A595 PolarHBondContact O-N 3.31Å
596	R	88.6	Confident	83.1	Confident	48 Å²	48	54.8 Å²	54.8	18%	0.181	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	155.6	-176.2	69.1	-159.7	62.4	-135.2	-23	112	A566 C568 Y594 I598 T606 V608 Y624	A566-R596 PolarHBondContact N-O 2.98Å; A566-R596 PolarHBondContact O-N 3.14Å; A566-R596 VanDerWaalsContact O-N 3.16Å; C568-R596 PolarHBondContact SG-NE 2.96Å; C568-R596 VanDerWaalsContact SG-NE 3.41Å; Y594-R596 PolarHBondContact O-NE 3.26Å; Y594-R596 PolarHBondContact O-NH2 2.93Å; R596-I598 HydrophobicContact CG-CD1 3.85Å; R596-I598 HydrophobicContact CG-CG1 3.64Å; R596-T606 PolarHBondContact NH1-OG1 2.97Å; R596-V608 VanDerWaalsContact NH2-CG1 3.31Å; R596-Y624 WeakPolarHBondContact CD-OH 3.09Å; R596-Y624 PolarHBondContact NE-OH 2.73Å; R596-Y624 PolarHBondContact NH1-OH 3.46Å
597	I	86.1	Confident	81.9	Confident	88 Å²	88	57.3 Å²	57.3	45%	0.451	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	124.9	172.3	-55.7	174.4	0	0	0	109.6	D564 I565 R604	D564-I597 HydrophobicContact CB-CG2 3.99Å; D564-I597 CarbonylContact O-C 3.48Å; D564-I597 VanDerWaalsContact O-CA 3.24Å; D564-I597 WeakPolarHBondContact O-CA 3.45Å; I565-I597 HydrophobicContact CG1-CG1 4.25Å; I597-R604 PolarHBondContact O-NH2 3.21Å
598	I	85.1	Confident	80.7	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.281	C	S	.	.			trans	-136.7	96.2	177	-46.4	-174.8	0	0	0	107.8	D564 A566 R596 T602 R604 Y624 K626	D564-I598 CarbonylContact O-C 3.55Å; D564-I598 PolarHBondContact O-N 3.44Å; A566-I598 HydrophobicContact CB-CD1 3.64Å; A566-I598 HydrophobicContact CB-CG1 4.16Å; R596-I598 HydrophobicContact CG-CD1 3.85Å; R596-I598 HydrophobicContact CG-CG1 3.64Å; I598-T602 WeakPolarHBondContact CG2-O 3.42Å; I598-T602 WeakPolarHBondContact CG2-OG1 3.39Å; I598-R604 HydrophobicContact CD1-CG 4.03Å; I598-R604 HydrophobicContact CG1-CG 4.16Å; I598-Y624 HydrophobicContact CD1-CD2 4.05Å; I598-Y624 HydrophobicContact CD1-CE2 3.72Å; I598-K626 HydrophobicContact CB-CG 4.25Å; I598-K626 WeakPolarHBondContact O-CD 3.08Å; I598-K626 WeakPolarHBondContact O-CE 3.43Å
599	D	77.4	Confident	79.5	Confident	84 Å²	84	57.1 Å²	57.1	45%	0.449	28%	0.279	S	S	.	.			trans	-56.9	146.9	166.3	172.2	4	0	0	0	109.8	N601 T602	D599-N601 PolarHBondContact O-N 2.86Å; D599-T602 HydrophobicContact CB-CG2 3.89Å; D599-T602 PolarHBondContact N-OG1 3.45Å; D599-T602 WeakPolarHBondContact O-CB 3.45Å; D599-T602 PolarHBondContact O-N 2.91Å; D599-T602 PolarHBondContact O-OG1 3.03Å
600	E	70.6	Confident	78.4	Confident	140 Å²	140	57.3 Å²	57.3	65%	0.654	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	-37.1	-169.2	-57.8	-166.3	142.3	0	0	114.1
601	N	71.3	Confident	77.7	Confident	139 Å²	139	58.9 Å²	58.9	74%	0.743	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	10.5	-178.2	-66.8	-69.4	0	0	0	113.7	D599	D599-N601 PolarHBondContact O-N 2.86Å
602	T	69.3	Low	77.4	Confident	48 Å²	48	57.9 Å²	57.9	29%	0.294	29%	0.287	S	S	.	.			trans	-109.8	135.8	-175.8	68.5	0	0	0	0	113.1	I598 D599	I598-T602 WeakPolarHBondContact CG2-O 3.42Å; I598-T602 WeakPolarHBondContact CG2-OG1 3.39Å; D599-T602 HydrophobicContact CB-CG2 3.89Å; D599-T602 PolarHBondContact N-OG1 3.45Å; D599-T602 WeakPolarHBondContact O-CB 3.45Å; D599-T602 PolarHBondContact O-N 2.91Å; D599-T602 PolarHBondContact O-OG1 3.03Å
603	F	70.9	Confident	77.4	Confident	110 Å²	110	58 Å²	58	48%	0.482	29%	0.288	S	S	.	.			trans	-114.5	139.8	177.1	-70	-91.7	0	0	0	111.3	Y624 N625	F603-Y624 WeakPolarHBondContact CA-O 3.3Å; F603-N625 HydrophobicContact CD1-CB 4.45Å; F603-N625 HydrophobicContact CE1-CB 4.34Å
604	R	71.5	Confident	77.6	Confident	114 Å²	114	58.1 Å²	58.1	43%	0.43	29%	0.287	S	S	.	.	B	Isolated β-bridge	trans	-109.8	151.3	176.2	-58.1	-61.3	-169	170	2.9	110.8	I597 I598 G623 Y624	I597-R604 PolarHBondContact O-NH2 3.21Å; I598-R604 HydrophobicContact CD1-CG 4.03Å; I598-R604 HydrophobicContact CG1-CG 4.16Å; R604-G623 CarbonylContact O-C 3.48Å; R604-G623 WeakPolarHBondContact O-CA 3.4Å; R604-Y624 HydrophobicContact CB-CD1 4.06Å; R604-Y624 HydrophobicContact CB-CD2 4.28Å; R604-Y624 HydrophobicContact CB-CE1 3.52Å; R604-Y624 HydrophobicContact CB-CE2 3.84Å; R604-Y624 HydrophobicContact CB-CG 4.42Å; R604-Y624 VanDerWaalsContact CB-CZ 3.43Å; R604-Y624 HydrophobicContact CG-CE2 4.37Å; R604-Y624 PolarHBondContact N-O 3.43Å; R604-Y624 WeakPolarHBondContact O-CD1 3.45Å; R604-Y624 WeakPolarHBondContact O-CE1 3.21Å; R604-Y624 PolarHBondContact O-N 2.82Å
605	R	70.7	Confident	77.9	Confident	183 Å²	183	57.1 Å²	57.1	69%	0.691	28%	0.283	S	S	*	.			trans	-121.4	11.4	-175.7	-61.9	-173.2	179.5	151.6	1.9	115	K621	R605-K621 WeakPolarHBondContact CG-O 3.37Å
606	T	71.7	Confident	78	Confident	74 Å²	74	57 Å²	57	45%	0.454	28%	0.282	S	S	.	.			trans	-88.7	135.7	-178.3	50.2	0	0	0	0	112	R596 Y624	R596-T606 PolarHBondContact NH1-OG1 2.97Å; T606-Y624 VanDerWaalsContact O-CE1 3.22Å; T606-Y624 WeakPolarHBondContact O-CE1 3.49Å; T606-Y624 PolarHBondContact OG1-OH 3.22Å
607	V	71.5	Confident	78	Confident	73 Å²	73	55.1 Å²	55.1	44%	0.442	28%	0.275	S	S	.	.			trans	-72.1	132.9	169.3	-173.6	0	0	0	0	109.4	L614 K621	V607-L614 HydrophobicContact CG1-CD1 4.21Å; V607-K621 HydrophobicContact CG2-CD 4.48Å; V607-K621 HydrophobicContact CG2-CG 4.11Å
608	V	73.3	Confident	78.1	Confident	9 Å²	9	50.9 Å²	50.9	6%	0.055	25%	0.254	C	S	.	.			trans	-149	165.1	-170	-64.6	0	0	0	0	110	C568 Y594 R596 L614 V618	C568-V608 HydrophobicContact CB-CG2 4.11Å; Y594-V608 HydrophobicContact CD1-CB 4.03Å; R596-V608 VanDerWaalsContact NH2-CG1 3.31Å; V608-L614 WeakPolarHBondContact O-CD2 3.32Å; V608-V618 HydrophobicContact CG2-CG1 4.05Å
609	G	73.4	Confident	77.9	Confident	4 Å²	4	53.6 Å²	53.6	4%	0.041	27%	0.268	C	S	.	.	S	Bend	trans	68.7	178	171	0	0	0	0	0	115.7	P95 C568 D569	P95-G609 WeakPolarHBondContact CG-O 3.24Å; C568-G609 WeakPolarHBondContact O-CA 3.37Å; D569-G609 WeakPolarHBondContact OD1-CA 3.14Å
610	T	75.1	Confident	78	Confident	4 Å²	4	52.3 Å²	52.3	3%	0.025	26%	0.259	C	S	.	.			trans	-81.5	129.2	-172	-56.7	0	0	0	0	111.9	D569 K571 A612 Y613 L614	D569-T610 VanDerWaalsContact OD1-CB 3.29Å; D569-T610 WeakPolarHBondContact OD1-CB 3.47Å; D569-T610 PolarHBondContact OD1-N 2.86Å; D569-T610 PolarHBondContact OD1-OG1 3.05Å; K571-T610 HydrophobicContact CD-CG2 4.42Å; K571-T610 PolarHBondContact NZ-OG1 3.07Å; T610-A612 PolarHBondContact O-N 2.95Å; T610-A612 VanDerWaalsContact O-N 3.16Å; T610-Y613 HydrophobicContact CG2-CD2 3.96Å; T610-Y613 HydrophobicContact CG2-CE2 4.36Å; T610-Y613 PolarHBondContact O-N 3.01Å; T610-L614 PolarHBondContact O-N 3.02Å
611	P	77.3	Confident	78.4	Confident	49 Å²	49	51.7 Å²	51.7	32%	0.318	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-57.9	-37.5	-166.2	-28.6	36.3	0	0	0	115.9	Y613 L614	P611-Y613 PolarHBondContact O-N 3.27Å; P611-L614 WeakPolarHBondContact O-CB 3.34Å; P611-L614 PolarHBondContact O-N 2.78Å
612	A	79.1	Confident	78.6	Confident	18 Å²	18	52 Å²	52	15%	0.149	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-68.8	-15.3	-179.7	0	0	0	0	0	114.1	T610 F645	T610-A612 PolarHBondContact O-N 2.95Å; T610-A612 VanDerWaalsContact O-N 3.16Å; A612-F645 HydrophobicContact CB-CD1 3.78Å; A612-F645 HydrophobicContact CB-CE1 3.5Å; A612-F645 HydrophobicContact CB-CZ 4.11Å
613	Y	88.7	Confident	79.1	Confident	4 Å²	4	50 Å²	50	2%	0.016	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-110.1	4.7	179.8	-59.7	-88.1	0	0	0	112.5	K571 P572 T610 P611 S632 V635 V636 F645	K571-Y613 HydrophobicContact CB-CD1 4.07Å; K571-Y613 HydrophobicContact CB-CD2 3.77Å; K571-Y613 HydrophobicContact CB-CE1 3.95Å; K571-Y613 HydrophobicContact CB-CE2 3.61Å; K571-Y613 HydrophobicContact CB-CG 3.99Å; K571-Y613 HydrophobicContact CD-CE2 4.42Å; P572-Y613 WeakPolarHBondContact CD-OH 3.21Å; T610-Y613 HydrophobicContact CG2-CD2 3.96Å; T610-Y613 HydrophobicContact CG2-CE2 4.36Å; T610-Y613 PolarHBondContact O-N 3.01Å; P611-Y613 PolarHBondContact O-N 3.27Å; Y613-S632 PolarHBondContact O-OG 3.37Å; Y613-V635 HydrophobicContact CD1-CB 3.9Å; Y613-V635 HydrophobicContact CD1-CG1 3.5Å; Y613-V635 HydrophobicContact CE1-CB 4.43Å; Y613-V635 HydrophobicContact CE1-CG1 3.74Å; Y613-V635 HydrophobicContact CG-CG1 4.32Å; Y613-V636 HydrophobicContact CD1-CG2 4.28Å; Y613-V636 HydrophobicContact CE1-CG2 4.13Å; Y613-F645 HydrophobicContact CE1-CE1 4.22Å; Y613-F645 AromaticContact CE2-CE1 3.85Å; Y613-F645 HydrophobicContact CE2-CE1 3.85Å; Y613-F645 HydrophobicContact CE2-CZ 4.22Å; Y613-F645 AromaticContact CZ-CE1 3.61Å
614	L	86.9	Confident	79.9	Confident	7 Å²	7	44.8 Å²	44.8	4%	0.037	22%	0.215	C	C	.	.			trans	-74.6	134.1	-173.8	-94.1	-178.9	0	0	0	113	V607 V608 T610 P611 V618 L619 W631	V607-L614 HydrophobicContact CG1-CD1 4.21Å; V608-L614 WeakPolarHBondContact O-CD2 3.32Å; T610-L614 PolarHBondContact O-N 3.02Å; P611-L614 WeakPolarHBondContact O-CB 3.34Å; P611-L614 PolarHBondContact O-N 2.78Å; L614-V618 HydrophobicContact CD2-CB 3.79Å; L614-V618 HydrophobicContact CD2-CG1 3.59Å; L614-V618 HydrophobicContact CD2-CG2 4.23Å; L614-L619 HydrophobicContact CB-CD2 4.37Å; L614-L619 HydrophobicContact CB-CG 4.36Å; L614-L619 HydrophobicContact CD1-CD2 3.66Å; L614-L619 HydrophobicContact CD1-CG 4.41Å; L614-W631 PolarHBondContact O-NE1 3.35Å
615	A	90.2	Very high	80.7	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.201	C	C	.	.			trans	-74	145.3	171.7	0	0	0	0	0	111.7	E617 V618 L619 L628 W631	A615-E617 VanDerWaalsContact C-N 3.28Å; A615-E617 VanDerWaalsContact CB-CD 3.48Å; A615-E617 HydrophobicContact CB-CG 4.46Å; A615-E617 WeakPolarHBondContact CB-OE1 3.41Å; A615-E617 WeakPolarHBondContact CB-OE2 3.11Å; A615-E617 PolarHBondContact O-N 3.13Å; A615-V618 HydrophobicContact CB-CG2 4.3Å; A615-V618 WeakPolarHBondContact O-CB 3.42Å; A615-V618 PolarHBondContact O-N 3.01Å; A615-L619 PolarHBondContact O-N 2.9Å; A615-L628 HydrophobicContact CB-CB 4.29Å; A615-W631 VanDerWaalsContact CA-CD1 3.45Å; A615-W631 HydrophobicContact CB-CB 3.75Å; A615-W631 HydrophobicContact CB-CD2 4.26Å; A615-W631 HydrophobicContact CB-CG 3.67Å
616	P	89.4	Confident	81.8	Confident	1 Å²	1	33 Å²	33	1%	0.006	17%	0.173	C	C	.	.	H	α-helix	trans	-59.8	-34.6	-173.8	20.4	-31.5	0	0	0	113.4	V618 L619 Q620 W631 I657 V686	P616-V618 PolarHBondContact O-N 3.28Å; P616-L619 PolarHBondContact O-N 3.24Å; P616-Q620 WeakPolarHBondContact O-CB 3.5Å; P616-Q620 WeakPolarHBondContact O-CG 3.44Å; P616-Q620 PolarHBondContact O-N 3.19Å; P616-W631 HydrophobicContact CG-CE3 4.23Å; P616-W631 HydrophobicContact CG-CH2 4.01Å; P616-W631 HydrophobicContact CG-CZ2 4.49Å; P616-W631 HydrophobicContact CG-CZ3 3.87Å; P616-I657 HydrophobicContact CB-CG2 4.01Å; P616-V686 HydrophobicContact CB-CG1 4.25Å; P616-V686 HydrophobicContact CG-CB 4.41Å; P616-V686 HydrophobicContact CG-CG1 3.97Å
617	E	89.3	Confident	82.9	Confident	8 Å²	8	32.6 Å²	32.6	4%	0.037	16%	0.163	C	C	.	.	H	α-helix	trans	-63.4	-26.6	177.5	65.7	-89.5	-158.7	0	0	113.8	A615 K621 K622 I688 R691	A615-E617 VanDerWaalsContact C-N 3.28Å; A615-E617 VanDerWaalsContact CB-CD 3.48Å; A615-E617 HydrophobicContact CB-CG 4.46Å; A615-E617 WeakPolarHBondContact CB-OE1 3.41Å; A615-E617 WeakPolarHBondContact CB-OE2 3.11Å; A615-E617 PolarHBondContact O-N 3.13Å; E617-K621 PolarHBondContact O-N 3.35Å; E617-K621 VanDerWaalsContact O-N 3.15Å; E617-K622 PolarHBondContact O-N 2.87Å; E617-I688 HydrophobicContact CB-CD1 3.89Å; E617-I688 HydrophobicContact CB-CG1 4.42Å; E617-I688 HydrophobicContact CG-CD1 3.72Å; E617-I688 HydrophobicContact CG-CG1 4.23Å; E617-R691 IonicContact OE1-CZ 2.7Å; E617-R691 IonicContact OE1-NH1 3.29Å; E617-R691 PolarHBondContact OE1-NH1 3.1Å; E617-R691 IonicContact OE1-NH2 2.71Å; E617-R691 PolarHBondContact OE1-NH2 3.44Å; E617-R691 IonicContact OE2-CZ 3.04Å; E617-R691 IonicContact OE2-NH1 3.71Å; E617-R691 IonicContact OE2-NH2 3.9Å; E617-R691 PolarHBondContact OE2-NH2 3.37Å
618	V	87.3	Confident	84	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-77.6	-43.1	177.8	-174.5	0	0	0	0	110.2	V608 L614 A615 P616 K621 Y624	V608-V618 HydrophobicContact CG2-CG1 4.05Å; L614-V618 HydrophobicContact CD2-CB 3.79Å; L614-V618 HydrophobicContact CD2-CG1 3.59Å; L614-V618 HydrophobicContact CD2-CG2 4.23Å; A615-V618 HydrophobicContact CB-CG2 4.3Å; A615-V618 WeakPolarHBondContact O-CB 3.42Å; A615-V618 PolarHBondContact O-N 3.01Å; P616-V618 PolarHBondContact O-N 3.28Å; V618-K621 PolarHBondContact O-N 3.33Å; V618-Y624 HydrophobicContact CG1-CD1 4.5Å; V618-Y624 HydrophobicContact CG2-CD1 3.93Å; V618-Y624 HydrophobicContact CG2-CG 3.95Å
619	L	80.8	Confident	85.2	Confident	56 Å²	56	28.8 Å²	28.8	29%	0.293	14%	0.14	S	C	.	.	H	α-helix	trans	-61.9	-45.4	173.6	-66	177.5	0	0	0	111.4	L614 A615 P616 K621 I657	L614-L619 HydrophobicContact CB-CD2 4.37Å; L614-L619 HydrophobicContact CB-CG 4.36Å; L614-L619 HydrophobicContact CD1-CD2 3.66Å; L614-L619 HydrophobicContact CD1-CG 4.41Å; A615-L619 PolarHBondContact O-N 2.9Å; P616-L619 PolarHBondContact O-N 3.24Å; L619-K621 PolarHBondContact O-N 3.28Å; L619-I657 HydrophobicContact CD1-CB 4.03Å; L619-I657 HydrophobicContact CD1-CD1 3.98Å; L619-I657 HydrophobicContact CD1-CG2 3.61Å
620	Q	79.9	Confident	86.3	Confident	58 Å²	58	28.7 Å²	28.7	27%	0.271	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-9.7	179.3	-67.9	177.8	-9.7	0	0	113.8	P616 K622 Q658	P616-Q620 WeakPolarHBondContact O-CB 3.5Å; P616-Q620 WeakPolarHBondContact O-CG 3.44Å; P616-Q620 PolarHBondContact O-N 3.19Å; Q620-K622 HydrophobicContact CB-CD 4.14Å; Q620-K622 HydrophobicContact CB-CG 3.98Å; Q620-K622 PolarHBondContact O-N 3.43Å; Q620-K622 VanDerWaalsContact OE1-CD 3.3Å; Q620-Q658 HydrophobicContact CG-CG 3.99Å; Q620-Q658 VanDerWaalsContact CG-OE1 3.29Å
621	K	78.6	Confident	87.4	Confident	127 Å²	127	28.5 Å²	28.5	55%	0.552	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	19.7	-177.3	-55.3	173.4	-174.7	168.3	0	114.7	R605 V607 E617 V618 L619 G623	R605-K621 WeakPolarHBondContact CG-O 3.37Å; V607-K621 HydrophobicContact CG2-CD 4.48Å; V607-K621 HydrophobicContact CG2-CG 4.11Å; E617-K621 PolarHBondContact O-N 3.35Å; E617-K621 VanDerWaalsContact O-N 3.15Å; V618-K621 PolarHBondContact O-N 3.33Å; L619-K621 PolarHBondContact O-N 3.28Å; K621-G623 VanDerWaalsContact C-N 3.31Å; K621-G623 PolarHBondContact O-N 3.24Å
622	K	75.5	Confident	88.3	Confident	145 Å²	145	26.3 Å²	26.3	63%	0.63	12%	0.123	S	C	*	.	S	Bend	trans	-66.3	-35.9	-175.6	-76.8	177.4	-178.4	165.4	0	112.2	E617 Q620	E617-K622 PolarHBondContact O-N 2.87Å; Q620-K622 HydrophobicContact CB-CD 4.14Å; Q620-K622 HydrophobicContact CB-CG 3.98Å; Q620-K622 PolarHBondContact O-N 3.43Å; Q620-K622 VanDerWaalsContact OE1-CD 3.3Å
623	G	79.5	Confident	89.2	Confident	6 Å²	6	25.5 Å²	25.5	6%	0.062	12%	0.116	C	C	.	.			trans	140.1	126.4	-167.7	0	0	0	0	0	108.2	R604 K621	R604-G623 CarbonylContact O-C 3.48Å; R604-G623 WeakPolarHBondContact O-CA 3.4Å; K621-G623 VanDerWaalsContact C-N 3.31Å; K621-G623 PolarHBondContact O-N 3.24Å
624	Y	87.4	Confident	89.7	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	-127.9	153.7	173.2	68.8	-96.7	0	0	0	111.1	R596 I598 F603 R604 T606 V618 L628	R596-Y624 WeakPolarHBondContact CD-OH 3.09Å; R596-Y624 PolarHBondContact NE-OH 2.73Å; R596-Y624 PolarHBondContact NH1-OH 3.46Å; I598-Y624 HydrophobicContact CD1-CD2 4.05Å; I598-Y624 HydrophobicContact CD1-CE2 3.72Å; F603-Y624 WeakPolarHBondContact CA-O 3.3Å; R604-Y624 HydrophobicContact CB-CD1 4.06Å; R604-Y624 HydrophobicContact CB-CD2 4.28Å; R604-Y624 HydrophobicContact CB-CE1 3.52Å; R604-Y624 HydrophobicContact CB-CE2 3.84Å; R604-Y624 HydrophobicContact CB-CG 4.42Å; R604-Y624 VanDerWaalsContact CB-CZ 3.43Å; R604-Y624 HydrophobicContact CG-CE2 4.37Å; R604-Y624 PolarHBondContact N-O 3.43Å; R604-Y624 WeakPolarHBondContact O-CD1 3.45Å; R604-Y624 WeakPolarHBondContact O-CE1 3.21Å; R604-Y624 PolarHBondContact O-N 2.82Å; T606-Y624 VanDerWaalsContact O-CE1 3.22Å; T606-Y624 WeakPolarHBondContact O-CE1 3.49Å; T606-Y624 PolarHBondContact OG1-OH 3.22Å; V618-Y624 HydrophobicContact CG1-CD1 4.5Å; V618-Y624 HydrophobicContact CG2-CD1 3.93Å; V618-Y624 HydrophobicContact CG2-CG 3.95Å; Y624-L628 HydrophobicContact CD2-CD2 3.25Å; Y624-L628 HydrophobicContact CD2-CG 4.5Å; Y624-L628 HydrophobicContact CE2-CD2 3.41Å; Y624-L628 VanDerWaalsContact CE2-CD2 3.41Å; Y624-L628 HydrophobicContact CG-CD2 4.19Å
625	N	89.9	Confident	90.1	Very high	28 Å²	28	25 Å²	25	15%	0.15	11%	0.114	C	C	.	.			trans	-124.7	-166.4	176	69.8	12.9	0	0	0	110.6	F603 R627 L628	F603-N625 HydrophobicContact CD1-CB 4.45Å; F603-N625 HydrophobicContact CE1-CB 4.34Å; N625-R627 PolarHBondContact O-N 2.92Å; N625-R627 WeakPolarHBondContact OD1-CB 3.47Å; N625-R627 PolarHBondContact OD1-N 2.98Å; N625-L628 PolarHBondContact O-N 3.24Å
626	K	93.8	Very high	90.4	Very high	22 Å²	22	25 Å²	25	10%	0.096	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-26.7	179.8	-62.4	-178.5	-78.8	-170.6	0	113.9	H561 D564 A566 I598 L628 D629	H561-K626 HydrophobicContact CB-CD 4.13Å; H561-K626 PolarHBondContact CE1-O 2.87Å; H561-K626 PolarHBondContact NE2-O 2.8Å; H561-K626 PolarHBondContact O-NZ 2.88Å; D564-K626 IonicContact OD1-NZ 2.64Å; D564-K626 PolarHBondContact OD1-NZ 3.13Å; A566-K626 HydrophobicContact CB-CG 4.28Å; I598-K626 HydrophobicContact CB-CG 4.25Å; I598-K626 WeakPolarHBondContact O-CD 3.08Å; I598-K626 WeakPolarHBondContact O-CE 3.43Å; K626-L628 PolarHBondContact O-N 2.95Å; K626-D629 PolarHBondContact O-N 2.97Å
627	R	94.5	Very high	90.8	Very high	66 Å²	66	24.9 Å²	24.9	25%	0.249	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-5.1	178	-66	-166.5	-175.9	-176.1	-1.8	115	N625 D629 M630 I688 E689 R691	N625-R627 PolarHBondContact O-N 2.92Å; N625-R627 WeakPolarHBondContact OD1-CB 3.47Å; N625-R627 PolarHBondContact OD1-N 2.98Å; R627-D629 PolarHBondContact O-N 3.06Å; R627-M630 PolarHBondContact O-N 2.82Å; R627-I688 HydrophobicContact CB-CG2 4.09Å; R627-I688 VanDerWaalsContact CD-O 3.3Å; R627-I688 WeakPolarHBondContact CD-O 3.41Å; R627-I688 HydrophobicContact CG-CG2 4.42Å; R627-I688 PolarHBondContact NH1-O 2.94Å; R627-E689 PolarHBondContact NH1-O 3.06Å; R627-R691 PolarHBondContact NH1-O 3.11Å; R627-R691 PolarHBondContact O-NH1 2.9Å
628	L	94.8	Very high	91.1	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-60.4	-36	170.5	96.6	83.8	0	0	0	110.9	C568 A615 Y624 N625 K626 M630 W631 S632	C568-L628 HydrophobicContact CB-CD2 4.5Å; A615-L628 HydrophobicContact CB-CB 4.29Å; Y624-L628 HydrophobicContact CD2-CD2 3.25Å; Y624-L628 HydrophobicContact CD2-CG 4.5Å; Y624-L628 HydrophobicContact CE2-CD2 3.41Å; Y624-L628 VanDerWaalsContact CE2-CD2 3.41Å; Y624-L628 HydrophobicContact CG-CD2 4.19Å; N625-L628 PolarHBondContact O-N 3.24Å; K626-L628 PolarHBondContact O-N 2.95Å; L628-M630 PolarHBondContact O-N 3.2Å; L628-W631 WeakPolarHBondContact O-CB 3.27Å; L628-W631 PolarHBondContact O-N 3.35Å; L628-S632 PolarHBondContact O-N 3.49Å; L628-S632 PolarHBondContact O-OG 2.96Å
629	D	96.9	Very high	91.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-67.1	-28.1	-179	-63	-32.4	0	0	0	111.3	L557 H561 A566 H567 C568 K626 R627 S632 L633	L557-D629 HydrophobicContact CD1-CB 4.44Å; L557-D629 HydrophobicContact CD2-CB 4.03Å; H561-D629 IonicContact CD2-OD2 3.59Å; H561-D629 IonicContact CE1-OD2 2.8Å; H561-D629 IonicContact NE2-OD2 2.7Å; H561-D629 PolarHBondContact NE2-OD2 2.84Å; A566-D629 WeakPolarHBondContact CA-OD2 3.39Å; H567-D629 PolarHBondContact N-OD1 2.75Å; H567-D629 PolarHBondContact N-OD2 2.86Å; C568-D629 PolarHBondContact N-OD1 2.67Å; K626-D629 PolarHBondContact O-N 2.97Å; R627-D629 PolarHBondContact O-N 3.06Å; D629-S632 PolarHBondContact O-N 3.06Å; D629-L633 WeakPolarHBondContact O-CB 3.44Å; D629-L633 PolarHBondContact O-N 2.88Å
630	M	98.1	Very high	92.1	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.01	10%	0.098	C	C	.	.	H	α-helix	trans	-71.9	-32.3	176.5	-59.3	-56.1	-66.6	0	0	112.6	L554 R627 L628 L633 G634 L683 I694 C697	L554-M630 HydrophobicContact CD2-CE 3.88Å; L554-M630 HydrophobicContact CD2-SD 4.39Å; R627-M630 PolarHBondContact O-N 2.82Å; L628-M630 PolarHBondContact O-N 3.2Å; M630-L633 HydrophobicContact CE-CD2 4.1Å; M630-L633 PolarHBondContact O-N 3.21Å; M630-L633 HydrophobicContact SD-CD2 4.47Å; M630-G634 PolarHBondContact O-N 2.83Å; M630-G634 VanDerWaalsContact O-N 3.09Å; M630-L683 HydrophobicContact CB-CD2 4.2Å; M630-L683 HydrophobicContact CE-CD2 3.67Å; M630-I694 HydrophobicContact CE-CG1 4.17Å; M630-I694 HydrophobicContact SD-CD1 4.4Å; M630-I694 HydrophobicContact SD-CG1 3.45Å; M630-I694 WeakPolarHBondContact SD-CG1 3.41Å; M630-C697 HydrophobicContact CE-CB 3.65Å
631	W	97	Very high	92.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-65.7	-49.5	170.2	173.6	-80.3	0	0	0	110.3	L614 A615 P616 L628 L633 G634 V635 F647 I657 A660 L684	L614-W631 PolarHBondContact O-NE1 3.35Å; A615-W631 VanDerWaalsContact CA-CD1 3.45Å; A615-W631 HydrophobicContact CB-CB 3.75Å; A615-W631 HydrophobicContact CB-CD2 4.26Å; A615-W631 HydrophobicContact CB-CG 3.67Å; P616-W631 HydrophobicContact CG-CE3 4.23Å; P616-W631 HydrophobicContact CG-CH2 4.01Å; P616-W631 HydrophobicContact CG-CZ2 4.49Å; P616-W631 HydrophobicContact CG-CZ3 3.87Å; L628-W631 WeakPolarHBondContact O-CB 3.27Å; L628-W631 PolarHBondContact O-N 3.35Å; W631-L633 PolarHBondContact O-N 2.92Å; W631-G634 WeakPolarHBondContact O-CA 3.28Å; W631-G634 PolarHBondContact O-N 2.61Å; W631-V635 PolarHBondContact O-N 2.95Å; W631-V635 VanDerWaalsContact O-N 3.07Å; W631-F647 AromaticContact CH2-CZ 3.94Å; W631-F647 HydrophobicContact CH2-CZ 3.94Å; W631-F647 AromaticContact CZ2-CE2 3.67Å; W631-F647 HydrophobicContact CZ2-CE2 3.67Å; W631-F647 AromaticContact CZ2-CZ 3.46Å; W631-F647 HydrophobicContact CZ2-CZ 3.46Å; W631-F647 VanDerWaalsContact CZ2-CZ 3.46Å; W631-I657 HydrophobicContact CZ2-CG2 3.87Å; W631-A660 HydrophobicContact CH2-CB 4.24Å; W631-L684 HydrophobicContact CD2-CD2 3.84Å; W631-L684 HydrophobicContact CE3-CB 4.48Å; W631-L684 HydrophobicContact CE3-CD2 4.15Å; W631-L684 HydrophobicContact CG-CD2 4.21Å; W631-L684 HydrophobicContact CZ2-CD2 4.29Å; W631-L684 VanDerWaalsContact CZ3-C 3.43Å; W631-L684 HydrophobicContact CZ3-CB 4.27Å; W631-L684 WeakPolarHBondContact CZ3-O 3.35Å; W631-L684 WeakPolarHBondContact O-CD2 3.46Å
632	S	96.6	Very high	93.4	Very high	4 Å²	4	13.7 Å²	13.7	3%	0.028	6%	0.063	C	C	.	.	H	α-helix	trans	-59.5	-35.2	177.2	-55.3	0	0	0	0	111.8	Y613 L628 D629 V635 V636	Y613-S632 PolarHBondContact O-OG 3.37Å; L628-S632 PolarHBondContact O-N 3.49Å; L628-S632 PolarHBondContact O-OG 2.96Å; D629-S632 PolarHBondContact O-N 3.06Å; S632-V635 PolarHBondContact O-N 3.42Å; S632-V636 WeakPolarHBondContact O-CG2 3.18Å; S632-V636 PolarHBondContact O-N 3.39Å
633	L	98.4	Very high	93.7	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-61.9	-43.1	171.2	-172.8	70.5	0	0	0	112.3	I550 I553 L554 L570 D629 M630 W631 V635 V636 I637	I550-L633 HydrophobicContact CD1-CD1 3.67Å; I550-L633 HydrophobicContact CD1-CG 4.49Å; I550-L633 HydrophobicContact CG2-CD1 4.5Å; I553-L633 HydrophobicContact CB-CD1 4.4Å; I553-L633 HydrophobicContact CG2-CD1 3.65Å; L554-L633 HydrophobicContact CD1-CD2 4.46Å; L554-L633 HydrophobicContact CD2-CD2 3.48Å; L554-L633 VanDerWaalsContact CD2-CD2 3.48Å; L554-L633 HydrophobicContact CG-CD2 3.85Å; L570-L633 HydrophobicContact CD2-CB 4.08Å; L570-L633 HydrophobicContact CD2-CD1 4.24Å; D629-L633 WeakPolarHBondContact O-CB 3.44Å; D629-L633 PolarHBondContact O-N 2.88Å; M630-L633 HydrophobicContact CE-CD2 4.1Å; M630-L633 PolarHBondContact O-N 3.21Å; M630-L633 HydrophobicContact SD-CD2 4.47Å; W631-L633 PolarHBondContact O-N 2.92Å; L633-V635 VanDerWaalsContact C-N 3.31Å; L633-V635 PolarHBondContact O-N 3.41Å; L633-V636 WeakPolarHBondContact O-CB 3.27Å; L633-V636 PolarHBondContact O-N 2.85Å; L633-V636 VanDerWaalsContact O-N 3.16Å; L633-I637 HydrophobicContact CG-CD1 4.26Å; L633-I637 WeakPolarHBondContact O-CG1 3.39Å; L633-I637 PolarHBondContact O-N 2.8Å
634	G	97.9	Very high	93.8	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-57.3	-43.2	173.7	0	0	0	0	0	112.6	M630 W631 I637 Y638	M630-G634 PolarHBondContact O-N 2.83Å; M630-G634 VanDerWaalsContact O-N 3.09Å; W631-G634 WeakPolarHBondContact O-CA 3.28Å; W631-G634 PolarHBondContact O-N 2.61Å; G634-I637 PolarHBondContact O-N 3.37Å; G634-Y638 PolarHBondContact O-N 2.92Å
635	V	95.5	Very high	93.7	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-64.9	-42.3	174	-177.9	0	0	0	0	111.3	Y613 W631 S632 L633 I637 Y638 V639 F645 P646 F647 L684	Y613-V635 HydrophobicContact CD1-CB 3.9Å; Y613-V635 HydrophobicContact CD1-CG1 3.5Å; Y613-V635 HydrophobicContact CE1-CB 4.43Å; Y613-V635 HydrophobicContact CE1-CG1 3.74Å; Y613-V635 HydrophobicContact CG-CG1 4.32Å; W631-V635 PolarHBondContact O-N 2.95Å; W631-V635 VanDerWaalsContact O-N 3.07Å; S632-V635 PolarHBondContact O-N 3.42Å; L633-V635 VanDerWaalsContact C-N 3.31Å; L633-V635 PolarHBondContact O-N 3.41Å; V635-I637 PolarHBondContact O-N 2.78Å; V635-Y638 PolarHBondContact O-N 2.9Å; V635-V639 HydrophobicContact CG1-CG2 4.15Å; V635-V639 WeakPolarHBondContact O-CB 3.41Å; V635-V639 VanDerWaalsContact O-CG2 3.3Å; V635-V639 WeakPolarHBondContact O-CG2 3.49Å; V635-V639 PolarHBondContact O-N 3.49Å; V635-F645 HydrophobicContact CG1-CD1 4.44Å; V635-P646 HydrophobicContact CG1-CG 4.12Å; V635-P646 HydrophobicContact CG2-CG 4.37Å; V635-F647 HydrophobicContact CG2-CE2 4.24Å; V635-L684 HydrophobicContact CG2-CD2 3.81Å
636	V	97.1	Very high	93.4	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-58.9	-45.2	175.5	167.8	0	0	0	0	111.2	M529 I550 P572 Y613 S632 L633 T640	M529-V636 HydrophobicContact CE-CG1 4.08Å; M529-V636 HydrophobicContact SD-CG1 4.21Å; I550-V636 HydrophobicContact CD1-CG1 4.13Å; P572-V636 HydrophobicContact CG-CG1 4.45Å; P572-V636 HydrophobicContact CG-CG2 4.33Å; Y613-V636 HydrophobicContact CD1-CG2 4.28Å; Y613-V636 HydrophobicContact CE1-CG2 4.13Å; S632-V636 WeakPolarHBondContact O-CG2 3.18Å; S632-V636 PolarHBondContact O-N 3.39Å; L633-V636 WeakPolarHBondContact O-CB 3.27Å; L633-V636 PolarHBondContact O-N 2.85Å; L633-V636 VanDerWaalsContact O-N 3.16Å; V636-T640 VanDerWaalsContact O-CB 3.25Å; V636-T640 WeakPolarHBondContact O-CB 3.25Å; V636-T640 PolarHBondContact O-N 2.93Å; V636-T640 PolarHBondContact O-OG1 3.23Å
637	I	98.4	Very high	92.8	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-62.8	-47.5	177.7	-63.1	165.3	0	0	0	110.2	I550 L633 G634 V635 T640 L641 L679 I680 L683 W702	I550-I637 HydrophobicContact CD1-CD1 4.17Å; I550-I637 HydrophobicContact CD1-CG1 3.38Å; I550-I637 HydrophobicContact CG1-CD1 4.48Å; I550-I637 HydrophobicContact CG1-CG1 3.83Å; I550-I637 HydrophobicContact CG2-CD1 4.17Å; I550-I637 HydrophobicContact CG2-CG1 4.43Å; L633-I637 HydrophobicContact CG-CD1 4.26Å; L633-I637 WeakPolarHBondContact O-CG1 3.39Å; L633-I637 PolarHBondContact O-N 2.8Å; G634-I637 PolarHBondContact O-N 3.37Å; V635-I637 PolarHBondContact O-N 2.78Å; I637-T640 PolarHBondContact O-N 3.39Å; I637-L641 HydrophobicContact CG2-CD1 3.78Å; I637-L641 HydrophobicContact CG2-CG 4.36Å; I637-L641 WeakPolarHBondContact O-CG 3.4Å; I637-L641 PolarHBondContact O-N 3.24Å; I637-L679 HydrophobicContact CD1-CD2 4.11Å; I637-I680 HydrophobicContact CB-CG1 4.13Å; I637-I680 HydrophobicContact CG2-CD1 3.88Å; I637-I680 HydrophobicContact CG2-CG1 3.68Å; I637-L683 HydrophobicContact CD1-CD1 3.55Å; I637-W702 HydrophobicContact CG2-CH2 3.99Å; I637-W702 HydrophobicContact CG2-CZ3 4.31Å
638	Y	96.2	Very high	91.7	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-54.8	-57.1	177	-173.5	-74	0	0	0	110.8	L260 G634 V635 T640 L641 S642 T644 F645 P646 F662 M663 Y664 W669 I680	L260-Y638 WeakPolarHBondContact CD1-OH 3.41Å; G634-Y638 PolarHBondContact O-N 2.92Å; V635-Y638 PolarHBondContact O-N 2.9Å; Y638-T640 VanDerWaalsContact C-N 3.27Å; Y638-T640 PolarHBondContact O-N 3.06Å; Y638-L641 PolarHBondContact O-N 3.47Å; Y638-S642 WeakPolarHBondContact CD1-OG 3.07Å; Y638-S642 WeakPolarHBondContact CE1-OG 3.24Å; Y638-S642 WeakPolarHBondContact O-CB 3.47Å; Y638-S642 PolarHBondContact O-N 3.05Å; Y638-S642 PolarHBondContact O-OG 2.87Å; Y638-T644 VanDerWaalsContact CD1-O 3.27Å; Y638-T644 WeakPolarHBondContact CD1-O 3.32Å; Y638-T644 WeakPolarHBondContact CE1-O 3.18Å; Y638-F645 VanDerWaalsContact CE1-C 3.49Å; Y638-P646 HydrophobicContact CD1-CB 3.86Å; Y638-P646 HydrophobicContact CD1-CG 4.11Å; Y638-P646 HydrophobicContact CD2-CB 3.84Å; Y638-P646 HydrophobicContact CE1-CB 3.95Å; Y638-P646 HydrophobicContact CE2-CB 3.91Å; Y638-P646 HydrophobicContact CG-CB 3.83Å; Y638-P646 HydrophobicContact CG-CG 4.14Å; Y638-F662 HydrophobicContact CD2-CD2 4.42Å; Y638-F662 HydrophobicContact CE2-CD2 4.14Å; Y638-M663 PolarHBondContact OH-O 3.44Å; Y638-Y664 HydrophobicContact CD2-CD1 4.33Å; Y638-Y664 AromaticContact CD2-CE1 3.94Å; Y638-Y664 HydrophobicContact CD2-CE1 3.94Å; Y638-Y664 AromaticContact CE2-CD1 3.82Å; Y638-Y664 HydrophobicContact CE2-CD1 3.82Å; Y638-Y664 AromaticContact CE2-CE1 3.87Å; Y638-Y664 HydrophobicContact CE2-CE1 3.87Å; Y638-W669 HydrophobicContact CD1-CZ2 4.08Å; Y638-W669 AromaticContact CD2-CH2 3.78Å; Y638-W669 HydrophobicContact CD2-CH2 3.78Å; Y638-W669 AromaticContact CD2-CZ2 3.4Å; Y638-W669 HydrophobicContact CD2-CZ2 3.4Å; Y638-W669 VanDerWaalsContact CD2-CZ2 3.4Å; Y638-W669 HydrophobicContact CE1-CZ2 4.04Å; Y638-W669 AromaticContact CE2-CE2 3.88Å; Y638-W669 HydrophobicContact CE2-CH2 4.14Å; Y638-W669 AromaticContact CE2-CZ2 3.38Å; Y638-W669 HydrophobicContact CE2-CZ2 3.38Å; Y638-W669 HydrophobicContact CG-CH2 4.16Å; Y638-W669 AromaticContact CG-CZ2 3.76Å; Y638-W669 HydrophobicContact CG-CZ2 3.76Å; Y638-W669 AromaticContact CZ-CZ2 3.7Å; Y638-W669 AromaticContact CZ-NE1 3.83Å; Y638-I680 HydrophobicContact CD2-CG2 4.38Å
639	V	92.8	Very high	90	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-57.8	-39.6	-179.2	170.9	0	0	0	0	111.9	L263 V635 G643 T644 F645	L263-V639 HydrophobicContact CD1-CG1 3.63Å; L263-V639 HydrophobicContact CD2-CG1 3.59Å; L263-V639 HydrophobicContact CG-CG1 4.19Å; V635-V639 HydrophobicContact CG1-CG2 4.15Å; V635-V639 WeakPolarHBondContact O-CB 3.41Å; V635-V639 VanDerWaalsContact O-CG2 3.3Å; V635-V639 WeakPolarHBondContact O-CG2 3.49Å; V635-V639 PolarHBondContact O-N 3.49Å; V639-G643 WeakPolarHBondContact O-CA 3.46Å; V639-G643 PolarHBondContact O-N 2.78Å; V639-T644 WeakPolarHBondContact CA-O 3.28Å; V639-T644 WeakPolarHBondContact CG2-O 3.27Å; V639-F645 HydrophobicContact CG2-CD1 3.73Å; V639-F645 HydrophobicContact CG2-CE1 3.89Å; V639-F645 HydrophobicContact CG2-CG 4.28Å
640	T	95.7	Very high	88.3	Confident	0 Å²	0	9 Å²	9	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-69.2	-38.9	-178.3	-56.1	0	0	0	0	112.2	M529 I533 L541 T546 V636 I637 Y638	M529-T640 HydrophobicContact CE-CG2 3.73Å; M529-T640 VanDerWaalsContact CE-OG1 3.24Å; M529-T640 WeakPolarHBondContact CE-OG1 3.42Å; I533-T640 HydrophobicContact CD1-CG2 4.17Å; I533-T640 HydrophobicContact CG1-CG2 4.15Å; L541-T640 HydrophobicContact CB-CG2 3.87Å; L541-T640 HydrophobicContact CD1-CG2 3.76Å; L541-T640 HydrophobicContact CG-CG2 3.95Å; L541-T640 PolarHBondContact N-O 3.5Å; T546-T640 HydrophobicContact CG2-CG2 3.74Å; T546-T640 WeakPolarHBondContact OG1-CG2 3.33Å; V636-T640 VanDerWaalsContact O-CB 3.25Å; V636-T640 WeakPolarHBondContact O-CB 3.25Å; V636-T640 PolarHBondContact O-N 2.93Å; V636-T640 PolarHBondContact O-OG1 3.23Å; I637-T640 PolarHBondContact O-N 3.39Å; Y638-T640 VanDerWaalsContact C-N 3.27Å; Y638-T640 PolarHBondContact O-N 3.06Å
641	L	96.2	Very high	86.2	Confident	2 Å²	2	18 Å²	18	1%	0.01	10%	0.101	C	C	.	.	H	α-helix	trans	-82.5	-28.6	-179.6	-66.4	177	0	0	0	113.4	R540 E543 T546 I637 Y638 W669 I672 A676 I680 W702	R540-L641 WeakPolarHBondContact CD-O 3.43Å; E543-L641 HydrophobicContact CG-CD2 3.83Å; T546-L641 HydrophobicContact CG2-CD2 3.98Å; T546-L641 HydrophobicContact CG2-CG 4.13Å; T546-L641 WeakPolarHBondContact OG1-CD2 3.4Å; I637-L641 HydrophobicContact CG2-CD1 3.78Å; I637-L641 HydrophobicContact CG2-CG 4.36Å; I637-L641 WeakPolarHBondContact O-CG 3.4Å; I637-L641 PolarHBondContact O-N 3.24Å; Y638-L641 PolarHBondContact O-N 3.47Å; L641-W669 HydrophobicContact CB-CH2 4.28Å; L641-I672 HydrophobicContact CB-CD1 3.9Å; L641-I672 HydrophobicContact CD1-CG2 4.22Å; L641-A676 HydrophobicContact CD1-CB 4.02Å; L641-I680 HydrophobicContact CD1-CD1 4.38Å; L641-W702 HydrophobicContact CD1-CH2 4.37Å; L641-W702 HydrophobicContact CD1-CZ2 4.03Å
642	S	88.6	Confident	84.8	Confident	11 Å²	11	22.8 Å²	22.8	8%	0.077	13%	0.127	C	C	.	.	H	α-helix	trans	-100	-33.5	-177.1	66.9	0	0	0	0	114.9	Y638 T644	Y638-S642 WeakPolarHBondContact CD1-OG 3.07Å; Y638-S642 WeakPolarHBondContact CE1-OG 3.24Å; Y638-S642 WeakPolarHBondContact O-CB 3.47Å; Y638-S642 PolarHBondContact O-N 3.05Å; Y638-S642 PolarHBondContact O-OG 2.87Å; S642-T644 VanDerWaalsContact C-N 3.29Å; S642-T644 WeakPolarHBondContact CB-OG1 3.35Å; S642-T644 PolarHBondContact OG-N 2.8Å; S642-T644 PolarHBondContact OG-O 2.57Å; S642-T644 PolarHBondContact OG-OG1 3.03Å; S642-T644 VanDerWaalsContact OG-OG1 3.09Å
643	G	82.4	Confident	83.5	Confident	10 Å²	10	23.3 Å²	23.3	10%	0.103	13%	0.129	C	C	.	.	S	Bend	trans	77.3	11.8	-164.8	0	0	0	0	0	114.1	L263 G539 V639	L263-G643 VanDerWaalsContact CB-O 3.3Å; L263-G643 WeakPolarHBondContact CB-O 3.46Å; L263-G643 PolarHBondContact N-O 2.8Å; G539-G643 VanDerWaalsContact O-CA 3.25Å; G539-G643 WeakPolarHBondContact O-CA 3.3Å; V639-G643 WeakPolarHBondContact O-CA 3.46Å; V639-G643 PolarHBondContact O-N 2.78Å
644	T	82.4	Confident	82.3	Confident	22 Å²	22	25.1 Å²	25.1	14%	0.135	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-136.3	160.8	-179.1	60.2	0	0	0	0	111.9	L260 I261 Y638 V639 S642	L260-T644 HydrophobicContact CB-CG2 4.12Å; I261-T644 VanDerWaalsContact O-CA 3.27Å; I261-T644 WeakPolarHBondContact O-CA 3.35Å; I261-T644 WeakPolarHBondContact O-CB 3.29Å; Y638-T644 VanDerWaalsContact CD1-O 3.27Å; Y638-T644 WeakPolarHBondContact CD1-O 3.32Å; Y638-T644 WeakPolarHBondContact CE1-O 3.18Å; V639-T644 WeakPolarHBondContact CA-O 3.28Å; V639-T644 WeakPolarHBondContact CG2-O 3.27Å; S642-T644 VanDerWaalsContact C-N 3.29Å; S642-T644 WeakPolarHBondContact CB-OG1 3.35Å; S642-T644 PolarHBondContact OG-N 2.8Å; S642-T644 PolarHBondContact OG-O 2.57Å; S642-T644 PolarHBondContact OG-OG1 3.03Å; S642-T644 VanDerWaalsContact OG-OG1 3.09Å
645	F	84	Confident	81.3	Confident	22 Å²	22	29.3 Å²	29.3	10%	0.096	17%	0.167	C	C	.	.			trans	-78.7	150.4	171.1	-74.8	-81.8	0	0	0	112.3	I261 L263 A612 Y613 V635 Y638 V639	I261-F645 PolarHBondContact O-N 3.47Å; L263-F645 HydrophobicContact CD1-CE2 3.71Å; L263-F645 HydrophobicContact CD1-CZ 3.86Å; A612-F645 HydrophobicContact CB-CD1 3.78Å; A612-F645 HydrophobicContact CB-CE1 3.5Å; A612-F645 HydrophobicContact CB-CZ 4.11Å; Y613-F645 HydrophobicContact CE1-CE1 4.22Å; Y613-F645 AromaticContact CE2-CE1 3.85Å; Y613-F645 HydrophobicContact CE2-CE1 3.85Å; Y613-F645 HydrophobicContact CE2-CZ 4.22Å; Y613-F645 AromaticContact CZ-CE1 3.61Å; V635-F645 HydrophobicContact CG1-CD1 4.44Å; Y638-F645 VanDerWaalsContact CE1-C 3.49Å; V639-F645 HydrophobicContact CG2-CD1 3.73Å; V639-F645 HydrophobicContact CG2-CE1 3.89Å; V639-F645 HydrophobicContact CG2-CG 4.28Å
646	P	84.5	Confident	80.4	Confident	3 Å²	3	31 Å²	31	2%	0.019	17%	0.174	C	C	.	.	S	Bend	trans	-74	-27.7	174.2	26.2	-30.3	0	0	0	113.2	V635 Y638 F662	V635-P646 HydrophobicContact CG1-CG 4.12Å; V635-P646 HydrophobicContact CG2-CG 4.37Å; Y638-P646 HydrophobicContact CD1-CB 3.86Å; Y638-P646 HydrophobicContact CD1-CG 4.11Å; Y638-P646 HydrophobicContact CD2-CB 3.84Å; Y638-P646 HydrophobicContact CE1-CB 3.95Å; Y638-P646 HydrophobicContact CE2-CB 3.91Å; Y638-P646 HydrophobicContact CG-CB 3.83Å; Y638-P646 HydrophobicContact CG-CG 4.14Å; P646-F662 HydrophobicContact CB-CB 3.97Å; P646-F662 HydrophobicContact CB-CD2 4.13Å; P646-F662 HydrophobicContact CB-CG 4.16Å; P646-F662 WeakPolarHBondContact O-CB 3.33Å
647	F	81.6	Confident	79.5	Confident	5 Å²	5	31 Å²	31	2%	0.022	18%	0.175	C	C	.	.	S	Bend	trans	-116.1	140.2	-178	-45.8	-68.8	0	0	0	110.2	W631 V635 I653 Q656 I657 F662	W631-F647 AromaticContact CH2-CZ 3.94Å; W631-F647 HydrophobicContact CH2-CZ 3.94Å; W631-F647 AromaticContact CZ2-CE2 3.67Å; W631-F647 HydrophobicContact CZ2-CE2 3.67Å; W631-F647 AromaticContact CZ2-CZ 3.46Å; W631-F647 HydrophobicContact CZ2-CZ 3.46Å; W631-F647 VanDerWaalsContact CZ2-CZ 3.46Å; V635-F647 HydrophobicContact CG2-CE2 4.24Å; F647-I653 HydrophobicContact CB-CD1 3.96Å; F647-I653 HydrophobicContact CB-CG1 3.59Å; F647-Q656 HydrophobicContact CD1-CB 4.02Å; F647-I657 HydrophobicContact CB-CG1 4.16Å; F647-I657 HydrophobicContact CD1-CG1 4.1Å; F647-I657 HydrophobicContact CD2-CD1 4.27Å; F647-I657 HydrophobicContact CD2-CG1 3.56Å; F647-I657 HydrophobicContact CE1-CG1 4.4Å; F647-I657 HydrophobicContact CE2-CG1 3.93Å; F647-I657 HydrophobicContact CG-CG1 3.67Å; F647-I657 HydrophobicContact CZ-CG1 4.34Å; F647-F662 HydrophobicContact CD1-CB 4.01Å; F647-F662 HydrophobicContact CE1-CB 3.83Å; F647-F662 AromaticContact CE1-CD1 3.76Å; F647-F662 HydrophobicContact CE1-CD1 3.76Å; F647-F662 HydrophobicContact CE1-CG 4.13Å; F647-F662 HydrophobicContact CZ-CD1 4.13Å
648	N	70.6	Confident	78.5	Confident	25 Å²	25	33.6 Å²	33.6	13%	0.134	19%	0.187	C	C	.	.			trans	-94.3	135.4	-172.7	-65.3	-25	0	0	0	111.8	E259 L260 G650 I653	E259-N648 VanDerWaalsContact O-CG 3.29Å; E259-N648 PolarHBondContact O-ND2 3.11Å; E259-N648 PolarHBondContact O-OD1 2.96Å; E259-N648 VanDerWaalsContact O-OD1 3.1Å; L260-N648 WeakPolarHBondContact CD2-OD1 3.35Å; N648-G650 PolarHBondContact O-N 3.24Å; N648-I653 WeakPolarHBondContact O-CB 3.49Å; N648-I653 WeakPolarHBondContact O-CG1 3.26Å
649	E	60.1	Low	77.8	Confident	45 Å²	45	39.2 Å²	39.2	21%	0.21	22%	0.217	C	C	.	.	S	Bend	trans	-64.2	13.2	-178.8	-66.1	172.2	-175	0	0	116.2	Y93 L108 I261	Y93-E649 WeakPolarHBondContact CD1-OE1 3.43Å; Y93-E649 WeakPolarHBondContact CE1-OE2 3.37Å; L108-E649 WeakPolarHBondContact CB-O 3.38Å; I261-E649 HydrophobicContact CD1-CB 3.44Å; I261-E649 VanDerWaalsContact CD1-CB 3.44Å; I261-E649 HydrophobicContact CD1-CG 3.37Å; I261-E649 VanDerWaalsContact CD1-N 3.28Å
650	G	59.3	Low	77.3	Confident	39 Å²	39	40.3 Å²	40.3	40%	0.402	23%	0.226	S	C	.	.	S	Bend	trans	-66	170.5	170.3	0	0	0	0	0	112.2	L108 N648 D652 I653	L108-G650 WeakPolarHBondContact CD1-O 3.41Å; N648-G650 PolarHBondContact O-N 3.24Å; G650-D652 PolarHBondContact O-N 2.87Å; G650-I653 PolarHBondContact O-N 3.24Å; G650-I653 VanDerWaalsContact O-N 3.08Å
651	E	55.2	Low	76.6	Confident	190 Å²	190	45.4 Å²	45.4	89%	0.888	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-25	-178	-63	-168.1	147.4	0	0	112.7
652	D	68.4	Low	76.1	Confident	101 Å²	101	47.2 Å²	47.2	54%	0.54	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	2.9	-179.6	-49.6	-42.7	0	0	0	115.2	G650 A654 D655 Q656	G650-D652 PolarHBondContact O-N 2.87Å; D652-A654 PolarHBondContact O-N 3.48Å; D652-A654 VanDerWaalsContact O-N 3.09Å; D652-D655 CarbonylContact O-C 3.38Å; D652-D655 WeakPolarHBondContact O-CA 3.45Å; D652-D655 PolarHBondContact O-N 2.99Å; D652-Q656 PolarHBondContact O-N 2.72Å
653	I	69	Low	75.9	Confident	14 Å²	14	51.6 Å²	51.6	7%	0.072	28%	0.282	C	S	.	.	H	α-helix	trans	-57.2	-33.3	-178	-150.7	179.8	0	0	0	112.3	L108 F647 N648 G650 D655 Q656 I657	L108-I653 HydrophobicContact CD1-CB 4.04Å; L108-I653 HydrophobicContact CD1-CG2 3.35Å; L108-I653 HydrophobicContact CD2-CG2 3.53Å; L108-I653 HydrophobicContact CG-CG2 4.06Å; F647-I653 HydrophobicContact CB-CD1 3.96Å; F647-I653 HydrophobicContact CB-CG1 3.59Å; N648-I653 WeakPolarHBondContact O-CB 3.49Å; N648-I653 WeakPolarHBondContact O-CG1 3.26Å; G650-I653 PolarHBondContact O-N 3.24Å; G650-I653 VanDerWaalsContact O-N 3.08Å; I653-D655 VanDerWaalsContact C-N 3.27Å; I653-D655 PolarHBondContact O-N 3.42Å; I653-Q656 PolarHBondContact O-N 3.46Å; I653-I657 HydrophobicContact CD1-CD1 4.41Å; I653-I657 HydrophobicContact CG1-CD1 4.1Å; I653-I657 HydrophobicContact CG1-CG1 4.49Å; I653-I657 WeakPolarHBondContact O-CB 3.5Å; I653-I657 VanDerWaalsContact O-CG1 3.28Å; I653-I657 WeakPolarHBondContact O-CG1 3.26Å; I653-I657 PolarHBondContact O-N 3.12Å
654	A	72.3	Confident	76.2	Confident	39 Å²	39	54.4 Å²	54.4	32%	0.322	29%	0.29	S	S	.	.	H	α-helix	trans	-66.5	-35.5	179.1	0	0	0	0	0	110.3	D652 Q658	D652-A654 PolarHBondContact O-N 3.48Å; D652-A654 VanDerWaalsContact O-N 3.09Å; A654-Q658 VanDerWaalsContact O-CB 3.28Å; A654-Q658 WeakPolarHBondContact O-CB 3.18Å; A654-Q658 WeakPolarHBondContact O-CG 3.45Å; A654-Q658 PolarHBondContact O-N 3.46Å; A654-Q658 VanDerWaalsContact O-N 3.09Å; A654-Q658 PolarHBondContact O-NE2 3.38Å
655	D	76.7	Confident	76.2	Confident	87 Å²	87	55.3 Å²	55.3	47%	0.465	30%	0.296	S	S	.	.	H	α-helix	trans	-80.5	-36.1	177.9	-68.3	-15.7	0	0	0	111	D652 I653 Q658 N659	D652-D655 CarbonylContact O-C 3.38Å; D652-D655 WeakPolarHBondContact O-CA 3.45Å; D652-D655 PolarHBondContact O-N 2.99Å; I653-D655 VanDerWaalsContact C-N 3.27Å; I653-D655 PolarHBondContact O-N 3.42Å; D655-Q658 PolarHBondContact O-N 3.44Å; D655-Q658 PolarHBondContact OD1-NE2 2.9Å; D655-Q658 VanDerWaalsContact OD1-NE2 3.16Å; D655-N659 WeakPolarHBondContact O-CB 3.47Å; D655-N659 PolarHBondContact O-N 3.45Å; D655-N659 PolarHBondContact O-ND2 3.12Å
656	Q	77.4	Confident	76.2	Confident	35 Å²	35	58.9 Å²	58.9	16%	0.164	32%	0.323	C	S	.	.	H	α-helix	trans	-57.6	-50.3	170.2	-70	173.3	19.9	0	0	111.7	F647 D652 I653 Q658 N659 A660 D661	F647-Q656 HydrophobicContact CD1-CB 4.02Å; D652-Q656 PolarHBondContact O-N 2.72Å; I653-Q656 PolarHBondContact O-N 3.46Å; Q656-Q658 VanDerWaalsContact C-N 3.34Å; Q656-Q658 PolarHBondContact O-N 2.95Å; Q656-N659 PolarHBondContact O-N 2.94Å; Q656-A660 CarbonylContact O-C 3.43Å; Q656-A660 WeakPolarHBondContact O-CA 3.5Å; Q656-A660 PolarHBondContact O-N 3.21Å; Q656-D661 PolarHBondContact O-N 3.19Å
657	I	77.3	Confident	76	Confident	2 Å²	2	64.8 Å²	64.8	1%	0.01	36%	0.355	C	S	.	.	H	α-helix	trans	-61.7	-42.2	176.3	-70.4	165.9	0	0	0	111.1	P616 L619 W631 F647 I653 N659 A660	P616-I657 HydrophobicContact CB-CG2 4.01Å; L619-I657 HydrophobicContact CD1-CB 4.03Å; L619-I657 HydrophobicContact CD1-CD1 3.98Å; L619-I657 HydrophobicContact CD1-CG2 3.61Å; W631-I657 HydrophobicContact CZ2-CG2 3.87Å; F647-I657 HydrophobicContact CB-CG1 4.16Å; F647-I657 HydrophobicContact CD1-CG1 4.1Å; F647-I657 HydrophobicContact CD2-CD1 4.27Å; F647-I657 HydrophobicContact CD2-CG1 3.56Å; F647-I657 HydrophobicContact CE1-CG1 4.4Å; F647-I657 HydrophobicContact CE2-CG1 3.93Å; F647-I657 HydrophobicContact CG-CG1 3.67Å; F647-I657 HydrophobicContact CZ-CG1 4.34Å; I653-I657 HydrophobicContact CD1-CD1 4.41Å; I653-I657 HydrophobicContact CG1-CD1 4.1Å; I653-I657 HydrophobicContact CG1-CG1 4.49Å; I653-I657 WeakPolarHBondContact O-CB 3.5Å; I653-I657 VanDerWaalsContact O-CG1 3.28Å; I653-I657 WeakPolarHBondContact O-CG1 3.26Å; I653-I657 PolarHBondContact O-N 3.12Å; I657-N659 VanDerWaalsContact C-N 3.34Å; I657-N659 PolarHBondContact O-N 2.87Å; I657-A660 PolarHBondContact O-N 3.09Å
658	Q	78.8	Confident	76.3	Confident	54 Å²	54	65.1 Å²	65.1	25%	0.252	36%	0.357	S	S	.	.	H	α-helix	trans	-69.5	-27.5	-179.5	-76.3	176.8	92.2	0	0	114.3	Q620 A654 D655 Q656 V686	Q620-Q658 HydrophobicContact CG-CG 3.99Å; Q620-Q658 VanDerWaalsContact CG-OE1 3.29Å; A654-Q658 VanDerWaalsContact O-CB 3.28Å; A654-Q658 WeakPolarHBondContact O-CB 3.18Å; A654-Q658 WeakPolarHBondContact O-CG 3.45Å; A654-Q658 PolarHBondContact O-N 3.46Å; A654-Q658 VanDerWaalsContact O-N 3.09Å; A654-Q658 PolarHBondContact O-NE2 3.38Å; D655-Q658 PolarHBondContact O-N 3.44Å; D655-Q658 PolarHBondContact OD1-NE2 2.9Å; D655-Q658 VanDerWaalsContact OD1-NE2 3.16Å; Q656-Q658 VanDerWaalsContact C-N 3.34Å; Q656-Q658 PolarHBondContact O-N 2.95Å; Q658-V686 WeakPolarHBondContact O-CG1 3.26Å; Q658-V686 WeakPolarHBondContact O-CG2 3.07Å
659	N	80.6	Confident	77.4	Confident	117 Å²	117	64.6 Å²	64.6	63%	0.626	35%	0.353	S	S	*	.	H	α-helix	trans	-95.9	-6.7	176.8	-65	-45.3	0	0	0	112.8	D655 Q656 I657 D661	D655-N659 WeakPolarHBondContact O-CB 3.47Å; D655-N659 PolarHBondContact O-N 3.45Å; D655-N659 PolarHBondContact O-ND2 3.12Å; Q656-N659 PolarHBondContact O-N 2.94Å; I657-N659 VanDerWaalsContact C-N 3.34Å; I657-N659 PolarHBondContact O-N 2.87Å; N659-D661 HydrophobicContact CB-CB 4.11Å; N659-D661 PolarHBondContact O-N 3.24Å
660	A	81.5	Confident	78.9	Confident	24 Å²	24	67.2 Å²	67.2	20%	0.198	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.7	41.6	-162.4	0	0	0	0	0	112.1	W631 Q656 I657 F662 L684 V686	W631-A660 HydrophobicContact CH2-CB 4.24Å; Q656-A660 CarbonylContact O-C 3.43Å; Q656-A660 WeakPolarHBondContact O-CA 3.5Å; Q656-A660 PolarHBondContact O-N 3.21Å; I657-A660 PolarHBondContact O-N 3.09Å; A660-F662 HydrophobicContact CB-CD1 4.46Å; A660-F662 HydrophobicContact CB-CE1 4.26Å; A660-F662 WeakPolarHBondContact O-CD1 3.43Å; A660-F662 PolarHBondContact O-N 3.4Å; A660-L684 WeakPolarHBondContact CB-O 3.22Å; A660-V686 HydrophobicContact CB-CG2 3.49Å; A660-V686 VanDerWaalsContact CB-CG2 3.49Å
661	D	82.2	Confident	80.5	Confident	107 Å²	107	71.5 Å²	71.5	57%	0.572	39%	0.386	S	S	*	.			trans	-86.1	95	178.1	-169.6	16.1	0	0	0	109.1	Q656 N659	Q656-D661 PolarHBondContact O-N 3.19Å; N659-D661 HydrophobicContact CB-CB 4.11Å; N659-D661 PolarHBondContact O-N 3.24Å
662	F	85.5	Confident	82.5	Confident	39 Å²	39	63.3 Å²	63.3	17%	0.171	35%	0.348	C	S	.	.			trans	-144.7	160.4	176.7	66.6	-83.2	0	0	0	109.9	Y638 P646 F647 A660 Y664 I680 L684	Y638-F662 HydrophobicContact CD2-CD2 4.42Å; Y638-F662 HydrophobicContact CE2-CD2 4.14Å; P646-F662 HydrophobicContact CB-CB 3.97Å; P646-F662 HydrophobicContact CB-CD2 4.13Å; P646-F662 HydrophobicContact CB-CG 4.16Å; P646-F662 WeakPolarHBondContact O-CB 3.33Å; F647-F662 HydrophobicContact CD1-CB 4.01Å; F647-F662 HydrophobicContact CE1-CB 3.83Å; F647-F662 AromaticContact CE1-CD1 3.76Å; F647-F662 HydrophobicContact CE1-CD1 3.76Å; F647-F662 HydrophobicContact CE1-CG 4.13Å; F647-F662 HydrophobicContact CZ-CD1 4.13Å; A660-F662 HydrophobicContact CB-CD1 4.46Å; A660-F662 HydrophobicContact CB-CE1 4.26Å; A660-F662 WeakPolarHBondContact O-CD1 3.43Å; A660-F662 PolarHBondContact O-N 3.4Å; F662-Y664 HydrophobicContact CE2-CE1 4.02Å; F662-Y664 HydrophobicContact CE2-CE2 4.04Å; F662-Y664 AromaticContact CE2-CZ 3.58Å; F662-Y664 WeakPolarHBondContact CE2-OH 3.42Å; F662-I680 HydrophobicContact CE2-CG2 4.26Å; F662-I680 HydrophobicContact CZ-CG2 4.48Å; F662-L684 HydrophobicContact CD1-CD1 4.34Å; F662-L684 HydrophobicContact CD2-CD1 4.41Å; F662-L684 HydrophobicContact CE1-CB 3.73Å; F662-L684 HydrophobicContact CE1-CD1 3.81Å; F662-L684 HydrophobicContact CE1-CG 4.42Å; F662-L684 HydrophobicContact CE2-CD1 3.86Å; F662-L684 HydrophobicContact CZ-CB 3.83Å; F662-L684 HydrophobicContact CZ-CD1 3.55Å; F662-L684 HydrophobicContact CZ-CG 4.28Å
663	M	84.5	Confident	83.8	Confident	104 Å²	104	60 Å²	60	51%	0.512	33%	0.333	S	S	.	.			trans	-128.7	160.1	-173.2	59.9	172.5	75	0	0	113.4	Y638 P665	Y638-M663 PolarHBondContact OH-O 3.44Å; M663-P665 VanDerWaalsContact O-CD 3.28Å; M663-P665 WeakPolarHBondContact O-CD 3.35Å
664	Y	89	Confident	85.2	Confident	69 Å²	69	64.5 Å²	64.5	27%	0.271	36%	0.362	S	S	.	.			trans	-113.2	79.7	175.8	-60.2	-69.5	0	0	0	109.6	Y638 F662 W669 V677 I680	Y638-Y664 HydrophobicContact CD2-CD1 4.33Å; Y638-Y664 AromaticContact CD2-CE1 3.94Å; Y638-Y664 HydrophobicContact CD2-CE1 3.94Å; Y638-Y664 AromaticContact CE2-CD1 3.82Å; Y638-Y664 HydrophobicContact CE2-CD1 3.82Å; Y638-Y664 AromaticContact CE2-CE1 3.87Å; Y638-Y664 HydrophobicContact CE2-CE1 3.87Å; F662-Y664 HydrophobicContact CE2-CE1 4.02Å; F662-Y664 HydrophobicContact CE2-CE2 4.04Å; F662-Y664 AromaticContact CE2-CZ 3.58Å; F662-Y664 WeakPolarHBondContact CE2-OH 3.42Å; Y664-W669 AromaticContact CD1-CD2 3.53Å; Y664-W669 HydrophobicContact CD1-CD2 3.53Å; Y664-W669 AromaticContact CD1-CE2 3.68Å; Y664-W669 AromaticContact CD1-CE3 3.56Å; Y664-W669 HydrophobicContact CD1-CE3 3.56Å; Y664-W669 HydrophobicContact CD1-CG 4.13Å; Y664-W669 AromaticContact CD1-CH2 3.99Å; Y664-W669 HydrophobicContact CD1-CH2 3.99Å; Y664-W669 AromaticContact CD1-CZ2 3.93Å; Y664-W669 HydrophobicContact CD1-CZ2 3.93Å; Y664-W669 AromaticContact CD1-CZ3 3.8Å; Y664-W669 HydrophobicContact CD1-CZ3 3.8Å; Y664-W669 HydrophobicContact CE1-CD2 4.39Å; Y664-W669 HydrophobicContact CE1-CE3 4.07Å; Y664-W669 AromaticContact CE1-CH2 3.93Å; Y664-W669 HydrophobicContact CE1-CH2 3.93Å; Y664-W669 HydrophobicContact CE1-CZ2 4.22Å; Y664-W669 AromaticContact CE1-CZ3 3.83Å; Y664-W669 HydrophobicContact CE1-CZ3 3.83Å; Y664-W669 HydrophobicContact CG-CD2 4.27Å; Y664-W669 HydrophobicContact CG-CE3 4.41Å; Y664-W669 HydrophobicContact CG-CG 4.46Å; Y664-V677 HydrophobicContact CD2-CG1 3.97Å; Y664-V677 HydrophobicContact CE1-CG1 4.43Å; Y664-V677 HydrophobicContact CE1-CG2 4.5Å; Y664-V677 HydrophobicContact CE2-CG1 3.59Å; Y664-V677 PolarHBondContact OH-O 2.75Å; Y664-V677 VanDerWaalsContact OH-O 3.13Å; Y664-I680 HydrophobicContact CE1-CD1 4.4Å; Y664-I680 HydrophobicContact CE1-CG2 4.34Å; Y664-I680 WeakPolarHBondContact OH-CB 3.24Å; Y664-I680 WeakPolarHBondContact OH-CG2 3.34Å
665	P	82.5	Confident	86.4	Confident	41 Å²	41	66.7 Å²	66.7	27%	0.266	37%	0.365	S	S	.	.			trans	-63.9	144	-177.6	22.4	-30.3	0	0	0	111.9	L260 M663 N667 W669	L260-P665 HydrophobicContact CD1-CG 3.5Å; L260-P665 VanDerWaalsContact CD1-CG 3.5Å; L260-P665 HydrophobicContact CG-CG 4.36Å; M663-P665 VanDerWaalsContact O-CD 3.28Å; M663-P665 WeakPolarHBondContact O-CD 3.35Å; P665-N667 CarbonylContact O-C 3.58Å; P665-N667 PolarHBondContact O-N 3.23Å; P665-W669 WeakPolarHBondContact O-CB 3.43Å; P665-W669 PolarHBondContact O-N 3.31Å
666	S	82.7	Confident	87.4	Confident	96 Å²	96	62.5 Å²	62.5	67%	0.671	34%	0.343	S	S	*	.	H	α-helix	trans	-52	-26.4	-167.6	-47.2	0	0	0	0	115.3	W669 S670	S666-W669 PolarHBondContact O-N 2.91Å; S666-S670 WeakPolarHBondContact O-CB 3.41Å; S666-S670 PolarHBondContact O-N 2.93Å; S666-S670 PolarHBondContact O-OG 3.04Å
667	N	82.1	Confident	88.4	Confident	128 Å²	128	62.8 Å²	62.8	68%	0.684	35%	0.347	S	S	*	.	H	α-helix	trans	-112.4	122	167.7	-178.2	12.5	0	0	0	109.4	P665	P665-N667 CarbonylContact O-C 3.58Å; P665-N667 PolarHBondContact O-N 3.23Å
668	P	86.6	Confident	89.4	Confident	11 Å²	11	65.9 Å²	65.9	7%	0.071	36%	0.364	C	S	.	.	H	α-helix	cis	-90.5	3.8	1.5	35	-33.3	0	0	0	114.7	S670 E671 I672	P668-S670 VanDerWaalsContact C-N 3.25Å; P668-S670 PolarHBondContact O-N 3.25Å; P668-S670 VanDerWaalsContact O-N 3.12Å; P668-E671 WeakPolarHBondContact O-CB 3.4Å; P668-E671 PolarHBondContact O-N 3.28Å; P668-I672 HydrophobicContact CB-CD1 4.44Å; P668-I672 HydrophobicContact CG-CD1 4.13Å
669	W	93.5	Very high	90.3	Very high	14 Å²	14	63.3 Å²	63.3	5%	0.053	35%	0.352	C	S	.	.	H	α-helix	trans	-68.9	-13.8	-165.5	-64.6	97	0	0	0	115.8	Y638 L641 Y664 P665 S666 E671 I672 V677 I680	Y638-W669 HydrophobicContact CD1-CZ2 4.08Å; Y638-W669 AromaticContact CD2-CH2 3.78Å; Y638-W669 HydrophobicContact CD2-CH2 3.78Å; Y638-W669 AromaticContact CD2-CZ2 3.4Å; Y638-W669 HydrophobicContact CD2-CZ2 3.4Å; Y638-W669 VanDerWaalsContact CD2-CZ2 3.4Å; Y638-W669 HydrophobicContact CE1-CZ2 4.04Å; Y638-W669 AromaticContact CE2-CE2 3.88Å; Y638-W669 HydrophobicContact CE2-CH2 4.14Å; Y638-W669 AromaticContact CE2-CZ2 3.38Å; Y638-W669 HydrophobicContact CE2-CZ2 3.38Å; Y638-W669 HydrophobicContact CG-CH2 4.16Å; Y638-W669 AromaticContact CG-CZ2 3.76Å; Y638-W669 HydrophobicContact CG-CZ2 3.76Å; Y638-W669 AromaticContact CZ-CZ2 3.7Å; Y638-W669 AromaticContact CZ-NE1 3.83Å; L641-W669 HydrophobicContact CB-CH2 4.28Å; Y664-W669 AromaticContact CD1-CD2 3.53Å; Y664-W669 HydrophobicContact CD1-CD2 3.53Å; Y664-W669 AromaticContact CD1-CE2 3.68Å; Y664-W669 AromaticContact CD1-CE3 3.56Å; Y664-W669 HydrophobicContact CD1-CE3 3.56Å; Y664-W669 HydrophobicContact CD1-CG 4.13Å; Y664-W669 AromaticContact CD1-CH2 3.99Å; Y664-W669 HydrophobicContact CD1-CH2 3.99Å; Y664-W669 AromaticContact CD1-CZ2 3.93Å; Y664-W669 HydrophobicContact CD1-CZ2 3.93Å; Y664-W669 AromaticContact CD1-CZ3 3.8Å; Y664-W669 HydrophobicContact CD1-CZ3 3.8Å; Y664-W669 HydrophobicContact CE1-CD2 4.39Å; Y664-W669 HydrophobicContact CE1-CE3 4.07Å; Y664-W669 AromaticContact CE1-CH2 3.93Å; Y664-W669 HydrophobicContact CE1-CH2 3.93Å; Y664-W669 HydrophobicContact CE1-CZ2 4.22Å; Y664-W669 AromaticContact CE1-CZ3 3.83Å; Y664-W669 HydrophobicContact CE1-CZ3 3.83Å; Y664-W669 HydrophobicContact CG-CD2 4.27Å; Y664-W669 HydrophobicContact CG-CE3 4.41Å; Y664-W669 HydrophobicContact CG-CG 4.46Å; P665-W669 WeakPolarHBondContact O-CB 3.43Å; P665-W669 PolarHBondContact O-N 3.31Å; S666-W669 PolarHBondContact O-N 2.91Å; W669-E671 VanDerWaalsContact C-N 3.26Å; W669-E671 PolarHBondContact O-N 3Å; W669-I672 HydrophobicContact CD2-CD1 3.74Å; W669-I672 HydrophobicContact CE3-CB 3.97Å; W669-I672 HydrophobicContact CE3-CD1 3.5Å; W669-I672 VanDerWaalsContact CE3-CD1 3.5Å; W669-I672 HydrophobicContact CE3-CG1 4.32Å; W669-I672 HydrophobicContact CE3-CG2 3.81Å; W669-I672 HydrophobicContact CG-CD1 4.31Å; W669-I672 HydrophobicContact CH2-CD1 4.31Å; W669-I672 HydrophobicContact CZ3-CB 4.44Å; W669-I672 HydrophobicContact CZ3-CD1 3.82Å; W669-I672 HydrophobicContact CZ3-CG2 3.83Å; W669-I672 PolarHBondContact O-N 2.8Å; W669-V677 HydrophobicContact CE3-CG2 3.85Å; W669-V677 HydrophobicContact CZ3-CG2 4.11Å; W669-I680 HydrophobicContact CH2-CD1 3.5Å; W669-I680 HydrophobicContact CZ3-CD1 3.66Å
670	S	92.1	Very high	91.1	Very high	100 Å²	100	57.8 Å²	57.8	70%	0.699	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-15.2	168.9	60.8	0	0	0	0	114.2	S666 P668	S666-S670 WeakPolarHBondContact O-CB 3.41Å; S666-S670 PolarHBondContact O-N 2.93Å; S666-S670 PolarHBondContact O-OG 3.04Å; P668-S670 VanDerWaalsContact C-N 3.25Å; P668-S670 PolarHBondContact O-N 3.25Å; P668-S670 VanDerWaalsContact O-N 3.12Å
671	E	93.3	Very high	91.9	Very high	129 Å²	129	57.6 Å²	57.6	60%	0.603	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-7.6	174	-58.9	176.7	-177.5	0	0	112.9	R540 P668 W669	R540-E671 IonicContact CZ-OE2 2.85Å; R540-E671 IonicContact NH1-OE2 3.23Å; R540-E671 PolarHBondContact NH1-OE2 3.41Å; R540-E671 IonicContact NH2-OE1 3.02Å; R540-E671 IonicContact NH2-OE2 3.78Å; R540-E671 PolarHBondContact NH2-OE2 3.26Å; P668-E671 WeakPolarHBondContact O-CB 3.4Å; P668-E671 PolarHBondContact O-N 3.28Å; W669-E671 VanDerWaalsContact C-N 3.26Å; W669-E671 PolarHBondContact O-N 3Å
672	I	96.1	Very high	92.6	Very high	18 Å²	18	55.8 Å²	55.8	9%	0.092	31%	0.309	C	S	.	.	S	Bend	trans	-98.9	138	-174.1	-65.8	167.9	0	0	0	109.3	L641 P668 W669 A676 V677	L641-I672 HydrophobicContact CB-CD1 3.9Å; L641-I672 HydrophobicContact CD1-CG2 4.22Å; P668-I672 HydrophobicContact CB-CD1 4.44Å; P668-I672 HydrophobicContact CG-CD1 4.13Å; W669-I672 HydrophobicContact CD2-CD1 3.74Å; W669-I672 HydrophobicContact CE3-CB 3.97Å; W669-I672 HydrophobicContact CE3-CD1 3.5Å; W669-I672 VanDerWaalsContact CE3-CD1 3.5Å; W669-I672 HydrophobicContact CE3-CG1 4.32Å; W669-I672 HydrophobicContact CE3-CG2 3.81Å; W669-I672 HydrophobicContact CG-CD1 4.31Å; W669-I672 HydrophobicContact CH2-CD1 4.31Å; W669-I672 HydrophobicContact CZ3-CB 4.44Å; W669-I672 HydrophobicContact CZ3-CD1 3.82Å; W669-I672 HydrophobicContact CZ3-CG2 3.83Å; W669-I672 PolarHBondContact O-N 2.8Å; I672-A676 HydrophobicContact CG2-CB 3.63Å; I672-V677 HydrophobicContact CG2-CG2 4.46Å
673	S	97.4	Very high	93.2	Very high	31 Å²	31	53.9 Å²	53.9	22%	0.217	30%	0.301	C	S	.	.			trans	-62.4	145.8	-176.8	65.6	0	0	0	0	112.9	E543 E675 A676 V677 W702	E543-S673 VanDerWaalsContact CD-OG 3.28Å; E543-S673 WeakPolarHBondContact OE1-CB 3.46Å; E543-S673 PolarHBondContact OE1-N 3.46Å; E543-S673 PolarHBondContact OE1-OG 2.67Å; E543-S673 PolarHBondContact OE2-OG 3.4Å; S673-E675 PolarHBondContact O-N 3.49Å; S673-A676 WeakPolarHBondContact O-CB 3.48Å; S673-A676 PolarHBondContact O-N 3.33Å; S673-A676 VanDerWaalsContact O-N 3.07Å; S673-A676 PolarHBondContact OG-N 3.37Å; S673-V677 PolarHBondContact O-N 2.66Å; S673-W702 PolarHBondContact OG-NE1 3.11Å
674	T	97.2	Very high	93.7	Very high	110 Å²	110	49.1 Å²	49.1	68%	0.675	28%	0.278	S	S	*	.	H	α-helix	trans	-55.8	-32.2	173	32.8	0	0	0	0	112.5	V677 D678	T674-V677 PolarHBondContact O-N 3.16Å; T674-D678 VanDerWaalsContact O-CB 3.23Å; T674-D678 WeakPolarHBondContact O-CB 3.46Å; T674-D678 PolarHBondContact O-N 3.04Å
675	E	98	Very high	94	Very high	84 Å²	84	51.2 Å²	51.2	39%	0.393	29%	0.285	S	S	.	.	H	α-helix	trans	-71.4	-32.7	179.2	-65.6	86.6	154.9	0	0	112.1	S673 L679 W702	S673-E675 PolarHBondContact O-N 3.49Å; E675-L679 WeakPolarHBondContact O-CB 3.45Å; E675-L679 PolarHBondContact O-N 2.8Å; E675-L679 VanDerWaalsContact O-N 3.09Å; E675-W702 HydrophobicContact CB-CB 4.06Å; E675-W702 HydrophobicContact CB-CG 4.37Å
676	A	98.1	Very high	94.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-68.1	-47.5	171.3	0	0	0	0	0	110.8	L641 I672 S673 D678 L679 I680 W702	L641-A676 HydrophobicContact CD1-CB 4.02Å; I672-A676 HydrophobicContact CG2-CB 3.63Å; S673-A676 WeakPolarHBondContact O-CB 3.48Å; S673-A676 PolarHBondContact O-N 3.33Å; S673-A676 VanDerWaalsContact O-N 3.07Å; S673-A676 PolarHBondContact OG-N 3.37Å; A676-D678 VanDerWaalsContact C-N 3.34Å; A676-D678 PolarHBondContact O-N 3.22Å; A676-L679 PolarHBondContact O-N 3.21Å; A676-I680 WeakPolarHBondContact O-CD1 3.44Å; A676-I680 VanDerWaalsContact O-CG1 3.29Å; A676-I680 WeakPolarHBondContact O-CG1 3.01Å; A676-I680 PolarHBondContact O-N 3.39Å; A676-W702 HydrophobicContact CB-CD2 4.37Å; A676-W702 HydrophobicContact CB-CG 4.45Å; A676-W702 HydrophobicContact CB-CZ2 4.03Å; A676-W702 VanDerWaalsContact CB-NE1 3.32Å; A676-W702 VanDerWaalsContact N-CD1 3.32Å
677	V	97.7	Very high	94.9	Very high	41 Å²	41	48.8 Å²	48.8	25%	0.248	27%	0.267	C	S	.	.	H	α-helix	trans	-60.7	-43.2	178.9	169.8	0	0	0	0	111.2	Y664 W669 I672 S673 T674 I680 G681	Y664-V677 HydrophobicContact CD2-CG1 3.97Å; Y664-V677 HydrophobicContact CE1-CG1 4.43Å; Y664-V677 HydrophobicContact CE1-CG2 4.5Å; Y664-V677 HydrophobicContact CE2-CG1 3.59Å; Y664-V677 PolarHBondContact OH-O 2.75Å; Y664-V677 VanDerWaalsContact OH-O 3.13Å; W669-V677 HydrophobicContact CE3-CG2 3.85Å; W669-V677 HydrophobicContact CZ3-CG2 4.11Å; I672-V677 HydrophobicContact CG2-CG2 4.46Å; S673-V677 PolarHBondContact O-N 2.66Å; T674-V677 PolarHBondContact O-N 3.16Å; V677-I680 PolarHBondContact O-N 2.81Å; V677-G681 PolarHBondContact O-N 2.84Å
678	D	97.8	Very high	95.4	Very high	67 Å²	67	43.6 Å²	43.6	36%	0.358	24%	0.239	S	C	.	.	H	α-helix	trans	-63.7	-43.2	175.2	177.9	44	0	0	0	112.1	T674 A676 G681 K682 H700	T674-D678 VanDerWaalsContact O-CB 3.23Å; T674-D678 WeakPolarHBondContact O-CB 3.46Å; T674-D678 PolarHBondContact O-N 3.04Å; A676-D678 VanDerWaalsContact C-N 3.34Å; A676-D678 PolarHBondContact O-N 3.22Å; D678-G681 PolarHBondContact O-N 3.26Å; D678-K682 WeakPolarHBondContact O-CD 3.3Å; D678-K682 VanDerWaalsContact O-CG 3.31Å; D678-K682 WeakPolarHBondContact O-CG 3.44Å; D678-K682 PolarHBondContact O-N 3.14Å; D678-K682 VanDerWaalsContact O-N 3.11Å; D678-K682 WeakPolarHBondContact OD1-CE 3.27Å; D678-K682 IonicContact OD1-NZ 3.67Å; D678-K682 PolarHBondContact OD1-NZ 2.82Å; D678-K682 IonicContact OD2-NZ 2.68Å; D678-K682 PolarHBondContact OD2-NZ 2.99Å; D678-H700 IonicContact OD2-CE1 2.72Å; D678-H700 PolarHBondContact OD2-CE1 2.88Å; D678-H700 IonicContact OD2-NE2 2.69Å; D678-H700 PolarHBondContact OD2-NE2 2.87Å
679	L	98.3	Very high	95.7	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61.3	-48.1	175.1	-179.8	60.2	0	0	0	111.9	I637 E675 A676 G681 K682 L683 L692 H700 W702	I637-L679 HydrophobicContact CD1-CD2 4.11Å; E675-L679 WeakPolarHBondContact O-CB 3.45Å; E675-L679 PolarHBondContact O-N 2.8Å; E675-L679 VanDerWaalsContact O-N 3.09Å; A676-L679 PolarHBondContact O-N 3.21Å; L679-G681 VanDerWaalsContact C-N 3.34Å; L679-G681 PolarHBondContact O-N 2.84Å; L679-K682 PolarHBondContact O-N 3.46Å; L679-L683 HydrophobicContact CD1-CD1 4.07Å; L679-L683 HydrophobicContact CD1-CG 4.26Å; L679-L683 HydrophobicContact CG-CD1 3.91Å; L679-L683 WeakPolarHBondContact O-CG 3.38Å; L679-L683 PolarHBondContact O-N 3.46Å; L679-L692 HydrophobicContact CD1-CD1 3.62Å; L679-H700 HydrophobicContact CD1-CB 3.96Å; L679-W702 HydrophobicContact CD2-CB 4.45Å; L679-W702 HydrophobicContact CD2-CD2 4.16Å; L679-W702 HydrophobicContact CD2-CE3 3.34Å; L679-W702 HydrophobicContact CD2-CZ3 3.91Å
680	I	98.1	Very high	95.8	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-60.7	-44.8	178.7	-64.1	159	0	0	0	110.3	I637 Y638 L641 F662 Y664 W669 A676 V677 K682 L683 L684	I637-I680 HydrophobicContact CB-CG1 4.13Å; I637-I680 HydrophobicContact CG2-CD1 3.88Å; I637-I680 HydrophobicContact CG2-CG1 3.68Å; Y638-I680 HydrophobicContact CD2-CG2 4.38Å; L641-I680 HydrophobicContact CD1-CD1 4.38Å; F662-I680 HydrophobicContact CE2-CG2 4.26Å; F662-I680 HydrophobicContact CZ-CG2 4.48Å; Y664-I680 HydrophobicContact CE1-CD1 4.4Å; Y664-I680 HydrophobicContact CE1-CG2 4.34Å; Y664-I680 WeakPolarHBondContact OH-CB 3.24Å; Y664-I680 WeakPolarHBondContact OH-CG2 3.34Å; W669-I680 HydrophobicContact CH2-CD1 3.5Å; W669-I680 HydrophobicContact CZ3-CD1 3.66Å; A676-I680 WeakPolarHBondContact O-CD1 3.44Å; A676-I680 VanDerWaalsContact O-CG1 3.29Å; A676-I680 WeakPolarHBondContact O-CG1 3.01Å; A676-I680 PolarHBondContact O-N 3.39Å; V677-I680 PolarHBondContact O-N 2.81Å; I680-K682 PolarHBondContact O-N 2.85Å; I680-L683 PolarHBondContact O-N 3.05Å; I680-L683 VanDerWaalsContact O-N 3.11Å; I680-L684 HydrophobicContact CG2-CD1 3.65Å; I680-L684 HydrophobicContact CG2-CG 4.14Å; I680-L684 WeakPolarHBondContact O-CB 3.45Å; I680-L684 PolarHBondContact O-N 3.38Å
681	G	96.6	Very high	96	Very high	21 Å²	21	50 Å²	50	22%	0.216	26%	0.258	C	S	.	.	H	α-helix	trans	-64.9	-18.7	178.1	0	0	0	0	0	115	V677 D678 L679 R685	V677-G681 PolarHBondContact O-N 2.84Å; D678-G681 PolarHBondContact O-N 3.26Å; L679-G681 VanDerWaalsContact C-N 3.34Å; L679-G681 PolarHBondContact O-N 2.84Å; G681-R685 PolarHBondContact O-NE 3.37Å
682	K	97.5	Very high	96.2	Very high	68 Å²	68	44.8 Å²	44.8	30%	0.296	23%	0.234	S	C	.	.	H	α-helix	trans	-92.4	-25.4	172.4	-69.5	166.4	174.4	158.2	0	113.2	D678 L679 I680 R685 L692 H700	D678-K682 WeakPolarHBondContact O-CD 3.3Å; D678-K682 VanDerWaalsContact O-CG 3.31Å; D678-K682 WeakPolarHBondContact O-CG 3.44Å; D678-K682 PolarHBondContact O-N 3.14Å; D678-K682 VanDerWaalsContact O-N 3.11Å; D678-K682 WeakPolarHBondContact OD1-CE 3.27Å; D678-K682 IonicContact OD1-NZ 3.67Å; D678-K682 PolarHBondContact OD1-NZ 2.82Å; D678-K682 IonicContact OD2-NZ 2.68Å; D678-K682 PolarHBondContact OD2-NZ 2.99Å; L679-K682 PolarHBondContact O-N 3.46Å; I680-K682 PolarHBondContact O-N 2.85Å; K682-R685 WeakPolarHBondContact O-CG 3.25Å; K682-L692 HydrophobicContact CB-CD1 3.43Å; K682-L692 VanDerWaalsContact CB-CD1 3.43Å; K682-L692 HydrophobicContact CB-CD2 4.41Å; K682-L692 HydrophobicContact CB-CG 3.73Å; K682-L692 HydrophobicContact CD-CD1 4.18Å; K682-L692 HydrophobicContact CG-CD1 4.45Å; K682-L692 PolarHBondContact O-N 2.93Å; K682-H700 PolarHBondContact NZ-NE2 2.73Å
683	L	98	Very high	96.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-80.4	-34.2	173	-70.7	169.5	0	0	0	112.7	M630 I637 L679 I680 R685 R691 L692	M630-L683 HydrophobicContact CB-CD2 4.2Å; M630-L683 HydrophobicContact CE-CD2 3.67Å; I637-L683 HydrophobicContact CD1-CD1 3.55Å; L679-L683 HydrophobicContact CD1-CD1 4.07Å; L679-L683 HydrophobicContact CD1-CG 4.26Å; L679-L683 HydrophobicContact CG-CD1 3.91Å; L679-L683 WeakPolarHBondContact O-CG 3.38Å; L679-L683 PolarHBondContact O-N 3.46Å; I680-L683 PolarHBondContact O-N 3.05Å; I680-L683 VanDerWaalsContact O-N 3.11Å; L683-R685 PolarHBondContact O-N 3.19Å; L683-R691 VanDerWaalsContact O-CD 3.31Å; L683-R691 WeakPolarHBondContact O-CD 3.23Å; L683-R691 WeakPolarHBondContact O-CG 3.43Å; L683-L692 HydrophobicContact CD2-CB 4.09Å; L683-L692 HydrophobicContact CD2-CD1 4.31Å; L683-L692 HydrophobicContact CG-CD1 4.3Å
684	L	96.2	Very high	96.1	Very high	3 Å²	3	44 Å²	44	2%	0.016	23%	0.228	C	C	.	.	S	Bend	trans	-89.7	36.2	178.5	-61	-177.1	0	0	0	112.9	W631 V635 A660 F662 I680	W631-L684 HydrophobicContact CD2-CD2 3.84Å; W631-L684 HydrophobicContact CE3-CB 4.48Å; W631-L684 HydrophobicContact CE3-CD2 4.15Å; W631-L684 HydrophobicContact CG-CD2 4.21Å; W631-L684 HydrophobicContact CZ2-CD2 4.29Å; W631-L684 VanDerWaalsContact CZ3-C 3.43Å; W631-L684 HydrophobicContact CZ3-CB 4.27Å; W631-L684 WeakPolarHBondContact CZ3-O 3.35Å; W631-L684 WeakPolarHBondContact O-CD2 3.46Å; V635-L684 HydrophobicContact CG2-CD2 3.81Å; A660-L684 WeakPolarHBondContact CB-O 3.22Å; F662-L684 HydrophobicContact CD1-CD1 4.34Å; F662-L684 HydrophobicContact CD2-CD1 4.41Å; F662-L684 HydrophobicContact CE1-CB 3.73Å; F662-L684 HydrophobicContact CE1-CD1 3.81Å; F662-L684 HydrophobicContact CE1-CG 4.42Å; F662-L684 HydrophobicContact CE2-CD1 3.86Å; F662-L684 HydrophobicContact CZ-CB 3.83Å; F662-L684 HydrophobicContact CZ-CD1 3.55Å; F662-L684 HydrophobicContact CZ-CG 4.28Å; I680-L684 HydrophobicContact CG2-CD1 3.65Å; I680-L684 HydrophobicContact CG2-CG 4.14Å; I680-L684 WeakPolarHBondContact O-CB 3.45Å; I680-L684 PolarHBondContact O-N 3.38Å
685	R	95.2	Very high	96.1	Very high	113 Å²	113	44.1 Å²	44.1	43%	0.426	22%	0.221	S	C	.	.			trans	-79.2	128.2	172.5	-71	-76.3	160.5	163.2	-3.4	110.6	G681 K682 L683 E690 R691	G681-R685 PolarHBondContact O-NE 3.37Å; K682-R685 WeakPolarHBondContact O-CG 3.25Å; L683-R685 PolarHBondContact O-N 3.19Å; R685-E690 HydrophobicContact CB-CB 4.23Å; R685-E690 HydrophobicContact CG-CB 4.28Å; R685-E690 IonicContact NH1-OE2 3.18Å; R685-R691 HydrophobicContact CB-CB 4.13Å; R685-R691 HydrophobicContact CB-CG 4.44Å; R685-R691 PolarHBondContact O-NE 3.47Å; R685-R691 PolarHBondContact O-NH2 2.92Å
686	V	92.2	Very high	96	Very high	50 Å²	50	44.9 Å²	44.9	30%	0.303	23%	0.225	S	C	.	.	S	Bend	trans	-63.6	-46	176.7	-177	0	0	0	0	110.7	P616 Q658 A660 I688 R691	P616-V686 HydrophobicContact CB-CG1 4.25Å; P616-V686 HydrophobicContact CG-CB 4.41Å; P616-V686 HydrophobicContact CG-CG1 3.97Å; Q658-V686 WeakPolarHBondContact O-CG1 3.26Å; Q658-V686 WeakPolarHBondContact O-CG2 3.07Å; A660-V686 HydrophobicContact CB-CG2 3.49Å; A660-V686 VanDerWaalsContact CB-CG2 3.49Å; V686-I688 PolarHBondContact O-N 3.45Å; V686-R691 PolarHBondContact O-NH2 3.28Å
687	S	91.7	Very high	96	Very high	37 Å²	37	44.9 Å²	44.9	26%	0.259	23%	0.225	S	C	.	.	S	Bend	trans	-62.7	123.6	171.6	172.1	0	0	0	0	109.6	E689 E690 R691	S687-E689 PolarHBondContact O-N 3.41Å; S687-E689 PolarHBondContact OG-OE2 3.01Å; S687-E690 PolarHBondContact OG-N 3.3Å; S687-R691 PolarHBondContact O-N 3.49Å
688	I	92.8	Very high	96	Very high	18 Å²	18	44.5 Å²	44.5	9%	0.092	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-38	-179.9	-64.5	177	0	0	0	109.2	E617 R627 V686 R691	E617-I688 HydrophobicContact CB-CD1 3.89Å; E617-I688 HydrophobicContact CB-CG1 4.42Å; E617-I688 HydrophobicContact CG-CD1 3.72Å; E617-I688 HydrophobicContact CG-CG1 4.23Å; R627-I688 HydrophobicContact CB-CG2 4.09Å; R627-I688 VanDerWaalsContact CD-O 3.3Å; R627-I688 WeakPolarHBondContact CD-O 3.41Å; R627-I688 HydrophobicContact CG-CG2 4.42Å; R627-I688 PolarHBondContact NH1-O 2.94Å; V686-I688 PolarHBondContact O-N 3.45Å; I688-R691 WeakPolarHBondContact O-CB 3.04Å; I688-R691 PolarHBondContact O-N 2.94Å
689	E	92	Very high	95.9	Very high	138 Å²	138	44.4 Å²	44.4	65%	0.645	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-39.7	-176.3	-65.4	70.2	-157.7	0	0	111.9	R627 S687 R691	R627-E689 PolarHBondContact NH1-O 3.06Å; S687-E689 PolarHBondContact O-N 3.41Å; S687-E689 PolarHBondContact OG-OE2 3.01Å; E689-R691 VanDerWaalsContact C-N 3.35Å
690	E	94.6	Very high	95.9	Very high	121 Å²	121	45.1 Å²	45.1	57%	0.565	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-19.1	175.7	-67.1	174.8	-157.3	0	0	113.6	R685 S687	R685-E690 HydrophobicContact CB-CB 4.23Å; R685-E690 HydrophobicContact CG-CB 4.28Å; R685-E690 IonicContact NH1-OE2 3.18Å; S687-E690 PolarHBondContact OG-N 3.3Å
691	R	96.8	Very high	95.8	Very high	1 Å²	1	48.4 Å²	48.4	0%	0.004	26%	0.256	C	S	.	.	S	Bend	trans	-70.5	134.6	179.8	-160.5	-178.7	-57.1	153.3	2.3	110.8	E617 R627 L683 R685 V686 S687 I688 E689	E617-R691 IonicContact OE1-CZ 2.7Å; E617-R691 IonicContact OE1-NH1 3.29Å; E617-R691 PolarHBondContact OE1-NH1 3.1Å; E617-R691 IonicContact OE1-NH2 2.71Å; E617-R691 PolarHBondContact OE1-NH2 3.44Å; E617-R691 IonicContact OE2-CZ 3.04Å; E617-R691 IonicContact OE2-NH1 3.71Å; E617-R691 IonicContact OE2-NH2 3.9Å; E617-R691 PolarHBondContact OE2-NH2 3.37Å; R627-R691 PolarHBondContact NH1-O 3.11Å; R627-R691 PolarHBondContact O-NH1 2.9Å; L683-R691 VanDerWaalsContact O-CD 3.31Å; L683-R691 WeakPolarHBondContact O-CD 3.23Å; L683-R691 WeakPolarHBondContact O-CG 3.43Å; R685-R691 HydrophobicContact CB-CB 4.13Å; R685-R691 HydrophobicContact CB-CG 4.44Å; R685-R691 PolarHBondContact O-NE 3.47Å; R685-R691 PolarHBondContact O-NH2 2.92Å; V686-R691 PolarHBondContact O-NH2 3.28Å; S687-R691 PolarHBondContact O-N 3.49Å; I688-R691 WeakPolarHBondContact O-CB 3.04Å; I688-R691 PolarHBondContact O-N 2.94Å; E689-R691 VanDerWaalsContact C-N 3.35Å
692	L	97	Very high	95.8	Very high	19 Å²	19	47.5 Å²	47.5	10%	0.099	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-55.5	139.2	179.5	-68.6	168.8	0	0	0	112.6	L679 K682 L683 Q696 C697	L679-L692 HydrophobicContact CD1-CD1 3.62Å; K682-L692 HydrophobicContact CB-CD1 3.43Å; K682-L692 VanDerWaalsContact CB-CD1 3.43Å; K682-L692 HydrophobicContact CB-CD2 4.41Å; K682-L692 HydrophobicContact CB-CG 3.73Å; K682-L692 HydrophobicContact CD-CD1 4.18Å; K682-L692 HydrophobicContact CG-CD1 4.45Å; K682-L692 PolarHBondContact O-N 2.93Å; L683-L692 HydrophobicContact CD2-CB 4.09Å; L683-L692 HydrophobicContact CD2-CD1 4.31Å; L683-L692 HydrophobicContact CG-CD1 4.3Å; L692-Q696 HydrophobicContact CB-CB 4.41Å; L692-Q696 HydrophobicContact CD2-CB 3.6Å; L692-C697 HydrophobicContact CB-CB 4.48Å
693	T	96.3	Very high	95.8	Very high	27 Å²	27	44.9 Å²	44.9	17%	0.166	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-76.3	172.4	161.9	72.4	0	0	0	0	111.4	E695 Q696 C697	T693-E695 VanDerWaalsContact C-N 3.32Å; T693-E695 WeakPolarHBondContact CB-OE2 3.42Å; T693-E695 PolarHBondContact O-N 2.94Å; T693-E695 PolarHBondContact OG1-OE2 2.98Å; T693-Q696 PolarHBondContact O-N 3.23Å; T693-Q696 WeakPolarHBondContact OG1-CG 3.35Å; T693-Q696 PolarHBondContact OG1-N 2.86Å; T693-Q696 PolarHBondContact OG1-OE1 3.35Å; T693-C697 VanDerWaalsContact O-CB 3.23Å; T693-C697 WeakPolarHBondContact O-CB 3.48Å; T693-C697 PolarHBondContact O-N 3.33Å
694	I	97	Very high	95.5	Very high	5 Å²	5	51.3 Å²	51.3	3%	0.026	27%	0.265	C	S	.	.	H	α-helix	trans	-61.5	-43.2	177	-67.4	175.8	0	0	0	110.7	L554 L557 E558 H561 M630 C697 L698	L554-I694 HydrophobicContact CD2-CG2 4.22Å; L557-I694 HydrophobicContact CB-CD1 3.7Å; E558-I694 HydrophobicContact CB-CG2 3.94Å; E558-I694 HydrophobicContact CG-CG2 4.29Å; H561-I694 HydrophobicContact CB-CD1 4.14Å; H561-I694 WeakPolarHBondContact ND1-CD1 3.27Å; M630-I694 HydrophobicContact CE-CG1 4.17Å; M630-I694 HydrophobicContact SD-CD1 4.4Å; M630-I694 HydrophobicContact SD-CG1 3.45Å; M630-I694 WeakPolarHBondContact SD-CG1 3.41Å; I694-C697 PolarHBondContact O-N 2.98Å; I694-L698 HydrophobicContact CG2-CD1 3.94Å; I694-L698 HydrophobicContact CG2-CG 4.45Å; I694-L698 WeakPolarHBondContact O-CB 3.25Å; I694-L698 WeakPolarHBondContact O-CG 3.13Å; I694-L698 PolarHBondContact O-N 3.37Å
695	E	95.7	Very high	95.1	Very high	114 Å²	114	54 Å²	54	53%	0.533	28%	0.279	S	S	.	.	H	α-helix	trans	-65.4	-44.9	-178.6	-52.5	71.5	-154.5	0	0	110.7	T693 C697 L698 A699	T693-E695 VanDerWaalsContact C-N 3.32Å; T693-E695 WeakPolarHBondContact CB-OE2 3.42Å; T693-E695 PolarHBondContact O-N 2.94Å; T693-E695 PolarHBondContact OG1-OE2 2.98Å; E695-C697 VanDerWaalsContact C-N 3.32Å; E695-C697 PolarHBondContact O-N 3.44Å; E695-L698 PolarHBondContact O-N 2.82Å; E695-A699 VanDerWaalsContact O-CB 3.32Å; E695-A699 WeakPolarHBondContact O-CB 3.4Å; E695-A699 PolarHBondContact O-N 2.59Å
696	Q	97.1	Very high	95	Very high	100 Å²	100	54.2 Å²	54.2	47%	0.467	29%	0.285	S	S	.	.	H	α-helix	trans	-67.8	-32.7	176.5	-63.4	171.1	-35.2	0	0	112.2	L692 T693 H700	L692-Q696 HydrophobicContact CB-CB 4.41Å; L692-Q696 HydrophobicContact CD2-CB 3.6Å; T693-Q696 PolarHBondContact O-N 3.23Å; T693-Q696 WeakPolarHBondContact OG1-CG 3.35Å; T693-Q696 PolarHBondContact OG1-N 2.86Å; T693-Q696 PolarHBondContact OG1-OE1 3.35Å; Q696-H700 PolarHBondContact O-N 3.33Å
697	C	97.8	Very high	95.2	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-70.6	-44	175.1	-172.5	0	0	0	0	111.6	L554 M630 L692 T693 I694 E695 A699 H700 L703	L554-C697 HydrophobicContact CD1-CB 4.48Å; L554-C697 HydrophobicContact CD2-CB 4.02Å; M630-C697 HydrophobicContact CE-CB 3.65Å; L692-C697 HydrophobicContact CB-CB 4.48Å; T693-C697 VanDerWaalsContact O-CB 3.23Å; T693-C697 WeakPolarHBondContact O-CB 3.48Å; T693-C697 PolarHBondContact O-N 3.33Å; I694-C697 PolarHBondContact O-N 2.98Å; E695-C697 VanDerWaalsContact C-N 3.32Å; E695-C697 PolarHBondContact O-N 3.44Å; C697-A699 VanDerWaalsContact C-N 3.31Å; C697-A699 PolarHBondContact O-N 3.26Å; C697-H700 WeakPolarHBondContact O-CB 3.39Å; C697-H700 PolarHBondContact O-N 2.98Å; C697-L703 WeakPolarHBondContact O-CD1 3.26Å
698	L	96.3	Very high	95.5	Very high	32 Å²	32	53 Å²	53	17%	0.168	28%	0.277	C	S	.	.	H	α-helix	trans	-63.2	-36.8	175.2	-77.5	170.9	0	0	0	111.9	V551 L554 E558 I694 E695 H700 H704	V551-L698 HydrophobicContact CG1-CD2 4.44Å; L554-L698 HydrophobicContact CB-CD2 3.8Å; L554-L698 HydrophobicContact CB-CG 4.17Å; L554-L698 HydrophobicContact CD1-CD2 3.81Å; L554-L698 HydrophobicContact CD1-CG 4.17Å; L554-L698 HydrophobicContact CG-CD2 4.4Å; E558-L698 WeakPolarHBondContact OE1-CD1 3.23Å; I694-L698 HydrophobicContact CG2-CD1 3.94Å; I694-L698 HydrophobicContact CG2-CG 4.45Å; I694-L698 WeakPolarHBondContact O-CB 3.25Å; I694-L698 WeakPolarHBondContact O-CG 3.13Å; I694-L698 PolarHBondContact O-N 3.37Å; E695-L698 PolarHBondContact O-N 2.82Å; L698-H700 PolarHBondContact O-N 3.19Å; L698-H704 PolarHBondContact O-NE2 3.03Å
699	A	96.1	Very high	95.6	Very high	66 Å²	66	55.9 Å²	55.9	55%	0.545	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	4	176	0	0	0	0	0	114.6	E695 C697	E695-A699 VanDerWaalsContact O-CB 3.32Å; E695-A699 WeakPolarHBondContact O-CB 3.4Å; E695-A699 PolarHBondContact O-N 2.59Å; C697-A699 VanDerWaalsContact C-N 3.31Å; C697-A699 PolarHBondContact O-N 3.26Å
700	H	98.1	Very high	95.8	Very high	14 Å²	14	52.7 Å²	52.7	7%	0.065	27%	0.274	C	S	.	.	S	Bend	trans	-73.9	139.8	-177.1	-158.2	-98	0	0	0	111.8	D678 L679 K682 Q696 C697 L698 W702 L703 H704	D678-H700 IonicContact OD2-CE1 2.72Å; D678-H700 PolarHBondContact OD2-CE1 2.88Å; D678-H700 IonicContact OD2-NE2 2.69Å; D678-H700 PolarHBondContact OD2-NE2 2.87Å; L679-H700 HydrophobicContact CD1-CB 3.96Å; K682-H700 PolarHBondContact NZ-NE2 2.73Å; Q696-H700 PolarHBondContact O-N 3.33Å; C697-H700 WeakPolarHBondContact O-CB 3.39Å; C697-H700 PolarHBondContact O-N 2.98Å; L698-H700 PolarHBondContact O-N 3.19Å; H700-W702 PolarHBondContact O-N 3Å; H700-L703 PolarHBondContact O-N 2.81Å; H700-H704 PolarHBondContact O-CD2 3.01Å; H700-H704 PolarHBondContact O-N 3.44Å
701	S	96.7	Very high	96	Very high	70 Å²	70	47.7 Å²	47.7	49%	0.49	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-51.4	-36	-179.3	54.5	0	0	0	0	113.4	L703 H704	S701-L703 PolarHBondContact O-N 3.13Å; S701-H704 PolarHBondContact O-N 2.85Å
702	W	97.8	Very high	96	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.008	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-57.9	-33.4	176.5	-168.7	65	0	0	0	114	E543 T546 K547 I637 L641 S673 E675 A676 L679 H700	E543-W702 HydrophobicContact CB-CZ2 4.35Å; E543-W702 HydrophobicContact CG-CZ2 4.21Å; E543-W702 PolarHBondContact OE2-NE1 3.42Å; T546-W702 HydrophobicContact CG2-CH2 3.9Å; K547-W702 HydrophobicContact CD-CD2 4.45Å; K547-W702 VanDerWaalsContact CD-O 3.3Å; K547-W702 WeakPolarHBondContact CD-O 3.32Å; K547-W702 VanDerWaalsContact CE-CE2 3.43Å; K547-W702 WeakPolarHBondContact CE-O 3.48Å; K547-W702 HydrophobicContact CG-CD2 3.96Å; K547-W702 HydrophobicContact CG-CE3 3.98Å; K547-W702 HydrophobicContact CG-CH2 3.79Å; K547-W702 HydrophobicContact CG-CZ2 3.69Å; K547-W702 HydrophobicContact CG-CZ3 3.92Å; K547-W702 PolarHBondContact NZ-O 2.82Å; I637-W702 HydrophobicContact CG2-CH2 3.99Å; I637-W702 HydrophobicContact CG2-CZ3 4.31Å; L641-W702 HydrophobicContact CD1-CH2 4.37Å; L641-W702 HydrophobicContact CD1-CZ2 4.03Å; S673-W702 PolarHBondContact OG-NE1 3.11Å; E675-W702 HydrophobicContact CB-CB 4.06Å; E675-W702 HydrophobicContact CB-CG 4.37Å; A676-W702 HydrophobicContact CB-CD2 4.37Å; A676-W702 HydrophobicContact CB-CG 4.45Å; A676-W702 HydrophobicContact CB-CZ2 4.03Å; A676-W702 VanDerWaalsContact CB-NE1 3.32Å; A676-W702 VanDerWaalsContact N-CD1 3.32Å; L679-W702 HydrophobicContact CD2-CB 4.45Å; L679-W702 HydrophobicContact CD2-CD2 4.16Å; L679-W702 HydrophobicContact CD2-CE3 3.34Å; L679-W702 HydrophobicContact CD2-CZ3 3.91Å; H700-W702 PolarHBondContact O-N 3Å
703	L	96.9	Very high	96	Very high	13 Å²	13	50.8 Å²	50.8	7%	0.068	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-94.9	3.4	177.8	-60.2	-175.6	0	0	0	113.1	K547 I550 V551 L554 C697 H700 S701 L708	K547-L703 HydrophobicContact CB-CD2 4.08Å; K547-L703 HydrophobicContact CG-CD2 4.04Å; I550-L703 HydrophobicContact CG2-CD1 4.5Å; V551-L703 HydrophobicContact CG2-CD1 4.17Å; V551-L703 HydrophobicContact CG2-CD2 4.11Å; L554-L703 HydrophobicContact CD1-CD1 3.57Å; C697-L703 WeakPolarHBondContact O-CD1 3.26Å; H700-L703 PolarHBondContact O-N 2.81Å; S701-L703 PolarHBondContact O-N 3.13Å; L703-L708 HydrophobicContact CB-CD2 4.43Å; L703-L708 HydrophobicContact CD2-CD2 4.4Å; L703-L708 WeakPolarHBondContact O-CD2 3.25Å
704	H	90.9	Very high	96	Very high	135 Å²	135	54.2 Å²	54.2	63%	0.625	28%	0.28	S	S	*	.			trans	-100.4	81.5	175.5	-81.8	-125.1	0	0	0	110.3	L698 H700 S701	L698-H704 PolarHBondContact O-NE2 3.03Å; H700-H704 PolarHBondContact O-CD2 3.01Å; H700-H704 PolarHBondContact O-N 3.44Å; S701-H704 PolarHBondContact O-N 2.85Å
705	D	87.7	Confident	96	Very high	58 Å²	58	54.5 Å²	54.5	31%	0.31	28%	0.281	S	S	.	.			trans	-135.4	140.4	176	163.4	47.6	0	0	0	110.5	T707 L708 Y709	D705-T707 PolarHBondContact OD1-N 2.92Å; D705-T707 VanDerWaalsContact OD1-N 3.1Å; D705-T707 PolarHBondContact OD1-OG1 3.46Å; D705-T707 WeakPolarHBondContact OD2-CB 3.45Å; D705-T707 PolarHBondContact OD2-N 3.44Å; D705-T707 PolarHBondContact OD2-OG1 2.96Å; D705-L708 HydrophobicContact CB-CB 4.11Å; D705-L708 PolarHBondContact O-N 2.64Å; D705-L708 PolarHBondContact OD2-N 2.99Å; D705-Y709 PolarHBondContact O-N 3.27Å; D705-Y709 VanDerWaalsContact O-N 3.16Å
706	Q	93.9	Very high	96	Very high	119 Å²	119	49.2 Å²	49.2	56%	0.556	26%	0.256	S	S	*	.	H	α-helix	trans	-67	-37.7	178.3	-174.8	61.6	49.1	0	0	111.5	L708 Y709 D710	Q706-L708 VanDerWaalsContact C-N 3.31Å; Q706-L708 PolarHBondContact O-N 3.1Å; Q706-Y709 PolarHBondContact O-N 3.24Å; Q706-D710 PolarHBondContact NE2-OD1 3.42Å; Q706-D710 VanDerWaalsContact O-CG 3.29Å; Q706-D710 PolarHBondContact O-N 2.84Å
707	T	96.4	Very high	96	Very high	57 Å²	57	50 Å²	50	35%	0.35	26%	0.263	S	S	.	.	H	α-helix	trans	-62.3	-42.8	179.6	-32.5	0	0	0	0	110.8	D705 D710 D711	D705-T707 PolarHBondContact OD1-N 2.92Å; D705-T707 VanDerWaalsContact OD1-N 3.1Å; D705-T707 PolarHBondContact OD1-OG1 3.46Å; D705-T707 WeakPolarHBondContact OD2-CB 3.45Å; D705-T707 PolarHBondContact OD2-N 3.44Å; D705-T707 PolarHBondContact OD2-OG1 2.96Å; T707-D710 PolarHBondContact O-N 3.36Å; T707-D711 WeakPolarHBondContact O-CB 3.43Å; T707-D711 VanDerWaalsContact O-CG 3.26Å; T707-D711 PolarHBondContact O-N 3.06Å
708	L	97	Very high	95.8	Very high	5 Å²	5	54.4 Å²	54.4	3%	0.026	29%	0.294	C	S	.	.	H	α-helix	trans	-60	-44.8	173.2	176.1	62.7	0	0	0	112.5	K547 F548 V551 L703 D705 Q706 D710 D711 L712	K547-L708 HydrophobicContact CB-CD1 3.87Å; K547-L708 HydrophobicContact CB-CD2 3.91Å; K547-L708 HydrophobicContact CB-CG 4.46Å; K547-L708 HydrophobicContact CD-CD2 4.47Å; F548-L708 VanDerWaalsContact CA-CD1 3.46Å; F548-L708 HydrophobicContact CB-CD1 3.92Å; V551-L708 HydrophobicContact CG2-CD1 4.48Å; V551-L708 HydrophobicContact CG2-CD2 4.07Å; L703-L708 HydrophobicContact CB-CD2 4.43Å; L703-L708 HydrophobicContact CD2-CD2 4.4Å; L703-L708 WeakPolarHBondContact O-CD2 3.25Å; D705-L708 HydrophobicContact CB-CB 4.11Å; D705-L708 PolarHBondContact O-N 2.64Å; D705-L708 PolarHBondContact OD2-N 2.99Å; Q706-L708 VanDerWaalsContact C-N 3.31Å; Q706-L708 PolarHBondContact O-N 3.1Å; L708-D710 VanDerWaalsContact C-N 3.35Å; L708-D710 PolarHBondContact O-N 2.76Å; L708-D711 PolarHBondContact O-N 3.15Å; L708-L712 HydrophobicContact CD1-CD1 3.91Å; L708-L712 HydrophobicContact CD1-CG 4.13Å; L708-L712 HydrophobicContact CG-CD1 3.92Å; L708-L712 WeakPolarHBondContact O-CB 3.49Å; L708-L712 WeakPolarHBondContact O-CD1 3.42Å; L708-L712 WeakPolarHBondContact O-CG 3.35Å; L708-L712 PolarHBondContact O-N 3.48Å
709	Y	96.2	Very high	95.7	Very high	78 Å²	78	55.4 Å²	55.4	31%	0.306	30%	0.299	S	S	.	.	H	α-helix	trans	-59.6	-46	175.5	178	-87.8	0	0	0	111.5	D705 Q706 L712 R713 T725 V728	D705-Y709 PolarHBondContact O-N 3.27Å; D705-Y709 VanDerWaalsContact O-N 3.16Å; Q706-Y709 PolarHBondContact O-N 3.24Å; Y709-L712 PolarHBondContact O-N 2.89Å; Y709-R713 WeakPolarHBondContact O-CB 3.24Å; Y709-R713 PolarHBondContact O-N 3.1Å; Y709-T725 HydrophobicContact CD2-CG2 4.04Å; Y709-T725 HydrophobicContact CE2-CG2 3.86Å; Y709-V728 HydrophobicContact CE2-CG2 4.34Å
710	D	96.5	Very high	95.6	Very high	71 Å²	71	55.5 Å²	55.5	38%	0.38	31%	0.307	S	S	.	.	H	α-helix	trans	-64.9	-42	179.6	-63.8	-18.6	0	0	0	111.5	Q706 T707 L708 R713 N714	Q706-D710 PolarHBondContact NE2-OD1 3.42Å; Q706-D710 VanDerWaalsContact O-CG 3.29Å; Q706-D710 PolarHBondContact O-N 2.84Å; T707-D710 PolarHBondContact O-N 3.36Å; L708-D710 VanDerWaalsContact C-N 3.35Å; L708-D710 PolarHBondContact O-N 2.76Å; D710-R713 PolarHBondContact O-N 3.04Å; D710-N714 WeakPolarHBondContact O-CB 3.32Å; D710-N714 VanDerWaalsContact O-CG 3.23Å; D710-N714 PolarHBondContact O-N 2.82Å; D710-N714 PolarHBondContact O-ND2 2.87Å
711	D	97.4	Very high	95.3	Very high	16 Å²	16	58.2 Å²	58.2	9%	0.086	32%	0.324	C	S	.	.	H	α-helix	trans	-61	-47.1	175.5	-73.6	-25.6	0	0	0	111.7	R544 F548 F584 T707 L708 R713 N714 L715	R544-D711 IonicContact CZ-OD1 3.37Å; R544-D711 IonicContact CZ-OD2 3.49Å; R544-D711 VanDerWaalsContact CZ-OD2 3.29Å; R544-D711 IonicContact NE-OD1 3.91Å; R544-D711 IonicContact NE-OD2 3.62Å; R544-D711 PolarHBondContact NE-OD2 2.86Å; R544-D711 VanDerWaalsContact NH2-CG 3.28Å; R544-D711 IonicContact NH2-OD1 3.38Å; R544-D711 PolarHBondContact NH2-OD1 2.89Å; R544-D711 IonicContact NH2-OD2 2.69Å; R544-D711 PolarHBondContact NH2-OD2 3.23Å; F548-D711 HydrophobicContact CD2-CB 3.78Å; F548-D711 HydrophobicContact CE2-CB 4.17Å; F584-D711 HydrophobicContact CD1-CB 4.15Å; F584-D711 HydrophobicContact CE1-CB 4.26Å; F584-D711 VanDerWaalsContact CE1-OD2 3.23Å; F584-D711 WeakPolarHBondContact CE1-OD2 3.46Å; T707-D711 WeakPolarHBondContact O-CB 3.43Å; T707-D711 VanDerWaalsContact O-CG 3.26Å; T707-D711 PolarHBondContact O-N 3.06Å; L708-D711 PolarHBondContact O-N 3.15Å; D711-R713 VanDerWaalsContact C-N 3.35Å; D711-R713 PolarHBondContact O-N 3.37Å; D711-N714 PolarHBondContact O-N 3.28Å; D711-L715 PolarHBondContact O-N 3.21Å; D711-L715 VanDerWaalsContact O-N 3.09Å
712	L	97.3	Very high	95	Very high	10 Å²	10	59.3 Å²	59.3	5%	0.052	32%	0.321	C	S	.	.	H	α-helix	trans	-62.8	-41.1	176.1	-67.6	165.3	0	0	0	111.3	F548 V551 Q552 L708 Y709 L715 E716 L724 T725	F548-L712 HydrophobicContact CD2-CD2 3.72Å; F548-L712 HydrophobicContact CD2-CG 4.03Å; F548-L712 HydrophobicContact CE2-CD2 3.99Å; F548-L712 HydrophobicContact CE2-CG 4.43Å; F548-L712 HydrophobicContact CG-CD2 4.47Å; V551-L712 HydrophobicContact CB-CD1 4.07Å; V551-L712 HydrophobicContact CB-CD2 4.27Å; V551-L712 HydrophobicContact CG1-CD1 3.7Å; V551-L712 HydrophobicContact CG1-CD2 4.21Å; V551-L712 HydrophobicContact CG2-CD1 4.3Å; Q552-L712 HydrophobicContact CG-CD2 4.19Å; L708-L712 HydrophobicContact CD1-CD1 3.91Å; L708-L712 HydrophobicContact CD1-CG 4.13Å; L708-L712 HydrophobicContact CG-CD1 3.92Å; L708-L712 WeakPolarHBondContact O-CB 3.49Å; L708-L712 WeakPolarHBondContact O-CD1 3.42Å; L708-L712 WeakPolarHBondContact O-CG 3.35Å; L708-L712 PolarHBondContact O-N 3.48Å; Y709-L712 PolarHBondContact O-N 2.89Å; L712-L715 WeakPolarHBondContact O-CB 3.4Å; L712-L715 PolarHBondContact O-N 3.19Å; L712-E716 WeakPolarHBondContact O-CG 3.24Å; L712-E716 PolarHBondContact O-N 2.81Å; L712-E716 VanDerWaalsContact O-N 3.08Å; L712-L724 HydrophobicContact CB-CB 4.49Å; L712-L724 HydrophobicContact CD2-CB 4.45Å; L712-L724 HydrophobicContact CD2-CD1 3.93Å; L712-T725 HydrophobicContact CB-CG2 4.03Å
713	R	96.6	Very high	94.9	Very high	74 Å²	74	60.5 Å²	60.5	28%	0.279	33%	0.326	S	S	.	.	H	α-helix	trans	-66.4	-38.5	178.2	-172.3	54.4	174	177	-3.9	112.3	Y709 D710 D711 L715 E716 L717 T725	Y709-R713 WeakPolarHBondContact O-CB 3.24Å; Y709-R713 PolarHBondContact O-N 3.1Å; D710-R713 PolarHBondContact O-N 3.04Å; D711-R713 VanDerWaalsContact C-N 3.35Å; D711-R713 PolarHBondContact O-N 3.37Å; R713-L715 VanDerWaalsContact C-N 3.33Å; R713-E716 WeakPolarHBondContact CD-OE2 3.23Å; R713-E716 IonicContact CZ-OE2 2.71Å; R713-E716 IonicContact NH1-OE2 3.75Å; R713-E716 PolarHBondContact NH1-OE2 3.3Å; R713-E716 PolarHBondContact O-N 3.18Å; R713-L717 HydrophobicContact CG-CD1 4.34Å; R713-L717 VanDerWaalsContact O-CG 3.31Å; R713-L717 WeakPolarHBondContact O-CG 3.48Å; R713-L717 PolarHBondContact O-N 3.48Å; R713-T725 HydrophobicContact CB-CG2 4.21Å
714	N	96.6	Very high	94.7	Very high	100 Å²	100	60.4 Å²	60.4	54%	0.535	33%	0.326	S	S	.	.	H	α-helix	trans	-63.1	-38.9	174.2	-74.6	-43.6	0	0	0	111.7	D710 D711 L717 S718	D710-N714 WeakPolarHBondContact O-CB 3.32Å; D710-N714 VanDerWaalsContact O-CG 3.23Å; D710-N714 PolarHBondContact O-N 2.82Å; D710-N714 PolarHBondContact O-ND2 2.87Å; D711-N714 PolarHBondContact O-N 3.28Å; N714-L717 PolarHBondContact O-N 3.19Å; N714-S718 WeakPolarHBondContact O-CB 3.32Å; N714-S718 PolarHBondContact O-N 3.17Å
715	L	96.7	Very high	94.7	Very high	10 Å²	10	54.4 Å²	54.4	5%	0.052	30%	0.298	C	S	.	.	H	α-helix	trans	-60.7	-50.9	172.6	178	67.3	0	0	0	111.1	F548 Q586 D711 L712 R713 L717 S718 L719 L724	F548-L715 HydrophobicContact CE2-CB 4.14Å; F548-L715 HydrophobicContact CE2-CD2 4.28Å; F548-L715 HydrophobicContact CZ-CB 4.08Å; F548-L715 HydrophobicContact CZ-CD2 3.75Å; F548-L715 HydrophobicContact CZ-CG 4.35Å; Q586-L715 HydrophobicContact CB-CD1 4.18Å; Q586-L715 HydrophobicContact CB-CD2 4.47Å; D711-L715 PolarHBondContact O-N 3.21Å; D711-L715 VanDerWaalsContact O-N 3.09Å; L712-L715 WeakPolarHBondContact O-CB 3.4Å; L712-L715 PolarHBondContact O-N 3.19Å; R713-L715 VanDerWaalsContact C-N 3.33Å; L715-L717 VanDerWaalsContact C-N 3.33Å; L715-L717 PolarHBondContact O-N 3.39Å; L715-S718 PolarHBondContact O-N 3.19Å; L715-S718 PolarHBondContact O-OG 3.39Å; L715-L719 HydrophobicContact CD1-CD1 3.89Å; L715-L719 HydrophobicContact CD1-CG 4.11Å; L715-L719 HydrophobicContact CD2-CD1 4.36Å; L715-L719 HydrophobicContact CG-CD1 3.81Å; L715-L719 HydrophobicContact CG-CG 4.38Å; L715-L719 WeakPolarHBondContact O-CG 3.36Å; L715-L719 PolarHBondContact O-N 3.28Å; L715-L724 HydrophobicContact CD2-CD1 3.82Å
716	E	96.5	Very high	94.2	Very high	3 Å²	3	58.3 Å²	58.3	1%	0.014	32%	0.319	C	S	.	.	H	α-helix	trans	-56.4	-44	178.3	-68.5	-177.2	144.1	0	0	113.2	L712 R713 S718 L719 G720 V721 Q722 Y723 L724 T725	L712-E716 WeakPolarHBondContact O-CG 3.24Å; L712-E716 PolarHBondContact O-N 2.81Å; L712-E716 VanDerWaalsContact O-N 3.08Å; R713-E716 WeakPolarHBondContact CD-OE2 3.23Å; R713-E716 IonicContact CZ-OE2 2.71Å; R713-E716 IonicContact NH1-OE2 3.75Å; R713-E716 PolarHBondContact NH1-OE2 3.3Å; R713-E716 PolarHBondContact O-N 3.18Å; E716-S718 VanDerWaalsContact C-N 3.31Å; E716-S718 PolarHBondContact O-N 2.9Å; E716-L719 PolarHBondContact O-N 3.49Å; E716-G720 PolarHBondContact O-N 2.94Å; E716-V721 WeakPolarHBondContact CA-O 3.44Å; E716-V721 WeakPolarHBondContact CB-O 3.37Å; E716-V721 PolarHBondContact O-N 2.86Å; E716-Q722 WeakPolarHBondContact OE1-CA 3.33Å; E716-Y723 PolarHBondContact OE1-N 3.48Å; E716-L724 HydrophobicContact CG-CB 4.37Å; E716-L724 HydrophobicContact CG-CD1 4.42Å; E716-L724 WeakPolarHBondContact OE1-CA 3.06Å; E716-L724 PolarHBondContact OE1-N 2.87Å; E716-T725 PolarHBondContact OE1-N 3.18Å; E716-T725 PolarHBondContact OE2-OG1 2.79Å
717	L	95.8	Very high	92	Very high	117 Å²	117	56.1 Å²	56.1	61%	0.613	32%	0.321	S	S	*	.	H	α-helix	trans	-62.5	-38	176.2	-71.2	170.7	0	0	0	111.9	R713 N714 L715 L719	R713-L717 HydrophobicContact CG-CD1 4.34Å; R713-L717 VanDerWaalsContact O-CG 3.31Å; R713-L717 WeakPolarHBondContact O-CG 3.48Å; R713-L717 PolarHBondContact O-N 3.48Å; N714-L717 PolarHBondContact O-N 3.19Å; L715-L717 VanDerWaalsContact C-N 3.33Å; L715-L717 PolarHBondContact O-N 3.39Å; L717-L719 VanDerWaalsContact C-N 3.35Å
718	S	94.3	Very high	89.5	Confident	92 Å²	92	57.9 Å²	57.9	64%	0.643	33%	0.331	S	S	*	.	H	α-helix	trans	-70.6	-29.6	176.8	78.6	0	0	0	0	113.3	N714 L715 E716	N714-S718 WeakPolarHBondContact O-CB 3.32Å; N714-S718 PolarHBondContact O-N 3.17Å; L715-S718 PolarHBondContact O-N 3.19Å; L715-S718 PolarHBondContact O-OG 3.39Å; E716-S718 VanDerWaalsContact C-N 3.31Å; E716-S718 PolarHBondContact O-N 2.9Å
719	L	93.8	Very high	86.4	Confident	53 Å²	53	63.7 Å²	63.7	28%	0.277	36%	0.362	S	S	.	.	H	α-helix	trans	-88.7	-18.5	178.9	-65.1	174.8	0	0	0	113.4	Q586 L715 E716 L717 V721 Y723	Q586-L719 HydrophobicContact CB-CD1 4.17Å; Q586-L719 HydrophobicContact CB-CD2 4.49Å; Q586-L719 HydrophobicContact CG-CD1 3.91Å; L715-L719 HydrophobicContact CD1-CD1 3.89Å; L715-L719 HydrophobicContact CD1-CG 4.11Å; L715-L719 HydrophobicContact CD2-CD1 4.36Å; L715-L719 HydrophobicContact CG-CD1 3.81Å; L715-L719 HydrophobicContact CG-CG 4.38Å; L715-L719 WeakPolarHBondContact O-CG 3.36Å; L715-L719 PolarHBondContact O-N 3.28Å; E716-L719 PolarHBondContact O-N 3.49Å; L717-L719 VanDerWaalsContact C-N 3.35Å; L719-V721 VanDerWaalsContact C-N 3.29Å; L719-Y723 HydrophobicContact CD1-CE1 4.1Å
720	G	94	Very high	83.4	Confident	69 Å²	69	65.4 Å²	65.4	71%	0.711	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.3	19.9	-173.3	0	0	0	0	0	114.2	E716	E716-G720 PolarHBondContact O-N 2.94Å
721	V	91.2	Very high	80.2	Confident	70 Å²	70	65.7 Å²	65.7	42%	0.424	39%	0.394	S	S	.	.			trans	-139.8	127.2	-176.7	-178.2	0	0	0	0	110	P503 E716 L719 Y723	P503-V721 HydrophobicContact CG-CG1 4.2Å; E716-V721 WeakPolarHBondContact CA-O 3.44Å; E716-V721 WeakPolarHBondContact CB-O 3.37Å; E716-V721 PolarHBondContact O-N 2.86Å; L719-V721 VanDerWaalsContact C-N 3.29Å; V721-Y723 HydrophobicContact CG1-CD1 4.21Å
722	Q	92.4	Very high	77.1	Confident	93 Å²	93	70 Å²	70	44%	0.435	42%	0.424	S	S	.	.			trans	-95.5	122.6	173.7	179.5	164.9	-1.6	0	0	110.1	E716 T725	E716-Q722 WeakPolarHBondContact OE1-CA 3.33Å; Q722-T725 WeakPolarHBondContact CG-O 3.46Å; Q722-T725 PolarHBondContact NE2-O 2.81Å
723	Y	93.9	Very high	73.9	Confident	27 Å²	27	74.9 Å²	74.9	11%	0.106	46%	0.46	C	S	.	.	S	Bend	trans	-158	-7.6	-177.6	74.5	-80.7	0	0	0	114.8	Y502 P503 E716 L719 V721	Y502-Y723 HydrophobicContact CE1-CD2 4.09Å; Y502-Y723 HydrophobicContact CE1-CE2 4.47Å; Y502-Y723 AromaticContact CZ-CD2 3.94Å; Y502-Y723 PolarHBondContact OH-O 3.03Å; P503-Y723 HydrophobicContact CB-CD1 3.84Å; P503-Y723 HydrophobicContact CB-CD2 3.86Å; P503-Y723 HydrophobicContact CB-CE1 3.81Å; P503-Y723 HydrophobicContact CB-CE2 3.83Å; P503-Y723 HydrophobicContact CB-CG 3.86Å; P503-Y723 HydrophobicContact CG-CD1 4.13Å; P503-Y723 HydrophobicContact CG-CD2 4.2Å; P503-Y723 HydrophobicContact CG-CG 3.91Å; E716-Y723 PolarHBondContact OE1-N 3.48Å; L719-Y723 HydrophobicContact CD1-CE1 4.1Å; V721-Y723 HydrophobicContact CG1-CD1 4.21Å
724	L	94.2	Very high	70.6	Confident	12 Å²	12	76 Å²	76	6%	0.063	48%	0.479	C	S	.	.	S	Bend	trans	-108.9	-48.6	-178.2	-61.8	169.8	0	0	0	110.4	Q552 K555 L712 L715 E716	Q552-L724 HydrophobicContact CB-CD2 4.2Å; Q552-L724 HydrophobicContact CG-CD1 3.81Å; Q552-L724 HydrophobicContact CG-CD2 3.77Å; Q552-L724 HydrophobicContact CG-CG 4.46Å; K555-L724 HydrophobicContact CB-CD2 4.05Å; K555-L724 HydrophobicContact CG-CD2 4.09Å; L712-L724 HydrophobicContact CB-CB 4.49Å; L712-L724 HydrophobicContact CD2-CB 4.45Å; L712-L724 HydrophobicContact CD2-CD1 3.93Å; L715-L724 HydrophobicContact CD2-CD1 3.82Å; E716-L724 HydrophobicContact CG-CB 4.37Å; E716-L724 HydrophobicContact CG-CD1 4.42Å; E716-L724 WeakPolarHBondContact OE1-CA 3.06Å; E716-L724 PolarHBondContact OE1-N 2.87Å
725	T	91.1	Very high	67.4	Low	8 Å²	8	75.9 Å²	75.9	5%	0.049	49%	0.486	C	S	.	.	S	Bend	trans	-90	110.6	174.1	75.1	0	0	0	0	108.7	Y709 L712 R713 E716 Q722	Y709-T725 HydrophobicContact CD2-CG2 4.04Å; Y709-T725 HydrophobicContact CE2-CG2 3.86Å; L712-T725 HydrophobicContact CB-CG2 4.03Å; R713-T725 HydrophobicContact CB-CG2 4.21Å; E716-T725 PolarHBondContact OE1-N 3.18Å; E716-T725 PolarHBondContact OE2-OG1 2.79Å; Q722-T725 WeakPolarHBondContact CG-O 3.46Å; Q722-T725 PolarHBondContact NE2-O 2.81Å
726	L	76.3	Confident	64.1	Low	141 Å²	141	80.4 Å²	80.4	74%	0.738	53%	0.525	S	S	*	.			trans	-64.2	138.2	159.9	-72.4	170.6	0	0	0	107.2	V728	L726-V728 PolarHBondContact O-N 3Å
727	A	47.2	Very low	60.8	Low	72 Å²	72	85.9 Å²	85.9	60%	0.595	56%	0.558	S	S	*	*			trans	-61.5	108.3	174	0	0	0	0	0	108.1	D729	A727-D729 PolarHBondContact O-N 3.29Å; A727-D729 VanDerWaalsContact O-N 3.1Å
728	V	44.1	Very low	57.8	Low	94 Å²	94	87 Å²	87	57%	0.57	57%	0.57	S	S	*	*			trans	-60.4	117	169.2	-179.1	0	0	0	0	106.3	Y709 L726 S730	Y709-V728 HydrophobicContact CE2-CG2 4.34Å; L726-V728 PolarHBondContact O-N 3Å; V728-S730 PolarHBondContact O-N 2.88Å; V728-S730 PolarHBondContact O-OG 3.46Å
729	D	33.1	Very low	54.7	Low	127 Å²	127	91.7 Å²	91.7	68%	0.679	58%	0.582	S	S	*	*			trans	-51.8	111.9	-178.7	-91.7	-39	0	0	0	109.3	A727 S731 S732	A727-D729 PolarHBondContact O-N 3.29Å; A727-D729 VanDerWaalsContact O-N 3.1Å; D729-S731 PolarHBondContact O-N 2.87Å; D729-S732 PolarHBondContact O-OG 3.48Å
730	S	32	Very low	51.7	Low	114 Å²	114	98 Å²	98	80%	0.797	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	24	-171.5	-43.6	0	0	0	0	112.5	V728	V728-S730 PolarHBondContact O-N 2.88Å; V728-S730 PolarHBondContact O-OG 3.46Å
731	S	30.2	Very low	48.6	Very low	78 Å²	78	101.3 Å²	101.3	55%	0.545	61%	0.612	S	S	.	*	T	Hydrogen-bonded Turn	trans	-108	-7.4	-176.1	53.3	0	0	0	0	112.9	D729	D729-S731 PolarHBondContact O-N 2.87Å
732	S	31.1	Very low	45.9	Very low	105 Å²	105	105.7 Å²	105.7	73%	0.734	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.3	1.7	-175.2	49.6	0	0	0	0	115.3	D729	D729-S732 PolarHBondContact O-OG 3.48Å
733	S	30.4	Very low	42.8	Very low	113 Å²	113	108.7 Å²	108.7	79%	0.79	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.8	12.7	179.5	60.4	0	0	0	0	115.4
734	S	28.3	Very low	39.7	Very low	97 Å²	97	118.9 Å²	118.9	68%	0.678	69%	0.69	S	S	*	*	S	Bend	trans	-152.2	41.6	-177.4	57.3	0	0	0	0	117.3
735	S	28.7	Very low	36.4	Very low	99 Å²	99	127.2 Å²	127.2	69%	0.692	73%	0.728	S	S	*	*			trans	-162.9	82.2	159	53.5	0	0	0	0	114.2	T737	S735-T737 VanDerWaalsContact C-N 3.33Å; S735-T737 PolarHBondContact O-N 3.1Å
736	A	27.3	Very low	33.4	Very low	104 Å²	104	135 Å²	135	86%	0.86	77%	0.769	S	S	*	*			trans	-87.4	69.6	163.4	0	0	0	0	0	110.8
737	T	28.5	Very low	31	Very low	118 Å²	118	135.3 Å²	135.3	72%	0.724	77%	0.77	S	S	*	*			trans	-160.6	146.5	166.2	6.2	0	0	0	0	113.2	S735	S735-T737 VanDerWaalsContact C-N 3.33Å; S735-T737 PolarHBondContact O-N 3.1Å
738	T	32.7	Very low	30.1	Very low	141 Å²	141	137.6 Å²	137.6	87%	0.865	78%	0.78	S	S	*	*			trans	68.5	114.5	169.2	31.5	0	0	0	0	119.1
739	Q	27.3	Very low	29.5	Very low	191 Å²	191	146.5 Å²	146.5	89%	0.893	81%	0.812	S	S	*	*			trans	-64.7	142.4	161.7	-61.9	152	-79.2	0	0	110.7
740	E	32.7	Very low	29.3	Very low	186 Å²	186	147.5 Å²	147.5	87%	0.869	82%	0.818	S	S	*	*				-176.9	152.2	120.3	-102.4	-179.4	175.4	0	0	113.8
741	N	28.7	Very low	29.2	Very low	138 Å²	138	149.3 Å²	149.3	74%	0.738	82%	0.819	S	S	*	*			trans	-22.2	138.7	177	-61.4	-33.5	0	0	0	120.4
742	N	33	Very low	29.2	Very low	161 Å²	161	153.2 Å²	153.2	86%	0.861	84%	0.835	S	S	*	*				-170.3	137.7	103.9	-99.9	-44.9	0	0	0	114.4
743	D	27.6	Very low	29	Very low	156 Å²	156	156.1 Å²	156.1	83%	0.834	84%	0.841	S	S	*	*			trans	-67.1	132.9	171.1	-66.9	-69	0	0	0	112.9
744	R	29.2	Very low	29	Very low	242 Å²	242	158.8 Å²	158.8	91%	0.913	84%	0.844	S	S	*	*			trans	-146.3	106.9	147.9	-76.3	-157.6	169.8	171.2	-2.2	112.2
745	Q	24.9	Very low	29	Very low	186 Å²	186	162.9 Å²	162.9	87%	0.869	86%	0.855	S	S	*	*			trans	-67.9	140.4	157.7	-68.9	173.6	-21.4	0	0	109.5
746	L	28.2	Very low	29	Very low	172 Å²	172	167.4 Å²	167.4	90%	0.901	87%	0.866	S	S	*	*			trans	-107.7	121.3	169.9	-96.5	157.3	0	0	0	109.1
747	I	26	Very low	29.2	Very low	148 Å²	148	172.3 Å²	172.3	76%	0.759	87%	0.867	S	S	*	*			trans	-97.7	126.3	171.8	-64	169.9	0	0	0	106.6
748	C	28	Very low	29.2	Very low	120 Å²	120	176.8 Å²	176.8	81%	0.811	88%	0.879	S	S	*	*			trans	-83.1	147.8	164.1	-75.3	0	0	0	0	110.3
749	F	32.1	Very low	28.9	Very low	281 Å²	281	180.1 Å²	180.1	100%	1.232	88%	0.88	S	S	*	*			trans	-76.7	0	164.8	-79.6	-83.1	0	0	0	110.9

Retrieved 749 of 749 residues in 372 ms (Link to these results)

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