A0A5K4EW40_SCHMA Loading...

Propionyl-CoA carboxylase beta chain, mitochondrial

AlphaFold DB , UniProt , Accession A0A5K4EW40, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 534 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	53	Low	54.1	Low	213 Å²	213	145.5 Å²	145.5	100%	1.049	70%	0.7	S	S	*	*				0	-29.5	0	-82.1	-177.2	-163.3	0	0	114.7	H3	M1-H3 PolarHBondContact O-N 2.84Å
2	L	49.2	Very low	54.5	Low	162 Å²	162	144.5 Å²	144.5	85%	0.848	69%	0.694	S	S	*	*	H	α-helix	trans	-73.3	-20.4	-179	-84.5	149	0	0	0	115.8
3	H	50.1	Low	55	Low	168 Å²	168	144.2 Å²	144.2	78%	0.778	69%	0.688	S	S	*	*	H	α-helix	trans	-79.7	-27.8	179.5	-111.4	-44	0	0	0	114.2	M1	M1-H3 PolarHBondContact O-N 2.84Å
4	T	53.1	Low	55.4	Low	103 Å²	103	143.4 Å²	143.4	63%	0.632	68%	0.681	S	S	*	*	H	α-helix	trans	-76.3	-31.8	-177.2	-27.8	0	0	0	0	112	S7 S8	T4-S7 PolarHBondContact O-N 3Å; T4-S8 PolarHBondContact O-OG 3.33Å
5	V	53.5	Low	55.5	Low	84 Å²	84	139.9 Å²	139.9	51%	0.509	67%	0.667	S	S	.	*	H	α-helix	trans	-71.5	-32.3	-179	-177.7	0	0	0	0	112.5	S7 Y9	V5-S7 VanDerWaalsContact C-N 3.33Å; V5-S7 PolarHBondContact O-N 2.85Å; V5-Y9 HydrophobicContact CG1-CD2 4.13Å; V5-Y9 HydrophobicContact CG1-CE2 4.11Å; V5-Y9 WeakPolarHBondContact O-CD2 3.31Å
6	R	51	Low	55.6	Low	200 Å²	200	143.1 Å²	143.1	76%	0.755	67%	0.671	S	S	*	*	H	α-helix	trans	-71.4	-24.2	177.9	-97.1	-177.3	172.1	178.5	-1.7	114
7	S	54.6	Low	55.8	Low	84 Å²	84	138.4 Å²	138.4	59%	0.587	65%	0.651	S	S	*	*	H	α-helix	trans	-75.9	-42.6	178.3	-179	0	0	0	0	111.4	T4 V5 Y9 R10 F11	T4-S7 PolarHBondContact O-N 3Å; V5-S7 VanDerWaalsContact C-N 3.33Å; V5-S7 PolarHBondContact O-N 2.85Å; S7-Y9 PolarHBondContact O-N 3.26Å; S7-R10 PolarHBondContact O-N 3.2Å; S7-F11 PolarHBondContact O-N 3.36Å; S7-F11 VanDerWaalsContact O-N 3.12Å
8	S	55.8	Low	55.7	Low	70 Å²	70	136.1 Å²	136.1	49%	0.49	64%	0.643	S	S	.	*	H	α-helix	trans	-62.2	-43	179.5	-40.1	0	0	0	0	112.6	T4 R10 F11 E12	T4-S8 PolarHBondContact O-OG 3.33Å; S8-R10 PolarHBondContact O-N 3.2Å; S8-F11 PolarHBondContact O-N 3.31Å; S8-E12 PolarHBondContact O-N 2.94Å
9	Y	56.4	Low	55.5	Low	171 Å²	171	132.5 Å²	132.5	67%	0.671	63%	0.633	S	S	*	*	H	α-helix	trans	-65.8	-35.2	177.5	-90.5	-83.3	0	0	0	113.5	V5 S7 F13	V5-Y9 HydrophobicContact CG1-CD2 4.13Å; V5-Y9 HydrophobicContact CG1-CE2 4.11Å; V5-Y9 WeakPolarHBondContact O-CD2 3.31Å; S7-Y9 PolarHBondContact O-N 3.26Å; Y9-F13 VanDerWaalsContact O-CB 3.3Å; Y9-F13 WeakPolarHBondContact O-CB 3.3Å; Y9-F13 PolarHBondContact O-N 2.75Å; Y9-F13 VanDerWaalsContact O-N 3.08Å
10	R	57.8	Low	55.5	Low	209 Å²	209	131 Å²	131	79%	0.789	63%	0.628	S	S	*	*	H	α-helix	trans	-70	-35.2	175.6	-86.1	-172.2	171.8	-168.8	-1.7	111.9	S7 S8 F14	S7-R10 PolarHBondContact O-N 3.2Å; S8-R10 PolarHBondContact O-N 3.2Å; R10-F14 WeakPolarHBondContact O-CB 3.36Å; R10-F14 PolarHBondContact O-N 2.88Å
11	F	60.7	Low	55.6	Low	136 Å²	136	134.3 Å²	134.3	60%	0.596	63%	0.634	S	S	*	*	H	α-helix	trans	-72.5	-42.7	178.7	-157.6	-103.8	0	0	0	112	S7 S8 F14 L15	S7-F11 PolarHBondContact O-N 3.36Å; S7-F11 VanDerWaalsContact O-N 3.12Å; S8-F11 PolarHBondContact O-N 3.31Å; F11-F14 PolarHBondContact O-N 3.29Å; F11-L15 HydrophobicContact CD1-CD1 3.65Å; F11-L15 HydrophobicContact CD1-CG 4.33Å; F11-L15 HydrophobicContact CE1-CD1 3.57Å; F11-L15 HydrophobicContact CE1-CG 4.24Å; F11-L15 WeakPolarHBondContact O-CG 3.09Å; F11-L15 PolarHBondContact O-N 2.83Å
12	E	59.3	Low	55.7	Low	134 Å²	134	127.4 Å²	127.4	63%	0.626	61%	0.606	S	S	*	*	H	α-helix	trans	-63.6	-41.7	173.2	-83.7	-167.1	157.1	0	0	112.6	S8 F14 L15 R16	S8-E12 PolarHBondContact O-N 2.94Å; E12-F14 VanDerWaalsContact C-N 3.32Å; E12-F14 PolarHBondContact O-N 2.75Å; E12-L15 PolarHBondContact O-N 3.06Å; E12-R16 WeakPolarHBondContact O-CB 3.45Å; E12-R16 PolarHBondContact O-N 3.24Å
13	F	60.2	Low	56.2	Low	141 Å²	141	124.7 Å²	124.7	62%	0.618	59%	0.592	S	S	*	*	H	α-helix	trans	-65	-36.2	176.7	-168.8	-102.2	0	0	0	112.2	Y9 N17	Y9-F13 VanDerWaalsContact O-CB 3.3Å; Y9-F13 WeakPolarHBondContact O-CB 3.3Å; Y9-F13 PolarHBondContact O-N 2.75Å; Y9-F13 VanDerWaalsContact O-N 3.08Å; F13-N17 VanDerWaalsContact CD1-ND2 3.26Å; F13-N17 WeakPolarHBondContact CD1-ND2 3.44Å; F13-N17 WeakPolarHBondContact CE1-ND2 3.48Å; F13-N17 WeakPolarHBondContact CZ-ND2 3.43Å; F13-N17 WeakPolarHBondContact O-CB 3.47Å; F13-N17 PolarHBondContact O-N 2.75Å; F13-N17 PolarHBondContact O-ND2 2.7Å
14	F	60.7	Low	57.2	Low	132 Å²	132	119.9 Å²	119.9	58%	0.579	58%	0.577	S	S	*	*	H	α-helix	trans	-67.9	-44.5	175.2	-170.6	-102	0	0	0	111.9	R10 F11 E12 N17 L18	R10-F14 WeakPolarHBondContact O-CB 3.36Å; R10-F14 PolarHBondContact O-N 2.88Å; F11-F14 PolarHBondContact O-N 3.29Å; E12-F14 VanDerWaalsContact C-N 3.32Å; E12-F14 PolarHBondContact O-N 2.75Å; F14-N17 PolarHBondContact O-N 3.01Å; F14-L18 HydrophobicContact CD1-CD1 3.92Å; F14-L18 HydrophobicContact CE1-CD1 3.43Å; F14-L18 VanDerWaalsContact CE1-CD1 3.43Å; F14-L18 HydrophobicContact CE2-CD1 4.18Å; F14-L18 HydrophobicContact CG-CD1 4.48Å; F14-L18 HydrophobicContact CZ-CD1 3.58Å; F14-L18 PolarHBondContact O-N 3.09Å
15	L	57.8	Low	58.5	Low	92 Å²	92	116.7 Å²	116.7	48%	0.482	56%	0.564	S	S	.	*	H	α-helix	trans	-65.2	-39.8	175.7	-73.9	171.4	0	0	0	112.5	F11 E12 L18 C19	F11-L15 HydrophobicContact CD1-CD1 3.65Å; F11-L15 HydrophobicContact CD1-CG 4.33Å; F11-L15 HydrophobicContact CE1-CD1 3.57Å; F11-L15 HydrophobicContact CE1-CG 4.24Å; F11-L15 WeakPolarHBondContact O-CG 3.09Å; F11-L15 PolarHBondContact O-N 2.83Å; E12-L15 PolarHBondContact O-N 3.06Å; L15-L18 PolarHBondContact O-N 2.87Å; L15-C19 WeakPolarHBondContact O-CB 3.42Å; L15-C19 PolarHBondContact O-N 3Å
16	R	56.9	Low	59.9	Low	191 Å²	191	116.9 Å²	116.9	72%	0.721	57%	0.566	S	S	*	*	H	α-helix	trans	-63.1	-43.5	173.9	-116.5	179.8	176.3	-160.6	-0.4	111.8	E12 C19 I20	E12-R16 WeakPolarHBondContact O-CB 3.45Å; E12-R16 PolarHBondContact O-N 3.24Å; R16-C19 PolarHBondContact O-N 3.38Å; R16-I20 WeakPolarHBondContact O-CB 3.34Å; R16-I20 WeakPolarHBondContact O-CD1 3.41Å; R16-I20 WeakPolarHBondContact O-CG1 3.46Å; R16-I20 PolarHBondContact O-N 3.08Å
17	N	58.5	Low	61.6	Low	62 Å²	62	110.1 Å²	110.1	33%	0.332	55%	0.553	S	S	.	*	H	α-helix	trans	-69.2	-34.2	177.7	-79.2	-34.7	0	0	0	113	F13 F14 R21	F13-N17 VanDerWaalsContact CD1-ND2 3.26Å; F13-N17 WeakPolarHBondContact CD1-ND2 3.44Å; F13-N17 WeakPolarHBondContact CE1-ND2 3.48Å; F13-N17 WeakPolarHBondContact CZ-ND2 3.43Å; F13-N17 WeakPolarHBondContact O-CB 3.47Å; F13-N17 PolarHBondContact O-N 2.75Å; F13-N17 PolarHBondContact O-ND2 2.7Å; F14-N17 PolarHBondContact O-N 3.01Å; N17-R21 VanDerWaalsContact O-CB 3.32Å; N17-R21 WeakPolarHBondContact O-CB 3.44Å; N17-R21 VanDerWaalsContact O-CG 3.3Å; N17-R21 WeakPolarHBondContact O-CG 3.5Å; N17-R21 PolarHBondContact O-N 3.4Å
18	L	53.8	Low	63.2	Low	98 Å²	98	111 Å²	111	51%	0.513	55%	0.551	S	S	.	*	H	α-helix	trans	-64.4	-45	172.1	-117.3	98.3	0	0	0	111.2	F14 L15 R21 S22	F14-L18 HydrophobicContact CD1-CD1 3.92Å; F14-L18 HydrophobicContact CE1-CD1 3.43Å; F14-L18 VanDerWaalsContact CE1-CD1 3.43Å; F14-L18 HydrophobicContact CE2-CD1 4.18Å; F14-L18 HydrophobicContact CG-CD1 4.48Å; F14-L18 HydrophobicContact CZ-CD1 3.58Å; F14-L18 PolarHBondContact O-N 3.09Å; L15-L18 PolarHBondContact O-N 2.87Å; L18-R21 PolarHBondContact O-N 3.38Å; L18-S22 WeakPolarHBondContact O-CB 3.25Å; L18-S22 PolarHBondContact O-N 3.27Å; L18-S22 PolarHBondContact O-OG 2.94Å
19	C	52.6	Low	64.9	Low	68 Å²	68	111 Å²	111	46%	0.459	55%	0.548	S	S	.	.	H	α-helix	trans	-67.4	-40.6	180	-157.7	0	0	0	0	111.8	L15 R16 S22 I23	L15-C19 WeakPolarHBondContact O-CB 3.42Å; L15-C19 PolarHBondContact O-N 3Å; R16-C19 PolarHBondContact O-N 3.38Å; C19-S22 WeakPolarHBondContact CA-OG 3.42Å; C19-S22 PolarHBondContact O-N 2.97Å; C19-S22 PolarHBondContact O-OG 3.48Å; C19-I23 WeakPolarHBondContact O-CB 3.21Å; C19-I23 WeakPolarHBondContact O-CD1 3.34Å; C19-I23 WeakPolarHBondContact O-CG1 3.49Å; C19-I23 PolarHBondContact O-N 2.83Å
20	I	56	Low	66.6	Low	101 Å²	101	107.6 Å²	107.6	52%	0.518	54%	0.541	S	S	.	.	H	α-helix	trans	-64.9	-43.1	174.8	-68.5	164.7	0	0	0	110.9	R16 I23 S24	R16-I20 WeakPolarHBondContact O-CB 3.34Å; R16-I20 WeakPolarHBondContact O-CD1 3.41Å; R16-I20 WeakPolarHBondContact O-CG1 3.46Å; R16-I20 PolarHBondContact O-N 3.08Å; I20-I23 PolarHBondContact O-N 3.29Å; I20-S24 WeakPolarHBondContact O-CB 3.29Å; I20-S24 PolarHBondContact O-N 3.38Å; I20-S24 PolarHBondContact O-OG 2.93Å
21	R	55.9	Low	68.2	Low	201 Å²	201	102.8 Å²	102.8	76%	0.758	53%	0.531	S	S	*	.	H	α-helix	trans	-65.8	-37.4	176.1	-77.3	-179.2	176.5	-169	-0.9	112.8	N17 L18 S24 G25	N17-R21 VanDerWaalsContact O-CB 3.32Å; N17-R21 WeakPolarHBondContact O-CB 3.44Å; N17-R21 VanDerWaalsContact O-CG 3.3Å; N17-R21 WeakPolarHBondContact O-CG 3.5Å; N17-R21 PolarHBondContact O-N 3.4Å; L18-R21 PolarHBondContact O-N 3.38Å; R21-S24 WeakPolarHBondContact CA-OG 3.12Å; R21-S24 PolarHBondContact O-OG 2.98Å; R21-G25 PolarHBondContact O-N 3.29Å
22	S	55.6	Low	69.8	Low	68 Å²	68	99.5 Å²	99.5	48%	0.476	52%	0.522	S	S	.	.	H	α-helix	trans	-70.4	-41.1	176.8	66.1	0	0	0	0	111.6	L18 C19 G25 V26	L18-S22 WeakPolarHBondContact O-CB 3.25Å; L18-S22 PolarHBondContact O-N 3.27Å; L18-S22 PolarHBondContact O-OG 2.94Å; C19-S22 WeakPolarHBondContact CA-OG 3.42Å; C19-S22 PolarHBondContact O-N 2.97Å; C19-S22 PolarHBondContact O-OG 3.48Å; S22-G25 PolarHBondContact O-N 3.47Å; S22-V26 WeakPolarHBondContact O-CG2 3.38Å; S22-V26 PolarHBondContact O-N 3.38Å
23	I	59.9	Low	71.5	Confident	106 Å²	106	100.7 Å²	100.7	54%	0.544	52%	0.52	S	S	.	.	H	α-helix	trans	-66	-41.6	176.5	-66.9	164.6	0	0	0	110.6	C19 I20 G25 V26 A27	C19-I23 WeakPolarHBondContact O-CB 3.21Å; C19-I23 WeakPolarHBondContact O-CD1 3.34Å; C19-I23 WeakPolarHBondContact O-CG1 3.49Å; C19-I23 PolarHBondContact O-N 2.83Å; I20-I23 PolarHBondContact O-N 3.29Å; I23-G25 VanDerWaalsContact C-N 3.32Å; I23-G25 PolarHBondContact O-N 2.96Å; I23-V26 PolarHBondContact O-N 2.82Å; I23-A27 WeakPolarHBondContact O-CB 3.29Å; I23-A27 PolarHBondContact O-N 2.96Å
24	S	71.2	Confident	73.1	Confident	67 Å²	67	98.3 Å²	98.3	47%	0.469	51%	0.511	S	S	.	.	H	α-helix	trans	-64.8	-36.6	175.9	67.6	0	0	0	0	112.3	I20 R21 N28	I20-S24 WeakPolarHBondContact O-CB 3.29Å; I20-S24 PolarHBondContact O-N 3.38Å; I20-S24 PolarHBondContact O-OG 2.93Å; R21-S24 WeakPolarHBondContact CA-OG 3.12Å; R21-S24 PolarHBondContact O-OG 2.98Å; S24-N28 VanDerWaalsContact O-CB 3.31Å; S24-N28 WeakPolarHBondContact O-CB 3.5Å; S24-N28 PolarHBondContact O-N 3.44Å
25	G	79.6	Confident	74.7	Confident	35 Å²	35	98.7 Å²	98.7	36%	0.361	51%	0.513	S	S	.	.	H	α-helix	trans	-65.1	-43.2	175.3	0	0	0	0	0	112.9	R21 S22 I23 T29	R21-G25 PolarHBondContact O-N 3.29Å; S22-G25 PolarHBondContact O-N 3.47Å; I23-G25 VanDerWaalsContact C-N 3.32Å; I23-G25 PolarHBondContact O-N 2.96Å; G25-T29 WeakPolarHBondContact O-CB 3.34Å; G25-T29 PolarHBondContact O-N 3.44Å; G25-T29 PolarHBondContact O-OG1 3.29Å
26	V	83.7	Confident	76.5	Confident	89 Å²	89	97.6 Å²	97.6	54%	0.539	51%	0.506	S	S	.	.	H	α-helix	trans	-66.3	-45.8	176.8	174.2	0	0	0	0	111.1	S22 I23 N28 T29 L30	S22-V26 WeakPolarHBondContact O-CG2 3.38Å; S22-V26 PolarHBondContact O-N 3.38Å; I23-V26 PolarHBondContact O-N 2.82Å; V26-N28 PolarHBondContact O-N 3.35Å; V26-T29 WeakPolarHBondContact O-CB 3.42Å; V26-T29 PolarHBondContact O-N 2.92Å; V26-L30 HydrophobicContact CG1-CD1 4.13Å; V26-L30 HydrophobicContact CG1-CG 4.47Å; V26-L30 WeakPolarHBondContact O-CG 3.49Å; V26-L30 PolarHBondContact O-N 3.09Å
27	A	85.8	Confident	78.3	Confident	58 Å²	58	94.3 Å²	94.3	48%	0.479	50%	0.497	S	S	.	.	H	α-helix	trans	-59.9	-47.2	178.2	0	0	0	0	0	112	I23 T29 L30 D31	I23-A27 WeakPolarHBondContact O-CB 3.29Å; I23-A27 PolarHBondContact O-N 2.96Å; A27-T29 VanDerWaalsContact C-N 3.31Å; A27-T29 PolarHBondContact O-N 3.16Å; A27-L30 PolarHBondContact O-N 3.27Å; A27-D31 PolarHBondContact O-N 3.02Å
28	N	89.3	Confident	80.1	Confident	102 Å²	102	94.4 Å²	94.4	55%	0.545	50%	0.498	S	S	.	.	H	α-helix	trans	-60.2	-40.3	175	-176	57.1	0	0	0	112	S24 V26 L30 D31 V32	S24-N28 VanDerWaalsContact O-CB 3.31Å; S24-N28 WeakPolarHBondContact O-CB 3.5Å; S24-N28 PolarHBondContact O-N 3.44Å; V26-N28 PolarHBondContact O-N 3.35Å; N28-L30 PolarHBondContact O-N 3.08Å; N28-D31 PolarHBondContact O-N 3.35Å; N28-V32 WeakPolarHBondContact O-CB 3.4Å; N28-V32 VanDerWaalsContact O-CG2 3.23Å; N28-V32 WeakPolarHBondContact O-CG2 3.37Å; N28-V32 PolarHBondContact O-N 3.11Å
29	T	91.2	Very high	82	Confident	69 Å²	69	91.2 Å²	91.2	42%	0.423	48%	0.482	S	S	.	.	H	α-helix	trans	-64.3	-39.5	177.5	-57.6	0	0	0	0	112	G25 V26 A27 R33	G25-T29 WeakPolarHBondContact O-CB 3.34Å; G25-T29 PolarHBondContact O-N 3.44Å; G25-T29 PolarHBondContact O-OG1 3.29Å; V26-T29 WeakPolarHBondContact O-CB 3.42Å; V26-T29 PolarHBondContact O-N 2.92Å; A27-T29 VanDerWaalsContact C-N 3.31Å; A27-T29 PolarHBondContact O-N 3.16Å; T29-R33 WeakPolarHBondContact O-CG 3.27Å; T29-R33 PolarHBondContact O-N 3.25Å
30	L	92	Very high	84.1	Confident	101 Å²	101	94.9 Å²	94.9	53%	0.529	49%	0.487	S	S	.	.	H	α-helix	trans	-68.5	-42.3	176.7	-69.4	174	0	0	0	111.8	V26 A27 N28 R33 Q34	V26-L30 HydrophobicContact CG1-CD1 4.13Å; V26-L30 HydrophobicContact CG1-CG 4.47Å; V26-L30 WeakPolarHBondContact O-CG 3.49Å; V26-L30 PolarHBondContact O-N 3.09Å; A27-L30 PolarHBondContact O-N 3.27Å; N28-L30 PolarHBondContact O-N 3.08Å; L30-R33 WeakPolarHBondContact O-CB 3.43Å; L30-R33 PolarHBondContact O-N 3.21Å; L30-Q34 PolarHBondContact O-N 2.7Å
31	D	91.7	Very high	85.9	Confident	108 Å²	108	95.9 Å²	95.9	58%	0.578	49%	0.489	S	S	*	.	H	α-helix	trans	-62.2	-45.4	176.2	-172.9	45.2	0	0	0	111.7	A27 N28 R33 Q34 K35	A27-D31 PolarHBondContact O-N 3.02Å; N28-D31 PolarHBondContact O-N 3.35Å; D31-R33 VanDerWaalsContact C-N 3.31Å; D31-R33 PolarHBondContact O-N 3.26Å; D31-Q34 PolarHBondContact O-N 3.12Å; D31-Q34 VanDerWaalsContact O-N 3.15Å; D31-K35 WeakPolarHBondContact O-CB 3.23Å; D31-K35 PolarHBondContact O-N 3.31Å
32	V	94.2	Very high	87.7	Confident	67 Å²	67	92.5 Å²	92.5	41%	0.406	48%	0.48	S	S	.	.	H	α-helix	trans	-59.3	-41.5	174	170.4	0	0	0	0	111.4	N28 K35 I36	N28-V32 WeakPolarHBondContact O-CB 3.4Å; N28-V32 VanDerWaalsContact O-CG2 3.23Å; N28-V32 WeakPolarHBondContact O-CG2 3.37Å; N28-V32 PolarHBondContact O-N 3.11Å; V32-K35 PolarHBondContact O-N 3.16Å; V32-I36 HydrophobicContact CG1-CD1 3.91Å; V32-I36 HydrophobicContact CG1-CG1 4.48Å; V32-I36 VanDerWaalsContact O-CG1 3.25Å; V32-I36 WeakPolarHBondContact O-CG1 3.14Å; V32-I36 PolarHBondContact O-N 3.47Å
33	R	94.4	Very high	89.6	Confident	159 Å²	159	89.6 Å²	89.6	60%	0.6	46%	0.459	S	S	*	.	H	α-helix	trans	-63	-41.1	176	-79.3	177.3	176.9	-174.4	0.1	112.2	T29 L30 D31 I36 K37	T29-R33 WeakPolarHBondContact O-CG 3.27Å; T29-R33 PolarHBondContact O-N 3.25Å; L30-R33 WeakPolarHBondContact O-CB 3.43Å; L30-R33 PolarHBondContact O-N 3.21Å; D31-R33 VanDerWaalsContact C-N 3.31Å; D31-R33 PolarHBondContact O-N 3.26Å; R33-I36 PolarHBondContact O-N 2.91Å; R33-K37 PolarHBondContact O-N 3.03Å; R33-K37 VanDerWaalsContact O-N 3.14Å
34	Q	94.2	Very high	91.3	Very high	91 Å²	91	89.9 Å²	89.9	43%	0.425	46%	0.461	S	S	.	.	H	α-helix	trans	-65.6	-47	176.6	-170.1	58.4	43.6	0	0	110.5	L30 D31 I36 K37 D38	L30-Q34 PolarHBondContact O-N 2.7Å; D31-Q34 PolarHBondContact O-N 3.12Å; D31-Q34 VanDerWaalsContact O-N 3.15Å; Q34-I36 VanDerWaalsContact C-N 3.27Å; Q34-I36 PolarHBondContact O-N 2.94Å; Q34-K37 WeakPolarHBondContact O-CA 3.44Å; Q34-K37 WeakPolarHBondContact O-CB 3.44Å; Q34-K37 PolarHBondContact O-N 2.74Å; Q34-D38 PolarHBondContact NE2-OD1 2.96Å; Q34-D38 VanDerWaalsContact O-CG 3.24Å; Q34-D38 PolarHBondContact O-N 2.83Å
35	K	94.3	Very high	92.4	Very high	140 Å²	140	90 Å²	90	61%	0.609	46%	0.456	S	S	*	.	H	α-helix	trans	-57.1	-38.8	176.1	-172.3	175.7	-177.5	177.4	0	113.1	D31 V32 T39	D31-K35 WeakPolarHBondContact O-CB 3.23Å; D31-K35 PolarHBondContact O-N 3.31Å; V32-K35 PolarHBondContact O-N 3.16Å; K35-T39 VanDerWaalsContact O-CB 3.29Å; K35-T39 WeakPolarHBondContact O-CB 3.21Å; K35-T39 PolarHBondContact O-N 3.48Å; K35-T39 PolarHBondContact O-OG1 2.98Å
36	I	95.6	Very high	93.2	Very high	68 Å²	68	89.1 Å²	89.1	35%	0.349	45%	0.446	S	S	.	.	H	α-helix	trans	-62.6	-44.8	174	-71.3	165	0	0	0	110.7	V32 R33 Q34 T39 R40 F82	V32-I36 HydrophobicContact CG1-CD1 3.91Å; V32-I36 HydrophobicContact CG1-CG1 4.48Å; V32-I36 VanDerWaalsContact O-CG1 3.25Å; V32-I36 WeakPolarHBondContact O-CG1 3.14Å; V32-I36 PolarHBondContact O-N 3.47Å; R33-I36 PolarHBondContact O-N 2.91Å; Q34-I36 VanDerWaalsContact C-N 3.27Å; Q34-I36 PolarHBondContact O-N 2.94Å; I36-T39 PolarHBondContact O-N 2.68Å; I36-R40 WeakPolarHBondContact O-CB 3.5Å; I36-R40 VanDerWaalsContact O-CG 3.31Å; I36-R40 WeakPolarHBondContact O-CG 3.48Å; I36-R40 PolarHBondContact O-N 2.78Å; I36-F82 HydrophobicContact CG2-CZ 4.36Å
37	K	95.4	Very high	93.8	Very high	123 Å²	123	85.8 Å²	85.8	54%	0.535	43%	0.43	S	S	.	.	H	α-helix	trans	-61.9	-51.4	176.7	-73.6	177.6	173.6	-174.9	0	111.3	R33 Q34 T39 R40 E41	R33-K37 PolarHBondContact O-N 3.03Å; R33-K37 VanDerWaalsContact O-N 3.14Å; Q34-K37 WeakPolarHBondContact O-CA 3.44Å; Q34-K37 WeakPolarHBondContact O-CB 3.44Å; Q34-K37 PolarHBondContact O-N 2.74Å; K37-T39 PolarHBondContact O-N 2.97Å; K37-R40 WeakPolarHBondContact O-CB 3.39Å; K37-R40 PolarHBondContact O-N 3.11Å; K37-E41 PolarHBondContact O-N 2.87Å
38	D	95.2	Very high	94.3	Very high	64 Å²	64	84.1 Å²	84.1	34%	0.342	42%	0.419	S	S	.	.	H	α-helix	trans	-59.2	-38.4	-179.2	-58.7	-13	0	0	0	111.5	Q34 K42	Q34-D38 PolarHBondContact NE2-OD1 2.96Å; Q34-D38 VanDerWaalsContact O-CG 3.24Å; Q34-D38 PolarHBondContact O-N 2.83Å; D38-K42 WeakPolarHBondContact O-CG 3.34Å; D38-K42 PolarHBondContact O-N 3.39Å; D38-K42 VanDerWaalsContact O-N 3.13Å
39	T	94.6	Very high	94.6	Very high	30 Å²	30	86.2 Å²	86.2	18%	0.184	43%	0.425	C	S	.	.	H	α-helix	trans	-73.3	-36.2	178.8	-55.3	0	0	0	0	111.3	K35 I36 K37 E41 K42 I43 F82 P98	K35-T39 VanDerWaalsContact O-CB 3.29Å; K35-T39 WeakPolarHBondContact O-CB 3.21Å; K35-T39 PolarHBondContact O-N 3.48Å; K35-T39 PolarHBondContact O-OG1 2.98Å; I36-T39 PolarHBondContact O-N 2.68Å; K37-T39 PolarHBondContact O-N 2.97Å; T39-E41 VanDerWaalsContact C-N 3.34Å; T39-K42 PolarHBondContact O-N 3.38Å; T39-I43 HydrophobicContact CG2-CD1 4.05Å; T39-I43 HydrophobicContact CG2-CG1 4.46Å; T39-I43 WeakPolarHBondContact O-CB 3.41Å; T39-I43 WeakPolarHBondContact O-CD1 3.31Å; T39-I43 WeakPolarHBondContact O-CG1 3.44Å; T39-I43 PolarHBondContact O-N 2.9Å; T39-F82 HydrophobicContact CG2-CD1 3.55Å; T39-F82 HydrophobicContact CG2-CE1 3.66Å; T39-P98 HydrophobicContact CG2-CB 4.37Å; T39-P98 HydrophobicContact CG2-CG 4.06Å
40	R	95.4	Very high	94.9	Very high	146 Å²	146	91.4 Å²	91.4	55%	0.551	44%	0.442	S	S	*	.	H	α-helix	trans	-62.7	-40.5	172.5	-77	177.3	176.1	-178.9	-0.5	112.1	I36 K37 K42 I43 L44 F82	I36-R40 WeakPolarHBondContact O-CB 3.5Å; I36-R40 VanDerWaalsContact O-CG 3.31Å; I36-R40 WeakPolarHBondContact O-CG 3.48Å; I36-R40 PolarHBondContact O-N 2.78Å; K37-R40 WeakPolarHBondContact O-CB 3.39Å; K37-R40 PolarHBondContact O-N 3.11Å; R40-K42 VanDerWaalsContact C-N 3.34Å; R40-K42 PolarHBondContact O-N 2.96Å; R40-I43 WeakPolarHBondContact O-CB 3.42Å; R40-I43 PolarHBondContact O-N 3.14Å; R40-L44 WeakPolarHBondContact O-CG 3.13Å; R40-L44 PolarHBondContact O-N 2.96Å; R40-F82 HydrophobicContact CG-CE1 4.37Å; R40-F82 HydrophobicContact CG-CZ 3.72Å
41	E	94.6	Very high	95.2	Very high	121 Å²	121	92.5 Å²	92.5	57%	0.565	44%	0.439	S	S	*	.	H	α-helix	trans	-61.3	-43.6	174.4	-70.4	172.7	-171.1	0	0	111.1	K37 T39 I43 L44 L45	K37-E41 PolarHBondContact O-N 2.87Å; T39-E41 VanDerWaalsContact C-N 3.34Å; E41-I43 PolarHBondContact O-N 3.33Å; E41-L44 PolarHBondContact O-N 3.26Å; E41-L45 WeakPolarHBondContact O-CG 3.2Å; E41-L45 PolarHBondContact O-N 2.71Å
42	K	93.7	Very high	95.5	Very high	131 Å²	131	89.1 Å²	89.1	57%	0.57	42%	0.42	S	S	*	.	H	α-helix	trans	-62.5	-40.1	174	-69.6	176.4	-174.2	-179.3	0	113.3	D38 T39 R40 L44 L45 G46	D38-K42 WeakPolarHBondContact O-CG 3.34Å; D38-K42 PolarHBondContact O-N 3.39Å; D38-K42 VanDerWaalsContact O-N 3.13Å; T39-K42 PolarHBondContact O-N 3.38Å; R40-K42 VanDerWaalsContact C-N 3.34Å; R40-K42 PolarHBondContact O-N 2.96Å; K42-L44 VanDerWaalsContact C-N 3.29Å; K42-L44 PolarHBondContact O-N 3.28Å; K42-L45 PolarHBondContact O-N 3.44Å; K42-G46 PolarHBondContact O-N 2.82Å
43	I	95.9	Very high	95.7	Very high	6 Å²	6	90.8 Å²	90.8	3%	0.031	42%	0.424	C	S	.	.	H	α-helix	trans	-60.1	-40.1	176.9	-74.6	163	0	0	0	111.2	T39 R40 E41 L45 G46 R64 A81 F82 P98 C99	T39-I43 HydrophobicContact CG2-CD1 4.05Å; T39-I43 HydrophobicContact CG2-CG1 4.46Å; T39-I43 WeakPolarHBondContact O-CB 3.41Å; T39-I43 WeakPolarHBondContact O-CD1 3.31Å; T39-I43 WeakPolarHBondContact O-CG1 3.44Å; T39-I43 PolarHBondContact O-N 2.9Å; R40-I43 WeakPolarHBondContact O-CB 3.42Å; R40-I43 PolarHBondContact O-N 3.14Å; E41-I43 PolarHBondContact O-N 3.33Å; I43-L45 VanDerWaalsContact C-N 3.32Å; I43-G46 PolarHBondContact O-N 3.49Å; I43-R64 PolarHBondContact O-NE 3.38Å; I43-R64 PolarHBondContact O-NH2 3.15Å; I43-A81 HydrophobicContact CD1-CB 4.08Å; I43-A81 WeakPolarHBondContact CD1-O 3.3Å; I43-A81 VanDerWaalsContact CG1-O 3.32Å; I43-A81 WeakPolarHBondContact CG1-O 3.42Å; I43-A81 HydrophobicContact CG2-CB 4.26Å; I43-F82 HydrophobicContact CD1-CD1 3.82Å; I43-F82 HydrophobicContact CD1-CD2 4.26Å; I43-F82 HydrophobicContact CD1-CE1 3.87Å; I43-F82 HydrophobicContact CD1-CE2 4.29Å; I43-F82 HydrophobicContact CD1-CG 4.03Å; I43-F82 HydrophobicContact CD1-CZ 4.11Å; I43-P98 HydrophobicContact CD1-CB 4.2Å; I43-P98 HydrophobicContact CG1-CB 3.55Å; I43-P98 HydrophobicContact CG1-CG 4.46Å; I43-C99 HydrophobicContact CG2-CB 4.44Å
44	L	94.9	Very high	95.9	Very high	112 Å²	112	85 Å²	85	59%	0.586	41%	0.41	S	S	*	.	H	α-helix	trans	-69.3	-31.9	178.7	-67.5	174.3	0	0	0	112.2	R40 E41 K42	R40-L44 WeakPolarHBondContact O-CG 3.13Å; R40-L44 PolarHBondContact O-N 2.96Å; E41-L44 PolarHBondContact O-N 3.26Å; K42-L44 VanDerWaalsContact C-N 3.29Å; K42-L44 PolarHBondContact O-N 3.28Å
45	L	95.7	Very high	96	Very high	71 Å²	71	80.9 Å²	80.9	37%	0.372	39%	0.391	S	S	.	.	H	α-helix	trans	-77.6	-17.7	179.1	-70.6	173.6	0	0	0	114.1	E41 K42 I43 G47 G48 E49 I52	E41-L45 WeakPolarHBondContact O-CG 3.2Å; E41-L45 PolarHBondContact O-N 2.71Å; K42-L45 PolarHBondContact O-N 3.44Å; I43-L45 VanDerWaalsContact C-N 3.32Å; L45-G47 PolarHBondContact O-N 3.41Å; L45-G47 VanDerWaalsContact O-N 3.13Å; L45-G48 WeakPolarHBondContact O-CA 3.48Å; L45-G48 PolarHBondContact O-N 3.11Å; L45-E49 HydrophobicContact CD2-CG 3.8Å; L45-I52 WeakPolarHBondContact O-CD1 3.27Å
46	G	95.8	Very high	96.2	Very high	15 Å²	15	77.9 Å²	77.9	16%	0.155	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	-117.5	-179.5	0	0	0	0	0	112.3	K42 I43 G48	K42-G46 PolarHBondContact O-N 2.82Å; I43-G46 PolarHBondContact O-N 3.49Å; G46-G48 PolarHBondContact O-N 2.88Å
47	G	95.5	Very high	96.3	Very high	19 Å²	19	82 Å²	82	20%	0.196	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	1.2	176.4	0	0	0	0	0	115.8	L45 R51 T122	L45-G47 PolarHBondContact O-N 3.41Å; L45-G47 VanDerWaalsContact O-N 3.13Å; G47-R51 WeakPolarHBondContact O-CD 3.05Å; G47-T122 WeakPolarHBondContact CA-O 3.45Å; G47-T122 PolarHBondContact N-OG1 3.13Å
48	G	96.5	Very high	96.3	Very high	24 Å²	24	83 Å²	83	25%	0.247	40%	0.395	C	S	.	.			trans	96.7	158.6	-179.5	0	0	0	0	0	114	L45 G46 K50 R51 I52	L45-G48 WeakPolarHBondContact O-CA 3.48Å; L45-G48 PolarHBondContact O-N 3.11Å; G46-G48 PolarHBondContact O-N 2.88Å; G48-K50 VanDerWaalsContact C-N 3.3Å; G48-K50 PolarHBondContact O-N 3.42Å; G48-R51 PolarHBondContact O-N 2.78Å; G48-I52 PolarHBondContact O-N 3.2Å; G48-I52 VanDerWaalsContact O-N 3.14Å
49	E	96.8	Very high	96.4	Very high	145 Å²	145	82.6 Å²	82.6	68%	0.678	41%	0.406	S	S	*	.	H	α-helix	trans	-52.2	-42.8	-173.8	-63.5	-177.8	164.5	0	0	113.5	L45 R51 I52 E53	L45-E49 HydrophobicContact CD2-CG 3.8Å; E49-R51 PolarHBondContact O-N 2.77Å; E49-I52 WeakPolarHBondContact O-CB 3.49Å; E49-I52 PolarHBondContact O-N 2.71Å; E49-I52 VanDerWaalsContact O-N 3.15Å; E49-E53 PolarHBondContact O-N 3.03Å
50	K	97.5	Very high	96.5	Very high	178 Å²	178	81.7 Å²	81.7	77%	0.774	40%	0.399	S	S	*	.	H	α-helix	trans	-58.6	-35.9	178.4	-177.4	176.7	179.4	178.6	0	112.8	G48 A54	G48-K50 VanDerWaalsContact C-N 3.3Å; G48-K50 PolarHBondContact O-N 3.42Å; K50-A54 WeakPolarHBondContact O-CB 3.09Å; K50-A54 PolarHBondContact O-N 2.89Å
51	R	97.5	Very high	96.7	Very high	125 Å²	125	76.6 Å²	76.6	47%	0.472	38%	0.383	S	S	.	.	H	α-helix	trans	-79.7	-33.8	178.9	-66	-168.4	179.5	-160.5	-1.7	111.6	G47 G48 E49 A54 Q55 T122	G47-R51 WeakPolarHBondContact O-CD 3.05Å; G48-R51 PolarHBondContact O-N 2.78Å; E49-R51 PolarHBondContact O-N 2.77Å; R51-A54 PolarHBondContact O-N 3.4Å; R51-Q55 PolarHBondContact O-N 3.43Å; R51-T122 HydrophobicContact CB-CG2 4.05Å; R51-T122 WeakPolarHBondContact CD-O 3.45Å; R51-T122 PolarHBondContact NH1-O 3.33Å
52	I	98.2	Very high	96.9	Very high	36 Å²	36	71.6 Å²	71.6	19%	0.185	36%	0.361	C	S	.	.	H	α-helix	trans	-60.9	-50.6	171.3	-67.6	167.7	0	0	0	109.8	L45 G48 E49 A54 Q55 H56 T62 T122	L45-I52 WeakPolarHBondContact O-CD1 3.27Å; G48-I52 PolarHBondContact O-N 3.2Å; G48-I52 VanDerWaalsContact O-N 3.14Å; E49-I52 WeakPolarHBondContact O-CB 3.49Å; E49-I52 PolarHBondContact O-N 2.71Å; E49-I52 VanDerWaalsContact O-N 3.15Å; I52-A54 VanDerWaalsContact C-N 3.27Å; I52-A54 PolarHBondContact O-N 2.91Å; I52-Q55 WeakPolarHBondContact O-CA 3.47Å; I52-Q55 WeakPolarHBondContact O-CB 3.15Å; I52-Q55 PolarHBondContact O-N 2.98Å; I52-H56 PolarHBondContact O-N 3.31Å; I52-T62 HydrophobicContact CB-CG2 4.4Å; I52-T62 HydrophobicContact CG1-CG2 4.16Å; I52-T62 HydrophobicContact CG2-CG2 3.78Å; I52-T122 HydrophobicContact CG1-CG2 4.34Å
53	E	97.9	Very high	97.1	Very high	103 Å²	103	65.5 Å²	65.5	48%	0.481	33%	0.334	S	S	.	.	H	α-helix	trans	-60.4	-37.9	178.2	-164.9	-165.8	163.2	0	0	111.7	E49 H56 K57	E49-E53 PolarHBondContact O-N 3.03Å; E53-H56 PolarHBondContact O-N 3.33Å; E53-K57 WeakPolarHBondContact O-CB 3.49Å; E53-K57 VanDerWaalsContact O-CG 3.29Å; E53-K57 WeakPolarHBondContact O-CG 3.49Å; E53-K57 PolarHBondContact O-N 2.9Å; E53-K57 WeakPolarHBondContact OE1-CE 3.41Å; E53-K57 IonicContact OE1-NZ 2.67Å; E53-K57 PolarHBondContact OE1-NZ 3.41Å; E53-K57 IonicContact OE2-NZ 3.96Å
54	A	97.8	Very high	97.2	Very high	38 Å²	38	67.2 Å²	67.2	31%	0.314	34%	0.341	S	S	.	.	H	α-helix	trans	-67.3	-34	174.9	0	0	0	0	0	113.3	K50 R51 I52 R58	K50-A54 WeakPolarHBondContact O-CB 3.09Å; K50-A54 PolarHBondContact O-N 2.89Å; R51-A54 PolarHBondContact O-N 3.4Å; I52-A54 VanDerWaalsContact C-N 3.27Å; I52-A54 PolarHBondContact O-N 2.91Å; A54-R58 WeakPolarHBondContact O-CG 3.47Å
55	Q	97.8	Very high	97.4	Very high	4 Å²	4	64.9 Å²	64.9	2%	0.019	33%	0.327	C	S	.	.	H	α-helix	trans	-66.6	-48	173.3	-179.7	82.5	-16.1	0	0	110	R51 I52 K57 R58 K60 L61 T122 D155	R51-Q55 PolarHBondContact O-N 3.43Å; I52-Q55 WeakPolarHBondContact O-CA 3.47Å; I52-Q55 WeakPolarHBondContact O-CB 3.15Å; I52-Q55 PolarHBondContact O-N 2.98Å; Q55-K57 VanDerWaalsContact C-N 3.35Å; Q55-K57 PolarHBondContact O-N 3.24Å; Q55-R58 WeakPolarHBondContact O-CB 3.48Å; Q55-R58 PolarHBondContact O-N 3.47Å; Q55-K60 CarbonylContact C-O 3.58Å; Q55-K60 HydrophobicContact CG-CB 3.95Å; Q55-K60 PolarHBondContact O-N 3.47Å; Q55-L61 PolarHBondContact NE2-O 3.34Å; Q55-T122 HydrophobicContact CB-CG2 4.46Å; Q55-D155 PolarHBondContact NE2-OD2 2.94Å
56	H	98	Very high	97.5	Very high	77 Å²	77	61.5 Å²	61.5	36%	0.356	31%	0.309	S	S	.	.	H	α-helix	trans	-62.1	-38.8	177.5	-66.2	159.1	0	0	0	112.8	I52 E53 R58 G59 K60 E65	I52-H56 PolarHBondContact O-N 3.31Å; E53-H56 PolarHBondContact O-N 3.33Å; H56-R58 PolarHBondContact O-N 3.28Å; H56-R58 VanDerWaalsContact O-N 3.11Å; H56-G59 PolarHBondContact O-N 3.26Å; H56-K60 PolarHBondContact CD2-O 2.9Å; H56-E65 IonicContact CD2-OE2 2.81Å; H56-E65 IonicContact CE1-OE1 3.35Å; H56-E65 PolarHBondContact CE1-OE1 3.49Å; H56-E65 IonicContact CE1-OE2 2.78Å; H56-E65 IonicContact NE2-OE1 3.03Å; H56-E65 PolarHBondContact NE2-OE1 3.18Å; H56-E65 IonicContact NE2-OE2 3.23Å; H56-E65 PolarHBondContact NE2-OE2 3.32Å
57	K	97.6	Very high	97.7	Very high	153 Å²	153	61 Å²	61	67%	0.665	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-19.9	174.4	-79.6	173	-176.8	166.6	0	113.9	E53 Q55 G59	E53-K57 WeakPolarHBondContact O-CB 3.49Å; E53-K57 VanDerWaalsContact O-CG 3.29Å; E53-K57 WeakPolarHBondContact O-CG 3.49Å; E53-K57 PolarHBondContact O-N 2.9Å; E53-K57 WeakPolarHBondContact OE1-CE 3.41Å; E53-K57 IonicContact OE1-NZ 2.67Å; E53-K57 PolarHBondContact OE1-NZ 3.41Å; E53-K57 IonicContact OE2-NZ 3.96Å; Q55-K57 VanDerWaalsContact C-N 3.35Å; Q55-K57 PolarHBondContact O-N 3.24Å; K57-G59 VanDerWaalsContact C-N 3.33Å
58	R	95.8	Very high	97.8	Very high	145 Å²	145	67.3 Å²	67.3	55%	0.547	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	6.1	174.7	-63.6	166.1	-178	170	-1.6	112.7	A54 Q55 H56 K60	A54-R58 WeakPolarHBondContact O-CG 3.47Å; Q55-R58 WeakPolarHBondContact O-CB 3.48Å; Q55-R58 PolarHBondContact O-N 3.47Å; H56-R58 PolarHBondContact O-N 3.28Å; H56-R58 VanDerWaalsContact O-N 3.11Å; R58-K60 VanDerWaalsContact C-N 3.29Å; R58-K60 HydrophobicContact CB-CD 4.27Å; R58-K60 HydrophobicContact CB-CG 4.39Å; R58-K60 PolarHBondContact O-N 3.18Å
59	G	95.9	Very high	97.9	Very high	56 Å²	56	68.9 Å²	68.9	58%	0.577	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.7	16.2	-176.7	0	0	0	0	0	114.2	H56 K57	H56-G59 PolarHBondContact O-N 3.26Å; K57-G59 VanDerWaalsContact C-N 3.33Å
60	K	98.4	Very high	98	Very high	10 Å²	10	62 Å²	62	4%	0.043	30%	0.297	C	S	.	.			trans	-107	140.3	-176.7	-63.4	172.2	69.8	-158.6	0	110.6	Q55 H56 R58 D155 L192 T215	Q55-K60 CarbonylContact C-O 3.58Å; Q55-K60 HydrophobicContact CG-CB 3.95Å; Q55-K60 PolarHBondContact O-N 3.47Å; H56-K60 PolarHBondContact CD2-O 2.9Å; R58-K60 VanDerWaalsContact C-N 3.29Å; R58-K60 HydrophobicContact CB-CD 4.27Å; R58-K60 HydrophobicContact CB-CG 4.39Å; R58-K60 PolarHBondContact O-N 3.18Å; K60-D155 VanDerWaalsContact CE-OD2 3.26Å; K60-D155 WeakPolarHBondContact CE-OD2 3.38Å; K60-D155 IonicContact NZ-OD1 2.78Å; K60-D155 PolarHBondContact NZ-OD1 3.45Å; K60-D155 IonicContact NZ-OD2 2.84Å; K60-D155 PolarHBondContact NZ-OD2 3.37Å; K60-L192 WeakPolarHBondContact CE-O 3.2Å; K60-T215 HydrophobicContact CG-CG2 4.35Å
61	L	98.4	Very high	98	Very high	39 Å²	39	53.9 Å²	53.9	20%	0.204	26%	0.264	C	S	.	.			trans	-75.5	160.8	169.3	-63.9	179.6	0	0	0	110.8	Q55 E65 R66 L69 D259 V260 L263	Q55-L61 PolarHBondContact NE2-O 3.34Å; L61-E65 HydrophobicContact CB-CB 4.1Å; L61-E65 HydrophobicContact CD2-CB 4.39Å; L61-R66 HydrophobicContact CB-CG 3.67Å; L61-R66 HydrophobicContact CD1-CG 4.34Å; L61-R66 VanDerWaalsContact O-CZ 3.28Å; L61-R66 PolarHBondContact O-NE 2.89Å; L61-R66 PolarHBondContact O-NH2 3.01Å; L61-L69 HydrophobicContact CD1-CD2 4.31Å; L61-D259 HydrophobicContact CB-CB 4.41Å; L61-D259 WeakPolarHBondContact CB-OD2 3.37Å; L61-D259 HydrophobicContact CD1-CB 3.9Å; L61-D259 HydrophobicContact CG-CB 3.95Å; L61-D259 PolarHBondContact N-OD2 3.35Å; L61-V260 HydrophobicContact CD1-CG2 4.35Å; L61-L263 HydrophobicContact CD1-CD1 4.41Å
62	T	98.6	Very high	98.1	Very high	17 Å²	17	49.4 Å²	49.4	10%	0.104	25%	0.249	C	C	.	.			trans	-74.3	163.7	167.5	64.2	0	0	0	0	110.9	I52 R64 E65 R66	I52-T62 HydrophobicContact CB-CG2 4.4Å; I52-T62 HydrophobicContact CG1-CG2 4.16Å; I52-T62 HydrophobicContact CG2-CG2 3.78Å; T62-R64 PolarHBondContact O-N 3.07Å; T62-E65 WeakPolarHBondContact CB-OE2 3.42Å; T62-E65 VanDerWaalsContact CG2-OE2 3.32Å; T62-E65 WeakPolarHBondContact CG2-OE2 3.38Å; T62-E65 PolarHBondContact N-OE2 3.43Å; T62-E65 PolarHBondContact O-N 3.01Å; T62-E65 WeakPolarHBondContact OG1-CB 3.1Å; T62-E65 WeakPolarHBondContact OG1-CG 3.47Å; T62-E65 PolarHBondContact OG1-N 3.08Å; T62-E65 PolarHBondContact OG1-OE2 3.27Å; T62-R66 WeakPolarHBondContact O-CD 3.27Å; T62-R66 WeakPolarHBondContact O-CG 3.45Å; T62-R66 PolarHBondContact O-N 3.18Å; T62-R66 VanDerWaalsContact O-N 3.07Å
63	A	98.6	Very high	98.1	Very high	2 Å²	2	52.6 Å²	52.6	2%	0.017	28%	0.281	C	S	.	.	H	α-helix	trans	-56.6	-37.1	177	0	0	0	0	0	113.3	I67 V103 S118 D120	A63-I67 WeakPolarHBondContact O-CG1 3.26Å; A63-I67 PolarHBondContact O-N 3.08Å; A63-V103 HydrophobicContact CB-CG2 4.19Å; A63-S118 VanDerWaalsContact CA-OG 3.3Å; A63-S118 WeakPolarHBondContact CA-OG 3.47Å; A63-S118 WeakPolarHBondContact CB-OG 3.25Å; A63-S118 PolarHBondContact O-OG 3.04Å; A63-D120 HydrophobicContact CB-CB 3.9Å
64	R	98.3	Very high	98.1	Very high	43 Å²	43	51.8 Å²	51.8	16%	0.162	30%	0.3	C	S	.	.	H	α-helix	trans	-77.3	-41.3	-178.1	-66	179.8	179.3	-73.1	-11.1	112.2	I43 T62 R66 I67 E68 E78 V103	I43-R64 PolarHBondContact O-NE 3.38Å; I43-R64 PolarHBondContact O-NH2 3.15Å; T62-R64 PolarHBondContact O-N 3.07Å; R64-R66 VanDerWaalsContact C-N 3.28Å; R64-R66 PolarHBondContact O-N 3.24Å; R64-I67 PolarHBondContact O-N 3.46Å; R64-E68 PolarHBondContact O-N 3.16Å; R64-E78 IonicContact CZ-OE1 3.57Å; R64-E78 IonicContact CZ-OE2 3.45Å; R64-E78 VanDerWaalsContact NH1-CD 3.25Å; R64-E78 IonicContact NH1-OE1 2.74Å; R64-E78 PolarHBondContact NH1-OE1 2.9Å; R64-E78 IonicContact NH1-OE2 2.99Å; R64-E78 PolarHBondContact NH1-OE2 3.09Å; R64-E78 IonicContact NH2-OE1 3.68Å; R64-E78 PolarHBondContact NH2-OE1 3.28Å; R64-E78 IonicContact NH2-OE2 2.75Å; R64-V103 HydrophobicContact CG-CG2 4.01Å
65	E	98.4	Very high	98.1	Very high	63 Å²	63	51.6 Å²	51.6	29%	0.294	30%	0.295	S	S	.	.	H	α-helix	trans	-60.4	-39.1	174.4	-72	163.1	152.5	0	0	111.5	H56 L61 T62 I67 E68 L69	H56-E65 IonicContact CD2-OE2 2.81Å; H56-E65 IonicContact CE1-OE1 3.35Å; H56-E65 PolarHBondContact CE1-OE1 3.49Å; H56-E65 IonicContact CE1-OE2 2.78Å; H56-E65 IonicContact NE2-OE1 3.03Å; H56-E65 PolarHBondContact NE2-OE1 3.18Å; H56-E65 IonicContact NE2-OE2 3.23Å; H56-E65 PolarHBondContact NE2-OE2 3.32Å; L61-E65 HydrophobicContact CB-CB 4.1Å; L61-E65 HydrophobicContact CD2-CB 4.39Å; T62-E65 WeakPolarHBondContact CB-OE2 3.42Å; T62-E65 VanDerWaalsContact CG2-OE2 3.32Å; T62-E65 WeakPolarHBondContact CG2-OE2 3.38Å; T62-E65 PolarHBondContact N-OE2 3.43Å; T62-E65 PolarHBondContact O-N 3.01Å; T62-E65 WeakPolarHBondContact OG1-CB 3.1Å; T62-E65 WeakPolarHBondContact OG1-CG 3.47Å; T62-E65 PolarHBondContact OG1-N 3.08Å; T62-E65 PolarHBondContact OG1-OE2 3.27Å; E65-I67 VanDerWaalsContact C-N 3.35Å; E65-I67 PolarHBondContact O-N 3.26Å; E65-E68 PolarHBondContact O-N 2.81Å; E65-L69 PolarHBondContact O-N 3.41Å
66	R	98.7	Very high	98.1	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-61.8	-41.8	175.4	-68.8	164.1	169.3	171.4	-0.1	112.4	L61 T62 R64 L70 L153 D155 L192 D259 L263	L61-R66 HydrophobicContact CB-CG 3.67Å; L61-R66 HydrophobicContact CD1-CG 4.34Å; L61-R66 VanDerWaalsContact O-CZ 3.28Å; L61-R66 PolarHBondContact O-NE 2.89Å; L61-R66 PolarHBondContact O-NH2 3.01Å; T62-R66 WeakPolarHBondContact O-CD 3.27Å; T62-R66 WeakPolarHBondContact O-CG 3.45Å; T62-R66 PolarHBondContact O-N 3.18Å; T62-R66 VanDerWaalsContact O-N 3.07Å; R64-R66 VanDerWaalsContact C-N 3.28Å; R64-R66 PolarHBondContact O-N 3.24Å; R66-L70 WeakPolarHBondContact O-CB 3.5Å; R66-L70 PolarHBondContact O-N 2.96Å; R66-L153 HydrophobicContact CB-CD1 3.89Å; R66-D155 IonicContact CZ-OD2 2.81Å; R66-D155 IonicContact NH1-OD2 3.88Å; R66-D155 PolarHBondContact NH1-OD2 3.04Å; R66-D155 IonicContact NH2-OD2 3.69Å; R66-L192 VanDerWaalsContact CD-CD1 3.47Å; R66-L192 HydrophobicContact CG-CD1 4.08Å; R66-L192 VanDerWaalsContact NH2-CB 3.34Å; R66-L192 PolarHBondContact NH2-O 3.07Å; R66-D259 IonicContact CZ-OD2 3.62Å; R66-D259 VanDerWaalsContact CZ-OD2 3.23Å; R66-D259 IonicContact NE-OD2 2.82Å; R66-D259 PolarHBondContact NE-OD2 3.29Å; R66-D259 IonicContact NH2-OD1 2.77Å; R66-D259 IonicContact NH2-OD2 3.58Å; R66-D259 PolarHBondContact NH2-OD2 3.39Å; R66-L263 HydrophobicContact CB-CD1 3.9Å; R66-L263 HydrophobicContact CG-CD1 4Å
67	I	98.7	Very high	98.2	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.021	31%	0.309	C	S	.	.	H	α-helix	trans	-65.8	-44.8	176.4	-68.5	169.4	0	0	0	110.7	A63 R64 E65 L69 L70 A71 F76 V103 L116 L153	A63-I67 WeakPolarHBondContact O-CG1 3.26Å; A63-I67 PolarHBondContact O-N 3.08Å; R64-I67 PolarHBondContact O-N 3.46Å; E65-I67 VanDerWaalsContact C-N 3.35Å; E65-I67 PolarHBondContact O-N 3.26Å; I67-L69 VanDerWaalsContact C-N 3.28Å; I67-L69 PolarHBondContact O-N 3.3Å; I67-L70 PolarHBondContact O-N 3.1Å; I67-A71 WeakPolarHBondContact O-CB 3.04Å; I67-A71 PolarHBondContact O-N 2.75Å; I67-F76 HydrophobicContact CD1-CE1 4.42Å; I67-F76 HydrophobicContact CD1-CE2 4.36Å; I67-F76 HydrophobicContact CD1-CZ 4Å; I67-F76 HydrophobicContact CG2-CB 4.15Å; I67-F76 HydrophobicContact CG2-CD1 3.79Å; I67-F76 HydrophobicContact CG2-CD2 3.53Å; I67-F76 HydrophobicContact CG2-CE1 4.04Å; I67-F76 HydrophobicContact CG2-CE2 3.8Å; I67-F76 HydrophobicContact CG2-CG 3.53Å; I67-F76 HydrophobicContact CG2-CZ 4.06Å; I67-V103 HydrophobicContact CD1-CB 3.79Å; I67-V103 HydrophobicContact CD1-CG1 3.46Å; I67-V103 VanDerWaalsContact CD1-CG1 3.46Å; I67-L116 HydrophobicContact CD1-CD1 3.58Å; I67-L116 HydrophobicContact CG1-CD1 3.59Å; I67-L116 HydrophobicContact CG2-CD1 4.17Å; I67-L116 HydrophobicContact CG2-CD2 4.2Å; I67-L153 HydrophobicContact CG1-CD1 4.41Å
68	E	98.2	Very high	98.2	Very high	151 Å²	151	49.5 Å²	49.5	71%	0.706	29%	0.289	S	S	*	.	H	α-helix	trans	-59.7	-39.7	179.2	-176.2	171.8	-168.3	0	0	111.9	R64 E65	R64-E68 PolarHBondContact O-N 3.16Å; E65-E68 PolarHBondContact O-N 2.81Å
69	L	98.3	Very high	98.3	Very high	57 Å²	57	44.6 Å²	44.6	30%	0.298	27%	0.271	S	S	.	.	H	α-helix	trans	-73.3	-35.4	177.7	-171.5	64.5	0	0	0	113.1	L61 E65 I67 V260 L263 L264	L61-L69 HydrophobicContact CD1-CD2 4.31Å; E65-L69 PolarHBondContact O-N 3.41Å; I67-L69 VanDerWaalsContact C-N 3.28Å; I67-L69 PolarHBondContact O-N 3.3Å; L69-V260 HydrophobicContact CD2-CB 4.12Å; L69-V260 HydrophobicContact CD2-CG1 4.1Å; L69-V260 HydrophobicContact CD2-CG2 3.96Å; L69-L263 HydrophobicContact CB-CD1 4.19Å; L69-L263 HydrophobicContact CD2-CB 3.98Å; L69-L263 HydrophobicContact CD2-CD1 3.85Å; L69-L263 HydrophobicContact CG-CB 4.24Å; L69-L263 HydrophobicContact CG-CD1 4.4Å; L69-L264 HydrophobicContact CD1-CD2 4.44Å
70	L	98.7	Very high	98.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-73	-42.3	177.3	180	59.3	0	0	0	112.1	R66 I67 V109 L116 V151 L153 L263 L266 R267	R66-L70 WeakPolarHBondContact O-CB 3.5Å; R66-L70 PolarHBondContact O-N 2.96Å; I67-L70 PolarHBondContact O-N 3.1Å; L70-V109 HydrophobicContact CD1-CG2 4.36Å; L70-V109 HydrophobicContact CG-CG2 4.29Å; L70-L116 HydrophobicContact CD2-CD2 4.21Å; L70-V151 HydrophobicContact CD2-CB 4.4Å; L70-V151 HydrophobicContact CD2-CG1 3.92Å; L70-L153 HydrophobicContact CD2-CD1 4.45Å; L70-L153 HydrophobicContact CD2-CD2 4.47Å; L70-L263 HydrophobicContact CB-CD2 4.16Å; L70-L266 HydrophobicContact CD1-CB 4.49Å; L70-L266 HydrophobicContact CD1-CD2 3.98Å; L70-L266 HydrophobicContact CD1-CG 4.11Å; L70-L266 HydrophobicContact CD2-CD2 4.34Å; L70-R267 HydrophobicContact CD1-CG 3.86Å; L70-R267 PolarHBondContact O-NH1 3.05Å
71	A	98.7	Very high	98.4	Very high	9 Å²	9	44.1 Å²	44.1	7%	0.074	26%	0.257	C	S	.	.	S	Bend	trans	-77	151.3	-174.5	0	0	0	0	0	112.3	I67 F76 C107	I67-A71 WeakPolarHBondContact O-CB 3.04Å; I67-A71 PolarHBondContact O-N 2.75Å; A71-F76 HydrophobicContact CB-CB 4.39Å; A71-C107 HydrophobicContact CB-CB 3.56Å
72	D	98.8	Very high	98.3	Very high	30 Å²	30	46.8 Å²	46.8	16%	0.16	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-63.8	139	163.3	-62.7	-18.2	0	0	0	109.1	G74 T75 Q108 N110 G111 R267	D72-G74 PolarHBondContact O-N 3.4Å; D72-T75 HydrophobicContact CB-CG2 3.73Å; D72-T75 WeakPolarHBondContact O-CB 3.24Å; D72-T75 WeakPolarHBondContact O-CG2 3.41Å; D72-T75 PolarHBondContact O-N 3.02Å; D72-T75 PolarHBondContact O-OG1 3.17Å; D72-Q108 HydrophobicContact CB-CB 4.34Å; D72-Q108 PolarHBondContact N-O 3.44Å; D72-N110 PolarHBondContact OD1-N 2.94Å; D72-N110 PolarHBondContact OD2-N 3.33Å; D72-G111 PolarHBondContact OD2-N 2.89Å; D72-R267 IonicContact OD1-CZ 3.57Å; D72-R267 VanDerWaalsContact OD1-CZ 3.27Å; D72-R267 IonicContact OD1-NH1 2.72Å; D72-R267 PolarHBondContact OD1-NH1 3.38Å; D72-R267 IonicContact OD1-NH2 3.09Å; D72-R267 PolarHBondContact OD1-NH2 2.72Å
73	A	98.3	Very high	98.2	Very high	104 Å²	104	48.1 Å²	48.1	86%	0.86	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	126.6	-173.4	0	0	0	0	0	112	T75	A73-T75 VanDerWaalsContact C-N 3.27Å; A73-T75 PolarHBondContact O-N 3.37Å
74	G	97.4	Very high	98.1	Very high	86 Å²	86	52 Å²	52	89%	0.887	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.5	5.6	178	0	0	0	0	0	116	D72	D72-G74 PolarHBondContact O-N 3.4Å
75	T	98.7	Very high	97.9	Very high	34 Å²	34	50 Å²	50	21%	0.209	29%	0.286	C	S	.	.			trans	-94.4	-15	-177	68.6	0	0	0	0	114.6	D72 A73 I77 Q108	D72-T75 HydrophobicContact CB-CG2 3.73Å; D72-T75 WeakPolarHBondContact O-CB 3.24Å; D72-T75 WeakPolarHBondContact O-CG2 3.41Å; D72-T75 PolarHBondContact O-N 3.02Å; D72-T75 PolarHBondContact O-OG1 3.17Å; A73-T75 VanDerWaalsContact C-N 3.27Å; A73-T75 PolarHBondContact O-N 3.37Å; T75-I77 PolarHBondContact O-N 3.25Å; T75-Q108 HydrophobicContact CG2-CB 4.1Å; T75-Q108 HydrophobicContact CG2-CG 4.35Å; T75-Q108 PolarHBondContact OG1-N 2.77Å
76	F	98.7	Very high	97.7	Very high	51 Å²	51	51.4 Å²	51.4	22%	0.224	30%	0.296	C	S	.	.			trans	-69.8	125.6	-178.9	179.6	-117.2	0	0	0	111.6	I67 A71 E78 V103 R106 C107 L116	I67-F76 HydrophobicContact CD1-CE1 4.42Å; I67-F76 HydrophobicContact CD1-CE2 4.36Å; I67-F76 HydrophobicContact CD1-CZ 4Å; I67-F76 HydrophobicContact CG2-CB 4.15Å; I67-F76 HydrophobicContact CG2-CD1 3.79Å; I67-F76 HydrophobicContact CG2-CD2 3.53Å; I67-F76 HydrophobicContact CG2-CE1 4.04Å; I67-F76 HydrophobicContact CG2-CE2 3.8Å; I67-F76 HydrophobicContact CG2-CG 3.53Å; I67-F76 HydrophobicContact CG2-CZ 4.06Å; A71-F76 HydrophobicContact CB-CB 4.39Å; F76-E78 HydrophobicContact CE1-CB 3.65Å; F76-E78 HydrophobicContact CE1-CG 4.13Å; F76-E78 HydrophobicContact CZ-CB 3.88Å; F76-E78 HydrophobicContact CZ-CG 4.14Å; F76-V103 HydrophobicContact CE1-CG1 4.12Å; F76-V103 HydrophobicContact CZ-CG1 3.87Å; F76-R106 WeakPolarHBondContact CA-O 3.2Å; F76-R106 WeakPolarHBondContact CD2-O 3.48Å; F76-C107 HydrophobicContact CB-CB 4.23Å; F76-C107 HydrophobicContact CD2-CB 4.26Å; F76-L116 HydrophobicContact CD2-CD1 4.47Å; F76-L116 HydrophobicContact CE2-CD1 3.8Å; F76-L116 HydrophobicContact CE2-CG 4.38Å; F76-L116 HydrophobicContact CZ-CD1 4.49Å
77	I	98.6	Very high	97.5	Very high	85 Å²	85	51.7 Å²	51.7	44%	0.436	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	108.9	174.1	-54.3	-61.5	0	0	0	108.1	T75 Y79 G105 R106	T75-I77 PolarHBondContact O-N 3.25Å; I77-Y79 HydrophobicContact CG2-CD1 4.42Å; I77-Y79 HydrophobicContact CG2-CE1 3.85Å; I77-G105 VanDerWaalsContact O-CA 3.24Å; I77-G105 WeakPolarHBondContact O-CA 3.34Å; I77-R106 HydrophobicContact CB-CG 4.32Å; I77-R106 PolarHBondContact N-O 2.53Å; I77-R106 PolarHBondContact O-N 2.77Å; I77-R106 VanDerWaalsContact O-N 3.17Å
78	E	98.5	Very high	97.3	Very high	53 Å²	53	57.3 Å²	57.3	25%	0.248	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	139	-179.9	-168.5	175.6	-179.7	0	0	112.2	R64 F76 A81 V103	R64-E78 IonicContact CZ-OE1 3.57Å; R64-E78 IonicContact CZ-OE2 3.45Å; R64-E78 VanDerWaalsContact NH1-CD 3.25Å; R64-E78 IonicContact NH1-OE1 2.74Å; R64-E78 PolarHBondContact NH1-OE1 2.9Å; R64-E78 IonicContact NH1-OE2 2.99Å; R64-E78 PolarHBondContact NH1-OE2 3.09Å; R64-E78 IonicContact NH2-OE1 3.68Å; R64-E78 PolarHBondContact NH2-OE1 3.28Å; R64-E78 IonicContact NH2-OE2 2.75Å; F76-E78 HydrophobicContact CE1-CB 3.65Å; F76-E78 HydrophobicContact CE1-CG 4.13Å; F76-E78 HydrophobicContact CZ-CB 3.88Å; F76-E78 HydrophobicContact CZ-CG 4.14Å; E78-A81 HydrophobicContact CG-CB 4.06Å; E78-V103 HydrophobicContact CG-CG1 4.18Å
79	Y	98.5	Very high	97.1	Very high	43 Å²	43	55.3 Å²	55.3	17%	0.169	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	148.3	173	-56.9	-27.3	0	0	0	111.1	I77 A81 T104 R106 Y115 V139	I77-Y79 HydrophobicContact CG2-CD1 4.42Å; I77-Y79 HydrophobicContact CG2-CE1 3.85Å; Y79-A81 PolarHBondContact O-N 3Å; Y79-A81 VanDerWaalsContact O-N 3.16Å; Y79-T104 PolarHBondContact N-O 2.89Å; Y79-T104 PolarHBondContact O-OG1 3.01Å; Y79-R106 WeakPolarHBondContact OH-CD 3.36Å; Y79-R106 WeakPolarHBondContact OH-CG 3.45Å; Y79-R106 PolarHBondContact OH-NE 3.26Å; Y79-R106 VanDerWaalsContact OH-NE 3.07Å; Y79-Y115 HydrophobicContact CE2-CE1 4.19Å; Y79-V139 HydrophobicContact CD2-CG1 3.99Å
80	D	97.8	Very high	97	Very high	41 Å²	41	60 Å²	60	22%	0.219	33%	0.332	C	S	.	.	S	Bend	trans	54.5	36.6	172.5	-58	-29.5	0	0	0	113	F82 V83 K135 K138	D80-F82 PolarHBondContact O-N 2.94Å; D80-V83 HydrophobicContact CB-CG1 3.73Å; D80-V83 HydrophobicContact CB-CG2 4.09Å; D80-V83 WeakPolarHBondContact O-CG2 3.19Å; D80-V83 PolarHBondContact O-N 2.69Å; D80-K135 HydrophobicContact CB-CD 4.01Å; D80-K135 HydrophobicContact CB-CG 3.84Å; D80-K135 PolarHBondContact O-NZ 2.88Å; D80-K138 IonicContact OD1-NZ 3.25Å; D80-K138 PolarHBondContact OD1-NZ 3.09Å; D80-K138 WeakPolarHBondContact OD2-CD 3.46Å; D80-K138 VanDerWaalsContact OD2-CE 3.28Å; D80-K138 WeakPolarHBondContact OD2-CE 3.48Å; D80-K138 IonicContact OD2-NZ 3.13Å; D80-K138 PolarHBondContact OD2-NZ 3.23Å
81	A	97.7	Very high	96.7	Very high	14 Å²	14	64.5 Å²	64.5	12%	0.116	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-25.1	179.6	0	0	0	0	0	112.8	I43 E78 Y79 C99	I43-A81 HydrophobicContact CD1-CB 4.08Å; I43-A81 WeakPolarHBondContact CD1-O 3.3Å; I43-A81 VanDerWaalsContact CG1-O 3.32Å; I43-A81 WeakPolarHBondContact CG1-O 3.42Å; I43-A81 HydrophobicContact CG2-CB 4.26Å; E78-A81 HydrophobicContact CG-CB 4.06Å; Y79-A81 PolarHBondContact O-N 3Å; Y79-A81 VanDerWaalsContact O-N 3.16Å; A81-C99 VanDerWaalsContact O-CA 3.27Å; A81-C99 WeakPolarHBondContact O-CA 3.33Å; A81-C99 WeakPolarHBondContact O-CB 3.43Å; A81-C99 PolarHBondContact O-N 3.01Å
82	F	97.2	Very high	96.5	Very high	95 Å²	95	64.7 Å²	64.7	42%	0.417	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-1.2	-175.7	-67.3	-93.4	0	0	0	114	I36 T39 R40 I43 D80	I36-F82 HydrophobicContact CG2-CZ 4.36Å; T39-F82 HydrophobicContact CG2-CD1 3.55Å; T39-F82 HydrophobicContact CG2-CE1 3.66Å; R40-F82 HydrophobicContact CG-CE1 4.37Å; R40-F82 HydrophobicContact CG-CZ 3.72Å; I43-F82 HydrophobicContact CD1-CD1 3.82Å; I43-F82 HydrophobicContact CD1-CD2 4.26Å; I43-F82 HydrophobicContact CD1-CE1 3.87Å; I43-F82 HydrophobicContact CD1-CE2 4.29Å; I43-F82 HydrophobicContact CD1-CG 4.03Å; I43-F82 HydrophobicContact CD1-CZ 4.11Å; D80-F82 PolarHBondContact O-N 2.94Å
83	V	96.4	Very high	96.3	Very high	46 Å²	46	66.9 Å²	66.9	28%	0.279	37%	0.365	S	S	.	.			trans	-72.8	147.8	-178.4	-53.5	0	0	0	0	110.3	D80 P98 C99 V131 K135	D80-V83 HydrophobicContact CB-CG1 3.73Å; D80-V83 HydrophobicContact CB-CG2 4.09Å; D80-V83 WeakPolarHBondContact O-CG2 3.19Å; D80-V83 PolarHBondContact O-N 2.69Å; V83-P98 CarbonylContact O-C 3.48Å; V83-C99 WeakPolarHBondContact O-CA 3.46Å; V83-C99 PolarHBondContact O-N 3.07Å; V83-V131 HydrophobicContact CB-CG1 4.03Å; V83-V131 HydrophobicContact CG2-CG1 3.42Å; V83-V131 VanDerWaalsContact CG2-CG1 3.42Å; V83-K135 HydrophobicContact CG2-CD 3.63Å; V83-K135 HydrophobicContact CG2-CG 4.14Å
84	E	95.5	Very high	96.1	Very high	84 Å²	84	69 Å²	69	39%	0.393	36%	0.355	S	S	.	.			trans	-130	154.9	177.9	-65.6	176.9	160.7	0	0	108.4	K96	E84-K96 HydrophobicContact CB-CB 4.41Å; E84-K96 HydrophobicContact CB-CD 4.31Å; E84-K96 HydrophobicContact CG-CB 4.31Å; E84-K96 VanDerWaalsContact OE2-CD 3.28Å; E84-K96 WeakPolarHBondContact OE2-CD 3.32Å
85	H	95.2	Very high	95.8	Very high	1 Å²	1	70.6 Å²	70.6	1%	0.005	34%	0.339	C	S	.	.			trans	-67.8	155.3	171.3	73.1	76.5	0	0	0	111.5	C87 M92 Q95 K96 D100	H85-C87 PolarHBondContact ND1-N 2.87Å; H85-M92 PolarHBondContact CE1-O 3.22Å; H85-M92 VanDerWaalsContact CE1-O 3.26Å; H85-Q95 PolarHBondContact NE2-O 2.97Å; H85-K96 PolarHBondContact O-NZ 2.87Å; H85-D100 IonicContact CD2-OD1 3.69Å
86	D	92.7	Very high	95.5	Very high	92 Å²	92	73 Å²	73	49%	0.492	35%	0.347	S	S	.	.			trans	-107.7	6.1	177.2	59.1	-8.6	0	0	0	113.1	H88	D86-H88 PolarHBondContact O-CD2 2.93Å; D86-H88 PolarHBondContact O-N 2.81Å
87	C	94.9	Very high	95.3	Very high	6 Å²	6	72.3 Å²	72.3	4%	0.041	35%	0.345	C	S	.	.			trans	-59.5	129.8	174.8	-176.1	0	0	0	0	113	H85 E89 M92 H93 E163	H85-C87 PolarHBondContact ND1-N 2.87Å; C87-E89 PolarHBondContact SG-OE2 2.83Å; C87-M92 HydrophobicContact CB-CB 3.97Å; C87-M92 HydrophobicContact CB-CG 4.43Å; C87-M92 WeakPolarHBondContact O-CB 3.31Å; C87-H93 PolarHBondContact O-N 2.85Å; C87-E163 HydrophobicContact CB-CG 3.64Å
88	H	93.9	Very high	95.2	Very high	122 Å²	122	68.9 Å²	68.9	57%	0.565	33%	0.328	S	S	*	.			trans	-107.4	-23.3	178.3	-76.8	-88.6	0	0	0	112.9	D86 H93	D86-H88 PolarHBondContact O-CD2 2.93Å; D86-H88 PolarHBondContact O-N 2.81Å; H88-H93 PolarHBondContact O-ND1 2.78Å; H88-H93 VanDerWaalsContact O-ND1 3.15Å
89	E	94.8	Very high	95	Very high	108 Å²	108	66.6 Å²	66.6	51%	0.505	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-59.1	150.9	-179.7	-64.6	68.7	-154.4	0	0	111.3	C87 N91 M92	C87-E89 PolarHBondContact SG-OE2 2.83Å; E89-N91 PolarHBondContact O-N 3.06Å; E89-M92 WeakPolarHBondContact O-CB 3.31Å; E89-M92 VanDerWaalsContact O-CG 3.31Å; E89-M92 WeakPolarHBondContact O-CG 3.36Å; E89-M92 PolarHBondContact O-N 3.15Å
90	F	95.5	Very high	95	Very high	156 Å²	156	64.7 Å²	64.7	68%	0.684	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	50.9	30	176.4	-50.4	-74.4	0	0	0	114.8	M92 Q162	F90-M92 VanDerWaalsContact C-N 3.26Å; F90-M92 PolarHBondContact O-N 3.07Å; F90-Q162 HydrophobicContact CB-CG 4.12Å; F90-Q162 HydrophobicContact CD2-CB 3.86Å; F90-Q162 HydrophobicContact CD2-CG 4.07Å; F90-Q162 HydrophobicContact CG-CG 4.38Å
91	N	93.7	Very high	94.9	Very high	95 Å²	95	62.7 Å²	62.7	51%	0.508	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	64.5	18.5	-175.7	-57.7	-76	0	0	0	115.5	E89 H93 K94	E89-N91 PolarHBondContact O-N 3.06Å; N91-H93 PolarHBondContact O-N 3.06Å; N91-H93 VanDerWaalsContact O-N 3.17Å; N91-K94 HydrophobicContact CB-CD 4.25Å; N91-K94 WeakPolarHBondContact O-CB 3.45Å; N91-K94 PolarHBondContact O-N 2.84Å; N91-K94 PolarHBondContact OD1-NZ 3.4Å
92	M	94.6	Very high	95	Very high	12 Å²	12	62 Å²	62	6%	0.059	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-56.5	-33.8	179.5	-76.7	-64	-60.6	0	0	112.5	H85 C87 E89 F90 K94 Q95 F124 Q162	H85-M92 PolarHBondContact CE1-O 3.22Å; H85-M92 VanDerWaalsContact CE1-O 3.26Å; C87-M92 HydrophobicContact CB-CB 3.97Å; C87-M92 HydrophobicContact CB-CG 4.43Å; C87-M92 WeakPolarHBondContact O-CB 3.31Å; E89-M92 WeakPolarHBondContact O-CB 3.31Å; E89-M92 VanDerWaalsContact O-CG 3.31Å; E89-M92 WeakPolarHBondContact O-CG 3.36Å; E89-M92 PolarHBondContact O-N 3.15Å; F90-M92 VanDerWaalsContact C-N 3.26Å; F90-M92 PolarHBondContact O-N 3.07Å; M92-K94 PolarHBondContact O-N 2.85Å; M92-Q95 CarbonylContact O-C 3.52Å; M92-Q95 PolarHBondContact O-N 3.44Å; M92-F124 HydrophobicContact CE-CD1 4.19Å; M92-F124 HydrophobicContact CE-CE1 3.86Å; M92-F124 HydrophobicContact CE-CE2 4.45Å; M92-F124 HydrophobicContact CE-CZ 4.02Å; M92-Q162 HydrophobicContact CG-CB 3.69Å; M92-Q162 HydrophobicContact CG-CG 4.02Å; M92-Q162 HydrophobicContact SD-CB 4.11Å; M92-Q162 HydrophobicContact SD-CG 3.97Å
93	H	92.7	Very high	95.1	Very high	77 Å²	77	57.6 Å²	57.6	36%	0.356	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-56.7	-18.9	176.7	65.9	-86.8	0	0	0	114.8	C87 H88 N91	C87-H93 PolarHBondContact O-N 2.85Å; H88-H93 PolarHBondContact O-ND1 2.78Å; H88-H93 VanDerWaalsContact O-ND1 3.15Å; N91-H93 PolarHBondContact O-N 3.06Å; N91-H93 VanDerWaalsContact O-N 3.17Å
94	K	94.3	Very high	95.2	Very high	148 Å²	148	55.4 Å²	55.4	64%	0.643	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-83	-15.7	176.7	-60.5	-174.7	-178.5	169.5	0	113.4	N91 M92	N91-K94 HydrophobicContact CB-CD 4.25Å; N91-K94 WeakPolarHBondContact O-CB 3.45Å; N91-K94 PolarHBondContact O-N 2.84Å; N91-K94 PolarHBondContact OD1-NZ 3.4Å; M92-K94 PolarHBondContact O-N 2.85Å
95	Q	92.6	Very high	95.3	Very high	119 Å²	119	51.4 Å²	51.4	56%	0.556	24%	0.243	S	C	*	.			trans	-123.6	78	-179.3	-68.2	-173.8	4.6	0	0	109.1	H85 M92 F124	H85-Q95 PolarHBondContact NE2-O 2.97Å; M92-Q95 CarbonylContact O-C 3.52Å; M92-Q95 PolarHBondContact O-N 3.44Å; Q95-F124 HydrophobicContact CB-CE1 4.28Å; Q95-F124 HydrophobicContact CB-CZ 4.33Å; Q95-F124 WeakPolarHBondContact O-CZ 3.32Å
96	K	92.4	Very high	95.5	Very high	86 Å²	86	57 Å²	57	37%	0.374	26%	0.264	S	S	.	.			trans	-95.8	116.6	172.1	-64.3	-164.2	176.1	-158.9	0	109.7	E84 H85	E84-K96 HydrophobicContact CB-CB 4.41Å; E84-K96 HydrophobicContact CB-CD 4.31Å; E84-K96 HydrophobicContact CG-CB 4.31Å; E84-K96 VanDerWaalsContact OE2-CD 3.28Å; E84-K96 WeakPolarHBondContact OE2-CD 3.32Å; H85-K96 PolarHBondContact O-NZ 2.87Å
97	I	94.8	Very high	95.8	Very high	36 Å²	36	52.9 Å²	52.9	19%	0.185	24%	0.243	C	C	.	.			trans	-108.3	116.7	175	-59.5	174.6	0	0	0	106.5	D100 V123 F124	I97-D100 PolarHBondContact O-N 2.68Å; I97-V123 HydrophobicContact CB-CG1 4.19Å; I97-V123 HydrophobicContact CD1-CG1 4.07Å; I97-V123 HydrophobicContact CG2-CG1 4.08Å; I97-V123 HydrophobicContact CG2-CG2 4.06Å; I97-F124 HydrophobicContact CB-CE2 4.37Å; I97-F124 HydrophobicContact CD1-CE2 4.1Å; I97-F124 HydrophobicContact CD1-CZ 3.93Å; I97-F124 HydrophobicContact CG1-CE2 4.36Å; I97-F124 HydrophobicContact CG1-CZ 4.19Å
98	P	95	Very high	96	Very high	13 Å²	13	56.9 Å²	56.9	8%	0.084	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	153.5	173.7	-26.5	34.8	0	0	0	111.6	T39 I43 V83 D100	T39-P98 HydrophobicContact CG2-CB 4.37Å; T39-P98 HydrophobicContact CG2-CG 4.06Å; I43-P98 HydrophobicContact CD1-CB 4.2Å; I43-P98 HydrophobicContact CG1-CB 3.55Å; I43-P98 HydrophobicContact CG1-CG 4.46Å; V83-P98 CarbonylContact O-C 3.48Å; P98-D100 PolarHBondContact O-N 2.94Å
99	C	95.5	Very high	96.2	Very high	4 Å²	4	51.2 Å²	51.2	3%	0.027	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	-20.7	-172.8	-167	0	0	0	0	113.6	I43 A81 V83 V102 K135	I43-C99 HydrophobicContact CG2-CB 4.44Å; A81-C99 VanDerWaalsContact O-CA 3.27Å; A81-C99 WeakPolarHBondContact O-CA 3.33Å; A81-C99 WeakPolarHBondContact O-CB 3.43Å; A81-C99 PolarHBondContact O-N 3.01Å; V83-C99 WeakPolarHBondContact O-CA 3.46Å; V83-C99 PolarHBondContact O-N 3.07Å; C99-V102 PolarHBondContact SG-O 3.05Å; C99-K135 PolarHBondContact O-NZ 2.84Å; C99-K135 PolarHBondContact SG-NZ 3.36Å
100	D	96.9	Very high	96.3	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.016	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	-157.3	-165.2	-161.3	51.6	0	0	0	111.2	H85 I97 P98 V102 S129 V131 R160	H85-D100 IonicContact CD2-OD1 3.69Å; I97-D100 PolarHBondContact O-N 2.68Å; P98-D100 PolarHBondContact O-N 2.94Å; D100-V102 VanDerWaalsContact C-N 3.26Å; D100-V102 PolarHBondContact O-N 2.9Å; D100-S129 WeakPolarHBondContact OD2-CB 3.36Å; D100-S129 PolarHBondContact OD2-OG 3.1Å; D100-V131 HydrophobicContact CB-CG1 4.34Å; D100-R160 VanDerWaalsContact CG-NH2 3.29Å; D100-R160 IonicContact OD1-CZ 3.32Å; D100-R160 VanDerWaalsContact OD1-CZ 3.32Å; D100-R160 IonicContact OD1-NH1 2.87Å; D100-R160 PolarHBondContact OD1-NH1 3.49Å; D100-R160 IonicContact OD1-NH2 3.28Å; D100-R160 PolarHBondContact OD1-NH2 3.38Å; D100-R160 IonicContact OD2-CZ 3.13Å; D100-R160 IonicContact OD2-NH1 2.88Å; D100-R160 IonicContact OD2-NH2 3.89Å; D100-R160 PolarHBondContact OD2-NH2 3.42Å
101	S	97.3	Very high	96.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	21.4	-169.4	54.8	0	0	0	0	115.2	D120 V123 S127 H132 R160	S101-D120 PolarHBondContact O-N 3.41Å; S101-V123 VanDerWaalsContact CB-O 3.25Å; S101-V123 WeakPolarHBondContact CB-O 3.42Å; S101-S127 PolarHBondContact OG-O 3.1Å; S101-H132 PolarHBondContact OG-ND1 2.89Å; S101-R160 PolarHBondContact OG-NH2 2.87Å
102	V	98.6	Very high	96.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	133.2	179.5	64.3	0	0	0	0	112.6	C99 D100 T104 F117 Q119 H132 K135 I136	C99-V102 PolarHBondContact SG-O 3.05Å; D100-V102 VanDerWaalsContact C-N 3.26Å; D100-V102 PolarHBondContact O-N 2.9Å; V102-T104 HydrophobicContact CG1-CG2 4.22Å; V102-T104 HydrophobicContact CG2-CG2 3.85Å; V102-F117 HydrophobicContact CG2-CB 3.96Å; V102-Q119 HydrophobicContact CG2-CG 4.32Å; V102-H132 HydrophobicContact CG1-CB 4.04Å; V102-K135 HydrophobicContact CG1-CB 4.07Å; V102-K135 HydrophobicContact CG1-CD 3.97Å; V102-K135 VanDerWaalsContact O-CE 3.23Å; V102-K135 WeakPolarHBondContact O-CE 3.26Å; V102-K135 PolarHBondContact O-NZ 2.87Å; V102-I136 HydrophobicContact CG2-CD1 4.3Å; V102-I136 HydrophobicContact CG2-CG1 4.12Å
103	V	98.8	Very high	96.8	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	128.4	170	-175.3	0	0	0	0	108.1	A63 R64 I67 F76 E78 F117 S118	A63-V103 HydrophobicContact CB-CG2 4.19Å; R64-V103 HydrophobicContact CG-CG2 4.01Å; I67-V103 HydrophobicContact CD1-CB 3.79Å; I67-V103 HydrophobicContact CD1-CG1 3.46Å; I67-V103 VanDerWaalsContact CD1-CG1 3.46Å; F76-V103 HydrophobicContact CE1-CG1 4.12Å; F76-V103 HydrophobicContact CZ-CG1 3.87Å; E78-V103 HydrophobicContact CG-CG1 4.18Å; V103-F117 CarbonylContact O-C 3.53Å; V103-F117 VanDerWaalsContact O-CA 3.27Å; V103-F117 WeakPolarHBondContact O-CA 3.31Å; V103-S118 PolarHBondContact N-O 3.33Å; V103-S118 PolarHBondContact O-N 2.78Å
104	T	98.9	Very high	97.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	147.5	-175.4	53.3	0	0	0	0	110.9	Y79 V102 F117 K135 I136 V139	Y79-T104 PolarHBondContact N-O 2.89Å; Y79-T104 PolarHBondContact O-OG1 3.01Å; V102-T104 HydrophobicContact CG1-CG2 4.22Å; V102-T104 HydrophobicContact CG2-CG2 3.85Å; T104-F117 HydrophobicContact CG2-CB 3.75Å; T104-K135 HydrophobicContact CG2-CB 3.73Å; T104-K135 WeakPolarHBondContact OG1-CE 3.46Å; T104-I136 HydrophobicContact CG2-CG1 4.5Å; T104-V139 HydrophobicContact CG2-CG2 4.49Å
105	G	98.7	Very high	97.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.6	-157	175.4	0	0	0	0	0	113.4	I77 L116	I77-G105 VanDerWaalsContact O-CA 3.24Å; I77-G105 WeakPolarHBondContact O-CA 3.34Å; G105-L116 PolarHBondContact N-O 3.07Å; G105-L116 PolarHBondContact O-N 3.28Å
106	R	98.7	Very high	97.6	Very high	120 Å²	120	29.5 Å²	29.5	45%	0.453	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	155.5	170.5	66.7	175.5	175.9	145.8	4.6	110.5	F76 I77 Y79 V114 Y115	F76-R106 WeakPolarHBondContact CA-O 3.2Å; F76-R106 WeakPolarHBondContact CD2-O 3.48Å; I77-R106 HydrophobicContact CB-CG 4.32Å; I77-R106 PolarHBondContact N-O 2.53Å; I77-R106 PolarHBondContact O-N 2.77Å; I77-R106 VanDerWaalsContact O-N 3.17Å; Y79-R106 WeakPolarHBondContact OH-CD 3.36Å; Y79-R106 WeakPolarHBondContact OH-CG 3.45Å; Y79-R106 PolarHBondContact OH-NE 3.26Å; Y79-R106 VanDerWaalsContact OH-NE 3.07Å; R106-V114 CarbonylContact C-O 3.27Å; R106-V114 VanDerWaalsContact CA-O 3.3Å; R106-V114 WeakPolarHBondContact CA-O 3.45Å; R106-Y115 HydrophobicContact CB-CD1 4.06Å; R106-Y115 HydrophobicContact CB-CE1 4.01Å; R106-Y115 HydrophobicContact CB-CG 4.36Å
107	C	98.8	Very high	97.9	Very high	5 Å²	5	25.8 Å²	25.8	3%	0.034	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	-173.4	170.8	64.1	0	0	0	0	110.2	A71 F76 V114 L116	A71-C107 HydrophobicContact CB-CB 3.56Å; F76-C107 HydrophobicContact CB-CB 4.23Å; F76-C107 HydrophobicContact CD2-CB 4.26Å; C107-V114 PolarHBondContact N-O 2.74Å; C107-V114 PolarHBondContact O-N 3.15Å; C107-L116 VanDerWaalsContact SG-CD2 3.51Å
108	Q	98.8	Very high	98.1	Very high	89 Å²	89	24.1 Å²	24.1	42%	0.416	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	148.3	161.2	-61.6	178.1	6.8	0	0	109.6	D72 T75 R112	D72-Q108 HydrophobicContact CB-CB 4.34Å; D72-Q108 PolarHBondContact N-O 3.44Å; T75-Q108 HydrophobicContact CG2-CB 4.1Å; T75-Q108 HydrophobicContact CG2-CG 4.35Å; T75-Q108 PolarHBondContact OG1-N 2.77Å; Q108-R112 CarbonylContact C-O 3.48Å; Q108-R112 WeakPolarHBondContact CA-O 3.43Å
109	V	98.7	Very high	98.3	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.024	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	115.5	167.7	-179.6	0	0	0	0	107.3	L70 G111 R112 V114 R267 L270	L70-V109 HydrophobicContact CD1-CG2 4.36Å; L70-V109 HydrophobicContact CG-CG2 4.29Å; V109-G111 VanDerWaalsContact C-N 3.26Å; V109-G111 PolarHBondContact O-N 3.46Å; V109-R112 PolarHBondContact N-O 3.23Å; V109-R112 WeakPolarHBondContact O-CB 3.36Å; V109-R112 PolarHBondContact O-N 3.42Å; V109-R112 VanDerWaalsContact O-N 3.11Å; V109-V114 HydrophobicContact CB-CG2 4.09Å; V109-V114 HydrophobicContact CG2-CB 4.2Å; V109-V114 HydrophobicContact CG2-CG2 3.88Å; V109-R267 HydrophobicContact CG1-CB 4.08Å; V109-R267 HydrophobicContact CG1-CG 3.84Å; V109-L270 HydrophobicContact CB-CD1 4.32Å; V109-L270 HydrophobicContact CG1-CD1 4.06Å; V109-L270 HydrophobicContact CG2-CD1 4.34Å
110	N	97	Very high	98.4	Very high	79 Å²	79	24.2 Å²	24.2	42%	0.422	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	44.9	-172.4	-54.7	-41.1	0	0	0	111.7	D72 R112 R267 T271	D72-N110 PolarHBondContact OD1-N 2.94Å; D72-N110 PolarHBondContact OD2-N 3.33Å; N110-R112 PolarHBondContact O-N 3.03Å; N110-R267 PolarHBondContact ND2-O 3.39Å; N110-R267 PolarHBondContact OD1-NH2 2.86Å; N110-T271 VanDerWaalsContact ND2-CG2 3.34Å; N110-T271 WeakPolarHBondContact ND2-CG2 3.26Å
111	G	97.7	Very high	98.5	Very high	48 Å²	48	26.3 Å²	26.3	50%	0.495	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	-0.4	-179.3	0	0	0	0	0	115.2	D72 V109	D72-G111 PolarHBondContact OD2-N 2.89Å; V109-G111 VanDerWaalsContact C-N 3.26Å; V109-G111 PolarHBondContact O-N 3.46Å
112	R	98	Very high	98.5	Very high	52 Å²	52	26.5 Å²	26.5	20%	0.196	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	137	-173.6	-66.5	175.3	64.6	-154.5	-1.7	111.6	Q108 V109 N110 V114 L270 L273 P274 L275	Q108-R112 CarbonylContact C-O 3.48Å; Q108-R112 WeakPolarHBondContact CA-O 3.43Å; V109-R112 PolarHBondContact N-O 3.23Å; V109-R112 WeakPolarHBondContact O-CB 3.36Å; V109-R112 PolarHBondContact O-N 3.42Å; V109-R112 VanDerWaalsContact O-N 3.11Å; N110-R112 PolarHBondContact O-N 3.03Å; R112-V114 PolarHBondContact O-N 3.11Å; R112-L270 PolarHBondContact NH1-O 3.17Å; R112-L273 VanDerWaalsContact CZ-O 3.31Å; R112-L273 PolarHBondContact NH1-O 3.22Å; R112-L273 PolarHBondContact NH2-O 3.01Å; R112-P274 VanDerWaalsContact NH2-C 3.33Å; R112-L275 HydrophobicContact CB-CD2 4.2Å
113	P	98.4	Very high	98.5	Very high	59 Å²	59	26.6 Å²	26.6	38%	0.383	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	134.7	-175.8	28.5	-35.1	0	0	0	111.6	A148 L275	P113-A148 HydrophobicContact CB-CB 4.39Å; P113-A148 HydrophobicContact CG-CB 4.38Å; P113-L275 HydrophobicContact CG-CD1 4.02Å; P113-L275 HydrophobicContact CG-CD2 4.3Å
114	V	98.8	Very high	98.4	Very high	4 Å²	4	28.2 Å²	28.2	2%	0.024	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	136.4	174.7	175.6	0	0	0	0	109	R106 C107 V109 R112 V151 L270	R106-V114 CarbonylContact C-O 3.27Å; R106-V114 VanDerWaalsContact CA-O 3.3Å; R106-V114 WeakPolarHBondContact CA-O 3.45Å; C107-V114 PolarHBondContact N-O 2.74Å; C107-V114 PolarHBondContact O-N 3.15Å; V109-V114 HydrophobicContact CB-CG2 4.09Å; V109-V114 HydrophobicContact CG2-CB 4.2Å; V109-V114 HydrophobicContact CG2-CG2 3.88Å; R112-V114 PolarHBondContact O-N 3.11Å; V114-V151 HydrophobicContact CG1-CB 4.4Å; V114-V151 HydrophobicContact CG1-CG2 3.78Å; V114-L270 HydrophobicContact CG2-CD1 4.36Å
115	Y	98.9	Very high	98.2	Very high	16 Å²	16	29.3 Å²	29.3	6%	0.063	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	145.8	167.4	-77.2	-99.7	0	0	0	109.6	Y79 R106 V139 Q142 A143 V146 A148 P149 V150 V151	Y79-Y115 HydrophobicContact CE2-CE1 4.19Å; R106-Y115 HydrophobicContact CB-CD1 4.06Å; R106-Y115 HydrophobicContact CB-CE1 4.01Å; R106-Y115 HydrophobicContact CB-CG 4.36Å; Y115-V139 HydrophobicContact CD1-CB 4.08Å; Y115-V139 HydrophobicContact CD1-CG1 4.38Å; Y115-V139 WeakPolarHBondContact CD1-O 3.36Å; Y115-Q142 HydrophobicContact CD1-CB 4.09Å; Y115-Q142 HydrophobicContact CE1-CB 3.35Å; Y115-Q142 HydrophobicContact CE1-CG 4.4Å; Y115-A143 HydrophobicContact CD1-CB 4.47Å; Y115-A143 HydrophobicContact CD2-CB 3.71Å; Y115-A143 HydrophobicContact CE2-CB 4.47Å; Y115-A143 HydrophobicContact CG-CB 3.71Å; Y115-V146 HydrophobicContact CE2-CG2 3.62Å; Y115-A148 HydrophobicContact CD2-CB 3.98Å; Y115-A148 HydrophobicContact CE2-CB 4.16Å; Y115-P149 PolarHBondContact N-O 2.78Å; Y115-V150 CarbonylContact O-C 3.49Å; Y115-V150 VanDerWaalsContact O-CA 3.29Å; Y115-V150 WeakPolarHBondContact O-CA 3.43Å; Y115-V151 PolarHBondContact O-N 3.07Å
116	L	98.9	Very high	98.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	159.5	-178.7	64.3	81.3	0	0	0	113.4	I67 L70 F76 G105 C107 V151	I67-L116 HydrophobicContact CD1-CD1 3.58Å; I67-L116 HydrophobicContact CG1-CD1 3.59Å; I67-L116 HydrophobicContact CG2-CD1 4.17Å; I67-L116 HydrophobicContact CG2-CD2 4.2Å; L70-L116 HydrophobicContact CD2-CD2 4.21Å; F76-L116 HydrophobicContact CD2-CD1 4.47Å; F76-L116 HydrophobicContact CE2-CD1 3.8Å; F76-L116 HydrophobicContact CE2-CG 4.38Å; F76-L116 HydrophobicContact CZ-CD1 4.49Å; G105-L116 PolarHBondContact N-O 3.07Å; G105-L116 PolarHBondContact O-N 3.28Å; C107-L116 VanDerWaalsContact SG-CD2 3.51Å; L116-V151 WeakPolarHBondContact CA-O 3.44Å; L116-V151 HydrophobicContact CB-CB 4.3Å; L116-V151 WeakPolarHBondContact CB-O 3.21Å
117	F	98.9	Very high	98.1	Very high	9 Å²	9	24.1 Å²	24.1	4%	0.039	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	138.8	165.2	59.3	-90.4	0	0	0	109.6	V102 V103 T104 I136 V139 V150 V151 L153	V102-F117 HydrophobicContact CG2-CB 3.96Å; V103-F117 CarbonylContact O-C 3.53Å; V103-F117 VanDerWaalsContact O-CA 3.27Å; V103-F117 WeakPolarHBondContact O-CA 3.31Å; T104-F117 HydrophobicContact CG2-CB 3.75Å; F117-I136 HydrophobicContact CB-CG1 4.01Å; F117-I136 HydrophobicContact CD1-CG1 4.41Å; F117-I136 HydrophobicContact CD1-CG2 3.9Å; F117-I136 HydrophobicContact CD2-CD1 3.69Å; F117-I136 HydrophobicContact CD2-CG1 3.99Å; F117-I136 HydrophobicContact CE1-CG2 3.9Å; F117-I136 HydrophobicContact CE2-CD1 3.97Å; F117-I136 HydrophobicContact CG-CD1 4.13Å; F117-I136 HydrophobicContact CG-CG1 3.89Å; F117-I136 HydrophobicContact CG-CG2 4.23Å; F117-I136 HydrophobicContact CZ-CG2 4.21Å; F117-V139 HydrophobicContact CB-CG2 4.44Å; F117-V139 HydrophobicContact CD1-CG2 4.28Å; F117-V150 HydrophobicContact CD1-CG2 4.29Å; F117-V150 HydrophobicContact CE1-CG2 4.17Å; F117-V151 PolarHBondContact N-O 3.45Å; F117-L153 PolarHBondContact O-N 3.33Å
118	S	98.8	Very high	98.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	119.6	175.1	-169.1	0	0	0	0	110.3	A63 V103	A63-S118 VanDerWaalsContact CA-OG 3.3Å; A63-S118 WeakPolarHBondContact CA-OG 3.47Å; A63-S118 WeakPolarHBondContact CB-OG 3.25Å; A63-S118 PolarHBondContact O-OG 3.04Å; V103-S118 PolarHBondContact N-O 3.33Å; V103-S118 PolarHBondContact O-N 2.78Å
119	Q	98.8	Very high	98	Very high	6 Å²	6	19.7 Å²	19.7	3%	0.028	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	131.4	-178.7	-61.3	-179.4	-46.1	0	0	109.9	V102 H132 L153	V102-Q119 HydrophobicContact CG2-CG 4.32Å; Q119-H132 PolarHBondContact NE2-CE1 3.24Å; Q119-H132 PolarHBondContact NE2-NE2 3.31Å; Q119-H132 VanDerWaalsContact NE2-NE2 3.11Å; Q119-L153 PolarHBondContact N-O 3.2Å
120	D	98.5	Very high	97.9	Very high	14 Å²	14	20.8 Å²	20.8	8%	0.075	12%	0.123	C	C	.	.			trans	-97.1	99.9	-179.3	-172.8	-11	0	0	0	110.1	A63 S101 T122 V123 G126	A63-D120 HydrophobicContact CB-CB 3.9Å; S101-D120 PolarHBondContact O-N 3.41Å; D120-T122 VanDerWaalsContact CG-OG1 3.25Å; D120-T122 PolarHBondContact O-N 3.39Å; D120-T122 VanDerWaalsContact O-N 3.17Å; D120-T122 VanDerWaalsContact OD1-CB 3.27Å; D120-T122 WeakPolarHBondContact OD1-CB 3.27Å; D120-T122 WeakPolarHBondContact OD1-CG2 3.37Å; D120-T122 PolarHBondContact OD1-N 3.08Å; D120-T122 PolarHBondContact OD1-OG1 3.28Å; D120-T122 PolarHBondContact OD2-OG1 3.23Å; D120-V123 HydrophobicContact CB-CB 4.49Å; D120-V123 HydrophobicContact CB-CG2 4.35Å; D120-V123 PolarHBondContact O-N 3.35Å; D120-G126 WeakPolarHBondContact O-CA 3.33Å; D120-G126 PolarHBondContact O-N 3.27Å
121	F	98.1	Very high	98	Very high	46 Å²	46	17.8 Å²	17.8	20%	0.202	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-23.3	179.3	-163.4	-102.4	0	0	0	113.2	V123 G125 D155 P194	F121-V123 PolarHBondContact O-N 2.9Å; F121-G125 WeakPolarHBondContact CD2-O 3.14Å; F121-G125 WeakPolarHBondContact CE2-O 3.46Å; F121-G125 WeakPolarHBondContact O-CA 3.41Å; F121-G125 PolarHBondContact O-N 2.94Å; F121-D155 VanDerWaalsContact CD2-OD1 3.29Å; F121-D155 WeakPolarHBondContact CD2-OD1 3.39Å; F121-D155 WeakPolarHBondContact CG-OD1 3.49Å; F121-P194 HydrophobicContact CE2-CB 4.34Å; F121-P194 HydrophobicContact CE2-CG 3.78Å; F121-P194 HydrophobicContact CZ-CG 4.08Å
122	T	98	Very high	98	Very high	5 Å²	5	15.5 Å²	15.5	3%	0.031	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-24.6	178.1	76.2	0	0	0	0	111.7	G47 R51 I52 Q55 D120	G47-T122 WeakPolarHBondContact CA-O 3.45Å; G47-T122 PolarHBondContact N-OG1 3.13Å; R51-T122 HydrophobicContact CB-CG2 4.05Å; R51-T122 WeakPolarHBondContact CD-O 3.45Å; R51-T122 PolarHBondContact NH1-O 3.33Å; I52-T122 HydrophobicContact CG1-CG2 4.34Å; Q55-T122 HydrophobicContact CB-CG2 4.46Å; D120-T122 VanDerWaalsContact CG-OG1 3.25Å; D120-T122 PolarHBondContact O-N 3.39Å; D120-T122 VanDerWaalsContact O-N 3.17Å; D120-T122 VanDerWaalsContact OD1-CB 3.27Å; D120-T122 WeakPolarHBondContact OD1-CB 3.27Å; D120-T122 WeakPolarHBondContact OD1-CG2 3.37Å; D120-T122 PolarHBondContact OD1-N 3.08Å; D120-T122 PolarHBondContact OD1-OG1 3.28Å; D120-T122 PolarHBondContact OD2-OG1 3.23Å
123	V	97.8	Very high	98	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.006	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	108.5	-178.6	-180	0	0	0	0	109.7	I97 S101 D120 F121 G125 G126	I97-V123 HydrophobicContact CB-CG1 4.19Å; I97-V123 HydrophobicContact CD1-CG1 4.07Å; I97-V123 HydrophobicContact CG2-CG1 4.08Å; I97-V123 HydrophobicContact CG2-CG2 4.06Å; S101-V123 VanDerWaalsContact CB-O 3.25Å; S101-V123 WeakPolarHBondContact CB-O 3.42Å; D120-V123 HydrophobicContact CB-CB 4.49Å; D120-V123 HydrophobicContact CB-CG2 4.35Å; D120-V123 PolarHBondContact O-N 3.35Å; F121-V123 PolarHBondContact O-N 2.9Å; V123-G125 PolarHBondContact O-N 3.3Å; V123-G126 PolarHBondContact O-N 2.76Å
124	F	96.6	Very high	98	Very high	36 Å²	36	16.9 Å²	16.9	16%	0.158	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	48.2	33.8	-177.5	-49.8	-68	0	0	0	114.8	M92 Q95 I97 G126 S127	M92-F124 HydrophobicContact CE-CD1 4.19Å; M92-F124 HydrophobicContact CE-CE1 3.86Å; M92-F124 HydrophobicContact CE-CE2 4.45Å; M92-F124 HydrophobicContact CE-CZ 4.02Å; Q95-F124 HydrophobicContact CB-CE1 4.28Å; Q95-F124 HydrophobicContact CB-CZ 4.33Å; Q95-F124 WeakPolarHBondContact O-CZ 3.32Å; I97-F124 HydrophobicContact CB-CE2 4.37Å; I97-F124 HydrophobicContact CD1-CE2 4.1Å; I97-F124 HydrophobicContact CD1-CZ 3.93Å; I97-F124 HydrophobicContact CG1-CE2 4.36Å; I97-F124 HydrophobicContact CG1-CZ 4.19Å; F124-G126 VanDerWaalsContact C-N 3.25Å; F124-G126 PolarHBondContact O-N 2.96Å; F124-S127 WeakPolarHBondContact CB-OG 3.12Å; F124-S127 WeakPolarHBondContact O-CB 3.28Å; F124-S127 PolarHBondContact O-N 2.77Å; F124-S127 VanDerWaalsContact O-N 3.12Å; F124-S127 PolarHBondContact O-OG 3.46Å
125	G	96.4	Very high	98	Very high	22 Å²	22	16.8 Å²	16.8	23%	0.227	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	66.7	24.6	-177.9	0	0	0	0	0	113.6	F121 V123 S127 G157	F121-G125 WeakPolarHBondContact CD2-O 3.14Å; F121-G125 WeakPolarHBondContact CE2-O 3.46Å; F121-G125 WeakPolarHBondContact O-CA 3.41Å; F121-G125 PolarHBondContact O-N 2.94Å; V123-G125 PolarHBondContact O-N 3.3Å; G125-S127 PolarHBondContact O-N 2.84Å; G125-G157 PolarHBondContact O-N 3.15Å
126	G	97.1	Very high	98	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	69.3	10	-173.7	0	0	0	0	0	113.4	D120 V123 F124 L128 S156	D120-G126 WeakPolarHBondContact O-CA 3.33Å; D120-G126 PolarHBondContact O-N 3.27Å; V123-G126 PolarHBondContact O-N 2.76Å; F124-G126 VanDerWaalsContact C-N 3.25Å; F124-G126 PolarHBondContact O-N 2.96Å; G126-L128 PolarHBondContact O-N 3.41Å; G126-S156 VanDerWaalsContact O-CB 3.24Å; G126-S156 WeakPolarHBondContact O-CB 3.29Å; G126-S156 PolarHBondContact O-OG 3.01Å
127	S	97.5	Very high	98	Very high	11 Å²	11	16.5 Å²	16.5	8%	0.077	8%	0.08	C	C	.	.			trans	-62.5	136.4	-171.4	58.8	0	0	0	0	112.4	S101 F124 G125 S129 G158 R160	S101-S127 PolarHBondContact OG-O 3.1Å; F124-S127 WeakPolarHBondContact CB-OG 3.12Å; F124-S127 WeakPolarHBondContact O-CB 3.28Å; F124-S127 PolarHBondContact O-N 2.77Å; F124-S127 VanDerWaalsContact O-N 3.12Å; F124-S127 PolarHBondContact O-OG 3.46Å; G125-S127 PolarHBondContact O-N 2.84Å; S127-S129 PolarHBondContact O-N 3.07Å; S127-G158 CarbonylContact C-O 3.6Å; S127-G158 VanDerWaalsContact CA-O 3.27Å; S127-G158 WeakPolarHBondContact CA-O 3.34Å; S127-R160 PolarHBondContact O-NH2 2.93Å; S127-R160 PolarHBondContact OG-NE 3.01Å
128	L	98.1	Very high	98	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	10%	0.096	C	C	.	.	B	Isolated β-bridge	trans	-78.7	114.3	-175	-175.4	143.3	0	0	0	111.2	G126 H132 A133 G158 R160 S167 Y171 I174	G126-L128 PolarHBondContact O-N 3.41Å; L128-H132 HydrophobicContact CG-CB 4.45Å; L128-A133 HydrophobicContact CD1-CB 4.47Å; L128-A133 HydrophobicContact CD2-CB 4.03Å; L128-A133 HydrophobicContact CG-CB 4.37Å; L128-G158 PolarHBondContact N-O 3.27Å; L128-R160 WeakPolarHBondContact O-CB 3.41Å; L128-R160 PolarHBondContact O-N 2.79Å; L128-S167 VanDerWaalsContact CD2-O 3.31Å; L128-S167 WeakPolarHBondContact CD2-O 3.44Å; L128-S167 WeakPolarHBondContact O-CB 3.44Å; L128-S167 PolarHBondContact O-OG 3.5Å; L128-Y171 HydrophobicContact CB-CE1 4.28Å; L128-Y171 HydrophobicContact CB-CE2 4.15Å; L128-Y171 HydrophobicContact CD1-CD1 3.93Å; L128-Y171 HydrophobicContact CD1-CE1 3.61Å; L128-Y171 HydrophobicContact CD2-CD1 4.42Å; L128-Y171 HydrophobicContact CD2-CD2 4Å; L128-Y171 HydrophobicContact CD2-CE1 4.38Å; L128-Y171 HydrophobicContact CD2-CE2 3.96Å; L128-Y171 HydrophobicContact CD2-CG 4.22Å; L128-Y171 HydrophobicContact CG-CE1 4.3Å; L128-Y171 HydrophobicContact CG-CE2 4.45Å; L128-I174 HydrophobicContact CD1-CD1 3.59Å
129	S	97.4	Very high	98	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.097	C	C	.	.			trans	-92	175.3	166.6	66.7	0	0	0	0	112.1	D100 S127 V131 H132 A133 R160 E163	D100-S129 WeakPolarHBondContact OD2-CB 3.36Å; D100-S129 PolarHBondContact OD2-OG 3.1Å; S127-S129 PolarHBondContact O-N 3.07Å; S129-V131 VanDerWaalsContact C-N 3.29Å; S129-V131 PolarHBondContact O-N 3.18Å; S129-V131 PolarHBondContact OG-N 3.21Å; S129-H132 PolarHBondContact O-N 3.18Å; S129-H132 VanDerWaalsContact OG-CB 3.22Å; S129-H132 WeakPolarHBondContact OG-CB 3.25Å; S129-H132 PolarHBondContact OG-N 3.41Å; S129-A133 WeakPolarHBondContact O-CB 3.49Å; S129-A133 PolarHBondContact O-N 3.31Å; S129-R160 VanDerWaalsContact CB-NH1 3.32Å; S129-E163 VanDerWaalsContact CA-OE2 3.3Å; S129-E163 WeakPolarHBondContact CA-OE2 3.24Å; S129-E163 WeakPolarHBondContact CB-OE1 3.4Å; S129-E163 WeakPolarHBondContact CB-OE2 3.31Å
130	L	96.9	Very high	98	Very high	28 Å²	28	20.1 Å²	20.1	15%	0.147	10%	0.096	C	C	.	.	H	α-helix	trans	-61.9	-37.6	168.1	-176.3	59.8	0	0	0	112.2	A133 R134 E163 A166	L130-A133 PolarHBondContact O-N 3.46Å; L130-R134 WeakPolarHBondContact O-CB 3.31Å; L130-R134 VanDerWaalsContact O-CG 3.25Å; L130-R134 WeakPolarHBondContact O-CG 3.06Å; L130-R134 PolarHBondContact O-N 3.12Å; L130-E163 PolarHBondContact N-OE2 3.31Å; L130-A166 HydrophobicContact CB-CB 4.3Å; L130-A166 HydrophobicContact CD2-CB 4.4Å
131	V	97.6	Very high	98	Very high	16 Å²	16	23 Å²	23	10%	0.097	11%	0.112	C	C	.	.	H	α-helix	trans	-70.1	-44.1	178.8	172.8	0	0	0	0	111.2	V83 D100 S129 A133 R134 K135	V83-V131 HydrophobicContact CB-CG1 4.03Å; V83-V131 HydrophobicContact CG2-CG1 3.42Å; V83-V131 VanDerWaalsContact CG2-CG1 3.42Å; D100-V131 HydrophobicContact CB-CG1 4.34Å; S129-V131 VanDerWaalsContact C-N 3.29Å; S129-V131 PolarHBondContact O-N 3.18Å; S129-V131 PolarHBondContact OG-N 3.21Å; V131-A133 VanDerWaalsContact C-N 3.29Å; V131-A133 PolarHBondContact O-N 3.14Å; V131-R134 PolarHBondContact O-N 2.84Å; V131-K135 WeakPolarHBondContact O-CG 3.47Å; V131-K135 PolarHBondContact O-N 3.26Å
132	H	98.1	Very high	98	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-52.6	-50	171.3	179.7	128.1	0	0	0	110.5	S101 V102 Q119 L128 S129 R134 K135 I136	S101-H132 PolarHBondContact OG-ND1 2.89Å; V102-H132 HydrophobicContact CG1-CB 4.04Å; Q119-H132 PolarHBondContact NE2-CE1 3.24Å; Q119-H132 PolarHBondContact NE2-NE2 3.31Å; Q119-H132 VanDerWaalsContact NE2-NE2 3.11Å; L128-H132 HydrophobicContact CG-CB 4.45Å; S129-H132 PolarHBondContact O-N 3.18Å; S129-H132 VanDerWaalsContact OG-CB 3.22Å; S129-H132 WeakPolarHBondContact OG-CB 3.25Å; S129-H132 PolarHBondContact OG-N 3.41Å; H132-R134 PolarHBondContact O-N 3.17Å; H132-K135 PolarHBondContact O-N 2.81Å; H132-I136 VanDerWaalsContact CD2-CD1 3.49Å; H132-I136 WeakPolarHBondContact CD2-CD1 3.41Å; H132-I136 WeakPolarHBondContact NE2-CD1 3.31Å; H132-I136 PolarHBondContact O-N 2.93Å; H132-I136 VanDerWaalsContact O-N 3.15Å
133	A	98.4	Very high	98.1	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.008	11%	0.114	C	C	.	.	H	α-helix	trans	-62	-44.9	179.6	0	0	0	0	0	112.5	L128 S129 L130 V131 K135 I136 C137 G170 I174	L128-A133 HydrophobicContact CD1-CB 4.47Å; L128-A133 HydrophobicContact CD2-CB 4.03Å; L128-A133 HydrophobicContact CG-CB 4.37Å; S129-A133 WeakPolarHBondContact O-CB 3.49Å; S129-A133 PolarHBondContact O-N 3.31Å; L130-A133 PolarHBondContact O-N 3.46Å; V131-A133 VanDerWaalsContact C-N 3.29Å; V131-A133 PolarHBondContact O-N 3.14Å; A133-K135 VanDerWaalsContact C-N 3.28Å; A133-K135 PolarHBondContact O-N 2.87Å; A133-I136 PolarHBondContact O-N 3.34Å; A133-C137 WeakPolarHBondContact O-CB 3.39Å; A133-C137 PolarHBondContact O-N 3.29Å; A133-C137 PolarHBondContact O-SG 3.47Å; A133-G170 WeakPolarHBondContact CB-O 3.46Å; A133-I174 HydrophobicContact CB-CD1 4.15Å; A133-I174 HydrophobicContact CB-CG1 4.49Å
134	R	98.5	Very high	98.1	Very high	138 Å²	138	26.4 Å²	26.4	52%	0.521	13%	0.129	S	C	.	.	H	α-helix	trans	-59.1	-38.5	177	-76.5	170.1	174.5	169.8	-0.6	112.5	L130 V131 H132 C137 K138	L130-R134 WeakPolarHBondContact O-CB 3.31Å; L130-R134 VanDerWaalsContact O-CG 3.25Å; L130-R134 WeakPolarHBondContact O-CG 3.06Å; L130-R134 PolarHBondContact O-N 3.12Å; V131-R134 PolarHBondContact O-N 2.84Å; H132-R134 PolarHBondContact O-N 3.17Å; R134-C137 PolarHBondContact O-N 3.18Å; R134-K138 WeakPolarHBondContact O-CB 3.45Å; R134-K138 PolarHBondContact O-N 2.98Å
135	K	98.7	Very high	98.2	Very high	3 Å²	3	31.8 Å²	31.8	1%	0.013	16%	0.158	C	C	.	.	H	α-helix	trans	-63.1	-47.6	175.3	-70.3	-178.3	64.9	157.4	0	111.8	D80 V83 C99 V102 T104 V131 H132 A133 K138 V139	D80-K135 HydrophobicContact CB-CD 4.01Å; D80-K135 HydrophobicContact CB-CG 3.84Å; D80-K135 PolarHBondContact O-NZ 2.88Å; V83-K135 HydrophobicContact CG2-CD 3.63Å; V83-K135 HydrophobicContact CG2-CG 4.14Å; C99-K135 PolarHBondContact O-NZ 2.84Å; C99-K135 PolarHBondContact SG-NZ 3.36Å; V102-K135 HydrophobicContact CG1-CB 4.07Å; V102-K135 HydrophobicContact CG1-CD 3.97Å; V102-K135 VanDerWaalsContact O-CE 3.23Å; V102-K135 WeakPolarHBondContact O-CE 3.26Å; V102-K135 PolarHBondContact O-NZ 2.87Å; T104-K135 HydrophobicContact CG2-CB 3.73Å; T104-K135 WeakPolarHBondContact OG1-CE 3.46Å; V131-K135 WeakPolarHBondContact O-CG 3.47Å; V131-K135 PolarHBondContact O-N 3.26Å; H132-K135 PolarHBondContact O-N 2.81Å; A133-K135 VanDerWaalsContact C-N 3.28Å; A133-K135 PolarHBondContact O-N 2.87Å; K135-K138 PolarHBondContact O-N 3.31Å; K135-V139 PolarHBondContact O-N 3.44Å
136	I	98.8	Very high	98.2	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.015	17%	0.173	C	C	.	.	H	α-helix	trans	-61.2	-47.1	176.1	-66	-179.5	0	0	0	110.3	V102 T104 F117 H132 A133 K138 V139 M140 I174	V102-I136 HydrophobicContact CG2-CD1 4.3Å; V102-I136 HydrophobicContact CG2-CG1 4.12Å; T104-I136 HydrophobicContact CG2-CG1 4.5Å; F117-I136 HydrophobicContact CB-CG1 4.01Å; F117-I136 HydrophobicContact CD1-CG1 4.41Å; F117-I136 HydrophobicContact CD1-CG2 3.9Å; F117-I136 HydrophobicContact CD2-CD1 3.69Å; F117-I136 HydrophobicContact CD2-CG1 3.99Å; F117-I136 HydrophobicContact CE1-CG2 3.9Å; F117-I136 HydrophobicContact CE2-CD1 3.97Å; F117-I136 HydrophobicContact CG-CD1 4.13Å; F117-I136 HydrophobicContact CG-CG1 3.89Å; F117-I136 HydrophobicContact CG-CG2 4.23Å; F117-I136 HydrophobicContact CZ-CG2 4.21Å; H132-I136 VanDerWaalsContact CD2-CD1 3.49Å; H132-I136 WeakPolarHBondContact CD2-CD1 3.41Å; H132-I136 WeakPolarHBondContact NE2-CD1 3.31Å; H132-I136 PolarHBondContact O-N 2.93Å; H132-I136 VanDerWaalsContact O-N 3.15Å; A133-I136 PolarHBondContact O-N 3.34Å; I136-K138 VanDerWaalsContact C-N 3.27Å; I136-K138 PolarHBondContact O-N 2.94Å; I136-V139 WeakPolarHBondContact O-CG2 3.41Å; I136-V139 PolarHBondContact O-N 3.26Å; I136-M140 HydrophobicContact CG2-CG 4.31Å; I136-M140 HydrophobicContact CG2-SD 3.89Å; I136-M140 WeakPolarHBondContact O-CG 3.5Å; I136-M140 PolarHBondContact O-N 2.9Å; I136-I174 HydrophobicContact CB-CD1 4.09Å; I136-I174 HydrophobicContact CB-CG1 4.3Å; I136-I174 HydrophobicContact CD1-CD1 4.03Å; I136-I174 HydrophobicContact CG2-CD1 4.01Å; I136-I174 HydrophobicContact CG2-CG1 4Å; I136-I174 HydrophobicContact CG2-CG2 4.36Å
137	C	98.8	Very high	98.3	Very high	6 Å²	6	35.6 Å²	35.6	4%	0.041	18%	0.18	C	C	.	.	H	α-helix	trans	-55.8	-42.6	177.9	-72.2	0	0	0	0	112.1	A133 R134 V139 M140 D141 R177	A133-C137 WeakPolarHBondContact O-CB 3.39Å; A133-C137 PolarHBondContact O-N 3.29Å; A133-C137 PolarHBondContact O-SG 3.47Å; R134-C137 PolarHBondContact O-N 3.18Å; C137-V139 PolarHBondContact O-N 3.28Å; C137-M140 PolarHBondContact O-N 2.94Å; C137-D141 WeakPolarHBondContact O-CB 3.38Å; C137-D141 PolarHBondContact O-N 2.95Å; C137-R177 PolarHBondContact O-NE 3.4Å
138	K	98.8	Very high	98.4	Very high	86 Å²	86	35.1 Å²	35.1	37%	0.374	18%	0.177	S	C	.	.	H	α-helix	trans	-60.6	-46	178.1	-177.4	-178.7	-68	175.9	0	112.3	D80 R134 K135 I136 D141 Q142	D80-K138 IonicContact OD1-NZ 3.25Å; D80-K138 PolarHBondContact OD1-NZ 3.09Å; D80-K138 WeakPolarHBondContact OD2-CD 3.46Å; D80-K138 VanDerWaalsContact OD2-CE 3.28Å; D80-K138 WeakPolarHBondContact OD2-CE 3.48Å; D80-K138 IonicContact OD2-NZ 3.13Å; D80-K138 PolarHBondContact OD2-NZ 3.23Å; R134-K138 WeakPolarHBondContact O-CB 3.45Å; R134-K138 PolarHBondContact O-N 2.98Å; K135-K138 PolarHBondContact O-N 3.31Å; I136-K138 VanDerWaalsContact C-N 3.27Å; I136-K138 PolarHBondContact O-N 2.94Å; K138-D141 PolarHBondContact O-N 3.16Å; K138-Q142 WeakPolarHBondContact O-CG 3.13Å; K138-Q142 PolarHBondContact O-N 2.71Å
139	V	98.7	Very high	98.4	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.006	18%	0.177	C	C	.	.	H	α-helix	trans	-68.3	-36	178.8	-68.3	0	0	0	0	111.9	Y79 T104 Y115 F117 K135 I136 C137 Q142 A143	Y79-V139 HydrophobicContact CD2-CG1 3.99Å; T104-V139 HydrophobicContact CG2-CG2 4.49Å; Y115-V139 HydrophobicContact CD1-CB 4.08Å; Y115-V139 HydrophobicContact CD1-CG1 4.38Å; Y115-V139 WeakPolarHBondContact CD1-O 3.36Å; F117-V139 HydrophobicContact CB-CG2 4.44Å; F117-V139 HydrophobicContact CD1-CG2 4.28Å; K135-V139 PolarHBondContact O-N 3.44Å; I136-V139 WeakPolarHBondContact O-CG2 3.41Å; I136-V139 PolarHBondContact O-N 3.26Å; C137-V139 PolarHBondContact O-N 3.28Å; V139-Q142 PolarHBondContact O-N 3.35Å; V139-A143 VanDerWaalsContact O-CB 3.29Å; V139-A143 WeakPolarHBondContact O-CB 3.49Å; V139-A143 PolarHBondContact O-N 3.42Å
140	M	98.9	Very high	98.5	Very high	4 Å²	4	35.5 Å²	35.5	2%	0.02	18%	0.179	C	C	.	.	H	α-helix	trans	-65.3	-44	174.6	-67.2	-180	80.4	0	0	112	I136 C137 Q142 A143 M144 V150 I174 R177 N178	I136-M140 HydrophobicContact CG2-CG 4.31Å; I136-M140 HydrophobicContact CG2-SD 3.89Å; I136-M140 WeakPolarHBondContact O-CG 3.5Å; I136-M140 PolarHBondContact O-N 2.9Å; C137-M140 PolarHBondContact O-N 2.94Å; M140-Q142 VanDerWaalsContact C-N 3.3Å; M140-Q142 PolarHBondContact O-N 2.95Å; M140-A143 PolarHBondContact O-N 3.49Å; M140-M144 WeakPolarHBondContact O-CB 3.41Å; M140-M144 WeakPolarHBondContact O-CG 3.23Å; M140-M144 PolarHBondContact O-N 3.49Å; M140-V150 HydrophobicContact CG-CG2 4.3Å; M140-I174 HydrophobicContact SD-CG2 4.18Å; M140-R177 HydrophobicContact CB-CB 4.24Å; M140-R177 HydrophobicContact CE-CB 3.57Å; M140-R177 HydrophobicContact SD-CB 3.86Å; M140-N178 HydrophobicContact CE-CB 4.34Å; M140-N178 VanDerWaalsContact CE-ND2 3.26Å; M140-N178 WeakPolarHBondContact CE-ND2 3.37Å
141	D	98.9	Very high	98.6	Very high	74 Å²	74	34.2 Å²	34.2	40%	0.396	17%	0.172	S	C	.	.	H	α-helix	trans	-61.1	-40.8	176.9	-70.7	-20.4	0	0	0	111	C137 K138 L145 R177	C137-D141 WeakPolarHBondContact O-CB 3.38Å; C137-D141 PolarHBondContact O-N 2.95Å; K138-D141 PolarHBondContact O-N 3.16Å; D141-L145 WeakPolarHBondContact O-CB 3.35Å; D141-L145 PolarHBondContact O-N 3.32Å; D141-R177 WeakPolarHBondContact OD1-CD 3.09Å; D141-R177 IonicContact OD1-CZ 2.81Å; D141-R177 IonicContact OD1-NE 2.88Å; D141-R177 PolarHBondContact OD1-NE 3.44Å; D141-R177 IonicContact OD1-NH2 3.6Å; D141-R177 IonicContact OD2-CZ 3.79Å; D141-R177 IonicContact OD2-NE 3.91Å; D141-R177 PolarHBondContact OD2-NE 3.47Å; D141-R177 VanDerWaalsContact OD2-NE 3.12Å; D141-R177 IonicContact OD2-NH2 3.69Å; D141-R177 PolarHBondContact OD2-NH2 2.99Å
142	Q	98.7	Very high	98.6	Very high	63 Å²	63	33.5 Å²	33.5	29%	0.294	17%	0.169	S	C	.	.	H	α-helix	trans	-70.8	-40.2	176.9	-72.1	-176.4	-29.1	0	0	113	Y115 K138 V139 M140 M144 L145 V146	Y115-Q142 HydrophobicContact CD1-CB 4.09Å; Y115-Q142 HydrophobicContact CE1-CB 3.35Å; Y115-Q142 HydrophobicContact CE1-CG 4.4Å; K138-Q142 WeakPolarHBondContact O-CG 3.13Å; K138-Q142 PolarHBondContact O-N 2.71Å; V139-Q142 PolarHBondContact O-N 3.35Å; M140-Q142 VanDerWaalsContact C-N 3.3Å; M140-Q142 PolarHBondContact O-N 2.95Å; Q142-M144 VanDerWaalsContact C-N 3.31Å; Q142-M144 PolarHBondContact O-N 3.11Å; Q142-L145 WeakPolarHBondContact O-CB 3.19Å; Q142-L145 PolarHBondContact O-N 3.46Å; Q142-V146 WeakPolarHBondContact O-CG2 3.28Å; Q142-V146 PolarHBondContact O-N 3.45Å; Q142-V146 VanDerWaalsContact O-N 3.15Å
143	A	98.8	Very high	98.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-58.3	-45.9	175	0	0	0	0	0	111	Y115 V139 M140 L145 V146 G147 A148 V150 I185	Y115-A143 HydrophobicContact CD1-CB 4.47Å; Y115-A143 HydrophobicContact CD2-CB 3.71Å; Y115-A143 HydrophobicContact CE2-CB 4.47Å; Y115-A143 HydrophobicContact CG-CB 3.71Å; V139-A143 VanDerWaalsContact O-CB 3.29Å; V139-A143 WeakPolarHBondContact O-CB 3.49Å; V139-A143 PolarHBondContact O-N 3.42Å; M140-A143 PolarHBondContact O-N 3.49Å; A143-L145 PolarHBondContact O-N 3.21Å; A143-V146 PolarHBondContact O-N 2.82Å; A143-G147 WeakPolarHBondContact O-CA 3.4Å; A143-G147 PolarHBondContact O-N 3.39Å; A143-A148 PolarHBondContact O-N 2.94Å; A143-V150 HydrophobicContact CB-CB 4.3Å; A143-I185 HydrophobicContact CB-CD1 3.63Å
144	M	98.4	Very high	98.7	Very high	62 Å²	62	33.7 Å²	33.7	31%	0.305	17%	0.169	S	C	.	.	H	α-helix	trans	-62.2	-41.2	174.8	-80.5	-68.4	-70.7	0	0	112.7	M140 Q142 V146 N180 A181 V184 I185	M140-M144 WeakPolarHBondContact O-CB 3.41Å; M140-M144 WeakPolarHBondContact O-CG 3.23Å; M140-M144 PolarHBondContact O-N 3.49Å; Q142-M144 VanDerWaalsContact C-N 3.31Å; Q142-M144 PolarHBondContact O-N 3.11Å; M144-V146 VanDerWaalsContact C-N 3.34Å; M144-V146 PolarHBondContact O-N 3Å; M144-N180 WeakPolarHBondContact CE-O 3.46Å; M144-A181 HydrophobicContact CG-CB 4.05Å; M144-A181 VanDerWaalsContact SD-CA 3.5Å; M144-A181 HydrophobicContact SD-CB 3.55Å; M144-A181 VanDerWaalsContact SD-CB 3.55Å; M144-V184 HydrophobicContact CE-CB 4.15Å; M144-V184 HydrophobicContact CE-CG1 3.82Å; M144-V184 HydrophobicContact CE-CG2 4.41Å; M144-V184 HydrophobicContact SD-CB 4.03Å; M144-V184 HydrophobicContact SD-CG1 3.85Å; M144-I185 HydrophobicContact CG-CD1 3.9Å; M144-I185 HydrophobicContact CG-CG1 4.45Å; M144-I185 HydrophobicContact SD-CD1 3.92Å; M144-I185 HydrophobicContact SD-CG1 3.8Å; M144-I185 HydrophobicContact SD-CG2 4.3Å
145	L	98.3	Very high	98.7	Very high	149 Å²	149	27.1 Å²	27.1	78%	0.78	15%	0.145	S	C	*	.	H	α-helix	trans	-62.9	-39.8	-178.7	-177.4	64.3	0	0	0	112.4	D141 Q142 A143	D141-L145 WeakPolarHBondContact O-CB 3.35Å; D141-L145 PolarHBondContact O-N 3.32Å; Q142-L145 WeakPolarHBondContact O-CB 3.19Å; Q142-L145 PolarHBondContact O-N 3.46Å; A143-L145 PolarHBondContact O-N 3.21Å
146	V	97.8	Very high	98.5	Very high	87 Å²	87	27 Å²	27	53%	0.527	14%	0.144	S	C	.	.	H	α-helix	trans	-97.8	-8.2	-177.3	-53.3	0	0	0	0	113.8	Y115 Q142 A143 M144 A148	Y115-V146 HydrophobicContact CE2-CG2 3.62Å; Q142-V146 WeakPolarHBondContact O-CG2 3.28Å; Q142-V146 PolarHBondContact O-N 3.45Å; Q142-V146 VanDerWaalsContact O-N 3.15Å; A143-V146 PolarHBondContact O-N 2.82Å; M144-V146 VanDerWaalsContact C-N 3.34Å; M144-V146 PolarHBondContact O-N 3Å; V146-A148 HydrophobicContact CG2-CB 3.83Å
147	G	98.3	Very high	98.3	Very high	15 Å²	15	29.1 Å²	29.1	16%	0.155	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	50	-177.1	0	0	0	0	0	112.9	A143 L275	A143-G147 WeakPolarHBondContact O-CA 3.4Å; A143-G147 PolarHBondContact O-N 3.39Å; G147-L275 CarbonylContact O-C 3.41Å; G147-L275 WeakPolarHBondContact O-CB 3.24Å
148	A	98.6	Very high	98.1	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.008	17%	0.165	C	C	.	.			trans	-120.1	151.8	177.1	0	0	0	0	0	111.8	P113 Y115 A143 V146 I185	P113-A148 HydrophobicContact CB-CB 4.39Å; P113-A148 HydrophobicContact CG-CB 4.38Å; Y115-A148 HydrophobicContact CD2-CB 3.98Å; Y115-A148 HydrophobicContact CE2-CB 4.16Å; A143-A148 PolarHBondContact O-N 2.94Å; V146-A148 HydrophobicContact CG2-CB 3.83Å; A148-I185 WeakPolarHBondContact O-CB 3.45Å; A148-I185 WeakPolarHBondContact O-CD1 3.4Å
149	P	98.8	Very high	98	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.019	16%	0.163	C	C	.	.			trans	-60.2	154	176.8	-23.6	34.3	0	0	0	113.1	Y115 P186 L275	Y115-P149 PolarHBondContact N-O 2.78Å; P149-P186 VanDerWaalsContact CA-O 3.3Å; P149-P186 WeakPolarHBondContact CA-O 3.33Å; P149-P186 HydrophobicContact CB-CB 4.2Å; P149-P186 HydrophobicContact CB-CG 4.42Å; P149-P186 HydrophobicContact CG-CB 4.42Å; P149-P186 HydrophobicContact CG-CG 4.15Å; P149-L275 WeakPolarHBondContact CD-O 3.08Å; P149-L275 HydrophobicContact CG-CD2 4.12Å
150	V	98.9	Very high	97.9	Very high	6 Å²	6	26.6 Å²	26.6	4%	0.036	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	130	169.7	66.6	0	0	0	0	111.2	Y115 F117 M140 A143 I185 P186 Q187 I188	Y115-V150 CarbonylContact O-C 3.49Å; Y115-V150 VanDerWaalsContact O-CA 3.29Å; Y115-V150 WeakPolarHBondContact O-CA 3.43Å; F117-V150 HydrophobicContact CD1-CG2 4.29Å; F117-V150 HydrophobicContact CE1-CG2 4.17Å; M140-V150 HydrophobicContact CG-CG2 4.3Å; A143-V150 HydrophobicContact CB-CB 4.3Å; V150-I185 HydrophobicContact CG1-CD1 4.21Å; V150-P186 PolarHBondContact N-O 2.76Å; V150-Q187 HydrophobicContact CG1-CB 4.2Å; V150-Q187 HydrophobicContact CG1-CG 3.77Å; V150-I188 PolarHBondContact O-N 3.31Å
151	V	98.9	Very high	97.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	120.6	177.1	177.7	0	0	0	0	110.1	L70 V114 Y115 L116 F117 L153 I188 L266 L270	L70-V151 HydrophobicContact CD2-CB 4.4Å; L70-V151 HydrophobicContact CD2-CG1 3.92Å; V114-V151 HydrophobicContact CG1-CB 4.4Å; V114-V151 HydrophobicContact CG1-CG2 3.78Å; Y115-V151 PolarHBondContact O-N 3.07Å; L116-V151 WeakPolarHBondContact CA-O 3.44Å; L116-V151 HydrophobicContact CB-CB 4.3Å; L116-V151 WeakPolarHBondContact CB-O 3.21Å; F117-V151 PolarHBondContact N-O 3.45Å; V151-L153 HydrophobicContact CG1-CD2 3.62Å; V151-L153 HydrophobicContact CG1-CG 4.29Å; V151-I188 CarbonylContact C-O 3.46Å; V151-I188 WeakPolarHBondContact CA-O 3.48Å; V151-I188 HydrophobicContact CG2-CB 4.47Å; V151-L266 HydrophobicContact CG1-CD2 3.7Å; V151-L266 HydrophobicContact CG2-CD2 4.45Å; V151-L270 HydrophobicContact CG2-CD1 4.45Å
152	G	98.8	Very high	97.7	Very high	2 Å²	2	33.2 Å²	33.2	2%	0.021	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	121.8	170.1	0	0	0	0	0	111.3	N154 I188 S189 L190	G152-N154 PolarHBondContact O-OD1 2.75Å; G152-I188 PolarHBondContact N-O 3.02Å; G152-S189 WeakPolarHBondContact O-CA 3.37Å; G152-L190 PolarHBondContact O-N 2.92Å
153	L	98.8	Very high	97.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	97.2	172	-49.4	-178	0	0	0	107.9	R66 I67 L70 F117 Q119 V151 L190 L192 L263	R66-L153 HydrophobicContact CB-CD1 3.89Å; I67-L153 HydrophobicContact CG1-CD1 4.41Å; L70-L153 HydrophobicContact CD2-CD1 4.45Å; L70-L153 HydrophobicContact CD2-CD2 4.47Å; F117-L153 PolarHBondContact O-N 3.33Å; Q119-L153 PolarHBondContact N-O 3.2Å; V151-L153 HydrophobicContact CG1-CD2 3.62Å; V151-L153 HydrophobicContact CG1-CG 4.29Å; L153-L190 HydrophobicContact CD2-CB 3.87Å; L153-L190 HydrophobicContact CD2-CD2 3.98Å; L153-L190 HydrophobicContact CD2-CG 4.47Å; L153-L192 HydrophobicContact CB-CD1 4.04Å; L153-L192 HydrophobicContact CD2-CD1 4.31Å; L153-L263 HydrophobicContact CD1-CD2 4.26Å; L153-L263 HydrophobicContact CD2-CD2 4.06Å
154	N	98.8	Very high	97.4	Very high	5 Å²	5	33.1 Å²	33.1	3%	0.027	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	125.6	-166.9	-61.9	90	0	0	0	111.5	G152 L190 I191 L192	G152-N154 PolarHBondContact O-OD1 2.75Å; N154-L190 PolarHBondContact N-O 2.97Å; N154-I191 HydrophobicContact CB-CD1 3.76Å; N154-L192 PolarHBondContact O-N 3.08Å
155	D	98.2	Very high	97.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	77.3	178.7	-169.2	-0.6	0	0	0	108.1	Q55 K60 R66 F121 G193 P194	Q55-D155 PolarHBondContact NE2-OD2 2.94Å; K60-D155 VanDerWaalsContact CE-OD2 3.26Å; K60-D155 WeakPolarHBondContact CE-OD2 3.38Å; K60-D155 IonicContact NZ-OD1 2.78Å; K60-D155 PolarHBondContact NZ-OD1 3.45Å; K60-D155 IonicContact NZ-OD2 2.84Å; K60-D155 PolarHBondContact NZ-OD2 3.37Å; R66-D155 IonicContact CZ-OD2 2.81Å; R66-D155 IonicContact NH1-OD2 3.88Å; R66-D155 PolarHBondContact NH1-OD2 3.04Å; R66-D155 IonicContact NH2-OD2 3.69Å; F121-D155 VanDerWaalsContact CD2-OD1 3.29Å; F121-D155 WeakPolarHBondContact CD2-OD1 3.39Å; F121-D155 WeakPolarHBondContact CG-OD1 3.49Å; D155-G193 WeakPolarHBondContact OD1-CA 3.31Å; D155-P194 WeakPolarHBondContact OD1-CD 3.28Å
156	S	96	Very high	97.3	Very high	0 Å²	0	30 Å²	30	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	131.6	-168.9	179.2	0	0	0	0	112.8	G126 G158 P194 C195	G126-S156 VanDerWaalsContact O-CB 3.24Å; G126-S156 WeakPolarHBondContact O-CB 3.29Å; G126-S156 PolarHBondContact O-OG 3.01Å; S156-G158 PolarHBondContact O-N 3.19Å; S156-G158 VanDerWaalsContact O-N 3.14Å; S156-G158 PolarHBondContact OG-N 3.49Å; S156-G158 VanDerWaalsContact OG-N 3.15Å; S156-P194 CarbonylContact C-O 3.55Å; S156-P194 PolarHBondContact N-O 3.46Å; S156-P194 CarbonylContact O-C 3.47Å; S156-P194 VanDerWaalsContact O-C 3.27Å; S156-C195 WeakPolarHBondContact O-CA 3.17Å
157	G	93.7	Very high	97.2	Very high	47 Å²	47	25.9 Å²	25.9	49%	0.485	17%	0.173	S	C	.	.			trans	-69.5	1.3	170.8	0	0	0	0	0	115	G125	G125-G157 PolarHBondContact O-N 3.15Å
158	G	95.6	Very high	97.2	Very high	2 Å²	2	30.1 Å²	30.1	2%	0.021	19%	0.191	C	C	.	.	S	Bend	trans	107	-147.4	177.4	0	0	0	0	0	113.6	S127 L128 S156 Y171 A196	S127-G158 CarbonylContact C-O 3.6Å; S127-G158 VanDerWaalsContact CA-O 3.27Å; S127-G158 WeakPolarHBondContact CA-O 3.34Å; L128-G158 PolarHBondContact N-O 3.27Å; S156-G158 PolarHBondContact O-N 3.19Å; S156-G158 VanDerWaalsContact O-N 3.14Å; S156-G158 PolarHBondContact OG-N 3.49Å; S156-G158 VanDerWaalsContact OG-N 3.15Å; G158-Y171 WeakPolarHBondContact CA-OH 3.13Å; G158-Y171 PolarHBondContact O-OH 2.72Å; G158-A196 WeakPolarHBondContact CA-O 3.32Å
159	A	96.8	Very high	97.2	Very high	38 Å²	38	32.2 Å²	32.2	31%	0.314	21%	0.209	S	C	.	.	B	Isolated β-bridge	trans	-64.1	141.6	-178.9	0	0	0	0	0	111.9	I161 S167 Y171	A159-I161 PolarHBondContact O-N 3.11Å; A159-I161 VanDerWaalsContact O-N 3.09Å; A159-S167 WeakPolarHBondContact CA-OG 3.32Å; A159-S167 WeakPolarHBondContact CB-OG 3.31Å; A159-Y171 HydrophobicContact CB-CE2 3.84Å; A159-Y171 PolarHBondContact N-OH 2.81Å
160	R	97	Very high	97.1	Very high	1 Å²	1	32 Å²	32	0%	0.004	21%	0.208	C	C	.	.			trans	-75.9	97.6	166.1	-171.3	176	-62.6	169.4	2.6	109.1	D100 S101 S127 L128 S129 Q162 E163 S167	D100-R160 VanDerWaalsContact CG-NH2 3.29Å; D100-R160 IonicContact OD1-CZ 3.32Å; D100-R160 VanDerWaalsContact OD1-CZ 3.32Å; D100-R160 IonicContact OD1-NH1 2.87Å; D100-R160 PolarHBondContact OD1-NH1 3.49Å; D100-R160 IonicContact OD1-NH2 3.28Å; D100-R160 PolarHBondContact OD1-NH2 3.38Å; D100-R160 IonicContact OD2-CZ 3.13Å; D100-R160 IonicContact OD2-NH1 2.88Å; D100-R160 IonicContact OD2-NH2 3.89Å; D100-R160 PolarHBondContact OD2-NH2 3.42Å; S101-R160 PolarHBondContact OG-NH2 2.87Å; S127-R160 PolarHBondContact O-NH2 2.93Å; S127-R160 PolarHBondContact OG-NE 3.01Å; L128-R160 WeakPolarHBondContact O-CB 3.41Å; L128-R160 PolarHBondContact O-N 2.79Å; S129-R160 VanDerWaalsContact CB-NH1 3.32Å; R160-Q162 HydrophobicContact CG-CB 4.38Å; R160-Q162 VanDerWaalsContact CG-OE1 3.25Å; R160-Q162 PolarHBondContact O-N 2.67Å; R160-Q162 VanDerWaalsContact O-N 3.12Å; R160-E163 WeakPolarHBondContact CD-OE1 3.21Å; R160-E163 HydrophobicContact CG-CG 4.41Å; R160-E163 IonicContact CZ-OE1 3.88Å; R160-E163 IonicContact NH1-OE1 3.79Å; R160-E163 PolarHBondContact NH1-OE1 3.38Å; R160-E163 VanDerWaalsContact NH1-OE1 3.13Å; R160-E163 PolarHBondContact O-N 3.35Å; R160-S167 PolarHBondContact N-OG 2.9Å
161	I	95.9	Very high	97.1	Very high	141 Å²	141	32.2 Å²	32.2	72%	0.723	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-54.2	-35.5	-176	-62.6	171.6	0	0	0	111.8	A159 E163 G164	A159-I161 PolarHBondContact O-N 3.11Å; A159-I161 VanDerWaalsContact O-N 3.09Å; I161-E163 PolarHBondContact O-N 3.2Å; I161-G164 PolarHBondContact O-N 3.42Å
162	Q	96.9	Very high	97.1	Very high	75 Å²	75	34.7 Å²	34.7	35%	0.35	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-62.2	-26.3	-178.8	-61.6	79.9	1.5	0	0	113.2	F90 M92 R160	F90-Q162 HydrophobicContact CB-CG 4.12Å; F90-Q162 HydrophobicContact CD2-CB 3.86Å; F90-Q162 HydrophobicContact CD2-CG 4.07Å; F90-Q162 HydrophobicContact CG-CG 4.38Å; M92-Q162 HydrophobicContact CG-CB 3.69Å; M92-Q162 HydrophobicContact CG-CG 4.02Å; M92-Q162 HydrophobicContact SD-CB 4.11Å; M92-Q162 HydrophobicContact SD-CG 3.97Å; R160-Q162 HydrophobicContact CG-CB 4.38Å; R160-Q162 VanDerWaalsContact CG-OE1 3.25Å; R160-Q162 PolarHBondContact O-N 2.67Å; R160-Q162 VanDerWaalsContact O-N 3.12Å
163	E	96.4	Very high	97.1	Very high	21 Å²	21	38.1 Å²	38.1	10%	0.098	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-91.1	-3.4	177.9	-73.6	-172.6	-150.9	0	0	113.3	C87 S129 L130 R160 I161 V165 A166	C87-E163 HydrophobicContact CB-CG 3.64Å; S129-E163 VanDerWaalsContact CA-OE2 3.3Å; S129-E163 WeakPolarHBondContact CA-OE2 3.24Å; S129-E163 WeakPolarHBondContact CB-OE1 3.4Å; S129-E163 WeakPolarHBondContact CB-OE2 3.31Å; L130-E163 PolarHBondContact N-OE2 3.31Å; R160-E163 WeakPolarHBondContact CD-OE1 3.21Å; R160-E163 HydrophobicContact CG-CG 4.41Å; R160-E163 IonicContact CZ-OE1 3.88Å; R160-E163 IonicContact NH1-OE1 3.79Å; R160-E163 PolarHBondContact NH1-OE1 3.38Å; R160-E163 VanDerWaalsContact NH1-OE1 3.13Å; R160-E163 PolarHBondContact O-N 3.35Å; I161-E163 PolarHBondContact O-N 3.2Å; E163-V165 PolarHBondContact O-N 3.36Å; E163-A166 HydrophobicContact CB-CB 4.47Å; E163-A166 WeakPolarHBondContact O-CB 3.5Å; E163-A166 PolarHBondContact O-N 2.82Å
164	G	95.5	Very high	97.1	Very high	40 Å²	40	38.3 Å²	38.3	41%	0.412	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	-131.2	176.8	0	0	0	0	0	113.1	I161 A166 S167	I161-G164 PolarHBondContact O-N 3.42Å; G164-A166 PolarHBondContact O-N 3.46Å; G164-S167 WeakPolarHBondContact O-CB 3.24Å; G164-S167 PolarHBondContact O-N 3.31Å; G164-S167 VanDerWaalsContact O-N 3.15Å
165	V	96.7	Very high	97.1	Very high	116 Å²	116	40.2 Å²	40.2	70%	0.703	26%	0.255	S	S	*	.	H	α-helix	trans	-62.9	-22.1	-176.3	69.9	0	0	0	0	113.6	E163 S167 L168 A169	E163-V165 PolarHBondContact O-N 3.36Å; V165-S167 VanDerWaalsContact C-N 3.28Å; V165-S167 PolarHBondContact O-N 3.19Å; V165-L168 WeakPolarHBondContact O-CB 3.43Å; V165-L168 PolarHBondContact O-N 3.03Å; V165-L168 VanDerWaalsContact O-N 3.11Å; V165-A169 PolarHBondContact O-N 3.37Å
166	A	96.9	Very high	97.1	Very high	30 Å²	30	45.4 Å²	45.4	25%	0.248	28%	0.279	C	S	.	.	H	α-helix	trans	-64.2	-35.4	176.6	0	0	0	0	0	111.7	L130 E163 G164 L168 A169 G170	L130-A166 HydrophobicContact CB-CB 4.3Å; L130-A166 HydrophobicContact CD2-CB 4.4Å; E163-A166 HydrophobicContact CB-CB 4.47Å; E163-A166 WeakPolarHBondContact O-CB 3.5Å; E163-A166 PolarHBondContact O-N 2.82Å; G164-A166 PolarHBondContact O-N 3.46Å; A166-L168 VanDerWaalsContact C-N 3.35Å; A166-A169 PolarHBondContact O-N 2.93Å; A166-G170 PolarHBondContact O-N 2.89Å
167	S	96.5	Very high	97.2	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.007	29%	0.29	C	S	.	.	H	α-helix	trans	-63.9	-40.7	172.2	-178.1	0	0	0	0	111.5	L128 A159 R160 G164 V165 G170 Y171	L128-S167 VanDerWaalsContact CD2-O 3.31Å; L128-S167 WeakPolarHBondContact CD2-O 3.44Å; L128-S167 WeakPolarHBondContact O-CB 3.44Å; L128-S167 PolarHBondContact O-OG 3.5Å; A159-S167 WeakPolarHBondContact CA-OG 3.32Å; A159-S167 WeakPolarHBondContact CB-OG 3.31Å; R160-S167 PolarHBondContact N-OG 2.9Å; G164-S167 WeakPolarHBondContact O-CB 3.24Å; G164-S167 PolarHBondContact O-N 3.31Å; G164-S167 VanDerWaalsContact O-N 3.15Å; V165-S167 VanDerWaalsContact C-N 3.28Å; V165-S167 PolarHBondContact O-N 3.19Å; S167-G170 PolarHBondContact O-N 2.66Å; S167-Y171 WeakPolarHBondContact O-CD2 3.25Å; S167-Y171 PolarHBondContact O-N 2.71Å
168	L	97.2	Very high	97.5	Very high	103 Å²	103	46.2 Å²	46.2	54%	0.539	27%	0.268	S	S	.	.	H	α-helix	trans	-67.7	-40	177.6	-58.1	-177.8	0	0	0	112.5	V165 A166 G170 Y171 A172	V165-L168 WeakPolarHBondContact O-CB 3.43Å; V165-L168 PolarHBondContact O-N 3.03Å; V165-L168 VanDerWaalsContact O-N 3.11Å; A166-L168 VanDerWaalsContact C-N 3.35Å; L168-G170 VanDerWaalsContact C-N 3.28Å; L168-G170 PolarHBondContact O-N 2.89Å; L168-Y171 WeakPolarHBondContact O-CB 3.42Å; L168-Y171 PolarHBondContact O-N 3.06Å; L168-A172 PolarHBondContact O-N 3.21Å
169	A	97.9	Very high	97.6	Very high	45 Å²	45	50 Å²	50	37%	0.372	29%	0.29	S	S	.	.	H	α-helix	trans	-59.8	-42.8	172.4	0	0	0	0	0	110.8	V165 A166 Y171 A172 D173	V165-A169 PolarHBondContact O-N 3.37Å; A166-A169 PolarHBondContact O-N 2.93Å; A169-Y171 VanDerWaalsContact C-N 3.33Å; A169-Y171 PolarHBondContact O-N 3.34Å; A169-A172 PolarHBondContact O-N 3.08Å; A169-A172 VanDerWaalsContact O-N 3.17Å; A169-D173 PolarHBondContact O-N 3.12Å
170	G	98.1	Very high	97.7	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-57.7	-41.5	174	0	0	0	0	0	113.5	A133 A166 S167 L168 D173 I174	A133-G170 WeakPolarHBondContact CB-O 3.46Å; A166-G170 PolarHBondContact O-N 2.89Å; S167-G170 PolarHBondContact O-N 2.66Å; L168-G170 VanDerWaalsContact C-N 3.28Å; L168-G170 PolarHBondContact O-N 2.89Å; G170-D173 PolarHBondContact O-N 3.32Å; G170-I174 WeakPolarHBondContact O-CG1 3.14Å; G170-I174 PolarHBondContact O-N 3.45Å
171	Y	98.3	Very high	97.8	Very high	10 Å²	10	52.5 Å²	52.5	4%	0.039	30%	0.299	C	S	.	.	H	α-helix	trans	-61.1	-49.2	172.5	-83.9	-60.6	0	0	0	112.4	L128 G158 A159 S167 L168 A169 D173 I174 F175 A199	L128-Y171 HydrophobicContact CB-CE1 4.28Å; L128-Y171 HydrophobicContact CB-CE2 4.15Å; L128-Y171 HydrophobicContact CD1-CD1 3.93Å; L128-Y171 HydrophobicContact CD1-CE1 3.61Å; L128-Y171 HydrophobicContact CD2-CD1 4.42Å; L128-Y171 HydrophobicContact CD2-CD2 4Å; L128-Y171 HydrophobicContact CD2-CE1 4.38Å; L128-Y171 HydrophobicContact CD2-CE2 3.96Å; L128-Y171 HydrophobicContact CD2-CG 4.22Å; L128-Y171 HydrophobicContact CG-CE1 4.3Å; L128-Y171 HydrophobicContact CG-CE2 4.45Å; G158-Y171 WeakPolarHBondContact CA-OH 3.13Å; G158-Y171 PolarHBondContact O-OH 2.72Å; A159-Y171 HydrophobicContact CB-CE2 3.84Å; A159-Y171 PolarHBondContact N-OH 2.81Å; S167-Y171 WeakPolarHBondContact O-CD2 3.25Å; S167-Y171 PolarHBondContact O-N 2.71Å; L168-Y171 WeakPolarHBondContact O-CB 3.42Å; L168-Y171 PolarHBondContact O-N 3.06Å; A169-Y171 VanDerWaalsContact C-N 3.33Å; A169-Y171 PolarHBondContact O-N 3.34Å; Y171-D173 VanDerWaalsContact C-N 3.28Å; Y171-D173 PolarHBondContact O-N 3Å; Y171-I174 PolarHBondContact O-N 3.26Å; Y171-I174 VanDerWaalsContact O-N 3.12Å; Y171-F175 HydrophobicContact CD1-CE1 4.06Å; Y171-F175 AromaticContact CD1-CZ 3.82Å; Y171-F175 HydrophobicContact CD1-CZ 3.82Å; Y171-F175 HydrophobicContact CG-CZ 4.04Å; Y171-F175 WeakPolarHBondContact O-CD1 3.33Å; Y171-F175 WeakPolarHBondContact O-CD2 3.46Å; Y171-F175 WeakPolarHBondContact O-CG 3.28Å; Y171-F175 PolarHBondContact O-N 3.38Å; Y171-A199 VanDerWaalsContact CE1-CA 3.5Å; Y171-A199 HydrophobicContact CE1-CB 4.04Å
172	A	98.4	Very high	97.9	Very high	52 Å²	52	49 Å²	49	43%	0.43	29%	0.287	S	S	.	.	H	α-helix	trans	-59.6	-39.1	-179.7	0	0	0	0	0	112.2	L168 A169 I174 F175 Q176	L168-A172 PolarHBondContact O-N 3.21Å; A169-A172 PolarHBondContact O-N 3.08Å; A169-A172 VanDerWaalsContact O-N 3.17Å; A172-I174 VanDerWaalsContact C-N 3.32Å; A172-I174 PolarHBondContact O-N 3.44Å; A172-F175 PolarHBondContact O-N 3.44Å; A172-Q176 PolarHBondContact O-N 3.42Å
173	D	98.6	Very high	98	Very high	73 Å²	73	46.3 Å²	46.3	39%	0.39	28%	0.279	S	S	.	.	H	α-helix	trans	-63	-36.3	176.5	-76.7	-20.9	0	0	0	112.8	A169 G170 Y171 R177	A169-D173 PolarHBondContact O-N 3.12Å; G170-D173 PolarHBondContact O-N 3.32Å; Y171-D173 VanDerWaalsContact C-N 3.28Å; Y171-D173 PolarHBondContact O-N 3Å; D173-R177 PolarHBondContact O-NH1 3.15Å
174	I	98.8	Very high	98.1	Very high	5 Å²	5	47.4 Å²	47.4	3%	0.026	29%	0.287	C	S	.	.	H	α-helix	trans	-70.2	-46.9	173.5	-67.2	169.1	0	0	0	110.1	L128 A133 I136 M140 G170 Y171 A172 Q176 R177 N178 S202	L128-I174 HydrophobicContact CD1-CD1 3.59Å; A133-I174 HydrophobicContact CB-CD1 4.15Å; A133-I174 HydrophobicContact CB-CG1 4.49Å; I136-I174 HydrophobicContact CB-CD1 4.09Å; I136-I174 HydrophobicContact CB-CG1 4.3Å; I136-I174 HydrophobicContact CD1-CD1 4.03Å; I136-I174 HydrophobicContact CG2-CD1 4.01Å; I136-I174 HydrophobicContact CG2-CG1 4Å; I136-I174 HydrophobicContact CG2-CG2 4.36Å; M140-I174 HydrophobicContact SD-CG2 4.18Å; G170-I174 WeakPolarHBondContact O-CG1 3.14Å; G170-I174 PolarHBondContact O-N 3.45Å; Y171-I174 PolarHBondContact O-N 3.26Å; Y171-I174 VanDerWaalsContact O-N 3.12Å; A172-I174 VanDerWaalsContact C-N 3.32Å; A172-I174 PolarHBondContact O-N 3.44Å; I174-Q176 VanDerWaalsContact C-N 3.31Å; I174-Q176 PolarHBondContact O-N 3.21Å; I174-R177 WeakPolarHBondContact O-CA 3.42Å; I174-R177 WeakPolarHBondContact O-CB 3.42Å; I174-R177 PolarHBondContact O-N 3Å; I174-N178 WeakPolarHBondContact CG2-OD1 3.44Å; I174-N178 PolarHBondContact O-N 2.85Å; I174-N178 PolarHBondContact O-OD1 3.02Å; I174-S202 WeakPolarHBondContact CG2-OG 3.42Å
175	F	98.8	Very high	98.3	Very high	45 Å²	45	45.6 Å²	45.6	20%	0.197	27%	0.268	C	S	.	.	H	α-helix	trans	-59	-43	-178.5	-57.4	-24.3	0	0	0	111.8	Y171 A172 R177 N178 V179 G198 Y201 L205	Y171-F175 HydrophobicContact CD1-CE1 4.06Å; Y171-F175 AromaticContact CD1-CZ 3.82Å; Y171-F175 HydrophobicContact CD1-CZ 3.82Å; Y171-F175 HydrophobicContact CG-CZ 4.04Å; Y171-F175 WeakPolarHBondContact O-CD1 3.33Å; Y171-F175 WeakPolarHBondContact O-CD2 3.46Å; Y171-F175 WeakPolarHBondContact O-CG 3.28Å; Y171-F175 PolarHBondContact O-N 3.38Å; A172-F175 PolarHBondContact O-N 3.44Å; F175-R177 PolarHBondContact O-N 3.5Å; F175-N178 WeakPolarHBondContact O-CB 3.49Å; F175-N178 PolarHBondContact O-N 3.01Å; F175-N178 VanDerWaalsContact O-N 3.14Å; F175-V179 WeakPolarHBondContact O-CG2 3.36Å; F175-V179 PolarHBondContact O-N 3.31Å; F175-G198 VanDerWaalsContact CZ-O 3.32Å; F175-G198 WeakPolarHBondContact CZ-O 3.5Å; F175-Y201 HydrophobicContact CZ-CD2 4.48Å; F175-L205 HydrophobicContact CB-CD1 4.02Å; F175-L205 HydrophobicContact CD1-CD1 4.32Å; F175-L205 HydrophobicContact CG-CD1 4.35Å
176	Q	98.8	Very high	98.4	Very high	108 Å²	108	40 Å²	40	51%	0.505	24%	0.235	S	C	.	.	H	α-helix	trans	-59.8	-37.1	177.2	-174.8	59.4	66.4	0	0	111.8	A172 I174 N180	A172-Q176 PolarHBondContact O-N 3.42Å; I174-Q176 VanDerWaalsContact C-N 3.31Å; I174-Q176 PolarHBondContact O-N 3.21Å; Q176-N180 PolarHBondContact NE2-OD1 3.21Å; Q176-N180 WeakPolarHBondContact O-CB 3.18Å; Q176-N180 PolarHBondContact O-N 3.08Å; Q176-N180 PolarHBondContact O-ND2 3.32Å; Q176-N180 PolarHBondContact O-OD1 3.39Å
177	R	98.8	Very high	98.5	Very high	60 Å²	60	38.6 Å²	38.6	23%	0.226	22%	0.223	C	C	.	.	H	α-helix	trans	-72.1	-37.4	176.1	-72.6	168.3	171.3	76.8	2.4	112.4	C137 M140 D141 D173 I174 F175 V179 N180 A181	C137-R177 PolarHBondContact O-NE 3.4Å; M140-R177 HydrophobicContact CB-CB 4.24Å; M140-R177 HydrophobicContact CE-CB 3.57Å; M140-R177 HydrophobicContact SD-CB 3.86Å; D141-R177 WeakPolarHBondContact OD1-CD 3.09Å; D141-R177 IonicContact OD1-CZ 2.81Å; D141-R177 IonicContact OD1-NE 2.88Å; D141-R177 PolarHBondContact OD1-NE 3.44Å; D141-R177 IonicContact OD1-NH2 3.6Å; D141-R177 IonicContact OD2-CZ 3.79Å; D141-R177 IonicContact OD2-NE 3.91Å; D141-R177 PolarHBondContact OD2-NE 3.47Å; D141-R177 VanDerWaalsContact OD2-NE 3.12Å; D141-R177 IonicContact OD2-NH2 3.69Å; D141-R177 PolarHBondContact OD2-NH2 2.99Å; D173-R177 PolarHBondContact O-NH1 3.15Å; I174-R177 WeakPolarHBondContact O-CA 3.42Å; I174-R177 WeakPolarHBondContact O-CB 3.42Å; I174-R177 PolarHBondContact O-N 3Å; F175-R177 PolarHBondContact O-N 3.5Å; R177-V179 VanDerWaalsContact C-N 3.29Å; R177-V179 PolarHBondContact O-N 2.92Å; R177-N180 PolarHBondContact O-N 3.49Å; R177-A181 VanDerWaalsContact O-CB 3.24Å; R177-A181 WeakPolarHBondContact O-CB 3.46Å; R177-A181 PolarHBondContact O-N 3.23Å
178	N	98.9	Very high	98.6	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.021	22%	0.223	C	C	.	.	H	α-helix	trans	-58.8	-45.6	173.9	-71.3	124.3	0	0	0	110.8	M140 I174 F175 A181 S182 Q187 S202 L205	M140-N178 HydrophobicContact CE-CB 4.34Å; M140-N178 VanDerWaalsContact CE-ND2 3.26Å; M140-N178 WeakPolarHBondContact CE-ND2 3.37Å; I174-N178 WeakPolarHBondContact CG2-OD1 3.44Å; I174-N178 PolarHBondContact O-N 2.85Å; I174-N178 PolarHBondContact O-OD1 3.02Å; F175-N178 WeakPolarHBondContact O-CB 3.49Å; F175-N178 PolarHBondContact O-N 3.01Å; F175-N178 VanDerWaalsContact O-N 3.14Å; N178-A181 PolarHBondContact O-N 2.97Å; N178-S182 PolarHBondContact O-N 3.26Å; N178-Q187 VanDerWaalsContact CA-OE1 3.31Å; N178-Q187 PolarHBondContact ND2-OE1 3.03Å; N178-Q187 PolarHBondContact O-NE2 2.98Å; N178-S202 WeakPolarHBondContact OD1-CB 3.43Å; N178-S202 PolarHBondContact OD1-OG 2.87Å; N178-L205 HydrophobicContact CB-CB 3.79Å; N178-L205 HydrophobicContact CB-CD1 4.17Å
179	V	98.8	Very high	98.7	Very high	81 Å²	81	33.8 Å²	33.8	49%	0.491	20%	0.197	S	C	.	.	H	α-helix	trans	-63.7	-46.2	177.6	174.2	0	0	0	0	111.1	F175 R177 A181 S182 L205	F175-V179 WeakPolarHBondContact O-CG2 3.36Å; F175-V179 PolarHBondContact O-N 3.31Å; R177-V179 VanDerWaalsContact C-N 3.29Å; R177-V179 PolarHBondContact O-N 2.92Å; V179-A181 PolarHBondContact O-N 3.34Å; V179-S182 WeakPolarHBondContact O-CB 3.36Å; V179-S182 PolarHBondContact O-N 2.77Å; V179-L205 HydrophobicContact CG2-CD1 4.33Å; V179-L205 HydrophobicContact CG2-CD2 4.29Å
180	N	98.7	Very high	98.7	Very high	92 Å²	92	31.6 Å²	31.6	49%	0.492	18%	0.18	S	C	.	.	H	α-helix	trans	-64	-29.2	178.8	-69.1	-9.8	0	0	0	113	M144 Q176 R177	M144-N180 WeakPolarHBondContact CE-O 3.46Å; Q176-N180 PolarHBondContact NE2-OD1 3.21Å; Q176-N180 WeakPolarHBondContact O-CB 3.18Å; Q176-N180 PolarHBondContact O-N 3.08Å; Q176-N180 PolarHBondContact O-ND2 3.32Å; Q176-N180 PolarHBondContact O-OD1 3.39Å; R177-N180 PolarHBondContact O-N 3.49Å
181	A	98.8	Very high	98.8	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.008	18%	0.18	C	C	.	.	H	α-helix	trans	-87.7	-12.8	178.9	0	0	0	0	0	114.1	M144 R177 N178 V179 G183 V184 I185 Q187	M144-A181 HydrophobicContact CG-CB 4.05Å; M144-A181 VanDerWaalsContact SD-CA 3.5Å; M144-A181 HydrophobicContact SD-CB 3.55Å; M144-A181 VanDerWaalsContact SD-CB 3.55Å; R177-A181 VanDerWaalsContact O-CB 3.24Å; R177-A181 WeakPolarHBondContact O-CB 3.46Å; R177-A181 PolarHBondContact O-N 3.23Å; N178-A181 PolarHBondContact O-N 2.97Å; V179-A181 PolarHBondContact O-N 3.34Å; A181-G183 PolarHBondContact O-N 3.22Å; A181-V184 PolarHBondContact O-N 3.19Å; A181-I185 HydrophobicContact CB-CD1 4.19Å; A181-I185 HydrophobicContact CB-CG1 3.85Å; A181-I185 PolarHBondContact O-N 3.3Å; A181-Q187 HydrophobicContact CB-CG 4.26Å; A181-Q187 PolarHBondContact O-NE2 3.44Å
182	S	98.8	Very high	98.8	Very high	68 Å²	68	31.1 Å²	31.1	48%	0.476	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	121.4	-175.7	-171.2	0	0	0	0	111	N178 V179 V184 Q187	N178-S182 PolarHBondContact O-N 3.26Å; V179-S182 WeakPolarHBondContact O-CB 3.36Å; V179-S182 PolarHBondContact O-N 2.77Å; S182-V184 PolarHBondContact O-N 2.88Å; S182-Q187 VanDerWaalsContact N-NE2 3.18Å
183	G	98.5	Very high	98.8	Very high	18 Å²	18	28.7 Å²	28.7	19%	0.186	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	69	14	-174.5	0	0	0	0	0	114.8	A181 N277	A181-G183 PolarHBondContact O-N 3.22Å; G183-N277 WeakPolarHBondContact O-CB 3.44Å; G183-N277 PolarHBondContact O-ND2 2.88Å
184	V	98.8	Very high	98.7	Very high	44 Å²	44	25.8 Å²	25.8	27%	0.267	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111	-53.3	176.2	-176.7	0	0	0	0	110.9	M144 A181 S182 S276 N277	M144-V184 HydrophobicContact CE-CB 4.15Å; M144-V184 HydrophobicContact CE-CG1 3.82Å; M144-V184 HydrophobicContact CE-CG2 4.41Å; M144-V184 HydrophobicContact SD-CB 4.03Å; M144-V184 HydrophobicContact SD-CG1 3.85Å; A181-V184 PolarHBondContact O-N 3.19Å; S182-V184 PolarHBondContact O-N 2.88Å; V184-S276 CarbonylContact O-C 3.19Å; V184-S276 VanDerWaalsContact O-CA 3.28Å; V184-S276 WeakPolarHBondContact O-CA 3.42Å; V184-S276 WeakPolarHBondContact O-CB 3.41Å; V184-N277 PolarHBondContact O-N 3Å
185	I	98.9	Very high	98.6	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	14%	0.141	C	C	.	.	S	Bend	trans	-124.8	145.6	171.7	57.7	171.4	0	0	0	108.7	A143 M144 A148 V150 A181 Q187 F379	A143-I185 HydrophobicContact CB-CD1 3.63Å; M144-I185 HydrophobicContact CG-CD1 3.9Å; M144-I185 HydrophobicContact CG-CG1 4.45Å; M144-I185 HydrophobicContact SD-CD1 3.92Å; M144-I185 HydrophobicContact SD-CG1 3.8Å; M144-I185 HydrophobicContact SD-CG2 4.3Å; A148-I185 WeakPolarHBondContact O-CB 3.45Å; A148-I185 WeakPolarHBondContact O-CD1 3.4Å; V150-I185 HydrophobicContact CG1-CD1 4.21Å; A181-I185 HydrophobicContact CB-CD1 4.19Å; A181-I185 HydrophobicContact CB-CG1 3.85Å; A181-I185 PolarHBondContact O-N 3.3Å; I185-Q187 PolarHBondContact O-N 3.31Å; I185-F379 VanDerWaalsContact C-CZ 3.47Å
186	P	98.9	Very high	98.3	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.139	C	C	.	.			trans	-62.9	130.1	174.8	-20.7	32.2	0	0	0	111	P149 V150 I188 D207 L273 P274 L275 F379	P149-P186 VanDerWaalsContact CA-O 3.3Å; P149-P186 WeakPolarHBondContact CA-O 3.33Å; P149-P186 HydrophobicContact CB-CB 4.2Å; P149-P186 HydrophobicContact CB-CG 4.42Å; P149-P186 HydrophobicContact CG-CB 4.42Å; P149-P186 HydrophobicContact CG-CG 4.15Å; V150-P186 PolarHBondContact N-O 2.76Å; P186-I188 HydrophobicContact CB-CD1 3.96Å; P186-D207 WeakPolarHBondContact CA-OD2 3.37Å; P186-L273 HydrophobicContact CB-CD1 3.88Å; P186-L273 HydrophobicContact CG-CB 4.38Å; P186-L273 HydrophobicContact CG-CD1 4.37Å; P186-P274 WeakPolarHBondContact CG-O 3.2Å; P186-L275 WeakPolarHBondContact CD-O 3.46Å; P186-F379 HydrophobicContact CG-CD1 4.15Å; P186-F379 HydrophobicContact CG-CE1 3.81Å; P186-F379 HydrophobicContact CG-CZ 4.21Å
187	Q	98.9	Very high	98.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	118.3	177.4	-59.3	179.6	75.2	0	0	109.1	V150 N178 A181 S182 I185 T206 D207 F208	V150-Q187 HydrophobicContact CG1-CB 4.2Å; V150-Q187 HydrophobicContact CG1-CG 3.77Å; N178-Q187 VanDerWaalsContact CA-OE1 3.31Å; N178-Q187 PolarHBondContact ND2-OE1 3.03Å; N178-Q187 PolarHBondContact O-NE2 2.98Å; A181-Q187 HydrophobicContact CB-CG 4.26Å; A181-Q187 PolarHBondContact O-NE2 3.44Å; S182-Q187 VanDerWaalsContact N-NE2 3.18Å; I185-Q187 PolarHBondContact O-N 3.31Å; Q187-T206 HydrophobicContact CB-CG2 3.86Å; Q187-T206 WeakPolarHBondContact O-CB 3.44Å; Q187-D207 PolarHBondContact N-OD2 2.61Å; Q187-D207 WeakPolarHBondContact O-CB 3.28Å; Q187-D207 PolarHBondContact O-N 2.98Å; Q187-F208 PolarHBondContact O-N 3.23Å
188	I	98.9	Very high	97.7	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	129.9	179.6	-57.8	78.8	0	0	0	109.1	V150 V151 G152 P186 F210 L266 F269 L270 L273	V150-I188 PolarHBondContact O-N 3.31Å; V151-I188 CarbonylContact C-O 3.46Å; V151-I188 WeakPolarHBondContact CA-O 3.48Å; V151-I188 HydrophobicContact CG2-CB 4.47Å; G152-I188 PolarHBondContact N-O 3.02Å; P186-I188 HydrophobicContact CB-CD1 3.96Å; I188-F210 HydrophobicContact CG2-CD2 4.02Å; I188-F210 HydrophobicContact CG2-CE2 4.14Å; I188-L266 HydrophobicContact CB-CD1 4.4Å; I188-L266 HydrophobicContact CG1-CD1 4.44Å; I188-L266 HydrophobicContact CG2-CD1 3.74Å; I188-F269 HydrophobicContact CG1-CD1 4.47Å; I188-F269 HydrophobicContact CG1-CE1 4.06Å; I188-L270 HydrophobicContact CD1-CD2 3.92Å; I188-L273 HydrophobicContact CD1-CD1 4.25Å
189	S	98.9	Very high	97.5	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.007	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	127.8	169.6	-70.3	0	0	0	0	110.6	G152 P203 T206 F208 I209 F210	G152-S189 WeakPolarHBondContact O-CA 3.37Å; S189-P203 WeakPolarHBondContact OG-CA 3.33Å; S189-T206 WeakPolarHBondContact OG-CG2 3.44Å; S189-T206 PolarHBondContact OG-OG1 2.95Å; S189-F208 PolarHBondContact N-O 3.33Å; S189-I209 CarbonylContact O-C 3.59Å; S189-I209 VanDerWaalsContact O-CA 3.31Å; S189-I209 WeakPolarHBondContact O-CA 3.27Å; S189-F210 PolarHBondContact O-N 2.73Å
190	L	98.8	Very high	97.5	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	111.9	173.5	-171.5	60.8	0	0	0	108.4	G152 L153 N154 L192 F210 A262 L263 L266	G152-L190 PolarHBondContact O-N 2.92Å; L153-L190 HydrophobicContact CD2-CB 3.87Å; L153-L190 HydrophobicContact CD2-CD2 3.98Å; L153-L190 HydrophobicContact CD2-CG 4.47Å; N154-L190 PolarHBondContact N-O 2.97Å; L190-L192 HydrophobicContact CD1-CD2 4.31Å; L190-L192 HydrophobicContact CD2-CD1 4.08Å; L190-L192 HydrophobicContact CD2-CD2 3.76Å; L190-L192 HydrophobicContact CD2-CG 4.13Å; L190-L192 HydrophobicContact CG-CD1 4.23Å; L190-L192 HydrophobicContact CG-CD2 3.62Å; L190-L192 HydrophobicContact CG-CG 3.82Å; L190-L192 PolarHBondContact O-N 3.32Å; L190-F210 WeakPolarHBondContact CA-O 3.44Å; L190-F210 HydrophobicContact CD1-CB 3.34Å; L190-F210 HydrophobicContact CD1-CG 4.47Å; L190-A262 HydrophobicContact CD1-CB 4.05Å; L190-A262 HydrophobicContact CD2-CB 4.07Å; L190-L263 HydrophobicContact CD2-CD2 3.68Å; L190-L263 HydrophobicContact CD2-CG 4.2Å; L190-L266 HydrophobicContact CD2-CD2 4.27Å
191	I	98.8	Very high	97.4	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	110	-179.8	-41.8	-54.7	0	0	0	107.7	N154 G193 C195 P203 I209 F210 M211 V212 S216 L218	N154-I191 HydrophobicContact CB-CD1 3.76Å; I191-G193 WeakPolarHBondContact CG2-O 3.31Å; I191-C195 HydrophobicContact CG2-CB 3.99Å; I191-P203 HydrophobicContact CD1-CB 4.07Å; I191-P203 HydrophobicContact CD1-CG 3.83Å; I191-I209 HydrophobicContact CD1-CG2 4.25Å; I191-I209 HydrophobicContact CG1-CG2 3.84Å; I191-F210 PolarHBondContact N-O 3.33Å; I191-M211 HydrophobicContact CB-CG 4.1Å; I191-M211 HydrophobicContact CG1-CG 4.12Å; I191-V212 PolarHBondContact O-N 3.5Å; I191-S216 WeakPolarHBondContact O-CB 3.32Å; I191-S216 PolarHBondContact O-OG 2.76Å; I191-L218 HydrophobicContact CD1-CD1 4.44Å; I191-L218 HydrophobicContact CD1-CD2 4.11Å; I191-L218 HydrophobicContact CG1-CD1 3.87Å; I191-L218 HydrophobicContact CG1-CD2 4.25Å; I191-L218 HydrophobicContact CG1-CG 4.13Å; I191-L218 HydrophobicContact CG2-CG 4.24Å
192	L	98.5	Very high	97.4	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	20.9	-174.1	-58.7	171.3	0	0	0	111.2	K60 R66 L153 N154 L190 V212 A262	K60-L192 WeakPolarHBondContact CE-O 3.2Å; R66-L192 VanDerWaalsContact CD-CD1 3.47Å; R66-L192 HydrophobicContact CG-CD1 4.08Å; R66-L192 VanDerWaalsContact NH2-CB 3.34Å; R66-L192 PolarHBondContact NH2-O 3.07Å; L153-L192 HydrophobicContact CB-CD1 4.04Å; L153-L192 HydrophobicContact CD2-CD1 4.31Å; N154-L192 PolarHBondContact O-N 3.08Å; L190-L192 HydrophobicContact CD1-CD2 4.31Å; L190-L192 HydrophobicContact CD2-CD1 4.08Å; L190-L192 HydrophobicContact CD2-CD2 3.76Å; L190-L192 HydrophobicContact CD2-CG 4.13Å; L190-L192 HydrophobicContact CG-CD1 4.23Å; L190-L192 HydrophobicContact CG-CD2 3.62Å; L190-L192 HydrophobicContact CG-CG 3.82Å; L190-L192 PolarHBondContact O-N 3.32Å; L192-V212 HydrophobicContact CD2-CG2 3.5Å; L192-V212 VanDerWaalsContact CD2-CG2 3.5Å; L192-A262 HydrophobicContact CD2-CB 4.39Å
193	G	98.1	Very high	97.4	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.2	-163.6	-172.7	0	0	0	0	0	112.5	D155 I191 T215 S216 Y217	D155-G193 WeakPolarHBondContact OD1-CA 3.31Å; I191-G193 WeakPolarHBondContact CG2-O 3.31Å; G193-T215 WeakPolarHBondContact CA-O 3.47Å; G193-S216 WeakPolarHBondContact O-CA 3.4Å; G193-Y217 PolarHBondContact O-N 3.18Å; G193-Y217 VanDerWaalsContact O-N 3.14Å
194	P	97.1	Very high	97.4	Very high	13 Å²	13	15 Å²	15	8%	0.084	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	141.7	170.4	-23.3	36.5	0	0	0	110.8	F121 D155 S156 Y217	F121-P194 HydrophobicContact CE2-CB 4.34Å; F121-P194 HydrophobicContact CE2-CG 3.78Å; F121-P194 HydrophobicContact CZ-CG 4.08Å; D155-P194 WeakPolarHBondContact OD1-CD 3.28Å; S156-P194 CarbonylContact C-O 3.55Å; S156-P194 PolarHBondContact N-O 3.46Å; S156-P194 CarbonylContact O-C 3.47Å; S156-P194 VanDerWaalsContact O-C 3.27Å; P194-Y217 HydrophobicContact CB-CD2 4.34Å; P194-Y217 HydrophobicContact CB-CE1 4.35Å; P194-Y217 HydrophobicContact CB-CE2 3.49Å; P194-Y217 VanDerWaalsContact CB-CE2 3.49Å; P194-Y217 WeakPolarHBondContact CB-OH 3.35Å; P194-Y217 HydrophobicContact CG-CE1 4.1Å; P194-Y217 HydrophobicContact CG-CE2 4.1Å; P194-Y217 VanDerWaalsContact CG-OH 3.31Å; P194-Y217 WeakPolarHBondContact CG-OH 3.23Å
195	C	97.5	Very high	97.4	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	98.8	166.9	-172.6	0	0	0	0	107.8	S156 I191 V200 Y217 L218 F219	S156-C195 WeakPolarHBondContact O-CA 3.17Å; I191-C195 HydrophobicContact CG2-CB 3.99Å; C195-V200 WeakPolarHBondContact O-CG1 3.49Å; C195-Y217 PolarHBondContact N-O 3.24Å; C195-L218 HydrophobicContact CB-CD2 3.48Å; C195-L218 VanDerWaalsContact CB-CD2 3.48Å; C195-L218 HydrophobicContact CB-CG 4.25Å; C195-L218 WeakPolarHBondContact O-CA 3.3Å; C195-L218 WeakPolarHBondContact SG-CD2 3.09Å; C195-F219 PolarHBondContact O-N 2.94Å
196	A	92.9	Very high	97.4	Very high	17 Å²	17	16.1 Å²	16.1	14%	0.14	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	151.4	-168.9	0	0	0	0	0	113.1	G158 A199 F219	G158-A196 WeakPolarHBondContact CA-O 3.32Å; A196-A199 WeakPolarHBondContact O-CB 3.49Å; A196-A199 PolarHBondContact O-N 2.94Å; A196-F219 CarbonylContact C-O 3.44Å; A196-F219 WeakPolarHBondContact CA-O 3.38Å; A196-F219 HydrophobicContact CB-CD2 4.13Å; A196-F219 HydrophobicContact CB-CE2 3.64Å; A196-F219 HydrophobicContact CB-CZ 4.35Å
197	G	93.2	Very high	97.4	Very high	23 Å²	23	17 Å²	17	24%	0.237	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	67.6	-134.3	174.3	0	0	0	0	0	112.2	A199 V200 F219 I220	G197-A199 PolarHBondContact O-N 3.33Å; G197-A199 VanDerWaalsContact O-N 3.14Å; G197-V200 WeakPolarHBondContact O-CG2 3.31Å; G197-V200 PolarHBondContact O-N 3.39Å; G197-F219 PolarHBondContact N-O 2.96Å; G197-I220 VanDerWaalsContact CA-O 3.24Å; G197-I220 WeakPolarHBondContact CA-O 3.41Å; G197-I220 PolarHBondContact N-O 3.2Å
198	G	91.1	Very high	97.4	Very high	27 Å²	27	17.3 Å²	17.3	28%	0.278	11%	0.107	S	C	.	.	G	3₁₀ helix	trans	-60.5	-21.9	179.3	0	0	0	0	0	114.2	F175 V200 Y201	F175-G198 VanDerWaalsContact CZ-O 3.32Å; F175-G198 WeakPolarHBondContact CZ-O 3.5Å; G198-V200 PolarHBondContact O-N 3.12Å; G198-Y201 PolarHBondContact O-N 2.86Å
199	A	95	Very high	97.4	Very high	4 Å²	4	17.3 Å²	17.3	3%	0.033	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-60.7	-28.6	-178.5	0	0	0	0	0	113.5	Y171 A196 G197 Y201 P203	Y171-A199 VanDerWaalsContact CE1-CA 3.5Å; Y171-A199 HydrophobicContact CE1-CB 4.04Å; A196-A199 WeakPolarHBondContact O-CB 3.49Å; A196-A199 PolarHBondContact O-N 2.94Å; G197-A199 PolarHBondContact O-N 3.33Å; G197-A199 VanDerWaalsContact O-N 3.14Å; A199-Y201 VanDerWaalsContact C-N 3.27Å; A199-Y201 PolarHBondContact O-N 3.49Å; A199-P203 WeakPolarHBondContact O-CD 3.5Å
200	V	97.6	Very high	97.4	Very high	16 Å²	16	17.2 Å²	17.2	10%	0.097	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-70.9	-23.2	-175.7	-48.5	0	0	0	0	113.3	C195 G197 G198 P203 A204 L218 F219 I220	C195-V200 WeakPolarHBondContact O-CG1 3.49Å; G197-V200 WeakPolarHBondContact O-CG2 3.31Å; G197-V200 PolarHBondContact O-N 3.39Å; G198-V200 PolarHBondContact O-N 3.12Å; V200-P203 WeakPolarHBondContact O-CD 3.37Å; V200-A204 WeakPolarHBondContact O-CB 3.48Å; V200-A204 PolarHBondContact O-N 3.02Å; V200-A204 VanDerWaalsContact O-N 3.11Å; V200-L218 HydrophobicContact CB-CD2 3.97Å; V200-L218 HydrophobicContact CG1-CB 4.42Å; V200-L218 HydrophobicContact CG1-CD2 3.81Å; V200-F219 WeakPolarHBondContact CG1-O 3.38Å; V200-I220 HydrophobicContact CG2-CG1 3.8Å
201	Y	98.2	Very high	97.4	Very high	114 Å²	114	17.2 Å²	17.2	45%	0.447	11%	0.107	S	C	.	.	H	α-helix	trans	-73.9	-29.1	-175.5	-72	-54.6	0	0	0	113	F175 G198 A199 A204 L205 I220	F175-Y201 HydrophobicContact CZ-CD2 4.48Å; G198-Y201 PolarHBondContact O-N 2.86Å; A199-Y201 VanDerWaalsContact C-N 3.27Å; A199-Y201 PolarHBondContact O-N 3.49Å; Y201-A204 PolarHBondContact O-N 3.46Å; Y201-L205 VanDerWaalsContact O-CG 3.24Å; Y201-L205 WeakPolarHBondContact O-CG 3.28Å; Y201-L205 PolarHBondContact O-N 2.76Å; Y201-L205 VanDerWaalsContact O-N 3.17Å; Y201-I220 HydrophobicContact CE1-CD1 4.32Å; Y201-I220 WeakPolarHBondContact OH-CD1 3.3Å
202	S	98.6	Very high	97.4	Very high	9 Å²	9	17.3 Å²	17.3	6%	0.063	11%	0.107	C	C	.	.	H	α-helix	trans	-65.6	-53	175.5	176.9	0	0	0	0	110.9	I174 N178 A204 L205 T206	I174-S202 WeakPolarHBondContact CG2-OG 3.42Å; N178-S202 WeakPolarHBondContact OD1-CB 3.43Å; N178-S202 PolarHBondContact OD1-OG 2.87Å; S202-A204 VanDerWaalsContact C-N 3.29Å; S202-A204 PolarHBondContact O-N 3.38Å; S202-L205 PolarHBondContact O-N 2.77Å; S202-T206 WeakPolarHBondContact O-CG2 3.13Å; S202-T206 PolarHBondContact O-N 2.97Å
203	P	98.6	Very high	97.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-53.3	-42.6	170.7	-28.8	36.4	0	0	0	113.9	S189 I191 A199 V200 L205 T206 I209	S189-P203 WeakPolarHBondContact OG-CA 3.33Å; I191-P203 HydrophobicContact CD1-CB 4.07Å; I191-P203 HydrophobicContact CD1-CG 3.83Å; A199-P203 WeakPolarHBondContact O-CD 3.5Å; V200-P203 WeakPolarHBondContact O-CD 3.37Å; P203-L205 PolarHBondContact O-N 3.34Å; P203-L205 VanDerWaalsContact O-N 3.16Å; P203-T206 PolarHBondContact O-N 2.87Å; P203-T206 PolarHBondContact O-OG1 3.07Å; P203-I209 VanDerWaalsContact C-CD1 3.47Å; P203-I209 HydrophobicContact CB-CD1 3.96Å; P203-I209 HydrophobicContact CB-CG1 4.16Å; P203-I209 VanDerWaalsContact O-CD1 3.25Å; P203-I209 WeakPolarHBondContact O-CD1 3.35Å; P203-I209 WeakPolarHBondContact O-CG1 3.25Å
204	A	98.5	Very high	97.2	Very high	44 Å²	44	26.1 Å²	26.1	36%	0.364	15%	0.152	S	C	.	.	H	α-helix	trans	-57.5	-31	178.3	0	0	0	0	0	113.5	V200 Y201 S202 R371	V200-A204 WeakPolarHBondContact O-CB 3.48Å; V200-A204 PolarHBondContact O-N 3.02Å; V200-A204 VanDerWaalsContact O-N 3.11Å; Y201-A204 PolarHBondContact O-N 3.46Å; S202-A204 VanDerWaalsContact C-N 3.29Å; S202-A204 PolarHBondContact O-N 3.38Å; A204-R371 PolarHBondContact O-NH2 2.93Å
205	L	98.7	Very high	97.2	Very high	65 Å²	65	27.1 Å²	27.1	34%	0.34	16%	0.158	S	C	.	.	H	α-helix	trans	-85.9	-12.2	177.8	-66.2	168.6	0	0	0	113.9	F175 N178 V179 Y201 S202 P203	F175-L205 HydrophobicContact CB-CD1 4.02Å; F175-L205 HydrophobicContact CD1-CD1 4.32Å; F175-L205 HydrophobicContact CG-CD1 4.35Å; N178-L205 HydrophobicContact CB-CB 3.79Å; N178-L205 HydrophobicContact CB-CD1 4.17Å; V179-L205 HydrophobicContact CG2-CD1 4.33Å; V179-L205 HydrophobicContact CG2-CD2 4.29Å; Y201-L205 VanDerWaalsContact O-CG 3.24Å; Y201-L205 WeakPolarHBondContact O-CG 3.28Å; Y201-L205 PolarHBondContact O-N 2.76Å; Y201-L205 VanDerWaalsContact O-N 3.17Å; S202-L205 PolarHBondContact O-N 2.77Å; P203-L205 PolarHBondContact O-N 3.34Å; P203-L205 VanDerWaalsContact O-N 3.16Å
206	T	98.9	Very high	97.2	Very high	5 Å²	5	27.1 Å²	27.1	3%	0.031	16%	0.158	C	C	.	.	S	Bend	trans	-78	170.4	175	68.3	0	0	0	0	112.3	Q187 S189 S202 P203 F208 R371	Q187-T206 HydrophobicContact CB-CG2 3.86Å; Q187-T206 WeakPolarHBondContact O-CB 3.44Å; S189-T206 WeakPolarHBondContact OG-CG2 3.44Å; S189-T206 PolarHBondContact OG-OG1 2.95Å; S202-T206 WeakPolarHBondContact O-CG2 3.13Å; S202-T206 PolarHBondContact O-N 2.97Å; P203-T206 PolarHBondContact O-N 2.87Å; P203-T206 PolarHBondContact O-OG1 3.07Å; T206-F208 PolarHBondContact OG1-O 3.45Å; T206-R371 PolarHBondContact O-NH2 3.06Å
207	D	98.9	Very high	97.5	Very high	19 Å²	19	28 Å²	28	10%	0.102	16%	0.159	C	C	.	.	S	Bend	trans	-75	-43.7	-176.8	-56.6	-55.5	0	0	0	111.6	P186 Q187 H253 F375	P186-D207 WeakPolarHBondContact CA-OD2 3.37Å; Q187-D207 PolarHBondContact N-OD2 2.61Å; Q187-D207 WeakPolarHBondContact O-CB 3.28Å; Q187-D207 PolarHBondContact O-N 2.98Å; D207-H253 PolarHBondContact O-NE2 3.28Å; D207-F375 HydrophobicContact CB-CD2 3.73Å; D207-F375 HydrophobicContact CB-CE2 3.71Å
208	F	98.9	Very high	97.7	Very high	5 Å²	5	27.2 Å²	27.2	2%	0.022	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	138	-179.3	-58.8	-80.9	0	0	0	112	Q187 S189 T206 F210 H253 F269 I327 F375	Q187-F208 PolarHBondContact O-N 3.23Å; S189-F208 PolarHBondContact N-O 3.33Å; T206-F208 PolarHBondContact OG1-O 3.45Å; F208-F210 HydrophobicContact CB-CE2 4.29Å; F208-F210 HydrophobicContact CB-CZ 4.13Å; F208-H253 HydrophobicContact CD1-CB 4.3Å; F208-H253 AromaticContact CD1-CD2 3.72Å; F208-H253 AromaticContact CD1-CG 3.96Å; F208-F269 HydrophobicContact CD1-CZ 4.15Å; F208-F269 AromaticContact CD2-CE1 3.71Å; F208-F269 HydrophobicContact CD2-CE1 3.71Å; F208-F269 AromaticContact CD2-CZ 3.48Å; F208-F269 HydrophobicContact CD2-CZ 3.48Å; F208-F269 VanDerWaalsContact CD2-CZ 3.48Å; F208-F269 HydrophobicContact CE1-CZ 4.18Å; F208-F269 HydrophobicContact CE2-CE1 4.1Å; F208-F269 AromaticContact CE2-CZ 3.5Å; F208-F269 HydrophobicContact CE2-CZ 3.5Å; F208-F269 HydrophobicContact CG-CE1 4.13Å; F208-F269 AromaticContact CG-CZ 3.81Å; F208-F269 HydrophobicContact CG-CZ 3.81Å; F208-F269 AromaticContact CZ-CZ 3.86Å; F208-F269 HydrophobicContact CZ-CZ 3.86Å; F208-I327 HydrophobicContact CD1-CD1 4.18Å; F208-I327 HydrophobicContact CE1-CD1 4.06Å; F208-I327 HydrophobicContact CE1-CG1 4.34Å; F208-I327 HydrophobicContact CE1-CG2 4.26Å; F208-F375 HydrophobicContact CD2-CE2 4.36Å; F208-F375 HydrophobicContact CE2-CD1 4Å; F208-F375 AromaticContact CE2-CD2 3.81Å; F208-F375 HydrophobicContact CE2-CD2 3.81Å; F208-F375 AromaticContact CE2-CE1 3.65Å; F208-F375 HydrophobicContact CE2-CE1 3.65Å; F208-F375 AromaticContact CE2-CE2 3.43Å; F208-F375 HydrophobicContact CE2-CE2 3.43Å; F208-F375 VanDerWaalsContact CE2-CE2 3.43Å; F208-F375 HydrophobicContact CE2-CG 4.1Å; F208-F375 AromaticContact CE2-CZ 3.38Å; F208-F375 HydrophobicContact CE2-CZ 3.38Å; F208-F375 AromaticContact CZ-CD1 3.64Å; F208-F375 HydrophobicContact CZ-CD1 3.64Å; F208-F375 HydrophobicContact CZ-CD2 4.06Å; F208-F375 AromaticContact CZ-CE1 3.64Å; F208-F375 HydrophobicContact CZ-CE1 3.64Å; F208-F375 HydrophobicContact CZ-CE2 4.06Å; F208-F375 AromaticContact CZ-CG 3.87Å; F208-F375 HydrophobicContact CZ-CG 3.87Å; F208-F375 AromaticContact CZ-CZ 3.89Å; F208-F375 HydrophobicContact CZ-CZ 3.89Å
209	I	98.9	Very high	97.9	Very high	1 Å²	1	27 Å²	27	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	116.7	175	-52.7	177.6	0	0	0	107.4	S189 I191 P203 L218 V251 H253	S189-I209 CarbonylContact O-C 3.59Å; S189-I209 VanDerWaalsContact O-CA 3.31Å; S189-I209 WeakPolarHBondContact O-CA 3.27Å; I191-I209 HydrophobicContact CD1-CG2 4.25Å; I191-I209 HydrophobicContact CG1-CG2 3.84Å; P203-I209 VanDerWaalsContact C-CD1 3.47Å; P203-I209 HydrophobicContact CB-CD1 3.96Å; P203-I209 HydrophobicContact CB-CG1 4.16Å; P203-I209 VanDerWaalsContact O-CD1 3.25Å; P203-I209 WeakPolarHBondContact O-CD1 3.35Å; P203-I209 WeakPolarHBondContact O-CG1 3.25Å; I209-L218 HydrophobicContact CG2-CD1 4.14Å; I209-V251 HydrophobicContact CD1-CG1 3.9Å; I209-H253 PolarHBondContact N-ND1 2.89Å; I209-H253 WeakPolarHBondContact O-CB 3.43Å; I209-H253 PolarHBondContact O-N 3.41Å; I209-H253 PolarHBondContact O-ND1 2.81Å
210	F	98.9	Very high	98	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	150.5	172.5	-64.1	-44	0	0	0	109.9	I188 S189 L190 I191 F208 H253 R254 F256 L266 F269 F325 I327	I188-F210 HydrophobicContact CG2-CD2 4.02Å; I188-F210 HydrophobicContact CG2-CE2 4.14Å; S189-F210 PolarHBondContact O-N 2.73Å; L190-F210 WeakPolarHBondContact CA-O 3.44Å; L190-F210 HydrophobicContact CD1-CB 3.34Å; L190-F210 HydrophobicContact CD1-CG 4.47Å; I191-F210 PolarHBondContact N-O 3.33Å; F208-F210 HydrophobicContact CB-CE2 4.29Å; F208-F210 HydrophobicContact CB-CZ 4.13Å; F210-H253 HydrophobicContact CD1-CB 4.19Å; F210-H253 HydrophobicContact CE1-CB 3.94Å; F210-R254 WeakPolarHBondContact CA-O 3.22Å; F210-R254 HydrophobicContact CD1-CB 3.57Å; F210-R254 HydrophobicContact CE1-CB 3.76Å; F210-F256 HydrophobicContact CB-CD2 4.29Å; F210-F256 HydrophobicContact CB-CE2 3.76Å; F210-F256 HydrophobicContact CD1-CE2 4.12Å; F210-F256 HydrophobicContact CD2-CE2 4.24Å; F210-F256 AromaticContact CG-CE2 3.78Å; F210-F256 HydrophobicContact CG-CE2 3.78Å; F210-F256 HydrophobicContact CG-CZ 4.47Å; F210-L266 HydrophobicContact CE2-CD1 4.36Å; F210-F269 AromaticContact CE2-CD1 3.83Å; F210-F269 HydrophobicContact CE2-CD1 3.83Å; F210-F269 HydrophobicContact CE2-CE1 4.02Å; F210-F269 HydrophobicContact CE2-CG 4.15Å; F210-F269 HydrophobicContact CZ-CD1 4.18Å; F210-F269 HydrophobicContact CZ-CD2 4.27Å; F210-F269 HydrophobicContact CZ-CE1 4.13Å; F210-F269 HydrophobicContact CZ-CE2 4.24Å; F210-F269 HydrophobicContact CZ-CG 4.23Å; F210-F269 HydrophobicContact CZ-CZ 4.17Å; F210-F325 HydrophobicContact CE1-CE1 4.23Å; F210-F325 HydrophobicContact CE1-CZ 4.49Å; F210-F325 AromaticContact CZ-CE1 3.92Å; F210-F325 HydrophobicContact CZ-CE1 3.92Å; F210-F325 HydrophobicContact CZ-CZ 4.08Å; F210-I327 HydrophobicContact CE1-CD1 4.38Å; F210-I327 HydrophobicContact CZ-CD1 4.4Å
211	M	98.7	Very high	97.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	163.6	-177.3	-62.8	-171.1	71.4	0	0	110.9	I191 L218 A242 H245 A252 R254 A255 F256	I191-M211 HydrophobicContact CB-CG 4.1Å; I191-M211 HydrophobicContact CG1-CG 4.12Å; M211-L218 HydrophobicContact CE-CD1 4.19Å; M211-L218 HydrophobicContact CE-CG 4.33Å; M211-L218 HydrophobicContact SD-CD1 3.99Å; M211-A242 HydrophobicContact CB-CB 3.96Å; M211-A242 HydrophobicContact CE-CB 4.37Å; M211-A242 HydrophobicContact SD-CB 4.49Å; M211-H245 HydrophobicContact SD-CB 3.77Å; M211-A252 HydrophobicContact CG-CB 3.88Å; M211-A252 HydrophobicContact SD-CB 3.62Å; M211-R254 PolarHBondContact N-O 2.91Å; M211-A255 HydrophobicContact CB-CB 4.49Å; M211-A255 CarbonylContact O-C 3.54Å; M211-A255 VanDerWaalsContact O-CA 3.24Å; M211-A255 WeakPolarHBondContact O-CA 3.23Å; M211-F256 PolarHBondContact O-N 2.9Å
212	V	98.6	Very high	97.5	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	133.6	169.6	176.9	0	0	0	0	109.5	I191 L192 T215 S216 F256 N258 A262	I191-V212 PolarHBondContact O-N 3.5Å; L192-V212 HydrophobicContact CD2-CG2 3.5Å; L192-V212 VanDerWaalsContact CD2-CG2 3.5Å; V212-T215 WeakPolarHBondContact CG1-OG1 3.37Å; V212-S216 PolarHBondContact N-OG 3.41Å; V212-S216 WeakPolarHBondContact O-CB 3.43Å; V212-S216 PolarHBondContact O-N 3.16Å; V212-S216 PolarHBondContact O-OG 3.18Å; V212-F256 WeakPolarHBondContact CA-O 3.33Å; V212-N258 VanDerWaalsContact CG1-CA 3.44Å; V212-A262 HydrophobicContact CG2-CB 3.77Å
213	H	97.6	Very high	97.3	Very high	51 Å²	51	29.7 Å²	29.7	24%	0.236	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	141.9	177.4	-74.4	-62.4	0	0	0	111.8	T215 A255 F256	H213-T215 PolarHBondContact O-N 2.9Å; H213-T215 PolarHBondContact O-OG1 3.4Å; H213-A255 WeakPolarHBondContact CE1-CB 3.32Å; H213-A255 VanDerWaalsContact NE2-CB 3.32Å; H213-A255 WeakPolarHBondContact NE2-CB 3.34Å; H213-F256 PolarHBondContact CD2-O 2.99Å; H213-F256 VanDerWaalsContact CD2-O 3.28Å; H213-F256 PolarHBondContact N-O 2.76Å
214	D	96	Very high	97.1	Very high	134 Å²	134	36.4 Å²	36.4	72%	0.717	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.7	-8.9	171.5	-51.2	-41.4	0	0	0	117.8
215	T	96.7	Very high	96.8	Very high	34 Å²	34	38 Å²	38	21%	0.209	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.3	-8.8	-176.2	60.1	0	0	0	0	113.1	K60 G193 V212 H213	K60-T215 HydrophobicContact CG-CG2 4.35Å; G193-T215 WeakPolarHBondContact CA-O 3.47Å; V212-T215 WeakPolarHBondContact CG1-OG1 3.37Å; H213-T215 PolarHBondContact O-N 2.9Å; H213-T215 PolarHBondContact O-OG1 3.4Å
216	S	97.7	Very high	96.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.198	C	C	.	.			trans	-129.6	145.6	-177.2	78.4	0	0	0	0	112.7	I191 G193 V212	I191-S216 WeakPolarHBondContact O-CB 3.32Å; I191-S216 PolarHBondContact O-OG 2.76Å; G193-S216 WeakPolarHBondContact O-CA 3.4Å; V212-S216 PolarHBondContact N-OG 3.41Å; V212-S216 WeakPolarHBondContact O-CB 3.43Å; V212-S216 PolarHBondContact O-N 3.16Å; V212-S216 PolarHBondContact O-OG 3.18Å
217	Y	97.7	Very high	96.4	Very high	37 Å²	37	40.1 Å²	40.1	15%	0.145	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	153.7	176.5	51.1	-101.4	0	0	0	112.7	G193 P194 C195 F219 Q236 G240	G193-Y217 PolarHBondContact O-N 3.18Å; G193-Y217 VanDerWaalsContact O-N 3.14Å; P194-Y217 HydrophobicContact CB-CD2 4.34Å; P194-Y217 HydrophobicContact CB-CE1 4.35Å; P194-Y217 HydrophobicContact CB-CE2 3.49Å; P194-Y217 VanDerWaalsContact CB-CE2 3.49Å; P194-Y217 WeakPolarHBondContact CB-OH 3.35Å; P194-Y217 HydrophobicContact CG-CE1 4.1Å; P194-Y217 HydrophobicContact CG-CE2 4.1Å; P194-Y217 VanDerWaalsContact CG-OH 3.31Å; P194-Y217 WeakPolarHBondContact CG-OH 3.23Å; C195-Y217 PolarHBondContact N-O 3.24Å; Y217-F219 AromaticContact CD2-CD1 3.97Å; Y217-F219 HydrophobicContact CD2-CD1 3.97Å; Y217-F219 AromaticContact CD2-CE1 3.25Å; Y217-F219 HydrophobicContact CD2-CE1 3.25Å; Y217-F219 AromaticContact CD2-CZ 3.78Å; Y217-F219 HydrophobicContact CD2-CZ 3.78Å; Y217-F219 AromaticContact CE2-CE1 3.56Å; Y217-F219 HydrophobicContact CE2-CE1 3.56Å; Y217-F219 AromaticContact CE2-CZ 3.61Å; Y217-F219 HydrophobicContact CE2-CZ 3.61Å; Y217-F219 HydrophobicContact CG-CE1 4.11Å; Y217-Q236 HydrophobicContact CD1-CB 4.28Å; Y217-Q236 HydrophobicContact CE1-CB 4.27Å; Y217-Q236 VanDerWaalsContact CE1-OE1 3.24Å; Y217-Q236 HydrophobicContact CG-CB 4.5Å; Y217-Q236 PolarHBondContact OH-NE2 3.35Å; Y217-Q236 PolarHBondContact OH-OE1 2.96Å; Y217-G240 CarbonylContact C-O 3.52Å; Y217-G240 WeakPolarHBondContact CA-O 3.43Å; Y217-G240 VanDerWaalsContact CB-O 3.24Å; Y217-G240 WeakPolarHBondContact CB-O 3.47Å
218	L	97.4	Very high	96.3	Very high	6 Å²	6	43.3 Å²	43.3	3%	0.031	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	128.5	177.3	-74.8	158.6	0	0	0	110.3	I191 C195 V200 I209 M211 G240 H245 V251	I191-L218 HydrophobicContact CD1-CD1 4.44Å; I191-L218 HydrophobicContact CD1-CD2 4.11Å; I191-L218 HydrophobicContact CG1-CD1 3.87Å; I191-L218 HydrophobicContact CG1-CD2 4.25Å; I191-L218 HydrophobicContact CG1-CG 4.13Å; I191-L218 HydrophobicContact CG2-CG 4.24Å; C195-L218 HydrophobicContact CB-CD2 3.48Å; C195-L218 VanDerWaalsContact CB-CD2 3.48Å; C195-L218 HydrophobicContact CB-CG 4.25Å; C195-L218 WeakPolarHBondContact O-CA 3.3Å; C195-L218 WeakPolarHBondContact SG-CD2 3.09Å; V200-L218 HydrophobicContact CB-CD2 3.97Å; V200-L218 HydrophobicContact CG1-CB 4.42Å; V200-L218 HydrophobicContact CG1-CD2 3.81Å; I209-L218 HydrophobicContact CG2-CD1 4.14Å; M211-L218 HydrophobicContact CE-CD1 4.19Å; M211-L218 HydrophobicContact CE-CG 4.33Å; M211-L218 HydrophobicContact SD-CD1 3.99Å; L218-G240 PolarHBondContact N-O 3.29Å; L218-G240 WeakPolarHBondContact O-CA 3.2Å; L218-H245 WeakPolarHBondContact CB-NE2 3.2Å; L218-H245 PolarHBondContact O-NE2 3Å; L218-V251 HydrophobicContact CD1-CG1 4.26Å
219	F	96.9	Very high	96.2	Very high	23 Å²	23	48.5 Å²	48.5	10%	0.101	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	151	165	45.8	-106.8	0	0	0	112	C195 A196 G197 V200 Y217 T221 G222 Q236 L239	C195-F219 PolarHBondContact O-N 2.94Å; A196-F219 CarbonylContact C-O 3.44Å; A196-F219 WeakPolarHBondContact CA-O 3.38Å; A196-F219 HydrophobicContact CB-CD2 4.13Å; A196-F219 HydrophobicContact CB-CE2 3.64Å; A196-F219 HydrophobicContact CB-CZ 4.35Å; G197-F219 PolarHBondContact N-O 2.96Å; V200-F219 WeakPolarHBondContact CG1-O 3.38Å; Y217-F219 AromaticContact CD2-CD1 3.97Å; Y217-F219 HydrophobicContact CD2-CD1 3.97Å; Y217-F219 AromaticContact CD2-CE1 3.25Å; Y217-F219 HydrophobicContact CD2-CE1 3.25Å; Y217-F219 AromaticContact CD2-CZ 3.78Å; Y217-F219 HydrophobicContact CD2-CZ 3.78Å; Y217-F219 AromaticContact CE2-CE1 3.56Å; Y217-F219 HydrophobicContact CE2-CE1 3.56Å; Y217-F219 AromaticContact CE2-CZ 3.61Å; Y217-F219 HydrophobicContact CE2-CZ 3.61Å; Y217-F219 HydrophobicContact CG-CE1 4.11Å; F219-T221 WeakPolarHBondContact CD2-O 3.17Å; F219-G222 VanDerWaalsContact CE2-CA 3.42Å; F219-Q236 HydrophobicContact CE1-CB 4.29Å; F219-Q236 HydrophobicContact CE1-CG 4.2Å; F219-Q236 HydrophobicContact CZ-CG 4.42Å; F219-L239 HydrophobicContact CB-CD2 4.15Å; F219-L239 HydrophobicContact CB-CG 4.24Å; F219-L239 HydrophobicContact CD1-CD2 4.09Å; F219-L239 HydrophobicContact CD1-CG 4.37Å; F219-L239 HydrophobicContact CG-CD2 4.06Å
220	I	96	Very high	96	Very high	95 Å²	95	51.7 Å²	51.7	49%	0.487	29%	0.292	S	S	.	.	S	Bend	trans	-73	-48.7	173.7	-62.6	168.3	0	0	0	109.7	G197 V200 Y201	G197-I220 VanDerWaalsContact CA-O 3.24Å; G197-I220 WeakPolarHBondContact CA-O 3.41Å; G197-I220 PolarHBondContact N-O 3.2Å; V200-I220 HydrophobicContact CG2-CG1 3.8Å; Y201-I220 HydrophobicContact CE1-CD1 4.32Å; Y201-I220 WeakPolarHBondContact OH-CD1 3.3Å
221	T	93.5	Very high	95.7	Very high	66 Å²	66	58.7 Å²	58.7	41%	0.405	33%	0.329	S	S	.	.	S	Bend	trans	-117.3	126.8	-175.1	-58.4	0	0	0	0	108.7	F219 V225 V226 L239	F219-T221 WeakPolarHBondContact CD2-O 3.17Å; T221-V225 HydrophobicContact CG2-CB 3.5Å; T221-V225 HydrophobicContact CG2-CG1 3.4Å; T221-V225 VanDerWaalsContact CG2-CG1 3.4Å; T221-V225 HydrophobicContact CG2-CG2 4.47Å; T221-V226 HydrophobicContact CG2-CG2 4.15Å; T221-L239 WeakPolarHBondContact O-CD2 3.25Å
222	G	92.7	Very high	95.5	Very high	21 Å²	21	64.1 Å²	64.1	22%	0.216	35%	0.354	C	S	.	.			trans	-70.7	158.7	-178.4	0	0	0	0	0	113.3	F219 D224 V225 V226	F219-G222 VanDerWaalsContact CE2-CA 3.42Å; G222-D224 VanDerWaalsContact C-N 3.28Å; G222-D224 PolarHBondContact O-N 3.19Å; G222-V225 PolarHBondContact O-N 3.42Å; G222-V226 PolarHBondContact O-N 2.99Å; G222-V226 VanDerWaalsContact O-N 3.1Å
223	P	93.9	Very high	95.3	Very high	17 Å²	17	69.7 Å²	69.7	11%	0.11	38%	0.384	C	S	.	.	H	α-helix	trans	-54.3	-38.5	-177.3	-28.8	35.4	0	0	0	115	V225 V226 K227 V234 Q236 L239	P223-V225 VanDerWaalsContact C-N 3.26Å; P223-V225 PolarHBondContact O-N 2.84Å; P223-V226 PolarHBondContact O-N 3.25Å; P223-K227 WeakPolarHBondContact O-CB 3.4Å; P223-K227 PolarHBondContact O-N 3.23Å; P223-V234 HydrophobicContact CB-CG2 4.44Å; P223-V234 WeakPolarHBondContact CB-O 3.43Å; P223-Q236 HydrophobicContact CG-CG 3.87Å; P223-L239 HydrophobicContact CG-CD2 3.82Å
224	D	93.3	Very high	95.2	Very high	141 Å²	141	69.3 Å²	69.3	75%	0.754	39%	0.386	S	S	*	.	H	α-helix	trans	-60.3	-38.9	179.4	-60.4	-36.3	0	0	0	111.8	G222 S228	G222-D224 VanDerWaalsContact C-N 3.28Å; G222-D224 PolarHBondContact O-N 3.19Å; D224-S228 WeakPolarHBondContact O-CB 3.24Å; D224-S228 PolarHBondContact O-N 2.87Å; D224-S228 VanDerWaalsContact O-N 3.1Å
225	V	92.5	Very high	95.2	Very high	76 Å²	76	66.6 Å²	66.6	46%	0.461	37%	0.374	S	S	.	.	H	α-helix	trans	-74.6	-41.4	178.4	178.8	0	0	0	0	110.3	T221 G222 P223 K227 S228 V229	T221-V225 HydrophobicContact CG2-CB 3.5Å; T221-V225 HydrophobicContact CG2-CG1 3.4Å; T221-V225 VanDerWaalsContact CG2-CG1 3.4Å; T221-V225 HydrophobicContact CG2-CG2 4.47Å; G222-V225 PolarHBondContact O-N 3.42Å; P223-V225 VanDerWaalsContact C-N 3.26Å; P223-V225 PolarHBondContact O-N 2.84Å; V225-K227 VanDerWaalsContact C-N 3.34Å; V225-K227 PolarHBondContact O-N 3.24Å; V225-S228 WeakPolarHBondContact CA-OG 3.37Å; V225-S228 PolarHBondContact O-N 3.15Å; V225-S228 PolarHBondContact O-OG 2.98Å; V225-V229 HydrophobicContact CG1-CG2 4.34Å; V225-V229 WeakPolarHBondContact O-CG2 3.37Å; V225-V229 PolarHBondContact O-N 2.84Å; V225-V229 VanDerWaalsContact O-N 3.1Å
226	V	94.5	Very high	95	Very high	21 Å²	21	69.3 Å²	69.3	13%	0.127	38%	0.384	C	S	.	.	H	α-helix	trans	-54.1	-53.4	173.7	174	0	0	0	0	109.7	T221 G222 P223 S228 V229 T230 E232 V234 L239	T221-V226 HydrophobicContact CG2-CG2 4.15Å; G222-V226 PolarHBondContact O-N 2.99Å; G222-V226 VanDerWaalsContact O-N 3.1Å; P223-V226 PolarHBondContact O-N 3.25Å; V226-S228 VanDerWaalsContact C-N 3.32Å; V226-S228 PolarHBondContact O-N 3.25Å; V226-V229 PolarHBondContact O-N 3.49Å; V226-T230 WeakPolarHBondContact CG1-OG1 3.43Å; V226-T230 PolarHBondContact O-N 3.11Å; V226-T230 PolarHBondContact O-OG1 3.34Å; V226-E232 HydrophobicContact CG1-CB 4.15Å; V226-V234 HydrophobicContact CG1-CG2 4.23Å; V226-L239 HydrophobicContact CG2-CD2 4.25Å
227	K	95.5	Very high	94.9	Very high	94 Å²	94	72 Å²	72	41%	0.409	40%	0.397	S	S	.	.	H	α-helix	trans	-56	-44.1	177.8	-174.5	168.7	-173.4	159.6	0	112.8	P223 V225 V229 N231 E232 D233	P223-K227 WeakPolarHBondContact O-CB 3.4Å; P223-K227 PolarHBondContact O-N 3.23Å; V225-K227 VanDerWaalsContact C-N 3.34Å; V225-K227 PolarHBondContact O-N 3.24Å; K227-V229 VanDerWaalsContact C-N 3.26Å; K227-V229 PolarHBondContact O-N 2.8Å; K227-N231 WeakPolarHBondContact O-CA 3.38Å; K227-N231 PolarHBondContact O-N 2.86Å; K227-E232 VanDerWaalsContact CA-O 3.28Å; K227-E232 WeakPolarHBondContact CA-O 3.4Å; K227-E232 WeakPolarHBondContact CB-O 3.44Å; K227-D233 IonicContact NZ-OD1 2.99Å; K227-D233 PolarHBondContact NZ-OD1 2.99Å; K227-D233 IonicContact NZ-OD2 2.75Å; K227-D233 PolarHBondContact NZ-OD2 3.32Å
228	S	95.9	Very high	94.9	Very high	87 Å²	87	75.9 Å²	75.9	61%	0.608	42%	0.416	S	S	*	.	H	α-helix	trans	-66.8	-25	-179.8	73.2	0	0	0	0	114.4	D224 V225 V226	D224-S228 WeakPolarHBondContact O-CB 3.24Å; D224-S228 PolarHBondContact O-N 2.87Å; D224-S228 VanDerWaalsContact O-N 3.1Å; V225-S228 WeakPolarHBondContact CA-OG 3.37Å; V225-S228 PolarHBondContact O-N 3.15Å; V225-S228 PolarHBondContact O-OG 2.98Å; V226-S228 VanDerWaalsContact C-N 3.32Å; V226-S228 PolarHBondContact O-N 3.25Å
229	V	96.5	Very high	94.8	Very high	113 Å²	113	78.1 Å²	78.1	69%	0.685	43%	0.428	S	S	*	.	H	α-helix	trans	-102.4	-42.6	-174.1	175.2	0	0	0	0	112.2	V225 V226 K227	V225-V229 HydrophobicContact CG1-CG2 4.34Å; V225-V229 WeakPolarHBondContact O-CG2 3.37Å; V225-V229 PolarHBondContact O-N 2.84Å; V225-V229 VanDerWaalsContact O-N 3.1Å; V226-V229 PolarHBondContact O-N 3.49Å; K227-V229 VanDerWaalsContact C-N 3.26Å; K227-V229 PolarHBondContact O-N 2.8Å
230	T	95.2	Very high	94.8	Very high	68 Å²	68	77 Å²	77	42%	0.417	42%	0.423	S	S	.	.	H	α-helix	trans	-106	-9.1	-174.6	66.4	0	0	0	0	113.2	V226 E232	V226-T230 WeakPolarHBondContact CG1-OG1 3.43Å; V226-T230 PolarHBondContact O-N 3.11Å; V226-T230 PolarHBondContact O-OG1 3.34Å; T230-E232 PolarHBondContact O-N 2.6Å; T230-E232 WeakPolarHBondContact OG1-CB 3.46Å; T230-E232 VanDerWaalsContact OG1-CG 3.32Å; T230-E232 WeakPolarHBondContact OG1-CG 3.4Å; T230-E232 PolarHBondContact OG1-N 3.04Å; T230-E232 PolarHBondContact OG1-OE2 3.12Å
231	N	92.9	Very high	94.9	Very high	147 Å²	147	72.5 Å²	72.5	79%	0.786	40%	0.4	S	S	*	.			trans	58.9	15.9	-167.8	-66.7	-43.1	0	0	0	114.2	K227	K227-N231 WeakPolarHBondContact O-CA 3.38Å; K227-N231 PolarHBondContact O-N 2.86Å
232	E	93.9	Very high	95.1	Very high	114 Å²	114	69.3 Å²	69.3	53%	0.533	38%	0.381	S	S	.	.			trans	-82.3	124.7	174.6	-64.6	166.7	157.9	0	0	109.8	V226 K227 T230	V226-E232 HydrophobicContact CG1-CB 4.15Å; K227-E232 VanDerWaalsContact CA-O 3.28Å; K227-E232 WeakPolarHBondContact CA-O 3.4Å; K227-E232 WeakPolarHBondContact CB-O 3.44Å; T230-E232 PolarHBondContact O-N 2.6Å; T230-E232 WeakPolarHBondContact OG1-CB 3.46Å; T230-E232 VanDerWaalsContact OG1-CG 3.32Å; T230-E232 WeakPolarHBondContact OG1-CG 3.4Å; T230-E232 PolarHBondContact OG1-N 3.04Å; T230-E232 PolarHBondContact OG1-OE2 3.12Å
233	D	94.8	Very high	95.4	Very high	119 Å²	119	75.1 Å²	75.1	64%	0.636	40%	0.4	S	S	*	.			trans	-95.1	108.9	175.4	-149.1	-2.6	0	0	0	108.8	K227	K227-D233 IonicContact NZ-OD1 2.99Å; K227-D233 PolarHBondContact NZ-OD1 2.99Å; K227-D233 IonicContact NZ-OD2 2.75Å; K227-D233 PolarHBondContact NZ-OD2 3.32Å
234	V	95.4	Very high	95.5	Very high	43 Å²	43	75.6 Å²	75.6	26%	0.261	40%	0.402	S	S	.	.			trans	-135.9	144	-177.6	-66.2	0	0	0	0	109.8	P223 V226 L239	P223-V234 HydrophobicContact CB-CG2 4.44Å; P223-V234 WeakPolarHBondContact CB-O 3.43Å; V226-V234 HydrophobicContact CG1-CG2 4.23Å; V234-L239 HydrophobicContact CG2-CB 4.22Å; V234-L239 HydrophobicContact CG2-CD1 4.39Å; V234-L239 HydrophobicContact CG2-CD2 4.5Å
235	T	95.5	Very high	95.8	Very high	77 Å²	77	69.8 Å²	69.8	47%	0.472	37%	0.371	S	S	.	.			trans	-80.9	166.5	173.9	62.7	0	0	0	0	111.8	E237 E238 L239	T235-E237 VanDerWaalsContact C-N 3.28Å; T235-E237 PolarHBondContact O-N 2.64Å; T235-E238 WeakPolarHBondContact CB-OE2 3.2Å; T235-E238 WeakPolarHBondContact CG2-OE2 3.49Å; T235-E238 PolarHBondContact N-OE2 2.94Å; T235-E238 PolarHBondContact O-N 3.47Å; T235-E238 WeakPolarHBondContact OG1-CB 3.25Å; T235-E238 VanDerWaalsContact OG1-CD 3.24Å; T235-E238 WeakPolarHBondContact OG1-CG 3.38Å; T235-E238 PolarHBondContact OG1-N 3.32Å; T235-E238 PolarHBondContact OG1-OE2 3.09Å; T235-L239 VanDerWaalsContact O-CB 3.28Å; T235-L239 WeakPolarHBondContact O-CB 3.27Å; T235-L239 PolarHBondContact O-N 2.86Å
236	Q	94.4	Very high	96.1	Very high	90 Å²	90	66.8 Å²	66.8	42%	0.421	35%	0.352	S	S	.	.	H	α-helix	trans	-59.3	-39.8	173.8	-69.7	-178.3	-21.6	0	0	112.1	Y217 F219 P223 G240	Y217-Q236 HydrophobicContact CD1-CB 4.28Å; Y217-Q236 HydrophobicContact CE1-CB 4.27Å; Y217-Q236 VanDerWaalsContact CE1-OE1 3.24Å; Y217-Q236 HydrophobicContact CG-CB 4.5Å; Y217-Q236 PolarHBondContact OH-NE2 3.35Å; Y217-Q236 PolarHBondContact OH-OE1 2.96Å; F219-Q236 HydrophobicContact CE1-CB 4.29Å; F219-Q236 HydrophobicContact CE1-CG 4.2Å; F219-Q236 HydrophobicContact CZ-CG 4.42Å; P223-Q236 HydrophobicContact CG-CG 3.87Å; Q236-G240 PolarHBondContact O-N 2.96Å
237	E	95.2	Very high	96.3	Very high	58 Å²	58	68 Å²	68	27%	0.271	36%	0.36	S	S	.	.	H	α-helix	trans	-70.3	-41.5	179.8	-174.7	57.7	-148.6	0	0	111.6	T235 G241 A242	T235-E237 VanDerWaalsContact C-N 3.28Å; T235-E237 PolarHBondContact O-N 2.64Å; E237-G241 WeakPolarHBondContact O-CA 3.49Å; E237-G241 PolarHBondContact O-N 2.93Å; E237-G241 WeakPolarHBondContact OE1-CA 3.42Å; E237-G241 WeakPolarHBondContact OE2-CA 3.47Å; E237-A242 PolarHBondContact OE1-N 2.64Å
238	E	96.1	Very high	96.4	Very high	118 Å²	118	69.3 Å²	69.3	55%	0.551	37%	0.37	S	S	*	.	H	α-helix	trans	-65	-43.3	175.9	-72.5	163.4	145.7	0	0	111.6	T235 T244	T235-E238 WeakPolarHBondContact CB-OE2 3.2Å; T235-E238 WeakPolarHBondContact CG2-OE2 3.49Å; T235-E238 PolarHBondContact N-OE2 2.94Å; T235-E238 PolarHBondContact O-N 3.47Å; T235-E238 WeakPolarHBondContact OG1-CB 3.25Å; T235-E238 VanDerWaalsContact OG1-CD 3.24Å; T235-E238 WeakPolarHBondContact OG1-CG 3.38Å; T235-E238 PolarHBondContact OG1-N 3.32Å; T235-E238 PolarHBondContact OG1-OE2 3.09Å; E238-T244 PolarHBondContact O-OG1 3.41Å
239	L	96.1	Very high	96.5	Very high	52 Å²	52	67.6 Å²	67.6	27%	0.272	36%	0.358	S	S	.	.	H	α-helix	trans	-69	-43.6	-176.8	-178.3	61	0	0	0	112.8	F219 T221 P223 V226 V234 T235	F219-L239 HydrophobicContact CB-CD2 4.15Å; F219-L239 HydrophobicContact CB-CG 4.24Å; F219-L239 HydrophobicContact CD1-CD2 4.09Å; F219-L239 HydrophobicContact CD1-CG 4.37Å; F219-L239 HydrophobicContact CG-CD2 4.06Å; T221-L239 WeakPolarHBondContact O-CD2 3.25Å; P223-L239 HydrophobicContact CG-CD2 3.82Å; V226-L239 HydrophobicContact CG2-CD2 4.25Å; V234-L239 HydrophobicContact CG2-CB 4.22Å; V234-L239 HydrophobicContact CG2-CD1 4.39Å; V234-L239 HydrophobicContact CG2-CD2 4.5Å; T235-L239 VanDerWaalsContact O-CB 3.28Å; T235-L239 WeakPolarHBondContact O-CB 3.27Å; T235-L239 PolarHBondContact O-N 2.86Å
240	G	97.6	Very high	96.5	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-147.4	15.1	-166	0	0	0	0	0	115	Y217 L218 Q236 H245	Y217-G240 CarbonylContact C-O 3.52Å; Y217-G240 WeakPolarHBondContact CA-O 3.43Å; Y217-G240 VanDerWaalsContact CB-O 3.24Å; Y217-G240 WeakPolarHBondContact CB-O 3.47Å; L218-G240 PolarHBondContact N-O 3.29Å; L218-G240 WeakPolarHBondContact O-CA 3.2Å; Q236-G240 PolarHBondContact O-N 2.96Å; G240-H245 WeakPolarHBondContact CA-NE2 3.43Å; G240-H245 PolarHBondContact O-CD2 3.46Å; G240-H245 PolarHBondContact O-NE2 2.94Å
241	G	97.8	Very high	96.7	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-67.3	168	179.3	0	0	0	0	0	113.6	E237 K243 T244 H245	E237-G241 WeakPolarHBondContact O-CA 3.49Å; E237-G241 PolarHBondContact O-N 2.93Å; E237-G241 WeakPolarHBondContact OE1-CA 3.42Å; E237-G241 WeakPolarHBondContact OE2-CA 3.47Å; G241-K243 PolarHBondContact O-N 2.85Å; G241-T244 PolarHBondContact O-N 3.26Å; G241-T244 VanDerWaalsContact O-N 3.13Å; G241-H245 PolarHBondContact O-N 2.87Å; G241-H245 VanDerWaalsContact O-N 3.1Å
242	A	98	Very high	97	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-57.3	-38.2	-178.8	0	0	0	0	0	112	M211 E237 H245 T246 A255	M211-A242 HydrophobicContact CB-CB 3.96Å; M211-A242 HydrophobicContact CE-CB 4.37Å; M211-A242 HydrophobicContact SD-CB 4.49Å; E237-A242 PolarHBondContact OE1-N 2.64Å; A242-H245 PolarHBondContact O-N 2.98Å; A242-T246 WeakPolarHBondContact O-CB 3.34Å; A242-T246 WeakPolarHBondContact O-CG2 3.06Å; A242-T246 PolarHBondContact O-N 3.04Å; A242-T246 PolarHBondContact O-OG1 2.73Å; A242-A255 HydrophobicContact CB-CB 3.93Å
243	K	97.6	Very high	97.2	Very high	143 Å²	143	50 Å²	50	62%	0.622	27%	0.266	S	S	*	.	H	α-helix	trans	-63.8	-46.9	176.9	-175.9	177.3	177.7	-178	0	111.7	G241 H245 T246 T247	G241-K243 PolarHBondContact O-N 2.85Å; K243-H245 VanDerWaalsContact C-N 3.3Å; K243-H245 PolarHBondContact O-N 3.45Å; K243-T246 PolarHBondContact O-N 3.39Å; K243-T246 PolarHBondContact O-OG1 2.82Å; K243-T247 HydrophobicContact CG-CG2 4.43Å; K243-T247 WeakPolarHBondContact O-CB 3.49Å; K243-T247 PolarHBondContact O-N 2.79Å; K243-T247 PolarHBondContact O-OG1 2.81Å
244	T	98	Very high	97.4	Very high	26 Å²	26	47.9 Å²	47.9	16%	0.16	25%	0.249	C	C	.	.	H	α-helix	trans	-59.8	-41.9	179.3	-62.3	0	0	0	0	111.2	E238 G241 I248 S249	E238-T244 PolarHBondContact O-OG1 3.41Å; G241-T244 PolarHBondContact O-N 3.26Å; G241-T244 VanDerWaalsContact O-N 3.13Å; T244-I248 HydrophobicContact CG2-CD1 4.49Å; T244-I248 WeakPolarHBondContact O-CB 3.39Å; T244-I248 PolarHBondContact O-N 2.98Å; T244-S249 PolarHBondContact O-N 3.42Å; T244-S249 VanDerWaalsContact O-N 3.11Å
245	H	98.5	Very high	97.5	Very high	20 Å²	20	46.7 Å²	46.7	9%	0.093	24%	0.244	C	C	.	.	H	α-helix	trans	-78.4	-25.6	-179.5	-71.3	-55.2	0	0	0	115.8	M211 L218 G240 G241 A242 K243 S249 G250 V251 A252	M211-H245 HydrophobicContact SD-CB 3.77Å; L218-H245 WeakPolarHBondContact CB-NE2 3.2Å; L218-H245 PolarHBondContact O-NE2 3Å; G240-H245 WeakPolarHBondContact CA-NE2 3.43Å; G240-H245 PolarHBondContact O-CD2 3.46Å; G240-H245 PolarHBondContact O-NE2 2.94Å; G241-H245 PolarHBondContact O-N 2.87Å; G241-H245 VanDerWaalsContact O-N 3.1Å; A242-H245 PolarHBondContact O-N 2.98Å; K243-H245 VanDerWaalsContact C-N 3.3Å; K243-H245 PolarHBondContact O-N 3.45Å; H245-S249 WeakPolarHBondContact CA-OG 3.21Å; H245-S249 PolarHBondContact ND1-OG 3.32Å; H245-G250 WeakPolarHBondContact O-CA 3.43Å; H245-G250 PolarHBondContact O-N 3.49Å; H245-V251 HydrophobicContact CB-CB 4.27Å; H245-V251 PolarHBondContact O-N 3.12Å; H245-A252 HydrophobicContact CB-CB 3.62Å; H245-A252 PolarHBondContact O-N 3.14Å; H245-A252 VanDerWaalsContact O-N 3.15Å
246	T	98.5	Very high	97.6	Very high	12 Å²	12	43.2 Å²	43.2	7%	0.074	22%	0.222	C	C	.	.	H	α-helix	trans	-92.4	-11.7	178.3	54.3	0	0	0	0	114.2	A242 K243 A252 A255 M330 Y331	A242-T246 WeakPolarHBondContact O-CB 3.34Å; A242-T246 WeakPolarHBondContact O-CG2 3.06Å; A242-T246 PolarHBondContact O-N 3.04Å; A242-T246 PolarHBondContact O-OG1 2.73Å; K243-T246 PolarHBondContact O-N 3.39Å; K243-T246 PolarHBondContact O-OG1 2.82Å; T246-A252 HydrophobicContact CG2-CB 3.71Å; T246-A255 HydrophobicContact CG2-CB 3.84Å; T246-M330 CarbonylContact O-C 3.6Å; T246-M330 WeakPolarHBondContact O-CB 3.45Å; T246-Y331 WeakPolarHBondContact O-CB 3.31Å; T246-Y331 PolarHBondContact O-N 2.86Å
247	T	98.1	Very high	97.8	Very high	48 Å²	48	45.4 Å²	45.4	29%	0.294	23%	0.232	S	C	.	.	H	α-helix	trans	-122.4	-34.5	-177.2	62.2	0	0	0	0	114.3	K243 M330	K243-T247 HydrophobicContact CG-CG2 4.43Å; K243-T247 WeakPolarHBondContact O-CB 3.49Å; K243-T247 PolarHBondContact O-N 2.79Å; K243-T247 PolarHBondContact O-OG1 2.81Å; T247-M330 HydrophobicContact CG2-CB 3.89Å
248	I	97.7	Very high	97.9	Very high	120 Å²	120	46 Å²	46	62%	0.615	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.8	-58.9	-171.7	-59.8	170.2	0	0	0	111.2	T244 Y331	T244-I248 HydrophobicContact CG2-CD1 4.49Å; T244-I248 WeakPolarHBondContact O-CB 3.39Å; T244-I248 PolarHBondContact O-N 2.98Å; I248-Y331 WeakPolarHBondContact O-CE2 3.02Å
249	S	97.9	Very high	98.1	Very high	52 Å²	52	40.6 Å²	40.6	36%	0.364	21%	0.212	S	C	.	.	S	Bend	trans	-86.1	-21.5	-172.3	61.1	0	0	0	0	114.4	T244 H245 V251	T244-S249 PolarHBondContact O-N 3.42Å; T244-S249 VanDerWaalsContact O-N 3.11Å; H245-S249 WeakPolarHBondContact CA-OG 3.21Å; H245-S249 PolarHBondContact ND1-OG 3.32Å; S249-V251 PolarHBondContact O-N 2.75Å
250	G	97.9	Very high	98.2	Very high	14 Å²	14	41.2 Å²	41.2	14%	0.144	22%	0.218	C	C	.	.			trans	67.8	20.1	-177.6	0	0	0	0	0	114.1	H245 M328	H245-G250 WeakPolarHBondContact O-CA 3.43Å; H245-G250 PolarHBondContact O-N 3.49Å; G250-M328 WeakPolarHBondContact O-CE 3.44Å
251	V	98.5	Very high	98.2	Very high	51 Å²	51	43.8 Å²	43.8	31%	0.309	23%	0.232	S	C	.	.			trans	-73.7	-41.8	175.5	172.3	0	0	0	0	110.7	I209 L218 H245 S249	I209-V251 HydrophobicContact CD1-CG1 3.9Å; L218-V251 HydrophobicContact CD1-CG1 4.26Å; H245-V251 HydrophobicContact CB-CB 4.27Å; H245-V251 PolarHBondContact O-N 3.12Å; S249-V251 PolarHBondContact O-N 2.75Å
252	A	98.6	Very high	98.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.232	C	C	.	.			trans	-92.2	138.7	-178.7	0	0	0	0	0	111.2	M211 H245 T246	M211-A252 HydrophobicContact CG-CB 3.88Å; M211-A252 HydrophobicContact SD-CB 3.62Å; H245-A252 HydrophobicContact CB-CB 3.62Å; H245-A252 PolarHBondContact O-N 3.14Å; H245-A252 VanDerWaalsContact O-N 3.15Å; T246-A252 HydrophobicContact CG2-CB 3.71Å
253	H	98.8	Very high	98.3	Very high	8 Å²	8	43.8 Å²	43.8	4%	0.037	23%	0.232	C	C	.	.	S	Bend	trans	-87.1	-30	-177.2	-61.3	77	0	0	0	111.7	D207 F208 I209 F210 I327 M328	D207-H253 PolarHBondContact O-NE2 3.28Å; F208-H253 HydrophobicContact CD1-CB 4.3Å; F208-H253 AromaticContact CD1-CD2 3.72Å; F208-H253 AromaticContact CD1-CG 3.96Å; I209-H253 PolarHBondContact N-ND1 2.89Å; I209-H253 WeakPolarHBondContact O-CB 3.43Å; I209-H253 PolarHBondContact O-N 3.41Å; I209-H253 PolarHBondContact O-ND1 2.81Å; F210-H253 HydrophobicContact CD1-CB 4.19Å; F210-H253 HydrophobicContact CE1-CB 3.94Å; H253-I327 HydrophobicContact CB-CG2 4.21Å; H253-M328 HydrophobicContact CB-CG 4.29Å; H253-M328 WeakPolarHBondContact O-CA 3.5Å; H253-M328 PolarHBondContact O-N 3.04Å
254	R	98.3	Very high	98.3	Very high	74 Å²	74	41.2 Å²	41.2	28%	0.279	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	152.6	174.5	-161.4	165.9	175.7	157.3	-4.9	109.8	F210 M211 F256 E326	F210-R254 WeakPolarHBondContact CA-O 3.22Å; F210-R254 HydrophobicContact CD1-CB 3.57Å; F210-R254 HydrophobicContact CE1-CB 3.76Å; M211-R254 PolarHBondContact N-O 2.91Å; R254-F256 HydrophobicContact CB-CZ 4.44Å; R254-F256 HydrophobicContact CG-CE1 4.31Å; R254-F256 HydrophobicContact CG-CZ 4.27Å; R254-E326 PolarHBondContact NH1-O 3.44Å
255	A	98.3	Very high	98.3	Very high	17 Å²	17	41.1 Å²	41.1	14%	0.14	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	149.3	168.2	0	0	0	0	0	109.7	M211 H213 A242 T246	M211-A255 HydrophobicContact CB-CB 4.49Å; M211-A255 CarbonylContact O-C 3.54Å; M211-A255 VanDerWaalsContact O-CA 3.24Å; M211-A255 WeakPolarHBondContact O-CA 3.23Å; H213-A255 WeakPolarHBondContact CE1-CB 3.32Å; H213-A255 VanDerWaalsContact NE2-CB 3.32Å; H213-A255 WeakPolarHBondContact NE2-CB 3.34Å; A242-A255 HydrophobicContact CB-CB 3.93Å; T246-A255 HydrophobicContact CG2-CB 3.84Å
256	F	98.5	Very high	98.4	Very high	5 Å²	5	40.2 Å²	40.2	2%	0.022	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	160.3	-178.2	-62	-71.9	0	0	0	110.3	F210 M211 V212 H213 R254 A262 S265 F325	F210-F256 HydrophobicContact CB-CD2 4.29Å; F210-F256 HydrophobicContact CB-CE2 3.76Å; F210-F256 HydrophobicContact CD1-CE2 4.12Å; F210-F256 HydrophobicContact CD2-CE2 4.24Å; F210-F256 AromaticContact CG-CE2 3.78Å; F210-F256 HydrophobicContact CG-CE2 3.78Å; F210-F256 HydrophobicContact CG-CZ 4.47Å; M211-F256 PolarHBondContact O-N 2.9Å; V212-F256 WeakPolarHBondContact CA-O 3.33Å; H213-F256 PolarHBondContact CD2-O 2.99Å; H213-F256 VanDerWaalsContact CD2-O 3.28Å; H213-F256 PolarHBondContact N-O 2.76Å; R254-F256 HydrophobicContact CB-CZ 4.44Å; R254-F256 HydrophobicContact CG-CE1 4.31Å; R254-F256 HydrophobicContact CG-CZ 4.27Å; F256-A262 HydrophobicContact CB-CB 3.79Å; F256-A262 HydrophobicContact CD2-CB 3.66Å; F256-A262 HydrophobicContact CG-CB 3.94Å; F256-S265 WeakPolarHBondContact CE1-OG 3.49Å; F256-F325 HydrophobicContact CZ-CZ 4.27Å
257	E	97.9	Very high	98.3	Very high	135 Å²	135	41.7 Å²	41.7	63%	0.631	23%	0.225	S	C	*	.	S	Bend	trans	-70.6	-35.6	-172.4	-65	-59.1	143.1	0	0	112.9	D261	E257-D261 PolarHBondContact N-OD2 3.4Å
258	N	98.2	Very high	98.3	Very high	72 Å²	72	43.7 Å²	43.7	39%	0.385	23%	0.229	S	C	.	.	S	Bend	trans	-159.1	173.2	-178.7	55	68	0	0	0	111.4	V212 V260 D261 A262	V212-N258 VanDerWaalsContact CG1-CA 3.44Å; N258-V260 PolarHBondContact O-N 2.77Å; N258-V260 WeakPolarHBondContact OD1-CB 3.29Å; N258-V260 PolarHBondContact OD1-N 3.43Å; N258-V260 VanDerWaalsContact OD1-N 3.1Å; N258-D261 PolarHBondContact O-N 3.35Å; N258-D261 PolarHBondContact OD1-N 3.07Å; N258-A262 WeakPolarHBondContact O-CB 3.29Å; N258-A262 PolarHBondContact O-N 3.3Å
259	D	98.5	Very high	98.3	Very high	3 Å²	3	38 Å²	38	2%	0.016	20%	0.2	C	C	.	.	H	α-helix	trans	-53.8	-38.5	178.6	-76.8	18.3	0	0	0	112.8	L61 R66 L263	L61-D259 HydrophobicContact CB-CB 4.41Å; L61-D259 WeakPolarHBondContact CB-OD2 3.37Å; L61-D259 HydrophobicContact CD1-CB 3.9Å; L61-D259 HydrophobicContact CG-CB 3.95Å; L61-D259 PolarHBondContact N-OD2 3.35Å; R66-D259 IonicContact CZ-OD2 3.62Å; R66-D259 VanDerWaalsContact CZ-OD2 3.23Å; R66-D259 IonicContact NE-OD2 2.82Å; R66-D259 PolarHBondContact NE-OD2 3.29Å; R66-D259 IonicContact NH2-OD1 2.77Å; R66-D259 IonicContact NH2-OD2 3.58Å; R66-D259 PolarHBondContact NH2-OD2 3.39Å; D259-L263 WeakPolarHBondContact O-CB 3.3Å; D259-L263 WeakPolarHBondContact O-CD1 3.45Å; D259-L263 WeakPolarHBondContact O-CG 3.37Å; D259-L263 PolarHBondContact O-N 3.02Å
260	V	98.5	Very high	98.4	Very high	66 Å²	66	35.9 Å²	35.9	40%	0.4	19%	0.185	S	C	.	.	H	α-helix	trans	-69	-50.6	-177.6	174.6	0	0	0	0	110.8	L61 L69 N258 A262 L263 L264	L61-V260 HydrophobicContact CD1-CG2 4.35Å; L69-V260 HydrophobicContact CD2-CB 4.12Å; L69-V260 HydrophobicContact CD2-CG1 4.1Å; L69-V260 HydrophobicContact CD2-CG2 3.96Å; N258-V260 PolarHBondContact O-N 2.77Å; N258-V260 WeakPolarHBondContact OD1-CB 3.29Å; N258-V260 PolarHBondContact OD1-N 3.43Å; N258-V260 VanDerWaalsContact OD1-N 3.1Å; V260-A262 VanDerWaalsContact C-N 3.31Å; V260-A262 PolarHBondContact O-N 2.81Å; V260-L263 PolarHBondContact O-N 2.84Å; V260-L264 HydrophobicContact CG1-CD1 3.91Å; V260-L264 HydrophobicContact CG1-CG 4.45Å; V260-L264 WeakPolarHBondContact O-CB 3.21Å; V260-L264 VanDerWaalsContact O-CG 3.32Å; V260-L264 WeakPolarHBondContact O-CG 3.37Å; V260-L264 PolarHBondContact O-N 3.01Å
261	D	98.4	Very high	98.3	Very high	53 Å²	53	36.1 Å²	36.1	28%	0.283	18%	0.184	S	C	.	.	H	α-helix	trans	-57.3	-46.3	175.6	175.6	27.6	0	0	0	111.1	E257 N258 L263 L264 S265	E257-D261 PolarHBondContact N-OD2 3.4Å; N258-D261 PolarHBondContact O-N 3.35Å; N258-D261 PolarHBondContact OD1-N 3.07Å; D261-L263 PolarHBondContact O-N 3.33Å; D261-L264 PolarHBondContact O-N 3.24Å; D261-S265 WeakPolarHBondContact O-CB 3.41Å; D261-S265 PolarHBondContact O-N 3.43Å; D261-S265 PolarHBondContact O-OG 3.04Å; D261-S265 VanDerWaalsContact O-OG 3.07Å; D261-S265 PolarHBondContact OD1-OG 3.17Å
262	A	98.6	Very high	98.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-58.6	-46.2	179.4	0	0	0	0	0	113.3	L190 L192 V212 F256 N258 V260 L266	L190-A262 HydrophobicContact CD1-CB 4.05Å; L190-A262 HydrophobicContact CD2-CB 4.07Å; L192-A262 HydrophobicContact CD2-CB 4.39Å; V212-A262 HydrophobicContact CG2-CB 3.77Å; F256-A262 HydrophobicContact CB-CB 3.79Å; F256-A262 HydrophobicContact CD2-CB 3.66Å; F256-A262 HydrophobicContact CG-CB 3.94Å; N258-A262 WeakPolarHBondContact O-CB 3.29Å; N258-A262 PolarHBondContact O-N 3.3Å; V260-A262 VanDerWaalsContact C-N 3.31Å; V260-A262 PolarHBondContact O-N 2.81Å; A262-L266 WeakPolarHBondContact O-CB 3.41Å; A262-L266 PolarHBondContact O-N 3.3Å
263	L	98.7	Very high	98.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-72.6	-39.4	-177.4	-68.3	165.5	0	0	0	111.8	L61 R66 L69 L70 L153 L190 D259 V260 D261 L266 R267	L61-L263 HydrophobicContact CD1-CD1 4.41Å; R66-L263 HydrophobicContact CB-CD1 3.9Å; R66-L263 HydrophobicContact CG-CD1 4Å; L69-L263 HydrophobicContact CB-CD1 4.19Å; L69-L263 HydrophobicContact CD2-CB 3.98Å; L69-L263 HydrophobicContact CD2-CD1 3.85Å; L69-L263 HydrophobicContact CG-CB 4.24Å; L69-L263 HydrophobicContact CG-CD1 4.4Å; L70-L263 HydrophobicContact CB-CD2 4.16Å; L153-L263 HydrophobicContact CD1-CD2 4.26Å; L153-L263 HydrophobicContact CD2-CD2 4.06Å; L190-L263 HydrophobicContact CD2-CD2 3.68Å; L190-L263 HydrophobicContact CD2-CG 4.2Å; D259-L263 WeakPolarHBondContact O-CB 3.3Å; D259-L263 WeakPolarHBondContact O-CD1 3.45Å; D259-L263 WeakPolarHBondContact O-CG 3.37Å; D259-L263 PolarHBondContact O-N 3.02Å; V260-L263 PolarHBondContact O-N 2.84Å; D261-L263 PolarHBondContact O-N 3.33Å; L263-L266 PolarHBondContact O-N 2.97Å; L263-R267 WeakPolarHBondContact O-CG 3.5Å; L263-R267 PolarHBondContact O-N 2.98Å
264	L	98.4	Very high	98.3	Very high	90 Å²	90	33.4 Å²	33.4	47%	0.471	17%	0.168	S	C	.	.	H	α-helix	trans	-66	-42.5	174.3	-67.4	177.6	0	0	0	111.7	L69 V260 D261 L266 R267 K268	L69-L264 HydrophobicContact CD1-CD2 4.44Å; V260-L264 HydrophobicContact CG1-CD1 3.91Å; V260-L264 HydrophobicContact CG1-CG 4.45Å; V260-L264 WeakPolarHBondContact O-CB 3.21Å; V260-L264 VanDerWaalsContact O-CG 3.32Å; V260-L264 WeakPolarHBondContact O-CG 3.37Å; V260-L264 PolarHBondContact O-N 3.01Å; D261-L264 PolarHBondContact O-N 3.24Å; L264-L266 VanDerWaalsContact C-N 3.31Å; L264-L266 PolarHBondContact O-N 3.26Å; L264-R267 WeakPolarHBondContact O-CB 3.48Å; L264-R267 PolarHBondContact O-N 2.78Å; L264-K268 PolarHBondContact O-N 3.39Å; L264-K268 VanDerWaalsContact O-N 3.12Å
265	S	98.5	Very high	98.3	Very high	24 Å²	24	31 Å²	31	17%	0.168	16%	0.161	C	C	.	.	H	α-helix	trans	-63	-37.4	174.5	-73.7	0	0	0	0	111.9	F256 D261 K268 F269	F256-S265 WeakPolarHBondContact CE1-OG 3.49Å; D261-S265 WeakPolarHBondContact O-CB 3.41Å; D261-S265 PolarHBondContact O-N 3.43Å; D261-S265 PolarHBondContact O-OG 3.04Å; D261-S265 VanDerWaalsContact O-OG 3.07Å; D261-S265 PolarHBondContact OD1-OG 3.17Å; S265-K268 PolarHBondContact O-N 2.78Å; S265-F269 WeakPolarHBondContact O-CB 3.43Å; S265-F269 PolarHBondContact O-N 2.97Å
266	L	98.7	Very high	98.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-64.6	-41.4	173.7	179.3	56.9	0	0	0	112.1	L70 V151 I188 L190 F210 A262 L263 L264 K268 F269 L270	L70-L266 HydrophobicContact CD1-CB 4.49Å; L70-L266 HydrophobicContact CD1-CD2 3.98Å; L70-L266 HydrophobicContact CD1-CG 4.11Å; L70-L266 HydrophobicContact CD2-CD2 4.34Å; V151-L266 HydrophobicContact CG1-CD2 3.7Å; V151-L266 HydrophobicContact CG2-CD2 4.45Å; I188-L266 HydrophobicContact CB-CD1 4.4Å; I188-L266 HydrophobicContact CG1-CD1 4.44Å; I188-L266 HydrophobicContact CG2-CD1 3.74Å; L190-L266 HydrophobicContact CD2-CD2 4.27Å; F210-L266 HydrophobicContact CE2-CD1 4.36Å; A262-L266 WeakPolarHBondContact O-CB 3.41Å; A262-L266 PolarHBondContact O-N 3.3Å; L263-L266 PolarHBondContact O-N 2.97Å; L264-L266 VanDerWaalsContact C-N 3.31Å; L264-L266 PolarHBondContact O-N 3.26Å; L266-K268 VanDerWaalsContact C-N 3.28Å; L266-K268 PolarHBondContact O-N 2.98Å; L266-F269 HydrophobicContact CD1-CD1 4.08Å; L266-F269 WeakPolarHBondContact O-CB 3.23Å; L266-F269 PolarHBondContact O-N 2.86Å; L266-L270 HydrophobicContact CD1-CD1 4.44Å; L266-L270 HydrophobicContact CD1-CG 4.14Å; L266-L270 HydrophobicContact CG-CD1 4.32Å; L266-L270 HydrophobicContact CG-CG 4.5Å; L266-L270 WeakPolarHBondContact O-CG 3.44Å; L266-L270 PolarHBondContact O-N 3.21Å
267	R	98.5	Very high	98.3	Very high	44 Å²	44	32.8 Å²	32.8	17%	0.166	17%	0.168	C	C	.	.	H	α-helix	trans	-57.1	-43.9	173.8	-69.8	-179.3	58	91.3	3	111.3	L70 D72 V109 N110 L263 L264	L70-R267 HydrophobicContact CD1-CG 3.86Å; L70-R267 PolarHBondContact O-NH1 3.05Å; D72-R267 IonicContact OD1-CZ 3.57Å; D72-R267 VanDerWaalsContact OD1-CZ 3.27Å; D72-R267 IonicContact OD1-NH1 2.72Å; D72-R267 PolarHBondContact OD1-NH1 3.38Å; D72-R267 IonicContact OD1-NH2 3.09Å; D72-R267 PolarHBondContact OD1-NH2 2.72Å; V109-R267 HydrophobicContact CG1-CB 4.08Å; V109-R267 HydrophobicContact CG1-CG 3.84Å; N110-R267 PolarHBondContact ND2-O 3.39Å; N110-R267 PolarHBondContact OD1-NH2 2.86Å; L263-R267 WeakPolarHBondContact O-CG 3.5Å; L263-R267 PolarHBondContact O-N 2.98Å; L264-R267 WeakPolarHBondContact O-CB 3.48Å; L264-R267 PolarHBondContact O-N 2.78Å
268	K	97.4	Very high	98.2	Very high	89 Å²	89	35.3 Å²	35.3	39%	0.387	18%	0.177	S	C	.	.	H	α-helix	trans	-63.6	-47.9	174.2	179.5	175.2	178	173.9	0	111.3	L264 S265 L266 L270 T271 F272 D323	L264-K268 PolarHBondContact O-N 3.39Å; L264-K268 VanDerWaalsContact O-N 3.12Å; S265-K268 PolarHBondContact O-N 2.78Å; L266-K268 VanDerWaalsContact C-N 3.28Å; L266-K268 PolarHBondContact O-N 2.98Å; K268-L270 VanDerWaalsContact C-N 3.31Å; K268-L270 PolarHBondContact O-N 3.07Å; K268-T271 VanDerWaalsContact O-CB 3.31Å; K268-T271 WeakPolarHBondContact O-CB 3.49Å; K268-T271 WeakPolarHBondContact O-CG2 3.49Å; K268-T271 PolarHBondContact O-N 2.89Å; K268-T271 PolarHBondContact O-OG1 3.19Å; K268-F272 HydrophobicContact CG-CE2 4.37Å; K268-D323 VanDerWaalsContact CE-OD1 3.23Å; K268-D323 WeakPolarHBondContact CE-OD1 3.33Å; K268-D323 WeakPolarHBondContact CE-OD2 3.14Å; K268-D323 IonicContact NZ-OD1 3.53Å; K268-D323 PolarHBondContact NZ-OD1 3.16Å; K268-D323 IonicContact NZ-OD2 2.79Å; K268-D323 PolarHBondContact NZ-OD2 3.04Å; K268-D323 VanDerWaalsContact NZ-OD2 3.15Å
269	F	98.4	Very high	98	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-55.7	-44	-179.8	179.8	-110.1	0	0	0	112.7	I188 F208 F210 S265 L266 T271 F272 L273 F325 I327 L339	I188-F269 HydrophobicContact CG1-CD1 4.47Å; I188-F269 HydrophobicContact CG1-CE1 4.06Å; F208-F269 HydrophobicContact CD1-CZ 4.15Å; F208-F269 AromaticContact CD2-CE1 3.71Å; F208-F269 HydrophobicContact CD2-CE1 3.71Å; F208-F269 AromaticContact CD2-CZ 3.48Å; F208-F269 HydrophobicContact CD2-CZ 3.48Å; F208-F269 VanDerWaalsContact CD2-CZ 3.48Å; F208-F269 HydrophobicContact CE1-CZ 4.18Å; F208-F269 HydrophobicContact CE2-CE1 4.1Å; F208-F269 AromaticContact CE2-CZ 3.5Å; F208-F269 HydrophobicContact CE2-CZ 3.5Å; F208-F269 HydrophobicContact CG-CE1 4.13Å; F208-F269 AromaticContact CG-CZ 3.81Å; F208-F269 HydrophobicContact CG-CZ 3.81Å; F208-F269 AromaticContact CZ-CZ 3.86Å; F208-F269 HydrophobicContact CZ-CZ 3.86Å; F210-F269 AromaticContact CE2-CD1 3.83Å; F210-F269 HydrophobicContact CE2-CD1 3.83Å; F210-F269 HydrophobicContact CE2-CE1 4.02Å; F210-F269 HydrophobicContact CE2-CG 4.15Å; F210-F269 HydrophobicContact CZ-CD1 4.18Å; F210-F269 HydrophobicContact CZ-CD2 4.27Å; F210-F269 HydrophobicContact CZ-CE1 4.13Å; F210-F269 HydrophobicContact CZ-CE2 4.24Å; F210-F269 HydrophobicContact CZ-CG 4.23Å; F210-F269 HydrophobicContact CZ-CZ 4.17Å; S265-F269 WeakPolarHBondContact O-CB 3.43Å; S265-F269 PolarHBondContact O-N 2.97Å; L266-F269 HydrophobicContact CD1-CD1 4.08Å; L266-F269 WeakPolarHBondContact O-CB 3.23Å; L266-F269 PolarHBondContact O-N 2.86Å; F269-T271 PolarHBondContact O-N 3.17Å; F269-T271 VanDerWaalsContact O-N 3.12Å; F269-F272 WeakPolarHBondContact O-CD2 3.47Å; F269-F272 PolarHBondContact O-N 2.84Å; F269-L273 HydrophobicContact CD1-CD1 4.29Å; F269-L273 HydrophobicContact CE1-CD1 3.68Å; F269-L273 HydrophobicContact CE1-CG 4.35Å; F269-L273 HydrophobicContact CZ-CD1 4.13Å; F269-L273 HydrophobicContact CZ-CD2 4.28Å; F269-F325 HydrophobicContact CB-CD2 4.39Å; F269-F325 HydrophobicContact CB-CE2 3.83Å; F269-F325 HydrophobicContact CB-CZ 3.92Å; F269-F325 AromaticContact CD2-CD1 3.64Å; F269-F325 HydrophobicContact CD2-CD1 3.64Å; F269-F325 HydrophobicContact CD2-CD2 4.23Å; F269-F325 AromaticContact CD2-CE1 3.49Å; F269-F325 HydrophobicContact CD2-CE1 3.49Å; F269-F325 VanDerWaalsContact CD2-CE1 3.49Å; F269-F325 HydrophobicContact CD2-CE2 4.09Å; F269-F325 HydrophobicContact CD2-CG 4.02Å; F269-F325 AromaticContact CD2-CZ 3.72Å; F269-F325 HydrophobicContact CD2-CZ 3.72Å; F269-F325 HydrophobicContact CE2-CD1 4.05Å; F269-F325 AromaticContact CE2-CE1 3.99Å; F269-F325 HydrophobicContact CE2-CE1 3.99Å; F269-F325 HydrophobicContact CG-CE1 4.27Å; F269-F325 HydrophobicContact CG-CE2 4.39Å; F269-F325 HydrophobicContact CG-CZ 4.09Å; F269-I327 HydrophobicContact CE2-CD1 3.98Å; F269-L339 HydrophobicContact CD2-CD1 4.4Å; F269-L339 HydrophobicContact CE2-CD1 3.67Å; F269-L339 HydrophobicContact CZ-CD1 4.29Å
270	L	98.2	Very high	97.8	Very high	9 Å²	9	41.5 Å²	41.5	5%	0.047	20%	0.202	C	C	.	.	H	α-helix	trans	-61	-22.4	178.1	-71.2	171.6	0	0	0	113.2	V109 R112 V114 V151 I188 L266 K268 F272 L273	V109-L270 HydrophobicContact CB-CD1 4.32Å; V109-L270 HydrophobicContact CG1-CD1 4.06Å; V109-L270 HydrophobicContact CG2-CD1 4.34Å; R112-L270 PolarHBondContact NH1-O 3.17Å; V114-L270 HydrophobicContact CG2-CD1 4.36Å; V151-L270 HydrophobicContact CG2-CD1 4.45Å; I188-L270 HydrophobicContact CD1-CD2 3.92Å; L266-L270 HydrophobicContact CD1-CD1 4.44Å; L266-L270 HydrophobicContact CD1-CG 4.14Å; L266-L270 HydrophobicContact CG-CD1 4.32Å; L266-L270 HydrophobicContact CG-CG 4.5Å; L266-L270 WeakPolarHBondContact O-CG 3.44Å; L266-L270 PolarHBondContact O-N 3.21Å; K268-L270 VanDerWaalsContact C-N 3.31Å; K268-L270 PolarHBondContact O-N 3.07Å; L270-F272 PolarHBondContact O-N 3.38Å; L270-L273 PolarHBondContact O-N 3.31Å
271	T	97.5	Very high	97.6	Very high	19 Å²	19	39.1 Å²	39.1	12%	0.117	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-21.3	175.6	72.2	0	0	0	0	113.5	N110 K268 F269 P282 R341	N110-T271 VanDerWaalsContact ND2-CG2 3.34Å; N110-T271 WeakPolarHBondContact ND2-CG2 3.26Å; K268-T271 VanDerWaalsContact O-CB 3.31Å; K268-T271 WeakPolarHBondContact O-CB 3.49Å; K268-T271 WeakPolarHBondContact O-CG2 3.49Å; K268-T271 PolarHBondContact O-N 2.89Å; K268-T271 PolarHBondContact O-OG1 3.19Å; F269-T271 PolarHBondContact O-N 3.17Å; F269-T271 VanDerWaalsContact O-N 3.12Å; T271-P282 WeakPolarHBondContact O-CG 3.33Å; T271-R341 PolarHBondContact O-NH2 2.8Å; T271-R341 PolarHBondContact OG1-NH2 2.89Å
272	F	98.3	Very high	97.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-30.2	177.4	-66.8	-82.3	0	0	0	111.9	K268 F269 L270 F325 L339 R341 T346	K268-F272 HydrophobicContact CG-CE2 4.37Å; F269-F272 WeakPolarHBondContact O-CD2 3.47Å; F269-F272 PolarHBondContact O-N 2.84Å; L270-F272 PolarHBondContact O-N 3.38Å; F272-F325 HydrophobicContact CE2-CB 3.92Å; F272-F325 HydrophobicContact CE2-CD2 4.48Å; F272-F325 HydrophobicContact CZ-CB 4.26Å; F272-L339 HydrophobicContact CB-CB 4.17Å; F272-L339 HydrophobicContact CB-CD1 3.75Å; F272-L339 HydrophobicContact CD1-CB 3.95Å; F272-L339 HydrophobicContact CD2-CB 4.49Å; F272-L339 HydrophobicContact CE1-CB 4.46Å; F272-L339 HydrophobicContact CG-CB 3.96Å; F272-L339 HydrophobicContact CG-CD1 4.32Å; F272-R341 HydrophobicContact CD1-CG 4.35Å; F272-R341 HydrophobicContact CE1-CG 4.11Å; F272-T346 HydrophobicContact CB-CG2 3.96Å; F272-T346 HydrophobicContact CD1-CG2 4.18Å; F272-T346 WeakPolarHBondContact O-CB 3.29Å; F272-T346 VanDerWaalsContact O-CG2 3.3Å; F272-T346 WeakPolarHBondContact O-CG2 3.42Å; F272-T346 PolarHBondContact O-OG1 3.12Å
273	L	98.4	Very high	97.2	Very high	1 Å²	1	43 Å²	43	1%	0.005	21%	0.21	C	C	.	.	S	Bend	trans	-86.6	146.2	-168.7	-52	-171.3	0	0	0	112.1	R112 P186 I188 F269 L270 P282 L339 F375 I381	R112-L273 VanDerWaalsContact CZ-O 3.31Å; R112-L273 PolarHBondContact NH1-O 3.22Å; R112-L273 PolarHBondContact NH2-O 3.01Å; P186-L273 HydrophobicContact CB-CD1 3.88Å; P186-L273 HydrophobicContact CG-CB 4.38Å; P186-L273 HydrophobicContact CG-CD1 4.37Å; I188-L273 HydrophobicContact CD1-CD1 4.25Å; F269-L273 HydrophobicContact CD1-CD1 4.29Å; F269-L273 HydrophobicContact CE1-CD1 3.68Å; F269-L273 HydrophobicContact CE1-CG 4.35Å; F269-L273 HydrophobicContact CZ-CD1 4.13Å; F269-L273 HydrophobicContact CZ-CD2 4.28Å; L270-L273 PolarHBondContact O-N 3.31Å; L273-P282 VanDerWaalsContact O-CD 3.31Å; L273-P282 WeakPolarHBondContact O-CD 3.32Å; L273-L339 HydrophobicContact CD2-CD1 3.68Å; L273-F375 HydrophobicContact CD1-CZ 4.32Å; L273-F375 HydrophobicContact CD2-CE1 3.86Å; L273-F375 HydrophobicContact CD2-CZ 3.73Å; L273-I381 HydrophobicContact CD2-CD1 4.36Å
274	P	98.1	Very high	96.9	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.006	23%	0.228	C	C	.	.			trans	-66.2	169.4	162.4	33.3	-38	0	0	0	111	R112 P186 E279 F379	R112-P274 VanDerWaalsContact NH2-C 3.33Å; P186-P274 WeakPolarHBondContact CG-O 3.2Å; P274-E279 HydrophobicContact CB-CB 4.36Å; P274-F379 HydrophobicContact CG-CB 3.76Å; P274-F379 HydrophobicContact CG-CD1 3.99Å; P274-F379 HydrophobicContact CG-CG 4.29Å; P274-F379 WeakPolarHBondContact CG-O 3.24Å
275	L	98.1	Very high	96.7	Very high	24 Å²	24	50.3 Å²	50.3	13%	0.126	24%	0.241	C	C	.	.	S	Bend	trans	-75.7	-31.7	174.1	-67.1	175.9	0	0	0	112.7	R112 P113 G147 P149 P186	R112-L275 HydrophobicContact CB-CD2 4.2Å; P113-L275 HydrophobicContact CG-CD1 4.02Å; P113-L275 HydrophobicContact CG-CD2 4.3Å; G147-L275 CarbonylContact O-C 3.41Å; G147-L275 WeakPolarHBondContact O-CB 3.24Å; P149-L275 WeakPolarHBondContact CD-O 3.08Å; P149-L275 HydrophobicContact CG-CD2 4.12Å; P186-L275 WeakPolarHBondContact CD-O 3.46Å
276	S	98.4	Very high	96.4	Very high	7 Å²	7	51 Å²	51	5%	0.049	25%	0.246	C	C	.	.	S	Bend	trans	-156.1	171.3	178.3	67	0	0	0	0	110.9	V184 K278 E279	V184-S276 CarbonylContact O-C 3.19Å; V184-S276 VanDerWaalsContact O-CA 3.28Å; V184-S276 WeakPolarHBondContact O-CA 3.42Å; V184-S276 WeakPolarHBondContact O-CB 3.41Å; S276-K278 PolarHBondContact O-N 3.27Å; S276-K278 VanDerWaalsContact O-N 3.14Å; S276-K278 PolarHBondContact OG-N 2.73Å; S276-E279 PolarHBondContact O-N 3.27Å
277	N	98.1	Very high	96.2	Very high	52 Å²	52	57.7 Å²	57.7	28%	0.278	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-9.1	175.5	72.1	-2.8	0	0	0	114.8	G183 V184 A378 F379 N380	G183-N277 WeakPolarHBondContact O-CB 3.44Å; G183-N277 PolarHBondContact O-ND2 2.88Å; V184-N277 PolarHBondContact O-N 3Å; N277-A378 WeakPolarHBondContact CB-O 3.41Å; N277-F379 HydrophobicContact CB-CD1 4.41Å; N277-N380 PolarHBondContact O-ND2 3.46Å
278	K	96.6	Very high	96	Very high	188 Å²	188	56.6 Å²	56.6	82%	0.817	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-14.5	176.1	-65.5	-174.1	179.4	175.5	0	112.8	S276	S276-K278 PolarHBondContact O-N 3.27Å; S276-K278 VanDerWaalsContact O-N 3.14Å; S276-K278 PolarHBondContact OG-N 2.73Å
279	E	94.6	Very high	95.9	Very high	91 Å²	91	55.7 Å²	55.7	43%	0.425	28%	0.278	S	S	.	.	S	Bend	trans	-110.5	154.2	-179.1	-66	178.9	-168.1	0	0	110.2	P274 S276 N380	P274-E279 HydrophobicContact CB-CB 4.36Å; S276-E279 PolarHBondContact O-N 3.27Å; E279-N380 PolarHBondContact O-ND2 3.23Å
280	K	93.4	Very high	95.7	Very high	113 Å²	113	59.4 Å²	59.4	49%	0.491	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-79.9	157.3	167	-70.6	179.5	174.8	-179.5	0	109.8	E518	K280-E518 PolarHBondContact NZ-O 2.75Å; K280-E518 IonicContact NZ-OE1 3.82Å
281	P	95.2	Very high	95.6	Very high	17 Å²	17	63.7 Å²	63.7	11%	0.11	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-53.8	147.1	170.9	-24	33.9	0	0	0	111.3	T346 N380 I381	P281-T346 HydrophobicContact CB-CG2 4.44Å; P281-N380 VanDerWaalsContact CD-O 3.23Å; P281-N380 WeakPolarHBondContact CD-O 3.13Å; P281-I381 HydrophobicContact CG-CB 4.34Å; P281-I381 HydrophobicContact CG-CG1 3.53Å
282	P	94.2	Very high	95.5	Very high	36 Å²	36	66.1 Å²	66.1	23%	0.234	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-63.4	139	179.5	29.1	-36.3	0	0	0	110.6	T271 L273	T271-P282 WeakPolarHBondContact O-CG 3.33Å; L273-P282 VanDerWaalsContact O-CD 3.31Å; L273-P282 WeakPolarHBondContact O-CD 3.32Å
283	I	94.2	Very high	95.5	Very high	98 Å²	98	70.2 Å²	70.2	50%	0.503	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-90.1	125.3	169.6	-56.1	176.5	0	0	0	107.1	G344 R345	I283-G344 WeakPolarHBondContact CA-O 3.3Å; I283-R345 HydrophobicContact CG1-CG 4.32Å
284	Q	92.8	Very high	95.4	Very high	81 Å²	81	70.5 Å²	70.5	38%	0.379	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-97.1	152	172.4	-74.9	-167.6	-28.2	0	0	110.7	C286 G344	Q284-C286 PolarHBondContact O-N 3.31Å; Q284-G344 PolarHBondContact N-O 3.4Å; Q284-G344 VanDerWaalsContact O-CA 3.3Å; Q284-G344 WeakPolarHBondContact O-CA 3.36Å
285	E	93.2	Very high	95.4	Very high	162 Å²	162	74.8 Å²	74.8	76%	0.757	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-58.5	131.3	166.2	-172.7	173.2	-177.5	0	0	108.7	H287	E285-H287 IonicContact OE1-CE1 3.55Å; E285-H287 PolarHBondContact OE1-CE1 3.18Å
286	C	92.4	Very high	95.3	Very high	39 Å²	39	76.2 Å²	76.2	26%	0.264	39%	0.39	S	S	.	.			trans	-120.3	126	-176.5	-177.4	0	0	0	0	108.6	Q284 D288 D320	Q284-C286 PolarHBondContact O-N 3.31Å; C286-D288 PolarHBondContact SG-O 3.28Å; C286-D288 VanDerWaalsContact SG-O 3.39Å; C286-D320 PolarHBondContact SG-OD2 2.96Å
287	H	93.8	Very high	95.3	Very high	141 Å²	141	76 Å²	76	65%	0.653	39%	0.388	S	S	*	.			trans	-99.2	-5.1	176	-59.3	-58.2	0	0	0	112.6	E285 P289	E285-H287 IonicContact OE1-CE1 3.55Å; E285-H287 PolarHBondContact OE1-CE1 3.18Å; H287-P289 WeakPolarHBondContact O-CD 3.44Å
288	D	94.6	Very high	95.3	Very high	20 Å²	20	77.1 Å²	77.1	11%	0.107	39%	0.394	C	S	.	.	S	Bend	trans	-83.9	117.3	173.8	-169	-11.5	0	0	0	109.8	C286 I290 R292 D320 E321 R507	C286-D288 PolarHBondContact SG-O 3.28Å; C286-D288 VanDerWaalsContact SG-O 3.39Å; D288-I290 PolarHBondContact O-N 3.47Å; D288-R292 IonicContact OD1-CZ 2.75Å; D288-R292 IonicContact OD1-NE 3.27Å; D288-R292 PolarHBondContact OD1-NE 2.83Å; D288-R292 IonicContact OD1-NH2 2.72Å; D288-R292 IonicContact OD2-CZ 2.86Å; D288-R292 IonicContact OD2-NE 3.85Å; D288-R292 PolarHBondContact OD2-NE 2.71Å; D288-R292 IonicContact OD2-NH2 2.73Å; D288-R292 PolarHBondContact OD2-NH2 2.83Å; D288-D320 HydrophobicContact CB-CB 4.46Å; D288-E321 HydrophobicContact CB-CG 4.41Å; D288-E321 PolarHBondContact OD2-N 2.79Å; D288-R507 PolarHBondContact O-NH2 3.03Å; D288-R507 IonicContact OD1-CZ 2.81Å; D288-R507 IonicContact OD1-NE 3.12Å; D288-R507 IonicContact OD1-NH2 3.56Å; D288-R507 PolarHBondContact OD1-NH2 3.06Å; D288-R507 IonicContact OD2-CZ 3.33Å; D288-R507 IonicContact OD2-NH1 3.16Å; D288-R507 IonicContact OD2-NH2 2.75Å; D288-R507 PolarHBondContact OD2-NH2 3.41Å
289	P	95.8	Very high	95.3	Very high	71 Å²	71	73.8 Å²	73.8	46%	0.461	39%	0.389	S	S	.	.			trans	-54.6	133	-177.8	-24.9	33.7	0	0	0	112.8	H287 D291 R292 R507	H287-P289 WeakPolarHBondContact O-CD 3.44Å; P289-D291 WeakPolarHBondContact CB-OD1 3.38Å; P289-D291 PolarHBondContact O-N 2.83Å; P289-R292 HydrophobicContact CB-CB 4.3Å; P289-R292 WeakPolarHBondContact O-CB 3.47Å; P289-R292 PolarHBondContact O-N 2.86Å; P289-R507 PolarHBondContact O-NE 3.42Å; P289-R507 VanDerWaalsContact O-NE 3.08Å; P289-R507 PolarHBondContact O-NH2 3.15Å
290	I	94.4	Very high	95.4	Very high	77 Å²	77	70.6 Å²	70.6	40%	0.395	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-25.3	178.8	60.7	167.4	0	0	0	112.2	D288 C511	D288-I290 PolarHBondContact O-N 3.47Å; I290-C511 HydrophobicContact CB-CB 4.11Å
291	D	95	Very high	95.6	Very high	100 Å²	100	65.9 Å²	65.9	54%	0.535	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	9.2	-177.7	63.8	-22.5	0	0	0	113.2	P289 L293 L508	P289-D291 WeakPolarHBondContact CB-OD1 3.38Å; P289-D291 PolarHBondContact O-N 2.83Å; D291-L293 PolarHBondContact O-N 3.35Å; D291-L293 VanDerWaalsContact O-N 3.1Å; D291-L508 HydrophobicContact CB-CD1 4.02Å
292	R	96.3	Very high	95.6	Very high	69 Å²	69	66.9 Å²	66.9	26%	0.26	36%	0.362	S	S	.	.			trans	-57.3	116.9	174.9	175.8	171.9	62.5	83.2	-6.5	110.2	D288 P289 D317 I319	D288-R292 IonicContact OD1-CZ 2.75Å; D288-R292 IonicContact OD1-NE 3.27Å; D288-R292 PolarHBondContact OD1-NE 2.83Å; D288-R292 IonicContact OD1-NH2 2.72Å; D288-R292 IonicContact OD2-CZ 2.86Å; D288-R292 IonicContact OD2-NE 3.85Å; D288-R292 PolarHBondContact OD2-NE 2.71Å; D288-R292 IonicContact OD2-NH2 2.73Å; D288-R292 PolarHBondContact OD2-NH2 2.83Å; P289-R292 HydrophobicContact CB-CB 4.3Å; P289-R292 WeakPolarHBondContact O-CB 3.47Å; P289-R292 PolarHBondContact O-N 2.86Å; R292-D317 PolarHBondContact NH1-O 2.84Å; R292-D317 PolarHBondContact NH2-O 3.39Å; R292-D317 VanDerWaalsContact NH2-O 3.08Å; R292-I319 PolarHBondContact NH2-O 3.06Å
293	L	97.2	Very high	95.4	Very high	87 Å²	87	73.5 Å²	73.5	46%	0.455	40%	0.395	S	S	.	.			trans	-74.5	150.1	167.6	-56.8	-172.9	0	0	0	110.2	D291 P295 L505	D291-L293 PolarHBondContact O-N 3.35Å; D291-L293 VanDerWaalsContact O-N 3.1Å; L293-P295 WeakPolarHBondContact O-CD 3.46Å; L293-L505 HydrophobicContact CD2-CD2 3.69Å
294	V	97.7	Very high	95.2	Very high	6 Å²	6	73.6 Å²	73.6	4%	0.036	39%	0.393	C	S	.	.			trans	-127.6	74.6	-174	-160	0	0	0	0	111.2	S296 L297 D317 H504 R507	V294-S296 PolarHBondContact O-N 2.69Å; V294-S296 VanDerWaalsContact O-N 3.1Å; V294-L297 HydrophobicContact CB-CD1 3.78Å; V294-L297 HydrophobicContact CB-CG 3.95Å; V294-L297 HydrophobicContact CG1-CD1 3.99Å; V294-L297 HydrophobicContact CG1-CD2 4.46Å; V294-L297 HydrophobicContact CG1-CG 3.77Å; V294-L297 HydrophobicContact CG2-CD1 4.44Å; V294-L297 WeakPolarHBondContact O-CB 3.19Å; V294-L297 WeakPolarHBondContact O-CG 3.33Å; V294-L297 PolarHBondContact O-N 3.3Å; V294-D317 HydrophobicContact CG1-CB 3.85Å; V294-H504 PolarHBondContact N-O 3.07Å; V294-H504 WeakPolarHBondContact O-CA 3.31Å; V294-H504 VanDerWaalsContact O-CB 3.3Å; V294-H504 WeakPolarHBondContact O-CB 3.23Å; V294-R507 HydrophobicContact CG2-CB 4.09Å
295	P	97.6	Very high	94.9	Very high	92 Å²	92	72.8 Å²	72.8	60%	0.597	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-58.8	-25.5	-172.2	-25.9	35.3	0	0	0	115.1	L293 L297 D298	L293-P295 WeakPolarHBondContact O-CD 3.46Å; P295-L297 PolarHBondContact O-N 3.16Å; P295-D298 PolarHBondContact O-N 3.39Å
296	S	96.5	Very high	94.6	Very high	54 Å²	54	70.6 Å²	70.6	38%	0.378	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-56.6	-31	175.7	45.8	0	0	0	0	112.8	V294 D298 T299 I300 D317	V294-S296 PolarHBondContact O-N 2.69Å; V294-S296 VanDerWaalsContact O-N 3.1Å; S296-D298 PolarHBondContact O-N 3.22Å; S296-T299 PolarHBondContact O-N 3.07Å; S296-T299 PolarHBondContact O-OG1 2.95Å; S296-I300 PolarHBondContact O-N 2.75Å; S296-D317 PolarHBondContact OG-OD2 2.91Å
297	L	97.8	Very high	94.7	Very high	1 Å²	1	71.1 Å²	71.1	1%	0.005	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-66.3	-24.4	-178.8	-60.6	-176.6	0	0	0	113	V294 P295 T299 I300 I314 D317 I318 W450 P503	V294-L297 HydrophobicContact CB-CD1 3.78Å; V294-L297 HydrophobicContact CB-CG 3.95Å; V294-L297 HydrophobicContact CG1-CD1 3.99Å; V294-L297 HydrophobicContact CG1-CD2 4.46Å; V294-L297 HydrophobicContact CG1-CG 3.77Å; V294-L297 HydrophobicContact CG2-CD1 4.44Å; V294-L297 WeakPolarHBondContact O-CB 3.19Å; V294-L297 WeakPolarHBondContact O-CG 3.33Å; V294-L297 PolarHBondContact O-N 3.3Å; P295-L297 PolarHBondContact O-N 3.16Å; L297-T299 PolarHBondContact O-N 3.3Å; L297-I300 WeakPolarHBondContact O-CG2 3.28Å; L297-I314 HydrophobicContact CD2-CB 4.38Å; L297-I314 HydrophobicContact CD2-CG1 4.23Å; L297-I314 HydrophobicContact CD2-CG2 4.18Å; L297-D317 HydrophobicContact CD2-CB 3.92Å; L297-I318 HydrophobicContact CD1-CG2 3.74Å; L297-W450 HydrophobicContact CB-CH2 3.88Å; L297-W450 HydrophobicContact CB-CZ2 4.19Å; L297-W450 HydrophobicContact CD1-CH2 4.48Å; L297-W450 HydrophobicContact CD1-CZ2 4.22Å; L297-W450 HydrophobicContact CD2-CH2 4.22Å; L297-W450 HydrophobicContact CG-CH2 4.41Å; L297-P503 HydrophobicContact CB-CB 3.74Å; L297-P503 WeakPolarHBondContact CD1-O 3.44Å; L297-P503 WeakPolarHBondContact O-CB 2.98Å
298	D	97.8	Very high	94.8	Very high	77 Å²	77	66.9 Å²	66.9	41%	0.412	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-69.5	-18.4	-178.8	-64.9	-22.5	0	0	0	112.5	P295 S296 P503 H504	P295-D298 PolarHBondContact O-N 3.39Å; S296-D298 PolarHBondContact O-N 3.22Å; D298-P503 WeakPolarHBondContact OD1-CB 3.26Å; D298-P503 VanDerWaalsContact OD1-CD 3.31Å; D298-P503 WeakPolarHBondContact OD1-CD 3.39Å; D298-H504 IonicContact OD1-CG 2.83Å; D298-H504 PolarHBondContact OD1-N 3.46Å; D298-H504 IonicContact OD1-ND1 2.68Å; D298-H504 PolarHBondContact OD1-ND1 3.26Å; D298-H504 VanDerWaalsContact OD1-ND1 3.09Å; D298-H504 IonicContact OD2-CE1 2.7Å; D298-H504 IonicContact OD2-CG 2.75Å; D298-H504 IonicContact OD2-ND1 3.96Å; D298-H504 PolarHBondContact OD2-ND1 3.49Å
299	T	96.8	Very high	95	Very high	117 Å²	117	66.5 Å²	66.5	72%	0.718	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.7	-3	-175.8	57.9	0	0	0	0	114.7	S296 L297	S296-T299 PolarHBondContact O-N 3.07Å; S296-T299 PolarHBondContact O-OG1 2.95Å; L297-T299 PolarHBondContact O-N 3.3Å
300	I	96.8	Very high	95.1	Very high	24 Å²	24	64.4 Å²	64.4	12%	0.123	37%	0.368	C	S	.	.	S	Bend	trans	-71.4	-32.1	-172.7	-165.7	158.8	0	0	0	113.2	S296 L297 P302 E313 I314 W450	S296-I300 PolarHBondContact O-N 2.75Å; L297-I300 WeakPolarHBondContact O-CG2 3.28Å; I300-P302 WeakPolarHBondContact O-CD 3.38Å; I300-E313 HydrophobicContact CD1-CB 3.65Å; I300-I314 HydrophobicContact CD1-CG1 3.61Å; I300-I314 HydrophobicContact CG1-CG1 4.28Å; I300-I314 HydrophobicContact CG2-CD1 3.86Å; I300-I314 HydrophobicContact CG2-CG1 3.88Å; I300-W450 HydrophobicContact CG2-CH2 4.11Å; I300-W450 HydrophobicContact CG2-CZ3 3.86Å
301	V	97	Very high	95.3	Very high	14 Å²	14	60.8 Å²	60.8	9%	0.085	35%	0.35	C	S	.	.	S	Bend	trans	-80.7	118.2	176.6	179.2	0	0	0	0	108.4	Y309 I426 R427 W450 T452	V301-Y309 HydrophobicContact CG1-CE1 4.37Å; V301-Y309 HydrophobicContact CG2-CE1 4.22Å; V301-I426 HydrophobicContact CG2-CG2 3.65Å; V301-R427 HydrophobicContact CG1-CB 4.37Å; V301-R427 HydrophobicContact CG1-CG 4.28Å; V301-W450 HydrophobicContact CG2-CE3 3.98Å; V301-W450 HydrophobicContact CG2-CZ3 3.77Å; V301-T452 HydrophobicContact CB-CG2 4.34Å; V301-T452 HydrophobicContact CG1-CG2 4.1Å
302	P	95.6	Very high	95.4	Very high	39 Å²	39	57.1 Å²	57.1	25%	0.253	33%	0.331	S	S	.	.			trans	-62.9	140.7	177.8	-21.2	33.6	0	0	0	111	I300 E304 Y309	I300-P302 WeakPolarHBondContact O-CD 3.38Å; P302-E304 PolarHBondContact O-N 3.34Å; P302-Y309 HydrophobicContact CG-CD1 4.49Å
303	L	90.5	Very high	95.5	Very high	174 Å²	174	58.4 Å²	58.4	91%	0.911	34%	0.34	S	S	*	.	S	Bend	trans	-63.4	-29.6	173.8	-63.1	177.1	0	0	0	112.3	P305	L303-P305 VanDerWaalsContact O-CD 3.31Å; L303-P305 WeakPolarHBondContact O-CD 3.48Å
304	E	90.5	Very high	95.6	Very high	101 Å²	101	54.2 Å²	54.2	47%	0.472	32%	0.318	S	S	.	.	S	Bend	trans	-74.1	114.4	175.4	175.5	51.4	-128.2	0	0	110.2	P302 T306 S307	P302-E304 PolarHBondContact O-N 3.34Å; E304-T306 WeakPolarHBondContact CG-OG1 3.05Å; E304-T306 PolarHBondContact O-N 3.12Å; E304-T306 PolarHBondContact OE1-N 3.26Å; E304-T306 PolarHBondContact OE1-OG1 2.92Å; E304-S307 WeakPolarHBondContact CG-OG 3.39Å; E304-S307 WeakPolarHBondContact O-CB 3.38Å; E304-S307 PolarHBondContact O-N 3.5Å
305	P	85.7	Confident	95.6	Very high	63 Å²	63	54 Å²	54	41%	0.409	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-24.9	-172	-24.9	34.4	0	0	0	114.4	L303 K428	L303-P305 VanDerWaalsContact O-CD 3.31Å; L303-P305 WeakPolarHBondContact O-CD 3.48Å; P305-K428 WeakPolarHBondContact O-CE 3.3Å; P305-K428 PolarHBondContact O-NZ 3.5Å
306	T	87.3	Confident	95.7	Very high	117 Å²	117	54.8 Å²	54.8	72%	0.718	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-15.5	-179.6	60	0	0	0	0	113.6	E304	E304-T306 WeakPolarHBondContact CG-OG1 3.05Å; E304-T306 PolarHBondContact O-N 3.12Å; E304-T306 PolarHBondContact OE1-N 3.26Å; E304-T306 PolarHBondContact OE1-OG1 2.92Å
307	S	94.2	Very high	95.7	Very high	49 Å²	49	54.6 Å²	54.6	34%	0.343	31%	0.306	S	S	.	.			trans	-78.3	135	-177.8	-69.3	0	0	0	0	111.7	E304 R427	E304-S307 WeakPolarHBondContact CG-OG 3.39Å; E304-S307 WeakPolarHBondContact O-CB 3.38Å; E304-S307 PolarHBondContact O-N 3.5Å; S307-R427 PolarHBondContact O-NH1 3.27Å
308	A	95.8	Very high	95.7	Very high	53 Å²	53	54.6 Å²	54.6	44%	0.438	31%	0.305	S	S	.	.			trans	-88.8	157.2	175.7	0	0	0	0	0	111.7	P354 K355	A308-P354 HydrophobicContact CB-CB 4.22Å; A308-K355 HydrophobicContact CB-CG 4.27Å
309	Y	97.7	Very high	95.7	Very high	11 Å²	11	50.9 Å²	50.9	4%	0.043	29%	0.286	C	S	.	.			trans	-137.9	166.8	171.8	61.7	-85.7	0	0	0	109.1	V301 P302 M311 I314 Q353 P354 D388 I426	V301-Y309 HydrophobicContact CG1-CE1 4.37Å; V301-Y309 HydrophobicContact CG2-CE1 4.22Å; P302-Y309 HydrophobicContact CG-CD1 4.49Å; Y309-M311 HydrophobicContact CE2-CE 3.79Å; Y309-M311 HydrophobicContact CE2-SD 4.37Å; Y309-M311 VanDerWaalsContact OH-CE 3.24Å; Y309-M311 WeakPolarHBondContact OH-CE 3.16Å; Y309-I314 HydrophobicContact CD2-CD1 4.17Å; Y309-I314 HydrophobicContact CE2-CD1 3.57Å; Y309-Q353 PolarHBondContact O-OE1 3.29Å; Y309-P354 HydrophobicContact CD1-CG 4.37Å; Y309-P354 HydrophobicContact CE1-CB 4.42Å; Y309-P354 HydrophobicContact CE1-CG 3.86Å; Y309-P354 HydrophobicContact CE2-CG 4.25Å; Y309-D388 WeakPolarHBondContact CE1-OD2 3.49Å; Y309-D388 VanDerWaalsContact CZ-OD2 3.3Å; Y309-D388 WeakPolarHBondContact OH-CB 3.31Å; Y309-D388 PolarHBondContact OH-OD2 3.4Å; Y309-I426 HydrophobicContact CE2-CG2 4.43Å; Y309-I426 VanDerWaalsContact OH-CG2 3.25Å; Y309-I426 WeakPolarHBondContact OH-CG2 3.46Å
310	D	98	Very high	95.8	Very high	28 Å²	28	45.8 Å²	45.8	15%	0.15	25%	0.254	C	S	.	.			trans	-86.6	113	178.9	-147.1	-43.9	0	0	0	111.7	T312 E313 Q353 K355	D310-T312 PolarHBondContact O-N 3.11Å; D310-T312 WeakPolarHBondContact OD1-CB 3.37Å; D310-T312 WeakPolarHBondContact OD1-CG2 3.45Å; D310-T312 PolarHBondContact OD1-N 3.15Å; D310-T312 PolarHBondContact OD1-OG1 3.26Å; D310-E313 HydrophobicContact CB-CB 4.38Å; D310-E313 HydrophobicContact CB-CG 3.91Å; D310-E313 WeakPolarHBondContact CB-OE1 3.49Å; D310-E313 PolarHBondContact O-N 3.35Å; D310-Q353 PolarHBondContact OD1-NE2 3.1Å; D310-K355 HydrophobicContact CB-CD 4.09Å; D310-K355 VanDerWaalsContact CB-NZ 3.31Å; D310-K355 IonicContact OD2-NZ 3.75Å; D310-K355 PolarHBondContact OD2-NZ 3.03Å
311	M	98.7	Very high	95.7	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-65.2	-22.3	174.2	-172.8	63.3	68.7	0	0	112.4	Y309 E313 I314 I315 I336 A351 N352 L386 D388 I426	Y309-M311 HydrophobicContact CE2-CE 3.79Å; Y309-M311 HydrophobicContact CE2-SD 4.37Å; Y309-M311 VanDerWaalsContact OH-CE 3.24Å; Y309-M311 WeakPolarHBondContact OH-CE 3.16Å; M311-E313 VanDerWaalsContact C-N 3.26Å; M311-E313 PolarHBondContact O-N 3.28Å; M311-I314 HydrophobicContact CE-CD1 4.5Å; M311-I314 PolarHBondContact O-N 3.27Å; M311-I314 HydrophobicContact SD-CB 4.17Å; M311-I314 HydrophobicContact SD-CD1 3.86Å; M311-I314 HydrophobicContact SD-CG1 4.46Å; M311-I314 HydrophobicContact SD-CG2 4.5Å; M311-I315 HydrophobicContact CG-CD1 4.44Å; M311-I315 WeakPolarHBondContact O-CG1 3.44Å; M311-I315 PolarHBondContact O-N 3.17Å; M311-I315 VanDerWaalsContact O-N 3.08Å; M311-I336 HydrophobicContact CB-CD1 3.78Å; M311-I336 HydrophobicContact CG-CD1 4.16Å; M311-A351 HydrophobicContact CG-CB 3.63Å; M311-N352 WeakPolarHBondContact CB-O 3.11Å; M311-N352 WeakPolarHBondContact CG-O 3.48Å; M311-L386 HydrophobicContact SD-CB 3.94Å; M311-L386 HydrophobicContact SD-CD1 4.04Å; M311-D388 HydrophobicContact CE-CB 3.96Å; M311-I426 HydrophobicContact CE-CB 4.37Å; M311-I426 HydrophobicContact CE-CG1 4.13Å; M311-I426 HydrophobicContact CE-CG2 4.47Å; M311-I426 HydrophobicContact SD-CG1 4.43Å
312	T	98.3	Very high	95.7	Very high	23 Å²	23	51.8 Å²	51.8	14%	0.141	29%	0.288	C	S	.	.	H	α-helix	trans	-68.9	-25	177.2	66.2	0	0	0	0	113.1	D310 I315 K316 I336	D310-T312 PolarHBondContact O-N 3.11Å; D310-T312 WeakPolarHBondContact OD1-CB 3.37Å; D310-T312 WeakPolarHBondContact OD1-CG2 3.45Å; D310-T312 PolarHBondContact OD1-N 3.15Å; D310-T312 PolarHBondContact OD1-OG1 3.26Å; T312-I315 PolarHBondContact O-N 3.05Å; T312-K316 VanDerWaalsContact O-CG 3.32Å; T312-K316 WeakPolarHBondContact O-CG 3.35Å; T312-K316 PolarHBondContact O-N 3.33Å; T312-I336 HydrophobicContact CG2-CD1 3.62Å; T312-I336 HydrophobicContact CG2-CG1 4.25Å
313	E	98.1	Very high	95.8	Very high	96 Å²	96	52.1 Å²	52.1	45%	0.449	29%	0.288	S	S	.	.	H	α-helix	trans	-67	-47.3	173.4	-72.6	169.6	-148	0	0	109.9	I300 D310 M311 I315 K316 D317	I300-E313 HydrophobicContact CD1-CB 3.65Å; D310-E313 HydrophobicContact CB-CB 4.38Å; D310-E313 HydrophobicContact CB-CG 3.91Å; D310-E313 WeakPolarHBondContact CB-OE1 3.49Å; D310-E313 PolarHBondContact O-N 3.35Å; M311-E313 VanDerWaalsContact C-N 3.26Å; M311-E313 PolarHBondContact O-N 3.28Å; E313-I315 VanDerWaalsContact C-N 3.32Å; E313-I315 PolarHBondContact O-N 3.34Å; E313-K316 PolarHBondContact O-N 3.39Å; E313-D317 WeakPolarHBondContact O-CB 3.45Å; E313-D317 PolarHBondContact O-N 2.69Å
314	I	98.6	Very high	96.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-57.1	-46.6	173.7	-61.1	-179.4	0	0	0	110.8	L297 I300 Y309 M311 K316 D317 I318 L386 I426 W450	L297-I314 HydrophobicContact CD2-CB 4.38Å; L297-I314 HydrophobicContact CD2-CG1 4.23Å; L297-I314 HydrophobicContact CD2-CG2 4.18Å; I300-I314 HydrophobicContact CD1-CG1 3.61Å; I300-I314 HydrophobicContact CG1-CG1 4.28Å; I300-I314 HydrophobicContact CG2-CD1 3.86Å; I300-I314 HydrophobicContact CG2-CG1 3.88Å; Y309-I314 HydrophobicContact CD2-CD1 4.17Å; Y309-I314 HydrophobicContact CE2-CD1 3.57Å; M311-I314 HydrophobicContact CE-CD1 4.5Å; M311-I314 PolarHBondContact O-N 3.27Å; M311-I314 HydrophobicContact SD-CB 4.17Å; M311-I314 HydrophobicContact SD-CD1 3.86Å; M311-I314 HydrophobicContact SD-CG1 4.46Å; M311-I314 HydrophobicContact SD-CG2 4.5Å; I314-K316 PolarHBondContact O-N 3.03Å; I314-D317 PolarHBondContact O-N 2.72Å; I314-I318 HydrophobicContact CG2-CG2 4.46Å; I314-I318 WeakPolarHBondContact O-CG1 3.34Å; I314-I318 WeakPolarHBondContact O-CG2 3.39Å; I314-I318 PolarHBondContact O-N 2.84Å; I314-I318 VanDerWaalsContact O-N 3.12Å; I314-L386 HydrophobicContact CG2-CD1 4.15Å; I314-I426 HydrophobicContact CD1-CG2 3.92Å; I314-W450 HydrophobicContact CD1-CH2 3.84Å; I314-W450 HydrophobicContact CD1-CZ3 4.07Å; I314-W450 HydrophobicContact CG1-CH2 4.35Å; I314-W450 HydrophobicContact CG2-CH2 4.24Å; I314-W450 HydrophobicContact CG2-CZ2 4.48Å
315	I	98.7	Very high	96.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-57.7	-49.1	179.4	-69	168.7	0	0	0	111.1	M311 T312 E313 D317 I318 I319 F324 I336 I349 A351 L386	M311-I315 HydrophobicContact CG-CD1 4.44Å; M311-I315 WeakPolarHBondContact O-CG1 3.44Å; M311-I315 PolarHBondContact O-N 3.17Å; M311-I315 VanDerWaalsContact O-N 3.08Å; T312-I315 PolarHBondContact O-N 3.05Å; E313-I315 VanDerWaalsContact C-N 3.32Å; E313-I315 PolarHBondContact O-N 3.34Å; I315-D317 VanDerWaalsContact C-N 3.31Å; I315-D317 PolarHBondContact O-N 3.47Å; I315-I318 VanDerWaalsContact O-CG1 3.28Å; I315-I318 WeakPolarHBondContact O-CG1 3.38Å; I315-I318 PolarHBondContact O-N 3.25Å; I315-I319 HydrophobicContact CG2-CD1 4.16Å; I315-I319 HydrophobicContact CG2-CG2 4.47Å; I315-I319 VanDerWaalsContact O-CG1 3.25Å; I315-I319 WeakPolarHBondContact O-CG1 3.36Å; I315-I319 WeakPolarHBondContact O-CG2 3.45Å; I315-I319 PolarHBondContact O-N 3.26Å; I315-F324 HydrophobicContact CD1-CZ 4.47Å; I315-F324 HydrophobicContact CG2-CD1 4.2Å; I315-F324 HydrophobicContact CG2-CD2 3.98Å; I315-F324 HydrophobicContact CG2-CE1 4.38Å; I315-F324 HydrophobicContact CG2-CE2 4.17Å; I315-F324 HydrophobicContact CG2-CG 3.99Å; I315-F324 HydrophobicContact CG2-CZ 4.36Å; I315-I336 HydrophobicContact CD1-CB 4.33Å; I315-I336 HydrophobicContact CD1-CD1 4.2Å; I315-I336 HydrophobicContact CD1-CG2 3.76Å; I315-I349 HydrophobicContact CD1-CG2 3.9Å; I315-I349 HydrophobicContact CG1-CG2 4.05Å; I315-I349 HydrophobicContact CG2-CD1 3.7Å; I315-A351 HydrophobicContact CD1-CB 3.94Å; I315-L386 HydrophobicContact CG1-CD1 3.68Å
316	K	98.3	Very high	97.2	Very high	109 Å²	109	39.9 Å²	39.9	47%	0.474	22%	0.22	S	C	.	.	H	α-helix	trans	-66.3	-34.8	-178.2	-73.6	173	-179.3	175.1	0	112.6	T312 E313 I314 G322	T312-K316 VanDerWaalsContact O-CG 3.32Å; T312-K316 WeakPolarHBondContact O-CG 3.35Å; T312-K316 PolarHBondContact O-N 3.33Å; E313-K316 PolarHBondContact O-N 3.39Å; I314-K316 PolarHBondContact O-N 3.03Å; K316-G322 WeakPolarHBondContact O-CA 3.37Å
317	D	97.5	Very high	97.7	Very high	51 Å²	51	34.3 Å²	34.3	27%	0.273	19%	0.186	S	C	.	.	H	α-helix	trans	-70.6	-34	-179.2	-91	13.1	0	0	0	112.6	R292 V294 S296 L297 E313 I314 I315	R292-D317 PolarHBondContact NH1-O 2.84Å; R292-D317 PolarHBondContact NH2-O 3.39Å; R292-D317 VanDerWaalsContact NH2-O 3.08Å; V294-D317 HydrophobicContact CG1-CB 3.85Å; S296-D317 PolarHBondContact OG-OD2 2.91Å; L297-D317 HydrophobicContact CD2-CB 3.92Å; E313-D317 WeakPolarHBondContact O-CB 3.45Å; E313-D317 PolarHBondContact O-N 2.69Å; I314-D317 PolarHBondContact O-N 2.72Å; I315-D317 VanDerWaalsContact C-N 3.31Å; I315-D317 PolarHBondContact O-N 3.47Å
318	I	98.1	Very high	97.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-84.1	-35	-179.3	66.2	179.9	0	0	0	113.8	L297 I314 I315 L342 L386 T506 R507 L510	L297-I318 HydrophobicContact CD1-CG2 3.74Å; I314-I318 HydrophobicContact CG2-CG2 4.46Å; I314-I318 WeakPolarHBondContact O-CG1 3.34Å; I314-I318 WeakPolarHBondContact O-CG2 3.39Å; I314-I318 PolarHBondContact O-N 2.84Å; I314-I318 VanDerWaalsContact O-N 3.12Å; I315-I318 VanDerWaalsContact O-CG1 3.28Å; I315-I318 WeakPolarHBondContact O-CG1 3.38Å; I315-I318 PolarHBondContact O-N 3.25Å; I318-L342 WeakPolarHBondContact O-CD2 3.25Å; I318-L386 HydrophobicContact CD1-CD1 4.05Å; I318-L386 HydrophobicContact CD1-CD2 4.34Å; I318-T506 HydrophobicContact CG2-CG2 4.03Å; I318-R507 WeakPolarHBondContact O-CD 3.39Å; I318-R507 WeakPolarHBondContact O-CG 3.29Å; I318-R507 PolarHBondContact O-NH1 2.82Å; I318-L510 HydrophobicContact CD1-CD1 4.12Å
319	I	98.1	Very high	98	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	-79.4	164.9	-174.2	66.9	-174.2	0	0	0	112.4	R292 I315 E321 F324 A340 I349 R507	R292-I319 PolarHBondContact NH2-O 3.06Å; I315-I319 HydrophobicContact CG2-CD1 4.16Å; I315-I319 HydrophobicContact CG2-CG2 4.47Å; I315-I319 VanDerWaalsContact O-CG1 3.25Å; I315-I319 WeakPolarHBondContact O-CG1 3.36Å; I315-I319 WeakPolarHBondContact O-CG2 3.45Å; I315-I319 PolarHBondContact O-N 3.26Å; I319-E321 PolarHBondContact O-N 2.82Å; I319-F324 HydrophobicContact CD1-CB 3.67Å; I319-F324 HydrophobicContact CD1-CD2 4.48Å; I319-F324 HydrophobicContact CD1-CG 4.43Å; I319-A340 HydrophobicContact CB-CB 3.99Å; I319-A340 HydrophobicContact CD1-CB 3.88Å; I319-A340 HydrophobicContact CG2-CB 3.56Å; I319-I349 HydrophobicContact CG2-CD1 3.59Å; I319-R507 VanDerWaalsContact C-NH1 3.28Å; I319-R507 PolarHBondContact O-NH1 3.13Å
320	D	97.9	Very high	98.1	Very high	9 Å²	9	35.8 Å²	35.8	5%	0.048	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-62.3	123.7	176.6	-61.2	-13.3	0	0	0	110.7	C286 D288 G322 D323 R341 L342 G343 G344 R507	C286-D320 PolarHBondContact SG-OD2 2.96Å; D288-D320 HydrophobicContact CB-CB 4.46Å; D320-G322 PolarHBondContact O-N 3.03Å; D320-D323 PolarHBondContact O-N 3.44Å; D320-R341 HydrophobicContact CB-CB 4.23Å; D320-R341 VanDerWaalsContact CG-O 3.29Å; D320-R341 PolarHBondContact N-O 3.45Å; D320-R341 WeakPolarHBondContact OD2-CB 3.44Å; D320-L342 WeakPolarHBondContact OD1-CA 3.32Å; D320-L342 WeakPolarHBondContact OD2-CA 3.45Å; D320-L342 PolarHBondContact OD2-N 2.98Å; D320-G343 VanDerWaalsContact CG-N 3.35Å; D320-G343 PolarHBondContact OD1-N 3Å; D320-G343 PolarHBondContact OD2-N 3.48Å; D320-G344 PolarHBondContact OD2-N 3.24Å; D320-R507 IonicContact OD1-CZ 2.82Å; D320-R507 VanDerWaalsContact OD1-CZ 3.28Å; D320-R507 IonicContact OD1-NH1 3.62Å; D320-R507 PolarHBondContact OD1-NH1 3.34Å; D320-R507 IonicContact OD1-NH2 3.46Å; D320-R507 PolarHBondContact OD1-NH2 2.85Å
321	E	96	Very high	98.1	Very high	137 Å²	137	35.2 Å²	35.2	64%	0.64	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	57.3	14.4	172.3	-55.1	174.5	-165.4	0	0	114.7	D288 I319 D323	D288-E321 HydrophobicContact CB-CG 4.41Å; D288-E321 PolarHBondContact OD2-N 2.79Å; I319-E321 PolarHBondContact O-N 2.82Å; E321-D323 PolarHBondContact O-N 3.2Å
322	G	96.3	Very high	98.1	Very high	28 Å²	28	35.9 Å²	35.9	29%	0.289	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	63.7	16.1	-172.5	0	0	0	0	0	114.4	K316 D320 F324	K316-G322 WeakPolarHBondContact O-CA 3.37Å; D320-G322 PolarHBondContact O-N 3.03Å; G322-F324 PolarHBondContact O-N 2.79Å; G322-F324 VanDerWaalsContact O-N 3.09Å
323	D	97.2	Very high	98.1	Very high	46 Å²	46	39.2 Å²	39.2	25%	0.246	20%	0.197	C	C	.	.			trans	-80.3	91.9	-176	-172.4	19.5	0	0	0	112.4	K268 D320 E321	K268-D323 VanDerWaalsContact CE-OD1 3.23Å; K268-D323 WeakPolarHBondContact CE-OD1 3.33Å; K268-D323 WeakPolarHBondContact CE-OD2 3.14Å; K268-D323 IonicContact NZ-OD1 3.53Å; K268-D323 PolarHBondContact NZ-OD1 3.16Å; K268-D323 IonicContact NZ-OD2 2.79Å; K268-D323 PolarHBondContact NZ-OD2 3.04Å; K268-D323 VanDerWaalsContact NZ-OD2 3.15Å; D320-D323 PolarHBondContact O-N 3.44Å; E321-D323 PolarHBondContact O-N 3.2Å
324	F	98.4	Very high	98.1	Very high	27 Å²	27	34.9 Å²	34.9	12%	0.118	18%	0.177	C	C	.	.			trans	-108.4	116.5	178.4	-170.9	-132.5	0	0	0	112.5	I315 I319 G322 E326 I336 G338 A340 I349	I315-F324 HydrophobicContact CD1-CZ 4.47Å; I315-F324 HydrophobicContact CG2-CD1 4.2Å; I315-F324 HydrophobicContact CG2-CD2 3.98Å; I315-F324 HydrophobicContact CG2-CE1 4.38Å; I315-F324 HydrophobicContact CG2-CE2 4.17Å; I315-F324 HydrophobicContact CG2-CG 3.99Å; I315-F324 HydrophobicContact CG2-CZ 4.36Å; I319-F324 HydrophobicContact CD1-CB 3.67Å; I319-F324 HydrophobicContact CD1-CD2 4.48Å; I319-F324 HydrophobicContact CD1-CG 4.43Å; G322-F324 PolarHBondContact O-N 2.79Å; G322-F324 VanDerWaalsContact O-N 3.09Å; F324-E326 HydrophobicContact CD1-CB 3.8Å; F324-E326 HydrophobicContact CD1-CG 4.39Å; F324-E326 HydrophobicContact CE1-CB 3.55Å; F324-E326 HydrophobicContact CE1-CG 3.68Å; F324-E326 HydrophobicContact CZ-CB 4.31Å; F324-E326 HydrophobicContact CZ-CG 4.35Å; F324-E326 PolarHBondContact O-N 2.91Å; F324-I336 HydrophobicContact CE1-CG2 3.64Å; F324-I336 HydrophobicContact CZ-CG2 3.75Å; F324-G338 VanDerWaalsContact CE2-C 3.49Å; F324-G338 VanDerWaalsContact CE2-CA 3.46Å; F324-A340 HydrophobicContact CD2-CB 4.13Å; F324-I349 HydrophobicContact CD2-CD1 4.4Å; F324-I349 HydrophobicContact CE2-CB 4.11Å; F324-I349 HydrophobicContact CE2-CD1 4.14Å; F324-I349 HydrophobicContact CE2-CG1 4.46Å
325	F	98.5	Very high	98.1	Very high	8 Å²	8	34.9 Å²	34.9	4%	0.035	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	85.1	166.6	-160.6	-74.3	0	0	0	109.6	F210 F256 F269 F272 I327 G338 L339	F210-F325 HydrophobicContact CE1-CE1 4.23Å; F210-F325 HydrophobicContact CE1-CZ 4.49Å; F210-F325 AromaticContact CZ-CE1 3.92Å; F210-F325 HydrophobicContact CZ-CE1 3.92Å; F210-F325 HydrophobicContact CZ-CZ 4.08Å; F256-F325 HydrophobicContact CZ-CZ 4.27Å; F269-F325 HydrophobicContact CB-CD2 4.39Å; F269-F325 HydrophobicContact CB-CE2 3.83Å; F269-F325 HydrophobicContact CB-CZ 3.92Å; F269-F325 AromaticContact CD2-CD1 3.64Å; F269-F325 HydrophobicContact CD2-CD1 3.64Å; F269-F325 HydrophobicContact CD2-CD2 4.23Å; F269-F325 AromaticContact CD2-CE1 3.49Å; F269-F325 HydrophobicContact CD2-CE1 3.49Å; F269-F325 VanDerWaalsContact CD2-CE1 3.49Å; F269-F325 HydrophobicContact CD2-CE2 4.09Å; F269-F325 HydrophobicContact CD2-CG 4.02Å; F269-F325 AromaticContact CD2-CZ 3.72Å; F269-F325 HydrophobicContact CD2-CZ 3.72Å; F269-F325 HydrophobicContact CE2-CD1 4.05Å; F269-F325 AromaticContact CE2-CE1 3.99Å; F269-F325 HydrophobicContact CE2-CE1 3.99Å; F269-F325 HydrophobicContact CG-CE1 4.27Å; F269-F325 HydrophobicContact CG-CE2 4.39Å; F269-F325 HydrophobicContact CG-CZ 4.09Å; F272-F325 HydrophobicContact CE2-CB 3.92Å; F272-F325 HydrophobicContact CE2-CD2 4.48Å; F272-F325 HydrophobicContact CZ-CB 4.26Å; F325-I327 HydrophobicContact CD1-CD1 3.68Å; F325-I327 HydrophobicContact CD1-CG1 4.39Å; F325-I327 HydrophobicContact CE1-CD1 3.65Å; F325-G338 CarbonylContact O-C 3.57Å; F325-G338 WeakPolarHBondContact O-CA 3.45Å; F325-L339 PolarHBondContact N-O 3.23Å; F325-L339 PolarHBondContact O-N 2.8Å
326	E	98.7	Very high	98.1	Very high	45 Å²	45	35 Å²	35	21%	0.21	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	136.5	176.2	-166.7	172.5	177.3	0	0	111.6	R254 F324 P329 I336	R254-E326 PolarHBondContact NH1-O 3.44Å; F324-E326 HydrophobicContact CD1-CB 3.8Å; F324-E326 HydrophobicContact CD1-CG 4.39Å; F324-E326 HydrophobicContact CE1-CB 3.55Å; F324-E326 HydrophobicContact CE1-CG 3.68Å; F324-E326 HydrophobicContact CZ-CB 4.31Å; F324-E326 HydrophobicContact CZ-CG 4.35Å; F324-E326 PolarHBondContact O-N 2.91Å; E326-P329 HydrophobicContact CG-CB 3.98Å; E326-P329 WeakPolarHBondContact OE1-CA 3.43Å; E326-I336 HydrophobicContact CG-CG2 4.38Å
327	I	98.7	Very high	98.2	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	130.5	177.7	-62.5	-66	0	0	0	108.8	F208 F210 H253 F269 F325 I337 F372	F208-I327 HydrophobicContact CD1-CD1 4.18Å; F208-I327 HydrophobicContact CE1-CD1 4.06Å; F208-I327 HydrophobicContact CE1-CG1 4.34Å; F208-I327 HydrophobicContact CE1-CG2 4.26Å; F210-I327 HydrophobicContact CE1-CD1 4.38Å; F210-I327 HydrophobicContact CZ-CD1 4.4Å; H253-I327 HydrophobicContact CB-CG2 4.21Å; F269-I327 HydrophobicContact CE2-CD1 3.98Å; F325-I327 HydrophobicContact CD1-CD1 3.68Å; F325-I327 HydrophobicContact CD1-CG1 4.39Å; F325-I327 HydrophobicContact CE1-CD1 3.65Å; I327-I337 HydrophobicContact CB-CD1 4.06Å; I327-I337 HydrophobicContact CB-CG1 3.97Å; I327-I337 HydrophobicContact CG2-CD1 3.74Å; I327-I337 HydrophobicContact CG2-CG1 4.2Å; I327-I337 PolarHBondContact N-O 3.46Å; I327-I337 VanDerWaalsContact O-CG1 3.23Å; I327-I337 WeakPolarHBondContact O-CG1 3.44Å; I327-F372 HydrophobicContact CG1-CE2 4.34Å
328	M	98.7	Very high	98.2	Very high	12 Å²	12	27.5 Å²	27.5	6%	0.059	14%	0.143	C	C	.	.	S	Bend	trans	54.4	49.8	-176	-60.8	176.9	92.8	0	0	113.6	G250 H253 M330 Y331 K368	G250-M328 WeakPolarHBondContact O-CE 3.44Å; H253-M328 HydrophobicContact CB-CG 4.29Å; H253-M328 WeakPolarHBondContact O-CA 3.5Å; H253-M328 PolarHBondContact O-N 3.04Å; M328-M330 PolarHBondContact O-N 3.4Å; M328-M330 VanDerWaalsContact O-N 3.07Å; M328-Y331 HydrophobicContact CE-CD1 3.33Å; M328-Y331 HydrophobicContact CE-CE1 3.88Å; M328-Y331 HydrophobicContact CE-CG 3.9Å; M328-Y331 PolarHBondContact O-N 3.22Å; M328-Y331 VanDerWaalsContact O-O 3.05Å; M328-Y331 HydrophobicContact SD-CD1 4.36Å; M328-K368 HydrophobicContact CB-CD 4.07Å; M328-K368 PolarHBondContact O-NZ 3.32Å; M328-K368 HydrophobicContact SD-CB 4.43Å; M328-K368 HydrophobicContact SD-CD 4.39Å; M328-K368 HydrophobicContact SD-CG 3.95Å
329	P	98.2	Very high	98.3	Very high	37 Å²	37	27.5 Å²	27.5	24%	0.24	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-23.8	-176.2	25.1	-35.3	0	0	0	113.5	E326	E326-P329 HydrophobicContact CG-CB 3.98Å; E326-P329 WeakPolarHBondContact OE1-CA 3.43Å
330	M	98.1	Very high	98.3	Very high	95 Å²	95	27.5 Å²	27.5	47%	0.468	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-2.7	-175	-63.1	-59.5	-78.1	0	0	114.7	T246 T247 M328	T246-M330 CarbonylContact O-C 3.6Å; T246-M330 WeakPolarHBondContact O-CB 3.45Å; T247-M330 HydrophobicContact CG2-CB 3.89Å; M328-M330 PolarHBondContact O-N 3.4Å; M328-M330 VanDerWaalsContact O-N 3.07Å
331	Y	98.6	Very high	98.3	Very high	15 Å²	15	27.9 Å²	27.9	6%	0.059	14%	0.144	C	C	.	.	S	Bend	trans	-119.3	136.8	-179.8	179.6	-101.1	0	0	0	110.9	T246 I248 M328 K333 N364 K368	T246-Y331 WeakPolarHBondContact O-CB 3.31Å; T246-Y331 PolarHBondContact O-N 2.86Å; I248-Y331 WeakPolarHBondContact O-CE2 3.02Å; M328-Y331 HydrophobicContact CE-CD1 3.33Å; M328-Y331 HydrophobicContact CE-CE1 3.88Å; M328-Y331 HydrophobicContact CE-CG 3.9Å; M328-Y331 PolarHBondContact O-N 3.22Å; M328-Y331 VanDerWaalsContact O-O 3.05Å; M328-Y331 HydrophobicContact SD-CD1 4.36Å; Y331-K333 PolarHBondContact O-N 3.07Å; Y331-N364 HydrophobicContact CE1-CB 3.94Å; Y331-N364 HydrophobicContact CE2-CB 4.35Å; Y331-N364 WeakPolarHBondContact OH-CB 3.42Å; Y331-N364 PolarHBondContact OH-OD1 3.4Å; Y331-K368 HydrophobicContact CD1-CD 4.36Å; Y331-K368 HydrophobicContact CE1-CB 4.5Å; Y331-K368 WeakPolarHBondContact O-CD 3.46Å; Y331-K368 PolarHBondContact O-NZ 3.47Å
332	A	98.3	Very high	98.4	Very high	15 Å²	15	21.5 Å²	21.5	12%	0.124	11%	0.114	C	C	.	.	S	Bend	trans	45.8	58.8	-177.9	0	0	0	0	0	112.3	N334 I335 N364 A365 K368	A332-N334 WeakPolarHBondContact CA-OD1 3.49Å; A332-N334 PolarHBondContact O-N 3.15Å; A332-N334 VanDerWaalsContact O-N 3.07Å; A332-N334 PolarHBondContact O-OD1 3.2Å; A332-I335 PolarHBondContact O-N 2.83Å; A332-I335 VanDerWaalsContact O-N 3.08Å; A332-N364 HydrophobicContact CB-CB 3.83Å; A332-A365 HydrophobicContact CB-CB 4.23Å; A332-K368 HydrophobicContact CB-CB 4.48Å; A332-K368 HydrophobicContact CB-CD 3.9Å; A332-K368 PolarHBondContact O-NZ 3.4Å
333	K	98.6	Very high	98.4	Very high	92 Å²	92	21.1 Å²	21.1	40%	0.4	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-8.9	-170.7	-57.9	-177.7	175.9	-177.2	0	114.5	Y331 Q353 V356	Y331-K333 PolarHBondContact O-N 3.07Å; K333-Q353 WeakPolarHBondContact O-CB 3.24Å; K333-Q353 VanDerWaalsContact O-CG 3.32Å; K333-Q353 WeakPolarHBondContact O-CG 3.47Å; K333-V356 HydrophobicContact CB-CB 4.29Å; K333-V356 HydrophobicContact CB-CG1 4.02Å; K333-V356 HydrophobicContact CB-CG2 3.86Å
334	N	98.6	Very high	98.3	Very high	5 Å²	5	19 Å²	19	3%	0.027	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-12.9	171.2	48.9	-39.8	0	0	0	113.6	A332 Q353 V356 C360 D362	A332-N334 WeakPolarHBondContact CA-OD1 3.49Å; A332-N334 PolarHBondContact O-N 3.15Å; A332-N334 VanDerWaalsContact O-N 3.07Å; A332-N334 PolarHBondContact O-OD1 3.2Å; N334-Q353 PolarHBondContact O-N 3.33Å; N334-V356 HydrophobicContact CB-CB 4.32Å; N334-V356 HydrophobicContact CB-CG1 4.1Å; N334-V356 WeakPolarHBondContact CB-O 3.38Å; N334-C360 PolarHBondContact ND2-O 3.01Å; N334-D362 VanDerWaalsContact ND2-CG 3.28Å; N334-D362 PolarHBondContact ND2-OD2 2.82Å
335	I	98.8	Very high	98.3	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	134.3	168	-159.8	172.2	0	0	0	110.1	A332 V350 A351 L361 A365 K368 L410	A332-I335 PolarHBondContact O-N 2.83Å; A332-I335 VanDerWaalsContact O-N 3.08Å; I335-V350 HydrophobicContact CD1-CG1 3.8Å; I335-V350 HydrophobicContact CG1-CG1 4.22Å; I335-A351 CarbonylContact C-O 3.54Å; I335-A351 WeakPolarHBondContact CA-O 3.42Å; I335-A351 WeakPolarHBondContact CG1-O 3.16Å; I335-L361 HydrophobicContact CD1-CD2 4.03Å; I335-A365 HydrophobicContact CB-CB 4.03Å; I335-A365 HydrophobicContact CG2-CB 3.58Å; I335-K368 HydrophobicContact CG2-CB 4.44Å; I335-K368 HydrophobicContact CG2-CD 3.8Å; I335-K368 HydrophobicContact CG2-CG 4.21Å; I335-K368 VanDerWaalsContact O-CE 3.29Å; I335-K368 WeakPolarHBondContact O-CE 3.37Å; I335-K368 PolarHBondContact O-NZ 3.01Å; I335-L410 HydrophobicContact CD1-CD2 4.4Å
336	I	98.9	Very high	98.3	Very high	3 Å²	3	20.2 Å²	20.2	2%	0.015	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	133.6	175.8	-60.3	151.9	0	0	0	107.5	M311 T312 I315 F324 E326 V350 A351 Q353	M311-I336 HydrophobicContact CB-CD1 3.78Å; M311-I336 HydrophobicContact CG-CD1 4.16Å; T312-I336 HydrophobicContact CG2-CD1 3.62Å; T312-I336 HydrophobicContact CG2-CG1 4.25Å; I315-I336 HydrophobicContact CD1-CB 4.33Å; I315-I336 HydrophobicContact CD1-CD1 4.2Å; I315-I336 HydrophobicContact CD1-CG2 3.76Å; F324-I336 HydrophobicContact CE1-CG2 3.64Å; F324-I336 HydrophobicContact CZ-CG2 3.75Å; E326-I336 HydrophobicContact CG-CG2 4.38Å; I336-V350 WeakPolarHBondContact O-CA 3.49Å; I336-A351 HydrophobicContact CB-CB 4.36Å; I336-A351 PolarHBondContact N-O 3.38Å; I336-A351 PolarHBondContact O-N 3.39Å; I336-Q353 HydrophobicContact CD1-CB 3.9Å; I336-Q353 HydrophobicContact CD1-CG 4.37Å; I336-Q353 HydrophobicContact CG1-CB 4.11Å
337	I	98.9	Very high	98.3	Very high	2 Å²	2	18 Å²	18	1%	0.01	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	150.4	169.4	59.5	169.1	0	0	0	109.3	I327 I349 V350 K368 F372	I327-I337 HydrophobicContact CB-CD1 4.06Å; I327-I337 HydrophobicContact CB-CG1 3.97Å; I327-I337 HydrophobicContact CG2-CD1 3.74Å; I327-I337 HydrophobicContact CG2-CG1 4.2Å; I327-I337 PolarHBondContact N-O 3.46Å; I327-I337 VanDerWaalsContact O-CG1 3.23Å; I327-I337 WeakPolarHBondContact O-CG1 3.44Å; I337-I349 VanDerWaalsContact CA-O 3.23Å; I337-I349 WeakPolarHBondContact CA-O 3.43Å; I337-V350 HydrophobicContact CG2-CG1 4.22Å; I337-V350 HydrophobicContact CG2-CG2 4.18Å; I337-K368 HydrophobicContact CD1-CD 4.34Å; I337-K368 HydrophobicContact CD1-CG 3.54Å; I337-K368 HydrophobicContact CG1-CD 4.4Å; I337-K368 VanDerWaalsContact CG1-CE 3.49Å; I337-K368 HydrophobicContact CG1-CG 4.06Å; I337-F372 HydrophobicContact CB-CB 4.24Å; I337-F372 HydrophobicContact CB-CD1 3.73Å; I337-F372 HydrophobicContact CB-CD2 4.24Å; I337-F372 HydrophobicContact CB-CE1 4.11Å; I337-F372 HydrophobicContact CB-CG 3.79Å; I337-F372 HydrophobicContact CD1-CB 3.55Å; I337-F372 HydrophobicContact CD1-CD2 3.94Å; I337-F372 HydrophobicContact CD1-CG 3.77Å; I337-F372 HydrophobicContact CG1-CB 4.45Å; I337-F372 HydrophobicContact CG1-CD2 4.43Å; I337-F372 HydrophobicContact CG1-CG 4.27Å; I337-F372 HydrophobicContact CG2-CB 4.21Å; I337-F372 HydrophobicContact CG2-CD1 3.9Å; I337-F372 HydrophobicContact CG2-CG 4.14Å
338	G	98.8	Very high	98.3	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.3	173.2	174.9	0	0	0	0	0	113.3	F324 F325 I349 F372	F324-G338 VanDerWaalsContact CE2-C 3.49Å; F324-G338 VanDerWaalsContact CE2-CA 3.46Å; F325-G338 CarbonylContact O-C 3.57Å; F325-G338 WeakPolarHBondContact O-CA 3.45Å; G338-I349 PolarHBondContact N-O 3.22Å; G338-I349 PolarHBondContact O-N 3.46Å; G338-F372 WeakPolarHBondContact O-CZ 3.39Å
339	L	98.8	Very high	98.3	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	139.4	178.5	-61.9	172.6	0	0	0	109.8	F269 F272 L273 F325 T346 V347 F372 I381	F269-L339 HydrophobicContact CD2-CD1 4.4Å; F269-L339 HydrophobicContact CE2-CD1 3.67Å; F269-L339 HydrophobicContact CZ-CD1 4.29Å; F272-L339 HydrophobicContact CB-CB 4.17Å; F272-L339 HydrophobicContact CB-CD1 3.75Å; F272-L339 HydrophobicContact CD1-CB 3.95Å; F272-L339 HydrophobicContact CD2-CB 4.49Å; F272-L339 HydrophobicContact CE1-CB 4.46Å; F272-L339 HydrophobicContact CG-CB 3.96Å; F272-L339 HydrophobicContact CG-CD1 4.32Å; L273-L339 HydrophobicContact CD2-CD1 3.68Å; F325-L339 PolarHBondContact N-O 3.23Å; F325-L339 PolarHBondContact O-N 2.8Å; L339-T346 HydrophobicContact CD2-CG2 4.2Å; L339-V347 WeakPolarHBondContact CA-O 3.19Å; L339-F372 HydrophobicContact CD2-CE2 4.21Å; L339-F372 HydrophobicContact CD2-CZ 3.98Å; L339-F372 HydrophobicContact CG-CE2 4.38Å; L339-F372 HydrophobicContact CG-CZ 4.43Å; L339-I381 HydrophobicContact CD2-CD1 4.11Å; L339-I381 HydrophobicContact CD2-CG2 4.28Å
340	A	98.6	Very high	98.4	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	-176.8	174.9	0	0	0	0	0	109.9	I319 F324 T346 V347 I349	I319-A340 HydrophobicContact CB-CB 3.99Å; I319-A340 HydrophobicContact CD1-CB 3.88Å; I319-A340 HydrophobicContact CG2-CB 3.56Å; F324-A340 HydrophobicContact CD2-CB 4.13Å; A340-T346 CarbonylContact O-C 3.56Å; A340-T346 WeakPolarHBondContact O-CA 3.24Å; A340-V347 HydrophobicContact CB-CG2 4.07Å; A340-V347 PolarHBondContact N-O 3Å; A340-V347 PolarHBondContact O-N 2.7Å; A340-I349 HydrophobicContact CB-CD1 3.82Å; A340-I349 HydrophobicContact CB-CG1 4.5Å
341	R	98.4	Very high	98.4	Very high	18 Å²	18	11.2 Å²	11.2	7%	0.068	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	148	165.8	-64.7	-173	-178.6	85.5	3.2	112.1	T271 F272 D320 R345	T271-R341 PolarHBondContact O-NH2 2.8Å; T271-R341 PolarHBondContact OG1-NH2 2.89Å; F272-R341 HydrophobicContact CD1-CG 4.35Å; F272-R341 HydrophobicContact CE1-CG 4.11Å; D320-R341 HydrophobicContact CB-CB 4.23Å; D320-R341 VanDerWaalsContact CG-O 3.29Å; D320-R341 PolarHBondContact N-O 3.45Å; D320-R341 WeakPolarHBondContact OD2-CB 3.44Å; R341-R345 CarbonylContact C-O 3.59Å; R341-R345 WeakPolarHBondContact CA-O 3.39Å
342	L	97.6	Very high	98.4	Very high	2 Å²	2	10.5 Å²	10.5	1%	0.01	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	117	168.8	-80	168.9	0	0	0	108.2	I318 D320 G344 R345 V347 I384 L510 L514	I318-L342 WeakPolarHBondContact O-CD2 3.25Å; D320-L342 WeakPolarHBondContact OD1-CA 3.32Å; D320-L342 WeakPolarHBondContact OD2-CA 3.45Å; D320-L342 PolarHBondContact OD2-N 2.98Å; L342-G344 PolarHBondContact O-N 2.96Å; L342-R345 PolarHBondContact N-O 3.28Å; L342-R345 WeakPolarHBondContact O-CB 3.42Å; L342-R345 PolarHBondContact O-N 3.44Å; L342-R345 VanDerWaalsContact O-N 3.13Å; L342-V347 HydrophobicContact CB-CG1 4.38Å; L342-V347 HydrophobicContact CD1-CG1 4.31Å; L342-V347 HydrophobicContact CD1-CG2 4.11Å; L342-V347 HydrophobicContact CG-CG2 4.27Å; L342-I384 HydrophobicContact CD1-CD1 4.48Å; L342-I384 HydrophobicContact CD1-CG1 4.17Å; L342-L510 HydrophobicContact CD1-CB 4.1Å; L342-L510 HydrophobicContact CD1-CD1 4.05Å; L342-L514 HydrophobicContact CB-CD1 3.75Å; L342-L514 HydrophobicContact CD1-CD1 3.82Å; L342-L514 HydrophobicContact CG-CD1 4.45Å
343	G	96.1	Very high	98.4	Very high	21 Å²	21	10.4 Å²	10.4	22%	0.216	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	37.5	-174	0	0	0	0	0	112.7	D320 R345	D320-G343 VanDerWaalsContact CG-N 3.35Å; D320-G343 PolarHBondContact OD1-N 3Å; D320-G343 PolarHBondContact OD2-N 3.48Å; G343-R345 VanDerWaalsContact C-N 3.27Å; G343-R345 PolarHBondContact O-N 2.97Å
344	G	96.8	Very high	98.4	Very high	1 Å²	1	6.2 Å²	6.2	1%	0.01	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	-4.5	-180	0	0	0	0	0	115.2	I283 Q284 D320 L342	I283-G344 WeakPolarHBondContact CA-O 3.3Å; Q284-G344 PolarHBondContact N-O 3.4Å; Q284-G344 VanDerWaalsContact O-CA 3.3Å; Q284-G344 WeakPolarHBondContact O-CA 3.36Å; D320-G344 PolarHBondContact OD2-N 3.24Å; L342-G344 PolarHBondContact O-N 2.96Å
345	R	97.5	Very high	98.3	Very high	57 Å²	57	11.4 Å²	11.4	22%	0.215	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	131.4	-176.8	-59.5	171.5	177.6	-84.1	9.4	110.7	I283 R341 L342 G343 V347 E518	I283-R345 HydrophobicContact CG1-CG 4.32Å; R341-R345 CarbonylContact C-O 3.59Å; R341-R345 WeakPolarHBondContact CA-O 3.39Å; L342-R345 PolarHBondContact N-O 3.28Å; L342-R345 WeakPolarHBondContact O-CB 3.42Å; L342-R345 PolarHBondContact O-N 3.44Å; L342-R345 VanDerWaalsContact O-N 3.13Å; G343-R345 VanDerWaalsContact C-N 3.27Å; G343-R345 PolarHBondContact O-N 2.97Å; R345-V347 PolarHBondContact O-N 3.37Å; R345-E518 IonicContact CZ-OE1 3.39Å; R345-E518 IonicContact CZ-OE2 3.27Å; R345-E518 IonicContact NH1-OE1 3.72Å; R345-E518 PolarHBondContact NH1-OE1 2.74Å; R345-E518 IonicContact NH1-OE2 3Å; R345-E518 PolarHBondContact NH1-OE2 2.85Å; R345-E518 VanDerWaalsContact NH1-OE2 3.16Å; R345-E518 IonicContact NH2-OE1 3.36Å; R345-E518 IonicContact NH2-OE2 2.82Å; R345-E518 PolarHBondContact NH2-OE2 3.15Å
346	T	98.5	Very high	98.2	Very high	3 Å²	3	13.6 Å²	13.6	2%	0.018	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	133.1	173.7	-59	0	0	0	0	111.1	F272 P281 L339 A340 I381 P382	F272-T346 HydrophobicContact CB-CG2 3.96Å; F272-T346 HydrophobicContact CD1-CG2 4.18Å; F272-T346 WeakPolarHBondContact O-CB 3.29Å; F272-T346 VanDerWaalsContact O-CG2 3.3Å; F272-T346 WeakPolarHBondContact O-CG2 3.42Å; F272-T346 PolarHBondContact O-OG1 3.12Å; P281-T346 HydrophobicContact CB-CG2 4.44Å; L339-T346 HydrophobicContact CD2-CG2 4.2Å; A340-T346 CarbonylContact O-C 3.56Å; A340-T346 WeakPolarHBondContact O-CA 3.24Å; T346-I381 HydrophobicContact CG2-CD1 4.44Å; T346-I381 HydrophobicContact CG2-CG1 4.35Å; T346-I381 HydrophobicContact CG2-CG2 4.04Å; T346-P382 WeakPolarHBondContact O-CD 3.4Å
347	V	98.8	Very high	98.1	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	146.6	171.4	-62.8	0	0	0	0	110.8	L339 A340 L342 R345 I349 P382 I384 L514	L339-V347 WeakPolarHBondContact CA-O 3.19Å; A340-V347 HydrophobicContact CB-CG2 4.07Å; A340-V347 PolarHBondContact N-O 3Å; A340-V347 PolarHBondContact O-N 2.7Å; L342-V347 HydrophobicContact CB-CG1 4.38Å; L342-V347 HydrophobicContact CD1-CG1 4.31Å; L342-V347 HydrophobicContact CD1-CG2 4.11Å; L342-V347 HydrophobicContact CG-CG2 4.27Å; R345-V347 PolarHBondContact O-N 3.37Å; V347-I349 HydrophobicContact CG2-CG1 4.29Å; V347-P382 HydrophobicContact CG1-CB 4.35Å; V347-I384 HydrophobicContact CB-CG1 4.04Å; V347-I384 HydrophobicContact CG1-CG1 4.29Å; V347-I384 HydrophobicContact CG2-CG1 4.29Å; V347-L514 HydrophobicContact CG1-CD1 3.71Å; V347-L514 HydrophobicContact CG1-CD2 4.16Å
348	G	98.9	Very high	97.9	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	123.2	168.4	0	0	0	0	0	109.6	I381 P382 L383 I384	G348-I381 VanDerWaalsContact N-CG2 3.3Å; G348-P382 PolarHBondContact N-O 2.53Å; G348-L383 CarbonylContact O-C 3.57Å; G348-L383 WeakPolarHBondContact O-CA 3.34Å; G348-I384 PolarHBondContact O-N 2.99Å
349	I	98.9	Very high	97.8	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.005	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	135.3	178.6	-60.6	-178.1	0	0	0	109	I315 I319 F324 I337 G338 A340 V347 A351 F372 I384	I315-I349 HydrophobicContact CD1-CG2 3.9Å; I315-I349 HydrophobicContact CG1-CG2 4.05Å; I315-I349 HydrophobicContact CG2-CD1 3.7Å; I319-I349 HydrophobicContact CG2-CD1 3.59Å; F324-I349 HydrophobicContact CD2-CD1 4.4Å; F324-I349 HydrophobicContact CE2-CB 4.11Å; F324-I349 HydrophobicContact CE2-CD1 4.14Å; F324-I349 HydrophobicContact CE2-CG1 4.46Å; I337-I349 VanDerWaalsContact CA-O 3.23Å; I337-I349 WeakPolarHBondContact CA-O 3.43Å; G338-I349 PolarHBondContact N-O 3.22Å; G338-I349 PolarHBondContact O-N 3.46Å; A340-I349 HydrophobicContact CB-CD1 3.82Å; A340-I349 HydrophobicContact CB-CG1 4.5Å; V347-I349 HydrophobicContact CG2-CG1 4.29Å; I349-A351 HydrophobicContact CG2-CB 4.35Å; I349-F372 WeakPolarHBondContact O-CE1 3.39Å; I349-I384 CarbonylContact C-O 3.56Å; I349-I384 WeakPolarHBondContact CA-O 3.44Å; I349-I384 HydrophobicContact CG1-CB 4.41Å
350	V	98.9	Very high	97.8	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	116.3	169.5	-175.7	0	0	0	0	108.3	I335 I336 I337 F372 V373 L383 I384 T385 L386 Y414 M437	I335-V350 HydrophobicContact CD1-CG1 3.8Å; I335-V350 HydrophobicContact CG1-CG1 4.22Å; I336-V350 WeakPolarHBondContact O-CA 3.49Å; I337-V350 HydrophobicContact CG2-CG1 4.22Å; I337-V350 HydrophobicContact CG2-CG2 4.18Å; V350-F372 HydrophobicContact CG2-CD1 3.8Å; V350-F372 HydrophobicContact CG2-CE1 4.11Å; V350-V373 HydrophobicContact CG2-CG2 3.94Å; V350-L383 HydrophobicContact CG2-CD2 4.33Å; V350-I384 PolarHBondContact N-O 3.05Å; V350-T385 CarbonylContact O-C 3.52Å; V350-T385 VanDerWaalsContact O-CA 3.24Å; V350-T385 WeakPolarHBondContact O-CA 3.21Å; V350-L386 PolarHBondContact O-N 2.8Å; V350-Y414 WeakPolarHBondContact CB-OH 3.27Å; V350-Y414 VanDerWaalsContact CG1-OH 3.28Å; V350-Y414 WeakPolarHBondContact CG1-OH 3.43Å; V350-M437 HydrophobicContact CG1-CE 4.25Å
351	A	98.9	Very high	97.8	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	142.1	-172.9	0	0	0	0	0	112.4	M311 I315 I335 I336 I349 L386	M311-A351 HydrophobicContact CG-CB 3.63Å; I315-A351 HydrophobicContact CD1-CB 3.94Å; I335-A351 CarbonylContact C-O 3.54Å; I335-A351 WeakPolarHBondContact CA-O 3.42Å; I335-A351 WeakPolarHBondContact CG1-O 3.16Å; I336-A351 HydrophobicContact CB-CB 4.36Å; I336-A351 PolarHBondContact N-O 3.38Å; I336-A351 PolarHBondContact O-N 3.39Å; I349-A351 HydrophobicContact CG2-CB 4.35Å; A351-L386 VanDerWaalsContact CA-O 3.31Å; A351-L386 WeakPolarHBondContact CA-O 3.42Å; A351-L386 HydrophobicContact CB-CB 3.78Å; A351-L386 HydrophobicContact CB-CD1 4.29Å; A351-L386 HydrophobicContact CB-CG 4.34Å
352	N	98.8	Very high	97.8	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	145.4	171.1	-56.3	107.1	0	0	0	110.3	M311 P354 G359 L386 V387 D388 M437	M311-N352 WeakPolarHBondContact CB-O 3.11Å; M311-N352 WeakPolarHBondContact CG-O 3.48Å; N352-P354 WeakPolarHBondContact O-CD 3.33Å; N352-G359 PolarHBondContact ND2-O 3.18Å; N352-L386 PolarHBondContact N-O 3.49Å; N352-L386 VanDerWaalsContact N-O 3.16Å; N352-V387 WeakPolarHBondContact OD1-CA 3.34Å; N352-D388 WeakPolarHBondContact CB-O 3.4Å; N352-D388 PolarHBondContact OD1-N 3.25Å; N352-M437 WeakPolarHBondContact OD1-CE 3.21Å
353	Q	98.5	Very high	97.8	Very high	13 Å²	13	20.4 Å²	20.4	6%	0.061	12%	0.119	C	C	.	.			trans	-111.8	99.6	178.4	174.5	53.5	-82.5	0	0	110.9	Y309 D310 K333 N334 I336 K355 V356 G359	Y309-Q353 PolarHBondContact O-OE1 3.29Å; D310-Q353 PolarHBondContact OD1-NE2 3.1Å; K333-Q353 WeakPolarHBondContact O-CB 3.24Å; K333-Q353 VanDerWaalsContact O-CG 3.32Å; K333-Q353 WeakPolarHBondContact O-CG 3.47Å; N334-Q353 PolarHBondContact O-N 3.33Å; I336-Q353 HydrophobicContact CD1-CB 3.9Å; I336-Q353 HydrophobicContact CD1-CG 4.37Å; I336-Q353 HydrophobicContact CG1-CB 4.11Å; Q353-K355 HydrophobicContact CG-CB 4.31Å; Q353-K355 PolarHBondContact O-N 2.89Å; Q353-K355 VanDerWaalsContact OE1-N 3.09Å; Q353-V356 HydrophobicContact CG-CB 4.32Å; Q353-V356 HydrophobicContact CG-CG2 4.07Å; Q353-V356 PolarHBondContact O-N 2.82Å; Q353-G359 WeakPolarHBondContact O-CA 3.25Å; Q353-G359 PolarHBondContact O-N 3.1Å
354	P	97.8	Very high	97.9	Very high	5 Å²	5	22.5 Å²	22.5	3%	0.032	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-28.4	-179.1	-27.2	37.4	0	0	0	114.4	A308 Y309 N352 V356 A358 D388	A308-P354 HydrophobicContact CB-CB 4.22Å; Y309-P354 HydrophobicContact CD1-CG 4.37Å; Y309-P354 HydrophobicContact CE1-CB 4.42Å; Y309-P354 HydrophobicContact CE1-CG 3.86Å; Y309-P354 HydrophobicContact CE2-CG 4.25Å; N352-P354 WeakPolarHBondContact O-CD 3.33Å; P354-V356 PolarHBondContact O-N 3.38Å; P354-A358 WeakPolarHBondContact O-CA 3.49Å; P354-D388 HydrophobicContact CG-CB 4.06Å; P354-D388 WeakPolarHBondContact CG-OD2 3.49Å
355	K	97.1	Very high	98	Very high	114 Å²	114	22.5 Å²	22.5	50%	0.496	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-16.2	176.6	-77.3	-178.7	179.3	176.3	0	113.9	A308 D310 Q353	A308-K355 HydrophobicContact CB-CG 4.27Å; D310-K355 HydrophobicContact CB-CD 4.09Å; D310-K355 VanDerWaalsContact CB-NZ 3.31Å; D310-K355 IonicContact OD2-NZ 3.75Å; D310-K355 PolarHBondContact OD2-NZ 3.03Å; Q353-K355 HydrophobicContact CG-CB 4.31Å; Q353-K355 PolarHBondContact O-N 2.89Å; Q353-K355 VanDerWaalsContact OE1-N 3.09Å
356	V	97.5	Very high	98.1	Very high	46 Å²	46	19.8 Å²	19.8	28%	0.279	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.6	120.8	-178	-176.7	0	0	0	0	109.9	K333 N334 Q353 P354 A358 G359	K333-V356 HydrophobicContact CB-CB 4.29Å; K333-V356 HydrophobicContact CB-CG1 4.02Å; K333-V356 HydrophobicContact CB-CG2 3.86Å; N334-V356 HydrophobicContact CB-CB 4.32Å; N334-V356 HydrophobicContact CB-CG1 4.1Å; N334-V356 WeakPolarHBondContact CB-O 3.38Å; Q353-V356 HydrophobicContact CG-CB 4.32Å; Q353-V356 HydrophobicContact CG-CG2 4.07Å; Q353-V356 PolarHBondContact O-N 2.82Å; P354-V356 PolarHBondContact O-N 3.38Å; V356-A358 PolarHBondContact O-N 3.03Å; V356-A358 VanDerWaalsContact O-N 3.07Å; V356-G359 PolarHBondContact O-N 3.36Å
357	S	95.7	Very high	98.1	Very high	58 Å²	58	22.1 Å²	22.1	41%	0.406	13%	0.127	S	C	.	.	G	3₁₀ helix	trans	50.6	32.9	-178.8	-55.1	0	0	0	0	113.1	G359 C360	S357-G359 PolarHBondContact O-N 3.11Å; S357-C360 VanDerWaalsContact O-CB 3.25Å; S357-C360 WeakPolarHBondContact O-CB 3.33Å; S357-C360 PolarHBondContact O-N 3.26Å; S357-C360 PolarHBondContact O-SG 2.61Å
358	A	95.3	Very high	98.1	Very high	54 Å²	54	22.4 Å²	22.4	45%	0.446	13%	0.128	S	C	.	.	G	3₁₀ helix	trans	54	21.6	-175	0	0	0	0	0	115	P354 V356 C360 P390	P354-A358 WeakPolarHBondContact O-CA 3.49Å; V356-A358 PolarHBondContact O-N 3.03Å; V356-A358 VanDerWaalsContact O-N 3.07Å; A358-C360 VanDerWaalsContact C-N 3.31Å; A358-P390 HydrophobicContact CB-CG 4.37Å; A358-P390 WeakPolarHBondContact O-CD 3.17Å; A358-P390 WeakPolarHBondContact O-CG 3.42Å
359	G	97.4	Very high	98.1	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	79.2	6.3	-175.2	0	0	0	0	0	115	N352 Q353 V356 S357 V389	N352-G359 PolarHBondContact ND2-O 3.18Å; Q353-G359 WeakPolarHBondContact O-CA 3.25Å; Q353-G359 PolarHBondContact O-N 3.1Å; V356-G359 PolarHBondContact O-N 3.36Å; S357-G359 PolarHBondContact O-N 3.11Å; G359-V389 WeakPolarHBondContact O-CG2 3.23Å
360	C	97.7	Very high	98.1	Very high	16 Å²	16	22.6 Å²	22.6	11%	0.108	13%	0.129	C	C	.	.			trans	-56.2	144.1	178.1	-72.9	0	0	0	0	112.3	N334 S357 A358 P390 G391 L393	N334-C360 PolarHBondContact ND2-O 3.01Å; S357-C360 VanDerWaalsContact O-CB 3.25Å; S357-C360 WeakPolarHBondContact O-CB 3.33Å; S357-C360 PolarHBondContact O-N 3.26Å; S357-C360 PolarHBondContact O-SG 2.61Å; A358-C360 VanDerWaalsContact C-N 3.31Å; C360-P390 VanDerWaalsContact SG-CG 3.58Å; C360-G391 WeakPolarHBondContact CA-O 3.38Å; C360-L393 HydrophobicContact CB-CB 4.16Å; C360-L393 HydrophobicContact CB-CD1 4.45Å
361	L	98.6	Very high	98.1	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-80.6	135.1	168.1	-68.5	173.2	0	0	0	110.8	I335 A365 V389 G391 F392 L393 L410 A433 V436 M437	I335-L361 HydrophobicContact CD1-CD2 4.03Å; L361-A365 HydrophobicContact CD2-CB 4.46Å; L361-V389 HydrophobicContact CD1-CG2 4.49Å; L361-V389 HydrophobicContact CG-CG2 4.12Å; L361-G391 PolarHBondContact N-O 3.46Å; L361-F392 HydrophobicContact CB-CD1 3.69Å; L361-F392 HydrophobicContact CB-CE1 3.71Å; L361-F392 HydrophobicContact CB-CG 4.32Å; L361-F392 HydrophobicContact CB-CZ 4.35Å; L361-F392 HydrophobicContact CD1-CE1 4.22Å; L361-F392 HydrophobicContact CD1-CZ 4.08Å; L361-F392 CarbonylContact O-C 3.51Å; L361-F392 WeakPolarHBondContact O-CA 3.32Å; L361-F392 WeakPolarHBondContact O-CD1 3.48Å; L361-L393 PolarHBondContact O-N 3.42Å; L361-L410 HydrophobicContact CD1-CD2 4.36Å; L361-L410 HydrophobicContact CD2-CD2 4.13Å; L361-A433 HydrophobicContact CD1-CB 4.28Å; L361-V436 HydrophobicContact CD1-CB 4.21Å; L361-V436 HydrophobicContact CD1-CG1 3.94Å; L361-M437 HydrophobicContact CD1-CG 4.29Å; L361-M437 HydrophobicContact CD1-SD 4.03Å; L361-M437 HydrophobicContact CD2-SD 4.17Å
362	D	98.3	Very high	98.1	Very high	17 Å²	17	28 Å²	28	9%	0.091	15%	0.15	C	C	.	.			trans	-128.8	-176.6	172.6	66.8	32.2	0	0	0	110.7	N334 N364 A365 S366 L393	N334-D362 VanDerWaalsContact ND2-CG 3.28Å; N334-D362 PolarHBondContact ND2-OD2 2.82Å; D362-N364 VanDerWaalsContact C-N 3.34Å; D362-N364 PolarHBondContact O-N 2.88Å; D362-N364 WeakPolarHBondContact OD1-CA 3.39Å; D362-N364 PolarHBondContact OD1-N 3.11Å; D362-A365 WeakPolarHBondContact OD1-CB 3.31Å; D362-A365 PolarHBondContact OD1-N 3.15Å; D362-S366 VanDerWaalsContact O-CB 3.25Å; D362-S366 WeakPolarHBondContact O-CB 3.43Å; D362-S366 PolarHBondContact O-N 3.18Å; D362-S366 PolarHBondContact O-OG 3.14Å; D362-L393 HydrophobicContact CB-CB 4.08Å; D362-L393 HydrophobicContact CB-CD2 4.2Å
363	I	98.5	Very high	98.1	Very high	21 Å²	21	28 Å²	28	11%	0.108	15%	0.15	C	C	.	.	H	α-helix	trans	-52.8	-50.7	177.7	-72.3	163.1	0	0	0	111.6	S366 I367 I403 H406	I363-S366 PolarHBondContact O-N 3.19Å; I363-I367 HydrophobicContact CG2-CD1 3.78Å; I363-I367 VanDerWaalsContact O-CG1 3.27Å; I363-I367 WeakPolarHBondContact O-CG1 3.46Å; I363-I367 PolarHBondContact O-N 2.72Å; I363-I403 HydrophobicContact CG1-CB 4.04Å; I363-I403 HydrophobicContact CG1-CD1 3.84Å; I363-H406 HydrophobicContact CB-CB 4.27Å; I363-H406 HydrophobicContact CG1-CB 4.14Å; I363-H406 HydrophobicContact CG2-CB 3.88Å
364	N	98.6	Very high	98.1	Very high	66 Å²	66	31.8 Å²	31.8	35%	0.353	16%	0.164	S	C	.	.	H	α-helix	trans	-72.5	-42.1	-171.5	-67.5	-22.6	0	0	0	111	Y331 A332 D362 S366 I367 K368	Y331-N364 HydrophobicContact CE1-CB 3.94Å; Y331-N364 HydrophobicContact CE2-CB 4.35Å; Y331-N364 WeakPolarHBondContact OH-CB 3.42Å; Y331-N364 PolarHBondContact OH-OD1 3.4Å; A332-N364 HydrophobicContact CB-CB 3.83Å; D362-N364 VanDerWaalsContact C-N 3.34Å; D362-N364 PolarHBondContact O-N 2.88Å; D362-N364 WeakPolarHBondContact OD1-CA 3.39Å; D362-N364 PolarHBondContact OD1-N 3.11Å; N364-S366 VanDerWaalsContact C-N 3.31Å; N364-S366 PolarHBondContact O-N 3.39Å; N364-I367 PolarHBondContact O-N 3.25Å; N364-K368 VanDerWaalsContact O-CB 3.24Å; N364-K368 WeakPolarHBondContact O-CB 3.48Å; N364-K368 PolarHBondContact O-N 2.93Å
365	A	98.7	Very high	98.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-61.7	-40	174.1	0	0	0	0	0	111.6	A332 I335 L361 D362 K368 G369	A332-A365 HydrophobicContact CB-CB 4.23Å; I335-A365 HydrophobicContact CB-CB 4.03Å; I335-A365 HydrophobicContact CG2-CB 3.58Å; L361-A365 HydrophobicContact CD2-CB 4.46Å; D362-A365 WeakPolarHBondContact OD1-CB 3.31Å; D362-A365 PolarHBondContact OD1-N 3.15Å; A365-K368 PolarHBondContact O-N 3.32Å; A365-G369 PolarHBondContact O-N 3.36Å
366	S	98.7	Very high	98.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-66.7	-41.9	177.6	-57.2	0	0	0	0	111.9	D362 I363 N364 A370 H406	D362-S366 VanDerWaalsContact O-CB 3.25Å; D362-S366 WeakPolarHBondContact O-CB 3.43Å; D362-S366 PolarHBondContact O-N 3.18Å; D362-S366 PolarHBondContact O-OG 3.14Å; I363-S366 PolarHBondContact O-N 3.19Å; N364-S366 VanDerWaalsContact C-N 3.31Å; N364-S366 PolarHBondContact O-N 3.39Å; S366-A370 WeakPolarHBondContact O-CB 3.43Å; S366-A370 PolarHBondContact O-N 3.34Å; S366-H406 VanDerWaalsContact CB-O 3.27Å; S366-H406 WeakPolarHBondContact CB-O 3.27Å
367	I	98.6	Very high	98.3	Very high	53 Å²	53	25.9 Å²	25.9	27%	0.272	14%	0.135	S	C	.	.	H	α-helix	trans	-65.3	-48	175.6	-66.3	163.8	0	0	0	110.7	I363 N364 A370 R371 H406 K409	I363-I367 HydrophobicContact CG2-CD1 3.78Å; I363-I367 VanDerWaalsContact O-CG1 3.27Å; I363-I367 WeakPolarHBondContact O-CG1 3.46Å; I363-I367 PolarHBondContact O-N 2.72Å; N364-I367 PolarHBondContact O-N 3.25Å; I367-A370 PolarHBondContact O-N 3.3Å; I367-R371 PolarHBondContact O-N 3.15Å; I367-R371 VanDerWaalsContact O-N 3.12Å; I367-H406 HydrophobicContact CD1-CB 4.47Å; I367-H406 HydrophobicContact CG1-CB 4.36Å; I367-K409 HydrophobicContact CG1-CD 4.11Å
368	K	98.8	Very high	98.4	Very high	6 Å²	6	24.7 Å²	24.7	3%	0.026	13%	0.129	C	C	.	.	H	α-helix	trans	-55.5	-54.8	177.7	172.9	176.6	170.8	179	0	111.1	M328 Y331 A332 I335 I337 N364 A365 A370 F372	M328-K368 HydrophobicContact CB-CD 4.07Å; M328-K368 PolarHBondContact O-NZ 3.32Å; M328-K368 HydrophobicContact SD-CB 4.43Å; M328-K368 HydrophobicContact SD-CD 4.39Å; M328-K368 HydrophobicContact SD-CG 3.95Å; Y331-K368 HydrophobicContact CD1-CD 4.36Å; Y331-K368 HydrophobicContact CE1-CB 4.5Å; Y331-K368 WeakPolarHBondContact O-CD 3.46Å; Y331-K368 PolarHBondContact O-NZ 3.47Å; A332-K368 HydrophobicContact CB-CB 4.48Å; A332-K368 HydrophobicContact CB-CD 3.9Å; A332-K368 PolarHBondContact O-NZ 3.4Å; I335-K368 HydrophobicContact CG2-CB 4.44Å; I335-K368 HydrophobicContact CG2-CD 3.8Å; I335-K368 HydrophobicContact CG2-CG 4.21Å; I335-K368 VanDerWaalsContact O-CE 3.29Å; I335-K368 WeakPolarHBondContact O-CE 3.37Å; I335-K368 PolarHBondContact O-NZ 3.01Å; I337-K368 HydrophobicContact CD1-CD 4.34Å; I337-K368 HydrophobicContact CD1-CG 3.54Å; I337-K368 HydrophobicContact CG1-CD 4.4Å; I337-K368 VanDerWaalsContact CG1-CE 3.49Å; I337-K368 HydrophobicContact CG1-CG 4.06Å; N364-K368 VanDerWaalsContact O-CB 3.24Å; N364-K368 WeakPolarHBondContact O-CB 3.48Å; N364-K368 PolarHBondContact O-N 2.93Å; A365-K368 PolarHBondContact O-N 3.32Å; K368-A370 PolarHBondContact O-N 3.18Å; K368-F372 PolarHBondContact O-N 2.75Å
369	G	98.7	Very high	98.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.3	-43.8	179	0	0	0	0	0	112.6	A365 R371 F372 V373	A365-G369 PolarHBondContact O-N 3.36Å; G369-R371 PolarHBondContact O-N 3.43Å; G369-F372 PolarHBondContact O-N 2.97Å; G369-V373 WeakPolarHBondContact O-CG2 3.35Å; G369-V373 PolarHBondContact O-N 3.1Å
370	A	98.9	Very high	98.6	Very high	4 Å²	4	25 Å²	25	3%	0.033	12%	0.123	C	C	.	.	H	α-helix	trans	-62.6	-45.9	-175.8	0	0	0	0	0	112.3	S366 I367 K368 F372 V373 R374 K409 L410 A413	S366-A370 WeakPolarHBondContact O-CB 3.43Å; S366-A370 PolarHBondContact O-N 3.34Å; I367-A370 PolarHBondContact O-N 3.3Å; K368-A370 PolarHBondContact O-N 3.18Å; A370-F372 VanDerWaalsContact C-N 3.33Å; A370-F372 PolarHBondContact O-N 3.05Å; A370-V373 PolarHBondContact O-N 3.24Å; A370-R374 WeakPolarHBondContact O-CG 3.49Å; A370-R374 PolarHBondContact O-N 2.97Å; A370-R374 VanDerWaalsContact O-N 3.11Å; A370-K409 VanDerWaalsContact CB-C 3.46Å; A370-K409 HydrophobicContact CB-CB 3.63Å; A370-K409 WeakPolarHBondContact CB-O 3.38Å; A370-L410 HydrophobicContact CB-CB 4.39Å; A370-A413 HydrophobicContact CB-CB 4.2Å; A370-A413 WeakPolarHBondContact O-CB 3.41Å
371	R	98.9	Very high	98.7	Very high	108 Å²	108	24.3 Å²	24.3	41%	0.408	12%	0.118	S	C	.	.	H	α-helix	trans	-64.3	-41.3	179.6	-169.6	174	-175.7	-177.5	5.7	111.3	A204 T206 I367 G369 R374 F375	A204-R371 PolarHBondContact O-NH2 2.93Å; T206-R371 PolarHBondContact O-NH2 3.06Å; I367-R371 PolarHBondContact O-N 3.15Å; I367-R371 VanDerWaalsContact O-N 3.12Å; G369-R371 PolarHBondContact O-N 3.43Å; R371-R374 PolarHBondContact O-N 3.19Å; R371-F375 PolarHBondContact O-N 2.8Å
372	F	98.9	Very high	98.7	Very high	7 Å²	7	25.2 Å²	25.2	3%	0.031	12%	0.124	C	C	.	.	H	α-helix	trans	-65.5	-44.3	178.8	-176	-102.7	0	0	0	113	I327 I337 G338 L339 I349 V350 K368 G369 A370 R374 F375 C376	I327-F372 HydrophobicContact CG1-CE2 4.34Å; I337-F372 HydrophobicContact CB-CB 4.24Å; I337-F372 HydrophobicContact CB-CD1 3.73Å; I337-F372 HydrophobicContact CB-CD2 4.24Å; I337-F372 HydrophobicContact CB-CE1 4.11Å; I337-F372 HydrophobicContact CB-CG 3.79Å; I337-F372 HydrophobicContact CD1-CB 3.55Å; I337-F372 HydrophobicContact CD1-CD2 3.94Å; I337-F372 HydrophobicContact CD1-CG 3.77Å; I337-F372 HydrophobicContact CG1-CB 4.45Å; I337-F372 HydrophobicContact CG1-CD2 4.43Å; I337-F372 HydrophobicContact CG1-CG 4.27Å; I337-F372 HydrophobicContact CG2-CB 4.21Å; I337-F372 HydrophobicContact CG2-CD1 3.9Å; I337-F372 HydrophobicContact CG2-CG 4.14Å; G338-F372 WeakPolarHBondContact O-CZ 3.39Å; L339-F372 HydrophobicContact CD2-CE2 4.21Å; L339-F372 HydrophobicContact CD2-CZ 3.98Å; L339-F372 HydrophobicContact CG-CE2 4.38Å; L339-F372 HydrophobicContact CG-CZ 4.43Å; I349-F372 WeakPolarHBondContact O-CE1 3.39Å; V350-F372 HydrophobicContact CG2-CD1 3.8Å; V350-F372 HydrophobicContact CG2-CE1 4.11Å; K368-F372 PolarHBondContact O-N 2.75Å; G369-F372 PolarHBondContact O-N 2.97Å; A370-F372 VanDerWaalsContact C-N 3.33Å; A370-F372 PolarHBondContact O-N 3.05Å; F372-R374 VanDerWaalsContact C-N 3.34Å; F372-R374 PolarHBondContact O-N 3.23Å; F372-F375 PolarHBondContact O-N 3.07Å; F372-C376 VanDerWaalsContact CE1-SG 3.57Å; F372-C376 VanDerWaalsContact CZ-SG 3.56Å; F372-C376 PolarHBondContact O-N 3.47Å; F372-C376 PolarHBondContact O-SG 2.81Å
373	V	98.9	Very high	98.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-58.6	-46.1	175.5	166.5	0	0	0	0	110.9	V350 G369 A370 C376 D377 L383 L410 A413 Y414 A417	V350-V373 HydrophobicContact CG2-CG2 3.94Å; G369-V373 WeakPolarHBondContact O-CG2 3.35Å; G369-V373 PolarHBondContact O-N 3.1Å; A370-V373 PolarHBondContact O-N 3.24Å; V373-C376 PolarHBondContact O-N 2.91Å; V373-D377 PolarHBondContact O-N 2.84Å; V373-L383 HydrophobicContact CB-CD1 4.39Å; V373-L383 HydrophobicContact CG1-CD1 3.76Å; V373-L383 HydrophobicContact CG2-CD1 4.37Å; V373-L383 HydrophobicContact CG2-CD2 4.33Å; V373-L410 HydrophobicContact CG2-CD1 4.23Å; V373-A413 HydrophobicContact CB-CB 3.83Å; V373-A413 HydrophobicContact CG1-CB 3.59Å; V373-Y414 HydrophobicContact CG1-CD1 3.99Å; V373-Y414 HydrophobicContact CG1-CE1 4.26Å; V373-Y414 HydrophobicContact CG1-CG 4.33Å; V373-Y414 HydrophobicContact CG2-CD1 4.24Å; V373-Y414 HydrophobicContact CG2-CE1 3.74Å; V373-Y414 HydrophobicContact CG2-CE2 4.12Å; V373-A417 HydrophobicContact CG1-CB 4.42Å
374	R	98.9	Very high	98.7	Very high	91 Å²	91	23.4 Å²	23.4	34%	0.343	12%	0.115	S	C	.	.	H	α-helix	trans	-66.4	-37.3	178.2	-66.4	-163	80	-141.9	-5.3	112.9	A370 R371 F372 D377 A378 A413 E416 M532	A370-R374 WeakPolarHBondContact O-CG 3.49Å; A370-R374 PolarHBondContact O-N 2.97Å; A370-R374 VanDerWaalsContact O-N 3.11Å; R371-R374 PolarHBondContact O-N 3.19Å; F372-R374 VanDerWaalsContact C-N 3.34Å; F372-R374 PolarHBondContact O-N 3.23Å; R374-D377 PolarHBondContact O-N 2.85Å; R374-A378 WeakPolarHBondContact O-CB 3.32Å; R374-A378 PolarHBondContact O-N 2.88Å; R374-A413 HydrophobicContact CG-CB 3.69Å; R374-E416 IonicContact CZ-OE2 3.42Å; R374-E416 IonicContact NE-OE2 3.72Å; R374-E416 PolarHBondContact NE-OE2 3.3Å; R374-E416 IonicContact NH2-OE1 3.73Å; R374-E416 IonicContact NH2-OE2 3.71Å; R374-E416 PolarHBondContact NH2-OE2 2.95Å; R374-M532 PolarHBondContact NH1-SD 2.92Å
375	F	98.9	Very high	98.8	Very high	15 Å²	15	20.2 Å²	20.2	7%	0.066	10%	0.098	C	C	.	.	H	α-helix	trans	-60.2	-49	172.9	172.8	-92	0	0	0	110.8	D207 F208 L273 R371 F372 D377 A378 F379 I381	D207-F375 HydrophobicContact CB-CD2 3.73Å; D207-F375 HydrophobicContact CB-CE2 3.71Å; F208-F375 HydrophobicContact CD2-CE2 4.36Å; F208-F375 HydrophobicContact CE2-CD1 4Å; F208-F375 AromaticContact CE2-CD2 3.81Å; F208-F375 HydrophobicContact CE2-CD2 3.81Å; F208-F375 AromaticContact CE2-CE1 3.65Å; F208-F375 HydrophobicContact CE2-CE1 3.65Å; F208-F375 AromaticContact CE2-CE2 3.43Å; F208-F375 HydrophobicContact CE2-CE2 3.43Å; F208-F375 VanDerWaalsContact CE2-CE2 3.43Å; F208-F375 HydrophobicContact CE2-CG 4.1Å; F208-F375 AromaticContact CE2-CZ 3.38Å; F208-F375 HydrophobicContact CE2-CZ 3.38Å; F208-F375 AromaticContact CZ-CD1 3.64Å; F208-F375 HydrophobicContact CZ-CD1 3.64Å; F208-F375 HydrophobicContact CZ-CD2 4.06Å; F208-F375 AromaticContact CZ-CE1 3.64Å; F208-F375 HydrophobicContact CZ-CE1 3.64Å; F208-F375 HydrophobicContact CZ-CE2 4.06Å; F208-F375 AromaticContact CZ-CG 3.87Å; F208-F375 HydrophobicContact CZ-CG 3.87Å; F208-F375 AromaticContact CZ-CZ 3.89Å; F208-F375 HydrophobicContact CZ-CZ 3.89Å; L273-F375 HydrophobicContact CD1-CZ 4.32Å; L273-F375 HydrophobicContact CD2-CE1 3.86Å; L273-F375 HydrophobicContact CD2-CZ 3.73Å; R371-F375 PolarHBondContact O-N 2.8Å; F372-F375 PolarHBondContact O-N 3.07Å; F375-D377 VanDerWaalsContact C-N 3.32Å; F375-D377 PolarHBondContact O-N 3.18Å; F375-A378 PolarHBondContact O-N 3.31Å; F375-F379 AromaticContact CD2-CD2 3.58Å; F375-F379 HydrophobicContact CD2-CD2 3.58Å; F375-F379 AromaticContact CD2-CE2 3.69Å; F375-F379 HydrophobicContact CD2-CE2 3.69Å; F375-F379 HydrophobicContact CE1-CD2 4.32Å; F375-F379 AromaticContact CE2-CD2 3.19Å; F375-F379 HydrophobicContact CE2-CD2 3.19Å; F375-F379 AromaticContact CE2-CE2 3.31Å; F375-F379 HydrophobicContact CE2-CE2 3.31Å; F375-F379 HydrophobicContact CE2-CG 4.22Å; F375-F379 HydrophobicContact CE2-CZ 4.4Å; F375-F379 HydrophobicContact CG-CD2 4.27Å; F375-F379 HydrophobicContact CZ-CB 4.49Å; F375-F379 AromaticContact CZ-CD2 3.58Å; F375-F379 HydrophobicContact CZ-CD2 3.58Å; F375-F379 HydrophobicContact CZ-CE2 4.11Å; F375-F379 HydrophobicContact CZ-CG 4.23Å; F375-F379 WeakPolarHBondContact O-CD2 3.35Å; F375-F379 PolarHBondContact O-N 3.32Å; F375-I381 HydrophobicContact CD1-CD1 4.45Å; F375-I381 HydrophobicContact CE1-CD1 3.78Å
376	C	98.9	Very high	98.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-59.3	-45.3	179.7	-66.1	0	0	0	0	111.2	F372 V373 F379 N380 I381 L383	F372-C376 VanDerWaalsContact CE1-SG 3.57Å; F372-C376 VanDerWaalsContact CZ-SG 3.56Å; F372-C376 PolarHBondContact O-N 3.47Å; F372-C376 PolarHBondContact O-SG 2.81Å; V373-C376 PolarHBondContact O-N 2.91Å; C376-F379 CarbonylContact O-C 3.49Å; C376-F379 PolarHBondContact O-N 2.88Å; C376-N380 PolarHBondContact O-N 3.28Å; C376-N380 VanDerWaalsContact O-N 3.17Å; C376-I381 HydrophobicContact CB-CB 3.91Å; C376-I381 HydrophobicContact CB-CG2 4.2Å; C376-I381 PolarHBondContact O-N 2.83Å; C376-L383 HydrophobicContact CB-CD2 3.7Å; C376-L383 HydrophobicContact CB-CG 4.14Å
377	D	98.7	Very high	98.8	Very high	26 Å²	26	20.3 Å²	20.3	14%	0.139	10%	0.098	C	C	.	.	H	α-helix	trans	-61.8	-45.9	177.5	-172.8	61.2	0	0	0	112.6	V373 R374 F375 F379 N380 A417 T418 V419	V373-D377 PolarHBondContact O-N 2.84Å; R374-D377 PolarHBondContact O-N 2.85Å; F375-D377 VanDerWaalsContact C-N 3.32Å; F375-D377 PolarHBondContact O-N 3.18Å; D377-F379 PolarHBondContact O-N 2.98Å; D377-F379 VanDerWaalsContact O-N 3.15Å; D377-N380 PolarHBondContact O-N 3.01Å; D377-A417 HydrophobicContact CB-CB 4.01Å; D377-A417 VanDerWaalsContact CG-CA 3.5Å; D377-A417 WeakPolarHBondContact OD1-CA 3.39Å; D377-T418 PolarHBondContact OD1-N 3.4Å; D377-T418 PolarHBondContact OD1-OG1 3.36Å; D377-V419 HydrophobicContact CB-CG2 4.24Å; D377-V419 PolarHBondContact OD1-N 3.34Å
378	A	98.6	Very high	98.8	Very high	34 Å²	34	17.8 Å²	17.8	28%	0.281	9%	0.085	S	C	.	.	H	α-helix	trans	-61.3	-25.8	179.7	0	0	0	0	0	113.4	N277 R374 F375	N277-A378 WeakPolarHBondContact CB-O 3.41Å; R374-A378 WeakPolarHBondContact O-CB 3.32Å; R374-A378 PolarHBondContact O-N 2.88Å; F375-A378 PolarHBondContact O-N 3.31Å
379	F	98.7	Very high	98.7	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.1	25.7	-177.5	-69.4	-71.5	0	0	0	113.2	I185 P186 P274 N277 F375 C376 D377 I381	I185-F379 VanDerWaalsContact C-CZ 3.47Å; P186-F379 HydrophobicContact CG-CD1 4.15Å; P186-F379 HydrophobicContact CG-CE1 3.81Å; P186-F379 HydrophobicContact CG-CZ 4.21Å; P274-F379 HydrophobicContact CG-CB 3.76Å; P274-F379 HydrophobicContact CG-CD1 3.99Å; P274-F379 HydrophobicContact CG-CG 4.29Å; P274-F379 WeakPolarHBondContact CG-O 3.24Å; N277-F379 HydrophobicContact CB-CD1 4.41Å; F375-F379 AromaticContact CD2-CD2 3.58Å; F375-F379 HydrophobicContact CD2-CD2 3.58Å; F375-F379 AromaticContact CD2-CE2 3.69Å; F375-F379 HydrophobicContact CD2-CE2 3.69Å; F375-F379 HydrophobicContact CE1-CD2 4.32Å; F375-F379 AromaticContact CE2-CD2 3.19Å; F375-F379 HydrophobicContact CE2-CD2 3.19Å; F375-F379 AromaticContact CE2-CE2 3.31Å; F375-F379 HydrophobicContact CE2-CE2 3.31Å; F375-F379 HydrophobicContact CE2-CG 4.22Å; F375-F379 HydrophobicContact CE2-CZ 4.4Å; F375-F379 HydrophobicContact CG-CD2 4.27Å; F375-F379 HydrophobicContact CZ-CB 4.49Å; F375-F379 AromaticContact CZ-CD2 3.58Å; F375-F379 HydrophobicContact CZ-CD2 3.58Å; F375-F379 HydrophobicContact CZ-CE2 4.11Å; F375-F379 HydrophobicContact CZ-CG 4.23Å; F375-F379 WeakPolarHBondContact O-CD2 3.35Å; F375-F379 PolarHBondContact O-N 3.32Å; C376-F379 CarbonylContact O-C 3.49Å; C376-F379 PolarHBondContact O-N 2.88Å; D377-F379 PolarHBondContact O-N 2.98Å; D377-F379 VanDerWaalsContact O-N 3.15Å; F379-I381 HydrophobicContact CB-CD1 4.37Å; F379-I381 PolarHBondContact O-N 3.5Å; F379-I381 VanDerWaalsContact O-N 3.12Å
380	N	98.1	Very high	98.6	Very high	61 Å²	61	19.4 Å²	19.4	33%	0.326	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	28.6	173.2	-51.7	-62.2	0	0	0	114.2	N277 E279 P281 C376 D377 P382	N277-N380 PolarHBondContact O-ND2 3.46Å; E279-N380 PolarHBondContact O-ND2 3.23Å; P281-N380 VanDerWaalsContact CD-O 3.23Å; P281-N380 WeakPolarHBondContact CD-O 3.13Å; C376-N380 PolarHBondContact O-N 3.28Å; C376-N380 VanDerWaalsContact O-N 3.17Å; D377-N380 PolarHBondContact O-N 3.01Å; N380-P382 WeakPolarHBondContact O-CD 3.4Å
381	I	98.7	Very high	98.4	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.102	C	C	.	.			trans	-90.7	118.5	178.2	-62.4	167.4	0	0	0	108.5	L273 P281 L339 T346 G348 F375 C376 F379 V419	L273-I381 HydrophobicContact CD2-CD1 4.36Å; P281-I381 HydrophobicContact CG-CB 4.34Å; P281-I381 HydrophobicContact CG-CG1 3.53Å; L339-I381 HydrophobicContact CD2-CD1 4.11Å; L339-I381 HydrophobicContact CD2-CG2 4.28Å; T346-I381 HydrophobicContact CG2-CD1 4.44Å; T346-I381 HydrophobicContact CG2-CG1 4.35Å; T346-I381 HydrophobicContact CG2-CG2 4.04Å; G348-I381 VanDerWaalsContact N-CG2 3.3Å; F375-I381 HydrophobicContact CD1-CD1 4.45Å; F375-I381 HydrophobicContact CE1-CD1 3.78Å; C376-I381 HydrophobicContact CB-CB 3.91Å; C376-I381 HydrophobicContact CB-CG2 4.2Å; C376-I381 PolarHBondContact O-N 2.83Å; F379-I381 HydrophobicContact CB-CD1 4.37Å; F379-I381 PolarHBondContact O-N 3.5Å; F379-I381 VanDerWaalsContact O-N 3.12Å; I381-V419 WeakPolarHBondContact O-CG2 3.33Å
382	P	98.6	Very high	98.3	Very high	20 Å²	20	17.8 Å²	17.8	13%	0.13	10%	0.096	C	C	.	.			trans	-55.1	147.6	172.1	-27.4	36.6	0	0	0	113	T346 V347 G348 N380 P420 L514	T346-P382 WeakPolarHBondContact O-CD 3.4Å; V347-P382 HydrophobicContact CG1-CB 4.35Å; G348-P382 PolarHBondContact N-O 2.53Å; N380-P382 WeakPolarHBondContact O-CD 3.4Å; P382-P420 WeakPolarHBondContact CA-O 3.28Å; P382-P420 HydrophobicContact CB-CB 4.09Å; P382-P420 HydrophobicContact CB-CG 4.48Å; P382-P420 HydrophobicContact CG-CB 4.44Å; P382-P420 HydrophobicContact CG-CG 4.31Å; P382-L514 HydrophobicContact CB-CD2 3.52Å; P382-L514 HydrophobicContact CG-CD2 3.96Å
383	L	98.9	Very high	98.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	126.8	179.2	-72.5	165	0	0	0	111.2	G348 V350 V373 C376 Y414 A417 V419 P420 K421 L422	G348-L383 CarbonylContact O-C 3.57Å; G348-L383 WeakPolarHBondContact O-CA 3.34Å; V350-L383 HydrophobicContact CG2-CD2 4.33Å; V373-L383 HydrophobicContact CB-CD1 4.39Å; V373-L383 HydrophobicContact CG1-CD1 3.76Å; V373-L383 HydrophobicContact CG2-CD1 4.37Å; V373-L383 HydrophobicContact CG2-CD2 4.33Å; C376-L383 HydrophobicContact CB-CD2 3.7Å; C376-L383 HydrophobicContact CB-CG 4.14Å; L383-Y414 HydrophobicContact CD1-CD1 4.46Å; L383-Y414 HydrophobicContact CD1-CE1 4.24Å; L383-A417 HydrophobicContact CD1-CB 4.4Å; L383-V419 HydrophobicContact CD1-CG2 3.98Å; L383-V419 HydrophobicContact CG-CG2 4.23Å; L383-P420 PolarHBondContact N-O 2.99Å; L383-K421 HydrophobicContact CB-CG 4.24Å; L383-K421 HydrophobicContact CD1-CG 4.31Å; L383-K421 WeakPolarHBondContact O-CA 3.39Å; L383-L422 PolarHBondContact O-N 3.06Å
384	I	98.9	Very high	97.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	120.1	169.2	-50.8	-55	0	0	0	108.3	L342 V347 G348 I349 V350 L386 L422 I424 L510 L514	L342-I384 HydrophobicContact CD1-CD1 4.48Å; L342-I384 HydrophobicContact CD1-CG1 4.17Å; V347-I384 HydrophobicContact CB-CG1 4.04Å; V347-I384 HydrophobicContact CG1-CG1 4.29Å; V347-I384 HydrophobicContact CG2-CG1 4.29Å; G348-I384 PolarHBondContact O-N 2.99Å; I349-I384 CarbonylContact C-O 3.56Å; I349-I384 WeakPolarHBondContact CA-O 3.44Å; I349-I384 HydrophobicContact CG1-CB 4.41Å; V350-I384 PolarHBondContact N-O 3.05Å; I384-L386 HydrophobicContact CG2-CD2 4.18Å; I384-L422 CarbonylContact C-O 3.48Å; I384-L422 WeakPolarHBondContact CA-O 3.32Å; I384-L422 HydrophobicContact CD1-CB 3.86Å; I384-L422 HydrophobicContact CD1-CD1 3.76Å; I384-L422 HydrophobicContact CD1-CG 4.26Å; I384-I424 HydrophobicContact CG2-CD1 4.15Å; I384-L510 HydrophobicContact CD1-CD2 3.83Å; I384-L510 HydrophobicContact CG2-CD1 4.03Å; I384-L510 HydrophobicContact CG2-CD2 4.21Å; I384-L514 HydrophobicContact CD1-CD1 4.38Å; I384-L514 HydrophobicContact CD1-CD2 4.29Å
385	T	98.9	Very high	97.6	Very high	0 Å²	0	23 Å²	23	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	117	-178.2	-53.6	0	0	0	0	110.8	V350 V387 Y414 L422 T423 I424 M437 S438	V350-T385 CarbonylContact O-C 3.52Å; V350-T385 VanDerWaalsContact O-CA 3.24Å; V350-T385 WeakPolarHBondContact O-CA 3.21Å; T385-V387 HydrophobicContact CG2-CG2 3.86Å; T385-Y414 PolarHBondContact OG1-OH 3.49Å; T385-Y414 VanDerWaalsContact OG1-OH 3.06Å; T385-L422 PolarHBondContact N-O 3.22Å; T385-T423 HydrophobicContact CG2-CG2 4.42Å; T385-T423 CarbonylContact O-C 3.56Å; T385-T423 WeakPolarHBondContact O-CA 3.47Å; T385-I424 PolarHBondContact O-N 3.11Å; T385-M437 HydrophobicContact CG2-CB 4.48Å; T385-M437 HydrophobicContact CG2-CE 3.66Å; T385-S438 WeakPolarHBondContact OG1-CB 3.18Å
386	L	98.9	Very high	97.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	115.5	177.7	-52.9	178.4	0	0	0	109.9	M311 I314 I315 I318 V350 A351 N352 I384 I424 I426	M311-L386 HydrophobicContact SD-CB 3.94Å; M311-L386 HydrophobicContact SD-CD1 4.04Å; I314-L386 HydrophobicContact CG2-CD1 4.15Å; I315-L386 HydrophobicContact CG1-CD1 3.68Å; I318-L386 HydrophobicContact CD1-CD1 4.05Å; I318-L386 HydrophobicContact CD1-CD2 4.34Å; V350-L386 PolarHBondContact O-N 2.8Å; A351-L386 VanDerWaalsContact CA-O 3.31Å; A351-L386 WeakPolarHBondContact CA-O 3.42Å; A351-L386 HydrophobicContact CB-CB 3.78Å; A351-L386 HydrophobicContact CB-CD1 4.29Å; A351-L386 HydrophobicContact CB-CG 4.34Å; N352-L386 PolarHBondContact N-O 3.49Å; N352-L386 VanDerWaalsContact N-O 3.16Å; I384-L386 HydrophobicContact CG2-CD2 4.18Å; L386-I424 HydrophobicContact CD2-CB 4.1Å; L386-I424 HydrophobicContact CD2-CD1 3.68Å; L386-I424 HydrophobicContact CD2-CG1 4.42Å; L386-I426 HydrophobicContact CB-CG1 4.37Å
387	V	98.8	Very high	97.4	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	117.8	-165	-171.5	0	0	0	0	111.6	N352 T385 V389 T423 I424 V425 I426 R427 S429 M437	N352-V387 WeakPolarHBondContact OD1-CA 3.34Å; T385-V387 HydrophobicContact CG2-CG2 3.86Å; V387-V389 HydrophobicContact CG1-CG1 3.79Å; V387-T423 HydrophobicContact CG2-CG2 3.61Å; V387-I424 PolarHBondContact N-O 3.4Å; V387-V425 HydrophobicContact CB-CG2 4.36Å; V387-I426 PolarHBondContact O-N 2.66Å; V387-R427 PolarHBondContact O-N 2.64Å; V387-S429 WeakPolarHBondContact CG1-OG 3.32Å; V387-M437 HydrophobicContact CG1-CB 3.97Å; V387-M437 HydrophobicContact CG1-CG 4.35Å; V387-M437 HydrophobicContact CG2-CB 3.85Å
388	D	98.2	Very high	97.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	79.5	164.4	-172.5	9.3	0	0	0	108.6	Y309 M311 N352 P354 R427 K428	Y309-D388 WeakPolarHBondContact CE1-OD2 3.49Å; Y309-D388 VanDerWaalsContact CZ-OD2 3.3Å; Y309-D388 WeakPolarHBondContact OH-CB 3.31Å; Y309-D388 PolarHBondContact OH-OD2 3.4Å; M311-D388 HydrophobicContact CE-CB 3.96Å; N352-D388 WeakPolarHBondContact CB-O 3.4Å; N352-D388 PolarHBondContact OD1-N 3.25Å; P354-D388 HydrophobicContact CG-CB 4.06Å; P354-D388 WeakPolarHBondContact CG-OD2 3.49Å; D388-R427 HydrophobicContact CB-CB 4.48Å; D388-R427 IonicContact OD1-NE 3.43Å; D388-R427 PolarHBondContact OD1-NE 2.78Å; D388-R427 IonicContact OD1-NH2 2.79Å; D388-R427 IonicContact OD2-CZ 2.93Å; D388-R427 VanDerWaalsContact OD2-CZ 3.27Å; D388-R427 IonicContact OD2-NE 2.64Å; D388-R427 PolarHBondContact OD2-NE 2.62Å; D388-R427 IonicContact OD2-NH2 3.15Å; D388-R427 PolarHBondContact OD2-NH2 3.14Å; D388-K428 CarbonylContact C-O 3.57Å; D388-K428 VanDerWaalsContact CA-O 3.29Å; D388-K428 WeakPolarHBondContact CA-O 3.39Å; D388-K428 VanDerWaalsContact OD1-CB 3.28Å; D388-K428 WeakPolarHBondContact OD1-CB 3.46Å; D388-K428 WeakPolarHBondContact OD1-CG 3.32Å; D388-K428 PolarHBondContact OD1-N 3.38Å
389	V	97.9	Very high	97.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	119.4	-173.5	64.4	0	0	0	0	111.4	G359 L361 V387 G391 K428 Y430 A433 M437	G359-V389 WeakPolarHBondContact O-CG2 3.23Å; L361-V389 HydrophobicContact CD1-CG2 4.49Å; L361-V389 HydrophobicContact CG-CG2 4.12Å; V387-V389 HydrophobicContact CG1-CG1 3.79Å; V389-G391 VanDerWaalsContact C-N 3.32Å; V389-G391 WeakPolarHBondContact CG2-O 3.18Å; V389-K428 PolarHBondContact N-O 2.93Å; V389-K428 CarbonylContact O-C 3.58Å; V389-Y430 PolarHBondContact O-N 3.49Å; V389-A433 HydrophobicContact CB-CB 4.22Å; V389-A433 HydrophobicContact CG1-CB 3.65Å; V389-A433 HydrophobicContact CG2-CB 3.5Å; V389-A433 VanDerWaalsContact CG2-CB 3.5Å; V389-M437 HydrophobicContact CG1-CG 3.92Å
390	P	95.5	Very high	97.3	Very high	40 Å²	40	47.1 Å²	47.1	26%	0.26	25%	0.252	S	S	.	.			trans	-82.8	-10.2	177.8	33.6	-36.3	0	0	0	113.1	A358 C360 K428 Y430	A358-P390 HydrophobicContact CB-CG 4.37Å; A358-P390 WeakPolarHBondContact O-CD 3.17Å; A358-P390 WeakPolarHBondContact O-CG 3.42Å; C360-P390 VanDerWaalsContact SG-CG 3.58Å; P390-K428 HydrophobicContact CB-CD 4.16Å; P390-Y430 HydrophobicContact CB-CD2 4.18Å; P390-Y430 HydrophobicContact CB-CE2 4.42Å; P390-Y430 WeakPolarHBondContact O-CD2 3.34Å
391	G	96	Very high	97.2	Very high	14 Å²	14	45.9 Å²	45.9	14%	0.144	25%	0.254	C	S	.	.			trans	149.7	-162.5	-177.9	0	0	0	0	0	112.8	C360 L361 V389	C360-G391 WeakPolarHBondContact CA-O 3.38Å; L361-G391 PolarHBondContact N-O 3.46Å; V389-G391 VanDerWaalsContact C-N 3.32Å; V389-G391 WeakPolarHBondContact CG2-O 3.18Å
392	F	96.6	Very high	97.2	Very high	64 Å²	64	46.9 Å²	46.9	28%	0.281	26%	0.264	S	S	.	.	B	Isolated β-bridge	trans	-87.4	150.3	167.3	-74.8	-92.9	0	0	0	110.3	L361 P394 I403 A433 V436	L361-F392 HydrophobicContact CB-CD1 3.69Å; L361-F392 HydrophobicContact CB-CE1 3.71Å; L361-F392 HydrophobicContact CB-CG 4.32Å; L361-F392 HydrophobicContact CB-CZ 4.35Å; L361-F392 HydrophobicContact CD1-CE1 4.22Å; L361-F392 HydrophobicContact CD1-CZ 4.08Å; L361-F392 CarbonylContact O-C 3.51Å; L361-F392 WeakPolarHBondContact O-CA 3.32Å; L361-F392 WeakPolarHBondContact O-CD1 3.48Å; F392-P394 WeakPolarHBondContact O-CD 3.22Å; F392-I403 HydrophobicContact CD1-CD1 3.94Å; F392-I403 HydrophobicContact CD1-CG1 4.15Å; F392-I403 HydrophobicContact CE1-CD1 4.3Å; F392-A433 HydrophobicContact CE2-CB 4.43Å; F392-V436 HydrophobicContact CE2-CG2 3.97Å; F392-V436 HydrophobicContact CZ-CG2 3.71Å
393	L	95.4	Very high	97.2	Very high	56 Å²	56	46.5 Å²	46.5	29%	0.293	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-64.4	119.7	175.4	-173.6	70.4	0	0	0	109.3	C360 L361 D362 Q398	C360-L393 HydrophobicContact CB-CB 4.16Å; C360-L393 HydrophobicContact CB-CD1 4.45Å; L361-L393 PolarHBondContact O-N 3.42Å; D362-L393 HydrophobicContact CB-CB 4.08Å; D362-L393 HydrophobicContact CB-CD2 4.2Å; L393-Q398 HydrophobicContact CB-CG 4.42Å; L393-Q398 HydrophobicContact CD2-CG 4.36Å; L393-Q398 WeakPolarHBondContact O-CG 3.45Å
394	P	92.5	Very high	97.1	Very high	112 Å²	112	53 Å²	53	73%	0.727	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-74.9	152.5	176.8	30.7	-34.3	0	0	0	111	F392	F392-P394 WeakPolarHBondContact O-CD 3.22Å
395	G	93.4	Very high	97.1	Very high	40 Å²	40	59.3 Å²	59.3	41%	0.412	32%	0.318	S	S	.	.	S	Bend	trans	145.8	150.8	167.7	0	0	0	0	0	114.1	N397 Q398 E399	G395-N397 PolarHBondContact O-N 2.87Å; G395-Q398 WeakPolarHBondContact O-CB 3.24Å; G395-Q398 PolarHBondContact O-N 3.13Å; G395-E399 PolarHBondContact O-N 2.6Å
396	I	96.6	Very high	97.1	Very high	109 Å²	109	60.2 Å²	60.2	56%	0.559	32%	0.322	S	S	*	.	H	α-helix	trans	-56.5	-37.2	-178.5	-62.7	174.3	0	0	0	111.4	Q398 E399 Y400	I396-Q398 VanDerWaalsContact C-N 3.28Å; I396-Q398 PolarHBondContact O-N 3.38Å; I396-E399 PolarHBondContact O-N 3.06Å; I396-Y400 HydrophobicContact CG2-CD1 4.03Å; I396-Y400 HydrophobicContact CG2-CD2 3.51Å; I396-Y400 HydrophobicContact CG2-CE1 3.77Å; I396-Y400 HydrophobicContact CG2-CE2 3.22Å; I396-Y400 HydrophobicContact CG2-CG 3.91Å; I396-Y400 WeakPolarHBondContact O-CB 3.34Å; I396-Y400 PolarHBondContact O-N 3.27Å
397	N	96.6	Very high	97	Very high	139 Å²	139	60.4 Å²	60.4	74%	0.743	32%	0.324	S	S	*	.	H	α-helix	trans	-64.4	-30.9	177.9	-67.1	-18.1	0	0	0	113.1	G395 G401	G395-N397 PolarHBondContact O-N 2.87Å; N397-G401 PolarHBondContact O-N 3.15Å
398	Q	97.8	Very high	97	Very high	30 Å²	30	61.9 Å²	61.9	14%	0.14	34%	0.336	C	S	.	.	H	α-helix	trans	-72.9	-44.5	174.9	-66.7	-66.9	-46.1	0	0	110.2	L393 G395 I396 G401 G402 I403	L393-Q398 HydrophobicContact CB-CG 4.42Å; L393-Q398 HydrophobicContact CD2-CG 4.36Å; L393-Q398 WeakPolarHBondContact O-CG 3.45Å; G395-Q398 WeakPolarHBondContact O-CB 3.24Å; G395-Q398 PolarHBondContact O-N 3.13Å; I396-Q398 VanDerWaalsContact C-N 3.28Å; I396-Q398 PolarHBondContact O-N 3.38Å; Q398-G401 PolarHBondContact O-N 2.9Å; Q398-G402 PolarHBondContact O-N 3.16Å; Q398-I403 HydrophobicContact CB-CB 4.09Å; Q398-I403 HydrophobicContact CB-CG2 4.15Å; Q398-I403 VanDerWaalsContact O-CB 3.28Å; Q398-I403 WeakPolarHBondContact O-CB 3.18Å; Q398-I403 VanDerWaalsContact O-CG2 3.31Å; Q398-I403 WeakPolarHBondContact O-CG2 3.3Å; Q398-I403 PolarHBondContact O-N 3.48Å
399	E	98	Very high	97	Very high	108 Å²	108	62.9 Å²	62.9	51%	0.505	34%	0.341	S	S	.	.	H	α-helix	trans	-63.6	-49.2	178	-64.3	-59.7	163.6	0	0	112	G395 I396 G401 G402	G395-E399 PolarHBondContact O-N 2.6Å; I396-E399 PolarHBondContact O-N 3.06Å; E399-G401 VanDerWaalsContact C-N 3.3Å; E399-G401 PolarHBondContact O-N 3.14Å; E399-G402 WeakPolarHBondContact O-CA 3.39Å; E399-G402 PolarHBondContact O-N 3.2Å
400	Y	98	Very high	97.1	Very high	196 Å²	196	62.9 Å²	62.9	77%	0.769	34%	0.341	S	S	*	.	H	α-helix	trans	-68.1	-31.3	178.4	-68.3	-0.1	0	0	0	112.5	I396 G402	I396-Y400 HydrophobicContact CG2-CD1 4.03Å; I396-Y400 HydrophobicContact CG2-CD2 3.51Å; I396-Y400 HydrophobicContact CG2-CE1 3.77Å; I396-Y400 HydrophobicContact CG2-CE2 3.22Å; I396-Y400 HydrophobicContact CG2-CG 3.91Å; I396-Y400 WeakPolarHBondContact O-CB 3.34Å; I396-Y400 PolarHBondContact O-N 3.27Å; Y400-G402 PolarHBondContact O-N 2.9Å
401	G	97.9	Very high	97.2	Very high	35 Å²	35	64.2 Å²	64.2	36%	0.361	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-6.8	170.8	0	0	0	0	0	113.6	N397 Q398 E399 H406	N397-G401 PolarHBondContact O-N 3.15Å; Q398-G401 PolarHBondContact O-N 2.9Å; E399-G401 VanDerWaalsContact C-N 3.3Å; E399-G401 PolarHBondContact O-N 3.14Å; G401-H406 PolarHBondContact O-CD2 3.01Å; G401-H406 PolarHBondContact O-NE2 3.12Å
402	G	98	Very high	97.4	Very high	21 Å²	21	66.1 Å²	66.1	22%	0.216	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	39.8	177.4	0	0	0	0	0	113.9	Q398 E399 Y400 I404 R405 H406	Q398-G402 PolarHBondContact O-N 3.16Å; E399-G402 WeakPolarHBondContact O-CA 3.39Å; E399-G402 PolarHBondContact O-N 3.2Å; Y400-G402 PolarHBondContact O-N 2.9Å; G402-I404 PolarHBondContact O-N 3.13Å; G402-I404 VanDerWaalsContact O-N 3.11Å; G402-R405 WeakPolarHBondContact O-CB 3.04Å; G402-R405 PolarHBondContact O-N 3.24Å; G402-H406 PolarHBondContact O-CD2 2.86Å; G402-H406 PolarHBondContact O-N 3.36Å
403	I	98	Very high	97.5	Very high	12 Å²	12	63.1 Å²	63.1	6%	0.062	34%	0.336	C	S	.	.	H	α-helix	trans	-51.3	-33.6	178	-176.4	59.1	0	0	0	113.3	I363 F392 Q398 R405 H406 G407	I363-I403 HydrophobicContact CG1-CB 4.04Å; I363-I403 HydrophobicContact CG1-CD1 3.84Å; F392-I403 HydrophobicContact CD1-CD1 3.94Å; F392-I403 HydrophobicContact CD1-CG1 4.15Å; F392-I403 HydrophobicContact CE1-CD1 4.3Å; Q398-I403 HydrophobicContact CB-CB 4.09Å; Q398-I403 HydrophobicContact CB-CG2 4.15Å; Q398-I403 VanDerWaalsContact O-CB 3.28Å; Q398-I403 WeakPolarHBondContact O-CB 3.18Å; Q398-I403 VanDerWaalsContact O-CG2 3.31Å; Q398-I403 WeakPolarHBondContact O-CG2 3.3Å; Q398-I403 PolarHBondContact O-N 3.48Å; I403-R405 VanDerWaalsContact C-N 3.31Å; I403-R405 PolarHBondContact O-N 2.84Å; I403-H406 PolarHBondContact O-N 3.03Å; I403-G407 WeakPolarHBondContact O-CA 3.34Å; I403-G407 PolarHBondContact O-N 3.21Å
404	I	98.2	Very high	97.6	Very high	136 Å²	136	60.4 Å²	60.4	70%	0.697	32%	0.322	S	S	*	.	H	α-helix	trans	-57.1	-47.3	175.2	-61.5	174.9	0	0	0	110.8	G402 A408	G402-I404 PolarHBondContact O-N 3.13Å; G402-I404 VanDerWaalsContact O-N 3.11Å; I404-A408 VanDerWaalsContact O-CB 3.26Å; I404-A408 WeakPolarHBondContact O-CB 3.4Å; I404-A408 PolarHBondContact O-N 2.91Å
405	R	98.3	Very high	97.9	Very high	133 Å²	133	56.8 Å²	56.8	50%	0.502	30%	0.302	S	S	.	.	H	α-helix	trans	-71.1	-43.5	179.6	-173.7	178.6	57.4	158.7	-12	111.5	G402 I403 P533 L534	G402-R405 WeakPolarHBondContact O-CB 3.04Å; G402-R405 PolarHBondContact O-N 3.24Å; I403-R405 VanDerWaalsContact C-N 3.31Å; I403-R405 PolarHBondContact O-N 2.84Å; R405-P533 HydrophobicContact CG-CB 3.77Å; R405-L534 VanDerWaalsContact CD-O 3.31Å; R405-L534 WeakPolarHBondContact CD-O 3.42Å; R405-L534 PolarHBondContact NE-O 3.44Å; R405-L534 PolarHBondContact NH1-O 2.67Å
406	H	98.4	Very high	98.2	Very high	19 Å²	19	56.4 Å²	56.4	9%	0.088	29%	0.289	C	S	.	.	H	α-helix	trans	-76.1	-39.7	-175.4	-67.2	-60.3	0	0	0	113	I363 S366 I367 G401 G402 I403 A408 K409	I363-H406 HydrophobicContact CB-CB 4.27Å; I363-H406 HydrophobicContact CG1-CB 4.14Å; I363-H406 HydrophobicContact CG2-CB 3.88Å; S366-H406 VanDerWaalsContact CB-O 3.27Å; S366-H406 WeakPolarHBondContact CB-O 3.27Å; I367-H406 HydrophobicContact CD1-CB 4.47Å; I367-H406 HydrophobicContact CG1-CB 4.36Å; G401-H406 PolarHBondContact O-CD2 3.01Å; G401-H406 PolarHBondContact O-NE2 3.12Å; G402-H406 PolarHBondContact O-CD2 2.86Å; G402-H406 PolarHBondContact O-N 3.36Å; I403-H406 PolarHBondContact O-N 3.03Å; H406-A408 VanDerWaalsContact C-N 3.33Å; H406-A408 PolarHBondContact O-N 3.41Å; H406-K409 WeakPolarHBondContact ND1-CE 3.16Å; H406-K409 PolarHBondContact ND1-NZ 2.84Å; H406-K409 VanDerWaalsContact O-CB 3.28Å; H406-K409 WeakPolarHBondContact O-CB 3.44Å; H406-K409 WeakPolarHBondContact O-CG 3.42Å; H406-K409 PolarHBondContact O-N 3Å
407	G	97.8	Very high	98.3	Very high	4 Å²	4	51.2 Å²	51.2	4%	0.041	26%	0.262	C	S	.	.	H	α-helix	trans	-61.4	-39.5	172.2	0	0	0	0	0	112.5	I403 K409 L410	I403-G407 WeakPolarHBondContact O-CA 3.34Å; I403-G407 PolarHBondContact O-N 3.21Å; G407-K409 PolarHBondContact O-N 2.99Å; G407-K409 VanDerWaalsContact O-N 3.15Å; G407-L410 PolarHBondContact O-N 3.32Å
408	A	98.5	Very high	98.3	Very high	31 Å²	31	46.4 Å²	46.4	26%	0.256	24%	0.238	S	C	.	.	H	α-helix	trans	-61.9	-21.5	176.1	0	0	0	0	0	113.7	I404 H406 L410 I411 F412 P533	I404-A408 VanDerWaalsContact O-CB 3.26Å; I404-A408 WeakPolarHBondContact O-CB 3.4Å; I404-A408 PolarHBondContact O-N 2.91Å; H406-A408 VanDerWaalsContact C-N 3.33Å; H406-A408 PolarHBondContact O-N 3.41Å; A408-L410 VanDerWaalsContact C-N 3.33Å; A408-L410 PolarHBondContact O-N 2.97Å; A408-I411 PolarHBondContact O-N 3.46Å; A408-F412 VanDerWaalsContact O-CB 3.31Å; A408-F412 WeakPolarHBondContact O-CB 3.24Å; A408-F412 PolarHBondContact O-N 3.27Å; A408-P533 HydrophobicContact CB-CG 4.1Å
409	K	98.8	Very high	98.4	Very high	22 Å²	22	45.3 Å²	45.3	10%	0.096	23%	0.234	C	C	.	.	H	α-helix	trans	-62.3	-40.3	176.1	-61.1	-179.7	178.2	-170.8	0	111.9	I367 A370 H406 G407 F412 A413 M532 P533 L534	I367-K409 HydrophobicContact CG1-CD 4.11Å; A370-K409 VanDerWaalsContact CB-C 3.46Å; A370-K409 HydrophobicContact CB-CB 3.63Å; A370-K409 WeakPolarHBondContact CB-O 3.38Å; H406-K409 WeakPolarHBondContact ND1-CE 3.16Å; H406-K409 PolarHBondContact ND1-NZ 2.84Å; H406-K409 VanDerWaalsContact O-CB 3.28Å; H406-K409 WeakPolarHBondContact O-CB 3.44Å; H406-K409 WeakPolarHBondContact O-CG 3.42Å; H406-K409 PolarHBondContact O-N 3Å; G407-K409 PolarHBondContact O-N 2.99Å; G407-K409 VanDerWaalsContact O-N 3.15Å; K409-F412 WeakPolarHBondContact O-CB 3.09Å; K409-F412 PolarHBondContact O-N 3.12Å; K409-A413 WeakPolarHBondContact O-CB 3.18Å; K409-A413 PolarHBondContact O-N 3.46Å; K409-M532 HydrophobicContact CB-CE 4.44Å; K409-M532 HydrophobicContact CG-CE 4.34Å; K409-P533 WeakPolarHBondContact CE-O 3.15Å; K409-P533 HydrophobicContact CG-CB 4.33Å; K409-L534 WeakPolarHBondContact CE-OXT 3.33Å; K409-L534 PolarHBondContact NZ-OXT 2.92Å
410	L	98.7	Very high	98.4	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-71.8	-39.4	-179.6	-175.4	56.5	0	0	0	111.2	I335 L361 A370 V373 G407 A408 F412 A413 Y414 V436 M437	I335-L410 HydrophobicContact CD1-CD2 4.4Å; L361-L410 HydrophobicContact CD1-CD2 4.36Å; L361-L410 HydrophobicContact CD2-CD2 4.13Å; A370-L410 HydrophobicContact CB-CB 4.39Å; V373-L410 HydrophobicContact CG2-CD1 4.23Å; G407-L410 PolarHBondContact O-N 3.32Å; A408-L410 VanDerWaalsContact C-N 3.33Å; A408-L410 PolarHBondContact O-N 2.97Å; L410-F412 VanDerWaalsContact C-N 3.31Å; L410-F412 PolarHBondContact O-N 3.44Å; L410-A413 PolarHBondContact O-N 3.28Å; L410-Y414 HydrophobicContact CD1-CD2 3.83Å; L410-Y414 HydrophobicContact CD1-CE2 3.58Å; L410-Y414 HydrophobicContact CG-CD2 4.06Å; L410-Y414 HydrophobicContact CG-CE2 3.99Å; L410-Y414 WeakPolarHBondContact O-CD2 3.43Å; L410-Y414 PolarHBondContact O-N 3.32Å; L410-Y414 VanDerWaalsContact O-N 3.1Å; L410-V436 HydrophobicContact CB-CG1 3.86Å; L410-V436 HydrophobicContact CD2-CG1 3.62Å; L410-V436 HydrophobicContact CG-CG1 3.59Å; L410-M437 HydrophobicContact CD2-SD 4.15Å
411	I	98.4	Very high	98.4	Very high	67 Å²	67	31.6 Å²	31.6	34%	0.344	18%	0.178	S	C	.	.	H	α-helix	trans	-56.2	-50.4	171.1	-57.1	176.6	0	0	0	109.7	A408 A413 Y414 A415 V436 L442	A408-I411 PolarHBondContact O-N 3.46Å; I411-A413 VanDerWaalsContact C-N 3.34Å; I411-A413 PolarHBondContact O-N 2.94Å; I411-Y414 PolarHBondContact O-N 3.06Å; I411-A415 VanDerWaalsContact O-CB 3.25Å; I411-A415 WeakPolarHBondContact O-CB 3.39Å; I411-A415 PolarHBondContact O-N 2.92Å; I411-V436 HydrophobicContact CD1-CG2 3.69Å; I411-V436 HydrophobicContact CG1-CB 4.05Å; I411-V436 HydrophobicContact CG1-CG1 3.99Å; I411-V436 HydrophobicContact CG1-CG2 3.38Å; I411-L442 HydrophobicContact CG2-CD1 4.25Å; I411-L442 HydrophobicContact CG2-CD2 4.45Å
412	F	98.7	Very high	98.5	Very high	54 Å²	54	30 Å²	30	24%	0.237	16%	0.161	C	C	.	.	H	α-helix	trans	-58.4	-47.3	-179.4	-167.3	-78	0	0	0	111.5	A408 K409 L410 Y414 A415 E416 S530 M532	A408-F412 VanDerWaalsContact O-CB 3.31Å; A408-F412 WeakPolarHBondContact O-CB 3.24Å; A408-F412 PolarHBondContact O-N 3.27Å; K409-F412 WeakPolarHBondContact O-CB 3.09Å; K409-F412 PolarHBondContact O-N 3.12Å; L410-F412 VanDerWaalsContact C-N 3.31Å; L410-F412 PolarHBondContact O-N 3.44Å; F412-Y414 PolarHBondContact O-N 3.38Å; F412-A415 PolarHBondContact O-N 3.45Å; F412-E416 HydrophobicContact CD1-CB 4.36Å; F412-E416 HydrophobicContact CE1-CB 4.14Å; F412-E416 HydrophobicContact CE1-CG 4.42Å; F412-E416 WeakPolarHBondContact CE1-OE1 3.24Å; F412-E416 VanDerWaalsContact O-CB 3.25Å; F412-E416 WeakPolarHBondContact O-CB 3.4Å; F412-E416 PolarHBondContact O-N 3.41Å; F412-S530 WeakPolarHBondContact CE1-OG 3.29Å; F412-S530 WeakPolarHBondContact CZ-OG 3.43Å; F412-M532 HydrophobicContact CD1-CB 3.66Å; F412-M532 HydrophobicContact CD2-CB 4.04Å; F412-M532 HydrophobicContact CE1-CB 3.7Å; F412-M532 HydrophobicContact CE2-CB 4.07Å; F412-M532 HydrophobicContact CG-CB 3.85Å; F412-M532 HydrophobicContact CZ-CB 3.92Å
413	A	98.8	Very high	98.5	Very high	1 Å²	1	29 Å²	29	1%	0.008	15%	0.151	C	C	.	.	H	α-helix	trans	-59.5	-48.3	-178.8	0	0	0	0	0	111.9	A370 V373 R374 K409 L410 I411 A417	A370-A413 HydrophobicContact CB-CB 4.2Å; A370-A413 WeakPolarHBondContact O-CB 3.41Å; V373-A413 HydrophobicContact CB-CB 3.83Å; V373-A413 HydrophobicContact CG1-CB 3.59Å; R374-A413 HydrophobicContact CG-CB 3.69Å; K409-A413 WeakPolarHBondContact O-CB 3.18Å; K409-A413 PolarHBondContact O-N 3.46Å; L410-A413 PolarHBondContact O-N 3.28Å; I411-A413 VanDerWaalsContact C-N 3.34Å; I411-A413 PolarHBondContact O-N 2.94Å; A413-A417 WeakPolarHBondContact O-CB 3.35Å; A413-A417 PolarHBondContact O-N 2.88Å
414	Y	98.8	Very high	98.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-67.9	-39.8	177.7	-81.8	-60.3	0	0	0	113.2	V350 V373 L383 T385 L410 I411 F412 E416 A417 K421 V436	V350-Y414 WeakPolarHBondContact CB-OH 3.27Å; V350-Y414 VanDerWaalsContact CG1-OH 3.28Å; V350-Y414 WeakPolarHBondContact CG1-OH 3.43Å; V373-Y414 HydrophobicContact CG1-CD1 3.99Å; V373-Y414 HydrophobicContact CG1-CE1 4.26Å; V373-Y414 HydrophobicContact CG1-CG 4.33Å; V373-Y414 HydrophobicContact CG2-CD1 4.24Å; V373-Y414 HydrophobicContact CG2-CE1 3.74Å; V373-Y414 HydrophobicContact CG2-CE2 4.12Å; L383-Y414 HydrophobicContact CD1-CD1 4.46Å; L383-Y414 HydrophobicContact CD1-CE1 4.24Å; T385-Y414 PolarHBondContact OG1-OH 3.49Å; T385-Y414 VanDerWaalsContact OG1-OH 3.06Å; L410-Y414 HydrophobicContact CD1-CD2 3.83Å; L410-Y414 HydrophobicContact CD1-CE2 3.58Å; L410-Y414 HydrophobicContact CG-CD2 4.06Å; L410-Y414 HydrophobicContact CG-CE2 3.99Å; L410-Y414 WeakPolarHBondContact O-CD2 3.43Å; L410-Y414 PolarHBondContact O-N 3.32Å; L410-Y414 VanDerWaalsContact O-N 3.1Å; I411-Y414 PolarHBondContact O-N 3.06Å; F412-Y414 PolarHBondContact O-N 3.38Å; Y414-E416 VanDerWaalsContact C-N 3.34Å; Y414-A417 PolarHBondContact O-N 3.36Å; Y414-K421 HydrophobicContact CD1-CD 4.26Å; Y414-K421 PolarHBondContact O-NZ 2.76Å; Y414-V436 WeakPolarHBondContact CD2-O 3.33Å
415	A	98.5	Very high	98.6	Very high	36 Å²	36	22.1 Å²	22.1	30%	0.298	12%	0.116	S	C	.	.	H	α-helix	trans	-67.1	-36.1	179.8	0	0	0	0	0	112.4	I411 F412 L442	I411-A415 VanDerWaalsContact O-CB 3.25Å; I411-A415 WeakPolarHBondContact O-CB 3.39Å; I411-A415 PolarHBondContact O-N 2.92Å; F412-A415 PolarHBondContact O-N 3.45Å; A415-L442 HydrophobicContact CB-CD2 4.12Å
416	E	98.6	Very high	98.6	Very high	31 Å²	31	15.8 Å²	15.8	15%	0.145	9%	0.092	C	C	.	.	H	α-helix	trans	-72.8	-36.5	176.2	-174.3	174.9	-113.1	0	0	111.6	R374 F412 Y414 T418 N524 S530	R374-E416 IonicContact CZ-OE2 3.42Å; R374-E416 IonicContact NE-OE2 3.72Å; R374-E416 PolarHBondContact NE-OE2 3.3Å; R374-E416 IonicContact NH2-OE1 3.73Å; R374-E416 IonicContact NH2-OE2 3.71Å; R374-E416 PolarHBondContact NH2-OE2 2.95Å; F412-E416 HydrophobicContact CD1-CB 4.36Å; F412-E416 HydrophobicContact CE1-CB 4.14Å; F412-E416 HydrophobicContact CE1-CG 4.42Å; F412-E416 WeakPolarHBondContact CE1-OE1 3.24Å; F412-E416 VanDerWaalsContact O-CB 3.25Å; F412-E416 WeakPolarHBondContact O-CB 3.4Å; F412-E416 PolarHBondContact O-N 3.41Å; Y414-E416 VanDerWaalsContact C-N 3.34Å; E416-T418 PolarHBondContact O-N 3.4Å; E416-N524 PolarHBondContact O-ND2 2.93Å; E416-S530 WeakPolarHBondContact OE1-CB 3.41Å; E416-S530 PolarHBondContact OE1-OG 3.39Å
417	A	98.7	Very high	98.5	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.089	C	C	.	.			trans	-58	133.4	-173.4	0	0	0	0	0	113.8	V373 D377 L383 A413 Y414 V419 K421	V373-A417 HydrophobicContact CG1-CB 4.42Å; D377-A417 HydrophobicContact CB-CB 4.01Å; D377-A417 VanDerWaalsContact CG-CA 3.5Å; D377-A417 WeakPolarHBondContact OD1-CA 3.39Å; L383-A417 HydrophobicContact CD1-CB 4.4Å; A413-A417 WeakPolarHBondContact O-CB 3.35Å; A413-A417 PolarHBondContact O-N 2.88Å; Y414-A417 PolarHBondContact O-N 3.36Å; A417-V419 HydrophobicContact CB-CG2 4.41Å; A417-K421 HydrophobicContact CB-CD 4.22Å; A417-K421 PolarHBondContact O-NZ 3.01Å
418	T	98.4	Very high	98.4	Very high	38 Å²	38	16.7 Å²	16.7	23%	0.233	9%	0.094	C	C	.	.			trans	-112.1	-15.7	-178.4	60.3	0	0	0	0	113.5	D377 E416 K520 L522 N524	D377-T418 PolarHBondContact OD1-N 3.4Å; D377-T418 PolarHBondContact OD1-OG1 3.36Å; E416-T418 PolarHBondContact O-N 3.4Å; T418-K520 WeakPolarHBondContact O-CD 3.35Å; T418-K520 WeakPolarHBondContact O-CE 3.48Å; T418-K520 PolarHBondContact O-NZ 3.03Å; T418-L522 HydrophobicContact CG2-CB 4.42Å; T418-L522 HydrophobicContact CG2-CD2 4.29Å; T418-L522 HydrophobicContact CG2-CG 4.26Å; T418-N524 WeakPolarHBondContact CG2-ND2 3.17Å
419	V	98.5	Very high	98.4	Very high	8 Å²	8	15.3 Å²	15.3	5%	0.048	8%	0.082	C	C	.	.	S	Bend	trans	-56.8	161.4	169.6	-69.5	0	0	0	0	112.5	D377 I381 L383 A417 K421 K520	D377-V419 HydrophobicContact CB-CG2 4.24Å; D377-V419 PolarHBondContact OD1-N 3.34Å; I381-V419 WeakPolarHBondContact O-CG2 3.33Å; L383-V419 HydrophobicContact CD1-CG2 3.98Å; L383-V419 HydrophobicContact CG-CG2 4.23Å; A417-V419 HydrophobicContact CB-CG2 4.41Å; V419-K421 PolarHBondContact O-N 2.95Å; V419-K520 PolarHBondContact O-NZ 3.02Å
420	P	98.5	Very high	98.2	Very high	16 Å²	16	15.4 Å²	15.4	10%	0.104	8%	0.082	C	C	.	.			trans	-53.6	132.4	169.9	-27.5	37.3	0	0	0	111.7	P382 L383 L422 D445 L517 K520	P382-P420 WeakPolarHBondContact CA-O 3.28Å; P382-P420 HydrophobicContact CB-CB 4.09Å; P382-P420 HydrophobicContact CB-CG 4.48Å; P382-P420 HydrophobicContact CG-CB 4.44Å; P382-P420 HydrophobicContact CG-CG 4.31Å; L383-P420 PolarHBondContact N-O 2.99Å; P420-L422 HydrophobicContact CB-CD1 4.31Å; P420-D445 WeakPolarHBondContact CA-OD2 3.3Å; P420-L517 HydrophobicContact CB-CB 3.75Å; P420-L517 HydrophobicContact CB-CD1 4.09Å; P420-L517 HydrophobicContact CG-CB 3.87Å; P420-L517 WeakPolarHBondContact CG-O 3.01Å; P420-K520 HydrophobicContact CG-CB 4.41Å; P420-K520 HydrophobicContact CG-CD 4.35Å
421	K	98.7	Very high	98	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	114	-179.8	-75	-178.1	-70.5	-176.1	0	109.4	L383 Y414 A417 V419 L442 R443 D445 I446	L383-K421 HydrophobicContact CB-CG 4.24Å; L383-K421 HydrophobicContact CD1-CG 4.31Å; L383-K421 WeakPolarHBondContact O-CA 3.39Å; Y414-K421 HydrophobicContact CD1-CD 4.26Å; Y414-K421 PolarHBondContact O-NZ 2.76Å; A417-K421 HydrophobicContact CB-CD 4.22Å; A417-K421 PolarHBondContact O-NZ 3.01Å; V419-K421 PolarHBondContact O-N 2.95Å; K421-L442 PolarHBondContact NZ-O 3.4Å; K421-R443 WeakPolarHBondContact CE-O 3.38Å; K421-R443 PolarHBondContact NZ-O 3.01Å; K421-D445 PolarHBondContact N-OD2 3.07Å; K421-D445 WeakPolarHBondContact O-CB 3.19Å; K421-D445 PolarHBondContact O-N 3.04Å; K421-I446 PolarHBondContact O-N 3.36Å
422	L	98.8	Very high	97.8	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	127	177.7	-56.7	89.6	0	0	0	108.6	L383 I384 T385 P420 I446 L510 D513 L514 L517	L383-L422 PolarHBondContact O-N 3.06Å; I384-L422 CarbonylContact C-O 3.48Å; I384-L422 WeakPolarHBondContact CA-O 3.32Å; I384-L422 HydrophobicContact CD1-CB 3.86Å; I384-L422 HydrophobicContact CD1-CD1 3.76Å; I384-L422 HydrophobicContact CD1-CG 4.26Å; T385-L422 PolarHBondContact N-O 3.22Å; P420-L422 HydrophobicContact CB-CD1 4.31Å; L422-I446 WeakPolarHBondContact CA-O 3.34Å; L422-L510 HydrophobicContact CB-CD2 3.88Å; L422-L510 HydrophobicContact CD2-CD2 3.81Å; L422-L510 HydrophobicContact CG-CD2 4.47Å; L422-D513 HydrophobicContact CD2-CB 3.29Å; L422-L514 HydrophobicContact CD1-CD2 3.71Å; L422-L514 HydrophobicContact CD1-CG 4.24Å; L422-L514 HydrophobicContact CD2-CG 4.48Å; L422-L517 HydrophobicContact CD1-CD1 4.02Å; L422-L517 HydrophobicContact CD2-CD1 4.38Å; L422-L517 HydrophobicContact CG-CD1 4.11Å
423	T	98.9	Very high	97.7	Very high	2 Å²	2	12.9 Å²	12.9	1%	0.012	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	134.9	-175.8	-58	0	0	0	0	109.6	T385 V387 S438 I446 N447 Y448	T385-T423 HydrophobicContact CG2-CG2 4.42Å; T385-T423 CarbonylContact O-C 3.56Å; T385-T423 WeakPolarHBondContact O-CA 3.47Å; V387-T423 HydrophobicContact CG2-CG2 3.61Å; T423-S438 WeakPolarHBondContact OG1-CB 3.43Å; T423-S438 PolarHBondContact OG1-O 2.95Å; T423-S438 PolarHBondContact OG1-OG 2.9Å; T423-S438 VanDerWaalsContact OG1-OG 3.07Å; T423-I446 PolarHBondContact N-O 2.78Å; T423-N447 WeakPolarHBondContact CB-ND2 3.28Å; T423-N447 CarbonylContact O-C 3.55Å; T423-N447 WeakPolarHBondContact O-CA 3.32Å; T423-Y448 PolarHBondContact O-N 3.35Å
424	I	98.8	Very high	97.6	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	117.2	172.1	-54.4	94	0	0	0	108.6	I384 T385 L386 V387 I426 Y448 W450 T506 L510	I384-I424 HydrophobicContact CG2-CD1 4.15Å; T385-I424 PolarHBondContact O-N 3.11Å; L386-I424 HydrophobicContact CD2-CB 4.1Å; L386-I424 HydrophobicContact CD2-CD1 3.68Å; L386-I424 HydrophobicContact CD2-CG1 4.42Å; V387-I424 PolarHBondContact N-O 3.4Å; I424-I426 HydrophobicContact CB-CD1 4.27Å; I424-I426 HydrophobicContact CG2-CD1 3.68Å; I424-I426 PolarHBondContact O-N 2.97Å; I424-Y448 WeakPolarHBondContact CA-O 3.33Å; I424-Y448 HydrophobicContact CG1-CD2 4.47Å; I424-W450 HydrophobicContact CG2-CG 4.48Å; I424-T506 HydrophobicContact CD1-CG2 4.45Å; I424-T506 HydrophobicContact CG1-CG2 4.33Å; I424-L510 HydrophobicContact CD1-CD1 4.1Å; I424-L510 HydrophobicContact CD1-CD2 3.73Å; I424-L510 HydrophobicContact CD1-CG 4.2Å
425	V	98.6	Very high	97.6	Very high	3 Å²	3	16.9 Å²	16.9	2%	0.018	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	110	169.5	-172.6	0	0	0	0	108.7	V387 Y448 A449 W450 A453 I455 I497	V387-V425 HydrophobicContact CB-CG2 4.36Å; V425-Y448 PolarHBondContact N-O 3.2Å; V425-A449 HydrophobicContact CB-CB 4.34Å; V425-A449 WeakPolarHBondContact O-CA 3.27Å; V425-W450 PolarHBondContact O-N 3.35Å; V425-A453 HydrophobicContact CB-CB 4.08Å; V425-A453 HydrophobicContact CG1-CB 3.7Å; V425-I455 HydrophobicContact CG1-CD1 4.46Å; V425-I455 HydrophobicContact CG1-CG1 4.24Å; V425-I455 HydrophobicContact CG2-CD1 4.29Å; V425-I497 HydrophobicContact CG2-CD1 4.17Å
426	I	98.4	Very high	97.5	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	-49.2	-176.7	-56.2	-62.9	0	0	0	110	V301 Y309 M311 I314 L386 V387 I424 W450 T452	V301-I426 HydrophobicContact CG2-CG2 3.65Å; Y309-I426 HydrophobicContact CE2-CG2 4.43Å; Y309-I426 VanDerWaalsContact OH-CG2 3.25Å; Y309-I426 WeakPolarHBondContact OH-CG2 3.46Å; M311-I426 HydrophobicContact CE-CB 4.37Å; M311-I426 HydrophobicContact CE-CG1 4.13Å; M311-I426 HydrophobicContact CE-CG2 4.47Å; M311-I426 HydrophobicContact SD-CG1 4.43Å; I314-I426 HydrophobicContact CD1-CG2 3.92Å; L386-I426 HydrophobicContact CB-CG1 4.37Å; V387-I426 PolarHBondContact O-N 2.66Å; I424-I426 HydrophobicContact CB-CD1 4.27Å; I424-I426 HydrophobicContact CG2-CD1 3.68Å; I424-I426 PolarHBondContact O-N 2.97Å; I426-W450 HydrophobicContact CB-CE3 4.49Å; I426-W450 HydrophobicContact CD1-CD2 3.79Å; I426-W450 HydrophobicContact CD1-CE3 4.11Å; I426-W450 HydrophobicContact CD1-CG 4.39Å; I426-W450 HydrophobicContact CD1-CH2 4Å; I426-W450 HydrophobicContact CD1-CZ2 3.67Å; I426-W450 HydrophobicContact CD1-CZ3 4.21Å; I426-W450 HydrophobicContact CG2-CD2 4.32Å; I426-W450 HydrophobicContact CG2-CE3 3.68Å; I426-W450 HydrophobicContact CG2-CH2 4.42Å; I426-W450 HydrophobicContact CG2-CZ3 3.74Å; I426-T452 PolarHBondContact O-OG1 3.05Å
427	R	97.1	Very high	97.5	Very high	10 Å²	10	13.9 Å²	13.9	4%	0.038	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	-93.5	179.9	-169	-178.5	55.1	-179.6	-4.7	111.7	V301 S307 V387 D388 A453 E454	V301-R427 HydrophobicContact CG1-CB 4.37Å; V301-R427 HydrophobicContact CG1-CG 4.28Å; S307-R427 PolarHBondContact O-NH1 3.27Å; V387-R427 PolarHBondContact O-N 2.64Å; D388-R427 HydrophobicContact CB-CB 4.48Å; D388-R427 IonicContact OD1-NE 3.43Å; D388-R427 PolarHBondContact OD1-NE 2.78Å; D388-R427 IonicContact OD1-NH2 2.79Å; D388-R427 IonicContact OD2-CZ 2.93Å; D388-R427 VanDerWaalsContact OD2-CZ 3.27Å; D388-R427 IonicContact OD2-NE 2.64Å; D388-R427 PolarHBondContact OD2-NE 2.62Å; D388-R427 IonicContact OD2-NH2 3.15Å; D388-R427 PolarHBondContact OD2-NH2 3.14Å; R427-A453 CarbonylContact O-C 3.49Å; R427-A453 VanDerWaalsContact O-CA 3.27Å; R427-A453 WeakPolarHBondContact O-CA 3.26Å; R427-E454 PolarHBondContact O-N 3.49Å
428	K	96.1	Very high	97.5	Very high	31 Å²	31	13.9 Å²	13.9	14%	0.135	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	136.2	-172.5	-58.9	171.5	-172.6	166.3	0	111.2	P305 D388 V389 P390 Y430	P305-K428 WeakPolarHBondContact O-CE 3.3Å; P305-K428 PolarHBondContact O-NZ 3.5Å; D388-K428 CarbonylContact C-O 3.57Å; D388-K428 VanDerWaalsContact CA-O 3.29Å; D388-K428 WeakPolarHBondContact CA-O 3.39Å; D388-K428 VanDerWaalsContact OD1-CB 3.28Å; D388-K428 WeakPolarHBondContact OD1-CB 3.46Å; D388-K428 WeakPolarHBondContact OD1-CG 3.32Å; D388-K428 PolarHBondContact OD1-N 3.38Å; V389-K428 PolarHBondContact N-O 2.93Å; V389-K428 CarbonylContact O-C 3.58Å; P390-K428 HydrophobicContact CB-CD 4.16Å; K428-Y430 HydrophobicContact CB-CD2 4.46Å; K428-Y430 HydrophobicContact CB-CE2 4.02Å; K428-Y430 HydrophobicContact CD-CE2 4.16Å; K428-Y430 HydrophobicContact CG-CE2 4.05Å
429	S	97.1	Very high	97.5	Very high	2 Å²	2	12.2 Å²	12.2	1%	0.014	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	89.1	167.6	-155	0	0	0	0	110	V387 Y434 E454 I455 A456	V387-S429 WeakPolarHBondContact CG1-OG 3.32Å; S429-Y434 WeakPolarHBondContact OG-CA 3.43Å; S429-Y434 WeakPolarHBondContact OG-CB 3.43Å; S429-Y434 WeakPolarHBondContact OG-CD2 3.31Å; S429-E454 PolarHBondContact N-O 3.12Å; S429-I455 WeakPolarHBondContact O-CA 3.21Å; S429-A456 PolarHBondContact O-N 2.85Å
430	Y	95.6	Very high	97.5	Very high	25 Å²	25	14.5 Å²	14.5	10%	0.098	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	142.2	-172.8	-53.4	-36.3	0	0	0	114.3	V389 P390 K428 A433 Y434 E454 A456	V389-Y430 PolarHBondContact O-N 3.49Å; P390-Y430 HydrophobicContact CB-CD2 4.18Å; P390-Y430 HydrophobicContact CB-CE2 4.42Å; P390-Y430 WeakPolarHBondContact O-CD2 3.34Å; K428-Y430 HydrophobicContact CB-CD2 4.46Å; K428-Y430 HydrophobicContact CB-CE2 4.02Å; K428-Y430 HydrophobicContact CD-CE2 4.16Å; K428-Y430 HydrophobicContact CG-CE2 4.05Å; Y430-A433 PolarHBondContact O-N 2.88Å; Y430-A433 VanDerWaalsContact O-N 3.15Å; Y430-Y434 PolarHBondContact O-N 3.44Å; Y430-E454 HydrophobicContact CE1-CB 3.84Å; Y430-E454 WeakPolarHBondContact CE1-O 3.39Å; Y430-E454 PolarHBondContact OH-OE2 3.21Å; Y430-A456 CarbonylContact C-O 3.22Å; Y430-A456 VanDerWaalsContact CA-O 3.27Å; Y430-A456 WeakPolarHBondContact CA-O 3.41Å; Y430-A456 HydrophobicContact CD1-CB 4.07Å; Y430-A456 HydrophobicContact CE1-CB 4.34Å
431	G	94	Very high	97.4	Very high	22 Å²	22	18.4 Å²	18.4	23%	0.227	11%	0.107	C	C	.	.	H	α-helix	trans	54.4	-135	163.8	0	0	0	0	0	114.4	A433 Y434 C435 A456 V457	G431-A433 PolarHBondContact O-N 2.77Å; G431-Y434 WeakPolarHBondContact O-CB 3.25Å; G431-Y434 PolarHBondContact O-N 2.75Å; G431-C435 PolarHBondContact O-N 2.78Å; G431-A456 PolarHBondContact N-O 3.36Å; G431-V457 WeakPolarHBondContact CA-O 3.45Å; G431-V457 PolarHBondContact N-O 3.25Å
432	G	94.2	Very high	97.4	Very high	45 Å²	45	19.7 Å²	19.7	46%	0.464	11%	0.114	S	C	.	.	H	α-helix	trans	-61.4	-28.6	179.2	0	0	0	0	0	113.5	C435 V436	G432-C435 WeakPolarHBondContact O-CB 3.49Å; G432-C435 PolarHBondContact O-N 2.81Å; G432-V436 WeakPolarHBondContact O-CG2 3.45Å; G432-V436 PolarHBondContact O-N 3.19Å; G432-V436 VanDerWaalsContact O-N 3.11Å
433	A	96.5	Very high	97.3	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-72.2	-35.1	179.9	0	0	0	0	0	112.5	L361 V389 F392 Y430 G431 C435 V436 M437	L361-A433 HydrophobicContact CD1-CB 4.28Å; V389-A433 HydrophobicContact CB-CB 4.22Å; V389-A433 HydrophobicContact CG1-CB 3.65Å; V389-A433 HydrophobicContact CG2-CB 3.5Å; V389-A433 VanDerWaalsContact CG2-CB 3.5Å; F392-A433 HydrophobicContact CE2-CB 4.43Å; Y430-A433 PolarHBondContact O-N 2.88Å; Y430-A433 VanDerWaalsContact O-N 3.15Å; G431-A433 PolarHBondContact O-N 2.77Å; A433-C435 VanDerWaalsContact C-N 3.29Å; A433-C435 PolarHBondContact O-N 3.22Å; A433-V436 PolarHBondContact O-N 3.26Å; A433-M437 WeakPolarHBondContact O-CG 3.36Å; A433-M437 PolarHBondContact O-N 2.89Å
434	Y	97.5	Very high	97.2	Very high	27 Å²	27	25.2 Å²	25.2	11%	0.106	14%	0.136	C	C	.	.	H	α-helix	trans	-54.1	-48	166.9	159.4	-97.2	0	0	0	110.9	S429 Y430 G431 V436 M437 S439 H441 I455	S429-Y434 WeakPolarHBondContact OG-CA 3.43Å; S429-Y434 WeakPolarHBondContact OG-CB 3.43Å; S429-Y434 WeakPolarHBondContact OG-CD2 3.31Å; Y430-Y434 PolarHBondContact O-N 3.44Å; G431-Y434 WeakPolarHBondContact O-CB 3.25Å; G431-Y434 PolarHBondContact O-N 2.75Å; Y434-V436 VanDerWaalsContact C-N 3.29Å; Y434-V436 PolarHBondContact O-N 3.34Å; Y434-M437 PolarHBondContact O-N 3.04Å; Y434-S439 WeakPolarHBondContact O-CB 3.44Å; Y434-H441 PolarHBondContact OH-NE2 2.94Å; Y434-I455 HydrophobicContact CD2-CG2 3.79Å; Y434-I455 HydrophobicContact CE2-CG2 3.82Å; Y434-I455 HydrophobicContact CG-CG2 4.43Å
435	C	97.4	Very high	97.2	Very high	59 Å²	59	27 Å²	27	40%	0.399	15%	0.146	S	C	.	.	H	α-helix	trans	-59.1	-42.9	179.8	-60.8	0	0	0	0	111.6	G431 G432 A433 S439 L442	G431-C435 PolarHBondContact O-N 2.78Å; G432-C435 WeakPolarHBondContact O-CB 3.49Å; G432-C435 PolarHBondContact O-N 2.81Å; A433-C435 VanDerWaalsContact C-N 3.29Å; A433-C435 PolarHBondContact O-N 3.22Å; C435-S439 PolarHBondContact O-OG 2.82Å; C435-L442 WeakPolarHBondContact O-CD1 3.27Å; C435-L442 WeakPolarHBondContact O-CG 3.35Å
436	V	97.8	Very high	97.2	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.006	15%	0.153	C	C	.	.	H	α-helix	trans	-69.4	-41.1	-175.5	178.9	0	0	0	0	112.6	L361 F392 L410 I411 Y414 G432 A433 Y434 S438	L361-V436 HydrophobicContact CD1-CB 4.21Å; L361-V436 HydrophobicContact CD1-CG1 3.94Å; F392-V436 HydrophobicContact CE2-CG2 3.97Å; F392-V436 HydrophobicContact CZ-CG2 3.71Å; L410-V436 HydrophobicContact CB-CG1 3.86Å; L410-V436 HydrophobicContact CD2-CG1 3.62Å; L410-V436 HydrophobicContact CG-CG1 3.59Å; I411-V436 HydrophobicContact CD1-CG2 3.69Å; I411-V436 HydrophobicContact CG1-CB 4.05Å; I411-V436 HydrophobicContact CG1-CG1 3.99Å; I411-V436 HydrophobicContact CG1-CG2 3.38Å; Y414-V436 WeakPolarHBondContact CD2-O 3.33Å; G432-V436 WeakPolarHBondContact O-CG2 3.45Å; G432-V436 PolarHBondContact O-N 3.19Å; G432-V436 VanDerWaalsContact O-N 3.11Å; A433-V436 PolarHBondContact O-N 3.26Å; Y434-V436 VanDerWaalsContact C-N 3.29Å; Y434-V436 PolarHBondContact O-N 3.34Å; V436-S438 PolarHBondContact O-N 2.62Å
437	M	98.5	Very high	97.2	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.015	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	62.7	-170.4	-67.9	-57.2	-62.1	0	0	112.9	V350 N352 L361 T385 V387 V389 L410 A433 Y434 S439	V350-M437 HydrophobicContact CG1-CE 4.25Å; N352-M437 WeakPolarHBondContact OD1-CE 3.21Å; L361-M437 HydrophobicContact CD1-CG 4.29Å; L361-M437 HydrophobicContact CD1-SD 4.03Å; L361-M437 HydrophobicContact CD2-SD 4.17Å; T385-M437 HydrophobicContact CG2-CB 4.48Å; T385-M437 HydrophobicContact CG2-CE 3.66Å; V387-M437 HydrophobicContact CG1-CB 3.97Å; V387-M437 HydrophobicContact CG1-CG 4.35Å; V387-M437 HydrophobicContact CG2-CB 3.85Å; V389-M437 HydrophobicContact CG1-CG 3.92Å; L410-M437 HydrophobicContact CD2-SD 4.15Å; A433-M437 WeakPolarHBondContact O-CG 3.36Å; A433-M437 PolarHBondContact O-N 2.89Å; Y434-M437 PolarHBondContact O-N 3.04Å; M437-S439 VanDerWaalsContact C-N 3.33Å; M437-S439 PolarHBondContact O-N 2.78Å
438	S	98.3	Very high	97.2	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	46.2	175.1	-166.1	0	0	0	0	113.4	T385 T423 V436 N447	T385-S438 WeakPolarHBondContact OG1-CB 3.18Å; T423-S438 WeakPolarHBondContact OG1-CB 3.43Å; T423-S438 PolarHBondContact OG1-O 2.95Å; T423-S438 PolarHBondContact OG1-OG 2.9Å; T423-S438 VanDerWaalsContact OG1-OG 3.07Å; V436-S438 PolarHBondContact O-N 2.62Å; S438-N447 PolarHBondContact O-ND2 3.03Å; S438-N447 VanDerWaalsContact O-ND2 3.11Å
439	S	98	Very high	97.4	Very high	3 Å²	3	27.6 Å²	27.6	2%	0.021	15%	0.149	C	C	.	.			trans	-62.6	158.3	174.5	63.5	0	0	0	0	111.8	Y434 C435 M437 H441 L442 G444	Y434-S439 WeakPolarHBondContact O-CB 3.44Å; C435-S439 PolarHBondContact O-OG 2.82Å; M437-S439 VanDerWaalsContact C-N 3.33Å; M437-S439 PolarHBondContact O-N 2.78Å; S439-H441 PolarHBondContact O-N 2.81Å; S439-H441 VanDerWaalsContact O-N 3.08Å; S439-L442 WeakPolarHBondContact O-CA 3.32Å; S439-L442 PolarHBondContact O-N 3.31Å; S439-G444 PolarHBondContact O-N 3.25Å
440	K	98.1	Very high	97.4	Very high	55 Å²	55	27.5 Å²	27.5	24%	0.239	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-51.3	-35.5	173.4	-165.5	71.5	169.7	-168.2	0	112.2	L442 R443 D445 N447 Y496 D498	K440-L442 VanDerWaalsContact C-N 3.28Å; K440-L442 PolarHBondContact O-N 2.9Å; K440-R443 WeakPolarHBondContact O-CA 3.45Å; K440-R443 PolarHBondContact O-N 2.75Å; K440-D445 PolarHBondContact NZ-O 3.05Å; K440-N447 WeakPolarHBondContact CA-OD1 3.44Å; K440-N447 WeakPolarHBondContact CD-OD1 3.12Å; K440-N447 PolarHBondContact N-ND2 3.43Å; K440-Y496 WeakPolarHBondContact CB-O 3.35Å; K440-D498 IonicContact NZ-OD1 3.53Å; K440-D498 PolarHBondContact NZ-OD1 2.88Å; K440-D498 IonicContact NZ-OD2 2.84Å; K440-D498 PolarHBondContact NZ-OD2 2.96Å
441	H	98	Very high	97.5	Very high	99 Å²	99	29.8 Å²	29.8	46%	0.458	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-68.8	-24.6	179.9	-48.6	-38.5	0	0	0	113.5	Y434 S439 R443 Y496	Y434-H441 PolarHBondContact OH-NE2 2.94Å; S439-H441 PolarHBondContact O-N 2.81Å; S439-H441 VanDerWaalsContact O-N 3.08Å; H441-R443 PolarHBondContact O-N 3.37Å; H441-Y496 AromaticContact CE1-CD1 3.47Å; H441-Y496 VanDerWaalsContact CE1-CD1 3.47Å; H441-Y496 WeakPolarHBondContact CE1-CD1 3.46Å; H441-Y496 AromaticContact CE1-CD2 3.93Å; H441-Y496 AromaticContact CE1-CE1 3.6Å; H441-Y496 AromaticContact CE1-CG 3.64Å; H441-Y496 AromaticContact CE1-CZ 3.87Å; H441-Y496 AromaticContact NE2-CD2 3.78Å; H441-Y496 AromaticContact NE2-CE2 3.91Å; H441-Y496 AromaticContact NE2-CG 3.89Å
442	L	97.7	Very high	97.6	Very high	27 Å²	27	31.2 Å²	31.2	14%	0.141	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-89.3	29.1	169	-60.2	-169.1	0	0	0	111.9	I411 A415 K421 C435 S439 K440	I411-L442 HydrophobicContact CG2-CD1 4.25Å; I411-L442 HydrophobicContact CG2-CD2 4.45Å; A415-L442 HydrophobicContact CB-CD2 4.12Å; K421-L442 PolarHBondContact NZ-O 3.4Å; C435-L442 WeakPolarHBondContact O-CD1 3.27Å; C435-L442 WeakPolarHBondContact O-CG 3.35Å; S439-L442 WeakPolarHBondContact O-CA 3.32Å; S439-L442 PolarHBondContact O-N 3.31Å; K440-L442 VanDerWaalsContact C-N 3.28Å; K440-L442 PolarHBondContact O-N 2.9Å
443	R	96.1	Very high	97.7	Very high	112 Å²	112	29.1 Å²	29.1	42%	0.423	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	38.8	179.5	-48.1	171	178.9	169.5	-5.6	113	K421 K440 H441 D445 N524	K421-R443 WeakPolarHBondContact CE-O 3.38Å; K421-R443 PolarHBondContact NZ-O 3.01Å; K440-R443 WeakPolarHBondContact O-CA 3.45Å; K440-R443 PolarHBondContact O-N 2.75Å; H441-R443 PolarHBondContact O-N 3.37Å; R443-D445 PolarHBondContact O-N 2.87Å; R443-N524 PolarHBondContact NH1-OD1 2.84Å
444	G	97.4	Very high	97.7	Very high	6 Å²	6	30.9 Å²	30.9	6%	0.062	16%	0.157	C	C	.	.			trans	-58.9	132.1	164.4	0	0	0	0	0	109.3	S439	S439-G444 PolarHBondContact O-N 3.25Å
445	D	98.4	Very high	97.6	Very high	38 Å²	38	30.4 Å²	30.4	20%	0.203	16%	0.156	C	C	.	.	S	Bend	trans	-75.1	-51.8	179.9	-59.3	-69.7	0	0	0	109.3	P420 K421 K440 R443 L517 K520	P420-D445 WeakPolarHBondContact CA-OD2 3.3Å; K421-D445 PolarHBondContact N-OD2 3.07Å; K421-D445 WeakPolarHBondContact O-CB 3.19Å; K421-D445 PolarHBondContact O-N 3.04Å; K440-D445 PolarHBondContact NZ-O 3.05Å; R443-D445 PolarHBondContact O-N 2.87Å; D445-L517 HydrophobicContact CB-CD1 3.74Å; D445-L517 HydrophobicContact CB-CD2 3.88Å; D445-L517 HydrophobicContact CB-CG 4.5Å; D445-K520 WeakPolarHBondContact OD1-CD 3.5Å; D445-K520 WeakPolarHBondContact OD1-CE 3.42Å; D445-K520 IonicContact OD1-NZ 2.77Å; D445-K520 PolarHBondContact OD1-NZ 2.9Å; D445-K520 IonicContact OD2-NZ 3.8Å; D445-K520 PolarHBondContact OD2-NZ 3.36Å
446	I	98.3	Very high	97.5	Very high	31 Å²	31	28.5 Å²	28.5	16%	0.159	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	128.5	178.1	-54.2	-65	0	0	0	109.4	K421 L422 T423 Y448 D498 D513 L517	K421-I446 PolarHBondContact O-N 3.36Å; L422-I446 WeakPolarHBondContact CA-O 3.34Å; T423-I446 PolarHBondContact N-O 2.78Å; I446-Y448 HydrophobicContact CG2-CD1 4.27Å; I446-Y448 HydrophobicContact CG2-CD2 3.84Å; I446-Y448 HydrophobicContact CG2-CE1 3.85Å; I446-Y448 HydrophobicContact CG2-CE2 3.38Å; I446-Y448 HydrophobicContact CG2-CG 4.28Å; I446-D498 WeakPolarHBondContact CA-OD2 3.14Å; I446-D513 HydrophobicContact CG1-CB 4.36Å; I446-L517 HydrophobicContact CG1-CD1 4.29Å
447	N	98.6	Very high	97.3	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.016	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	105.7	178.4	-74.2	83.5	0	0	0	108.9	T423 S438 K440 I497 D498	T423-N447 WeakPolarHBondContact CB-ND2 3.28Å; T423-N447 CarbonylContact O-C 3.55Å; T423-N447 WeakPolarHBondContact O-CA 3.32Å; S438-N447 PolarHBondContact O-ND2 3.03Å; S438-N447 VanDerWaalsContact O-ND2 3.11Å; K440-N447 WeakPolarHBondContact CA-OD1 3.44Å; K440-N447 WeakPolarHBondContact CD-OD1 3.12Å; K440-N447 PolarHBondContact N-ND2 3.43Å; N447-I497 HydrophobicContact CB-CD1 4.16Å; N447-I497 CarbonylContact O-C 3.51Å; N447-I497 WeakPolarHBondContact O-CA 3.32Å; N447-I497 WeakPolarHBondContact O-CG2 3.45Å; N447-D498 PolarHBondContact N-OD2 3.24Å; N447-D498 PolarHBondContact O-N 2.97Å
448	Y	98.7	Very high	97	Very high	21 Å²	21	36.4 Å²	36.4	8%	0.082	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	160	172.9	-65.3	-53.6	0	0	0	112	T423 I424 V425 I446 D499 I501 R509 D513	T423-Y448 PolarHBondContact O-N 3.35Å; I424-Y448 WeakPolarHBondContact CA-O 3.33Å; I424-Y448 HydrophobicContact CG1-CD2 4.47Å; V425-Y448 PolarHBondContact N-O 3.2Å; I446-Y448 HydrophobicContact CG2-CD1 4.27Å; I446-Y448 HydrophobicContact CG2-CD2 3.84Å; I446-Y448 HydrophobicContact CG2-CE1 3.85Å; I446-Y448 HydrophobicContact CG2-CE2 3.38Å; I446-Y448 HydrophobicContact CG2-CG 4.28Å; Y448-D499 WeakPolarHBondContact CA-O 3.35Å; Y448-D499 HydrophobicContact CD1-CB 3.8Å; Y448-D499 HydrophobicContact CE1-CB 3.77Å; Y448-I501 HydrophobicContact CD1-CG2 3.79Å; Y448-I501 HydrophobicContact CD2-CD1 4.08Å; Y448-I501 HydrophobicContact CE1-CG2 4.06Å; Y448-I501 HydrophobicContact CG-CD1 3.98Å; Y448-I501 HydrophobicContact CG-CG1 4.46Å; Y448-I501 HydrophobicContact CG-CG2 4.27Å; Y448-R509 HydrophobicContact CD2-CB 4.49Å; Y448-R509 HydrophobicContact CE2-CB 3.77Å; Y448-R509 HydrophobicContact CE2-CG 4.42Å; Y448-D513 WeakPolarHBondContact CE2-OD2 3.44Å; Y448-D513 PolarHBondContact OH-OD2 3.37Å
449	A	98.5	Very high	96.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	143.9	167.2	0	0	0	0	0	110.2	V425 A453 P488 I497 D499 I500 I501	V425-A449 HydrophobicContact CB-CB 4.34Å; V425-A449 WeakPolarHBondContact O-CA 3.27Å; A449-A453 HydrophobicContact CB-CB 3.78Å; A449-P488 HydrophobicContact CB-CB 3.96Å; A449-I497 HydrophobicContact CB-CG1 4.47Å; A449-I497 HydrophobicContact CB-CG2 3.79Å; A449-D499 PolarHBondContact N-O 3.13Å; A449-D499 VanDerWaalsContact N-O 3.11Å; A449-I500 CarbonylContact O-C 3.55Å; A449-I500 VanDerWaalsContact O-CA 3.31Å; A449-I500 WeakPolarHBondContact O-CA 3.42Å; A449-I501 PolarHBondContact O-N 3.28Å
450	W	98.3	Very high	96.1	Very high	1 Å²	1	38.3 Å²	38.3	0%	0.004	21%	0.208	C	C	.	.			trans	-78.3	162	163.4	-74	4.9	0	0	0	110.3	L297 I300 V301 I314 I424 V425 I426 T452 A453 P503 T506	L297-W450 HydrophobicContact CB-CH2 3.88Å; L297-W450 HydrophobicContact CB-CZ2 4.19Å; L297-W450 HydrophobicContact CD1-CH2 4.48Å; L297-W450 HydrophobicContact CD1-CZ2 4.22Å; L297-W450 HydrophobicContact CD2-CH2 4.22Å; L297-W450 HydrophobicContact CG-CH2 4.41Å; I300-W450 HydrophobicContact CG2-CH2 4.11Å; I300-W450 HydrophobicContact CG2-CZ3 3.86Å; V301-W450 HydrophobicContact CG2-CE3 3.98Å; V301-W450 HydrophobicContact CG2-CZ3 3.77Å; I314-W450 HydrophobicContact CD1-CH2 3.84Å; I314-W450 HydrophobicContact CD1-CZ3 4.07Å; I314-W450 HydrophobicContact CG1-CH2 4.35Å; I314-W450 HydrophobicContact CG2-CH2 4.24Å; I314-W450 HydrophobicContact CG2-CZ2 4.48Å; I424-W450 HydrophobicContact CG2-CG 4.48Å; V425-W450 PolarHBondContact O-N 3.35Å; I426-W450 HydrophobicContact CB-CE3 4.49Å; I426-W450 HydrophobicContact CD1-CD2 3.79Å; I426-W450 HydrophobicContact CD1-CE3 4.11Å; I426-W450 HydrophobicContact CD1-CG 4.39Å; I426-W450 HydrophobicContact CD1-CH2 4Å; I426-W450 HydrophobicContact CD1-CZ2 3.67Å; I426-W450 HydrophobicContact CD1-CZ3 4.21Å; I426-W450 HydrophobicContact CG2-CD2 4.32Å; I426-W450 HydrophobicContact CG2-CE3 3.68Å; I426-W450 HydrophobicContact CG2-CH2 4.42Å; I426-W450 HydrophobicContact CG2-CZ3 3.74Å; W450-T452 PolarHBondContact O-N 3.26Å; W450-T452 VanDerWaalsContact O-N 3.14Å; W450-A453 WeakPolarHBondContact O-CB 2.97Å; W450-A453 PolarHBondContact O-N 3.33Å; W450-P503 HydrophobicContact CB-CG 4.42Å; W450-P503 HydrophobicContact CD2-CB 3.71Å; W450-P503 HydrophobicContact CD2-CG 3.69Å; W450-P503 HydrophobicContact CE3-CB 3.83Å; W450-P503 HydrophobicContact CE3-CG 3.77Å; W450-P503 HydrophobicContact CG-CB 4.35Å; W450-P503 HydrophobicContact CG-CG 3.99Å; W450-P503 HydrophobicContact CH2-CB 3.86Å; W450-P503 HydrophobicContact CZ2-CB 3.72Å; W450-P503 HydrophobicContact CZ3-CB 3.9Å; W450-P503 HydrophobicContact CZ3-CG 4.27Å; W450-T506 PolarHBondContact NE1-OG1 3.44Å
451	P	96.7	Very high	95.6	Very high	72 Å²	72	41.9 Å²	41.9	47%	0.468	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-25.6	176.3	-24.8	35.8	0	0	0	113.4	A453 I500 I501	P451-A453 PolarHBondContact O-N 2.73Å; P451-I500 HydrophobicContact CG-CG2 4.35Å; P451-I501 WeakPolarHBondContact CD-O 3.49Å
452	T	96.4	Very high	95.2	Very high	52 Å²	52	39.2 Å²	39.2	32%	0.319	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-1.5	176.1	46.8	0	0	0	0	114.1	V301 I426 W450	V301-T452 HydrophobicContact CB-CG2 4.34Å; V301-T452 HydrophobicContact CG1-CG2 4.1Å; I426-T452 PolarHBondContact O-OG1 3.05Å; W450-T452 PolarHBondContact O-N 3.26Å; W450-T452 VanDerWaalsContact O-N 3.14Å
453	A	96.9	Very high	94.9	Very high	1 Å²	1	38 Å²	38	1%	0.008	21%	0.213	C	C	.	.			trans	-71.1	135.1	-177.4	0	0	0	0	0	112.4	V425 R427 A449 W450 P451 N487 P488	V425-A453 HydrophobicContact CB-CB 4.08Å; V425-A453 HydrophobicContact CG1-CB 3.7Å; R427-A453 CarbonylContact O-C 3.49Å; R427-A453 VanDerWaalsContact O-CA 3.27Å; R427-A453 WeakPolarHBondContact O-CA 3.26Å; A449-A453 HydrophobicContact CB-CB 3.78Å; W450-A453 WeakPolarHBondContact O-CB 2.97Å; W450-A453 PolarHBondContact O-N 3.33Å; P451-A453 PolarHBondContact O-N 2.73Å; A453-N487 CarbonylContact O-C 3.59Å; A453-N487 VanDerWaalsContact O-C 3.22Å; A453-N487 VanDerWaalsContact O-CA 3.27Å; A453-N487 WeakPolarHBondContact O-CA 3.25Å; A453-P488 HydrophobicContact CB-CB 4.14Å; A453-P488 WeakPolarHBondContact O-CD 3.39Å
454	E	95.5	Very high	94.7	Very high	38 Å²	38	32.9 Å²	32.9	18%	0.178	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	111.2	176.3	-58.1	180	-156.1	0	0	108.9	R427 S429 Y430 A486	R427-E454 PolarHBondContact O-N 3.49Å; S429-E454 PolarHBondContact N-O 3.12Å; Y430-E454 HydrophobicContact CE1-CB 3.84Å; Y430-E454 WeakPolarHBondContact CE1-O 3.39Å; Y430-E454 PolarHBondContact OH-OE2 3.21Å; E454-A486 HydrophobicContact CG-CB 4.25Å
455	I	96.1	Very high	94.3	Very high	16 Å²	16	38.6 Å²	38.6	8%	0.082	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	104.2	-173.3	-53.4	172.7	0	0	0	109.4	V425 S429 Y434 A491 I497	V425-I455 HydrophobicContact CG1-CD1 4.46Å; V425-I455 HydrophobicContact CG1-CG1 4.24Å; V425-I455 HydrophobicContact CG2-CD1 4.29Å; S429-I455 WeakPolarHBondContact O-CA 3.21Å; Y434-I455 HydrophobicContact CD2-CG2 3.79Å; Y434-I455 HydrophobicContact CE2-CG2 3.82Å; Y434-I455 HydrophobicContact CG-CG2 4.43Å; I455-A491 HydrophobicContact CB-CB 4.16Å; I455-A491 HydrophobicContact CD1-CB 3.78Å; I455-A491 HydrophobicContact CG2-CB 3.99Å; I455-I497 HydrophobicContact CD1-CD1 3.81Å; I455-I497 HydrophobicContact CD1-CG1 3.65Å
456	A	95.2	Very high	93.9	Very high	20 Å²	20	41.3 Å²	41.3	17%	0.165	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	170.7	-171.7	0	0	0	0	0	112.9	S429 Y430 G431 F485	S429-A456 PolarHBondContact O-N 2.85Å; Y430-A456 CarbonylContact C-O 3.22Å; Y430-A456 VanDerWaalsContact CA-O 3.27Å; Y430-A456 WeakPolarHBondContact CA-O 3.41Å; Y430-A456 HydrophobicContact CD1-CB 4.07Å; Y430-A456 HydrophobicContact CE1-CB 4.34Å; G431-A456 PolarHBondContact N-O 3.36Å; A456-F485 HydrophobicContact CB-CB 4.48Å
457	V	93.7	Very high	93.4	Very high	107 Å²	107	44.7 Å²	44.7	65%	0.648	25%	0.25	S	S	*	.	S	Bend	trans	-68.8	-38.5	176.5	177.1	0	0	0	0	111.6	G431	G431-V457 WeakPolarHBondContact CA-O 3.45Å; G431-V457 PolarHBondContact N-O 3.25Å
458	M	91.8	Very high	92.9	Very high	63 Å²	63	48.8 Å²	48.8	31%	0.31	27%	0.268	S	S	.	.	S	Bend	trans	-160.8	172.1	175.9	63.6	-175.7	74	0	0	109.4	A462 A463 I466	M458-A462 HydrophobicContact CG-CB 4.24Å; M458-A462 HydrophobicContact SD-CB 3.79Å; M458-A463 HydrophobicContact CG-CB 3.77Å; M458-A463 HydrophobicContact SD-CB 4.26Å; M458-I466 HydrophobicContact CE-CD1 3.84Å; M458-I466 HydrophobicContact SD-CD1 3.72Å
459	G	88.5	Confident	92.1	Very high	27 Å²	27	57.1 Å²	57.1	28%	0.278	30%	0.299	S	S	.	.			trans	-60.8	147.8	175.2	0	0	0	0	0	112.7	K461 A462 A463	G459-K461 PolarHBondContact O-N 3.33Å; G459-A462 PolarHBondContact O-N 2.94Å; G459-A462 VanDerWaalsContact O-N 3.07Å; G459-A463 PolarHBondContact O-N 3.09Å
460	A	89.9	Confident	91.4	Very high	16 Å²	16	64.7 Å²	64.7	13%	0.132	34%	0.339	C	S	.	.	H	α-helix	trans	-53.6	-50.7	-170.1	0	0	0	0	0	113.3	A462 A463 V464 E478 Y481 I482	A460-A462 VanDerWaalsContact C-N 3.3Å; A460-A462 PolarHBondContact O-N 3.42Å; A460-A463 PolarHBondContact O-N 3.19Å; A460-V464 VanDerWaalsContact O-CG2 3.24Å; A460-V464 WeakPolarHBondContact O-CG2 3.37Å; A460-V464 PolarHBondContact O-N 3.17Å; A460-E478 HydrophobicContact CB-CG 3.94Å; A460-Y481 HydrophobicContact CB-CD1 3.71Å; A460-Y481 HydrophobicContact CB-CE1 4.41Å; A460-Y481 HydrophobicContact CB-CG 4.45Å; A460-I482 HydrophobicContact CB-CD1 4.16Å; A460-I482 HydrophobicContact CB-CG1 3.48Å; A460-I482 VanDerWaalsContact CB-CG1 3.48Å
461	K	88.1	Confident	90.5	Very high	130 Å²	130	67.7 Å²	67.7	57%	0.565	36%	0.356	S	S	*	.	H	α-helix	trans	-50	-46.8	175.9	-167.8	170.8	-175.1	170	0	113.8	G459 Q465 E478	G459-K461 PolarHBondContact O-N 3.33Å; K461-Q465 VanDerWaalsContact O-CG 3.31Å; K461-Q465 WeakPolarHBondContact O-CG 3.29Å; K461-Q465 PolarHBondContact O-N 3.42Å; K461-E478 WeakPolarHBondContact CB-OE1 3.22Å; K461-E478 PolarHBondContact N-OE1 3.22Å
462	A	88.5	Confident	89.9	Confident	42 Å²	42	72.1 Å²	72.1	35%	0.347	38%	0.376	S	S	.	.	H	α-helix	trans	-70.8	-38.2	-179.6	0	0	0	0	0	111.6	M458 G459 A460 I466	M458-A462 HydrophobicContact CG-CB 4.24Å; M458-A462 HydrophobicContact SD-CB 3.79Å; G459-A462 PolarHBondContact O-N 2.94Å; G459-A462 VanDerWaalsContact O-N 3.07Å; A460-A462 VanDerWaalsContact C-N 3.3Å; A460-A462 PolarHBondContact O-N 3.42Å; A462-I466 WeakPolarHBondContact O-CG1 3.49Å; A462-I466 PolarHBondContact O-N 3.22Å
463	A	91.2	Very high	89.5	Confident	3 Å²	3	73.3 Å²	73.3	3%	0.025	38%	0.38	C	S	.	.	H	α-helix	trans	-64.8	-44.4	177.8	0	0	0	0	0	111.8	M458 G459 A460 Q465 I466 I467 Y481	M458-A463 HydrophobicContact CG-CB 3.77Å; M458-A463 HydrophobicContact SD-CB 4.26Å; G459-A463 PolarHBondContact O-N 3.09Å; A460-A463 PolarHBondContact O-N 3.19Å; A463-Q465 PolarHBondContact O-N 2.75Å; A463-I466 PolarHBondContact O-N 2.84Å; A463-I466 VanDerWaalsContact O-N 3.08Å; A463-I467 HydrophobicContact CB-CD1 4.44Å; A463-I467 WeakPolarHBondContact O-CG1 3.16Å; A463-I467 PolarHBondContact O-N 2.86Å; A463-Y481 HydrophobicContact CB-CD1 4.36Å; A463-Y481 HydrophobicContact CB-CD2 4Å; A463-Y481 HydrophobicContact CB-CE1 3.83Å; A463-Y481 HydrophobicContact CB-CE2 3.43Å; A463-Y481 VanDerWaalsContact CB-CE2 3.43Å; A463-Y481 HydrophobicContact CB-CG 4.44Å
464	V	91.2	Very high	89	Confident	4 Å²	4	76.4 Å²	76.4	2%	0.024	40%	0.4	C	S	.	.	H	α-helix	trans	-63.3	-42.4	-179	170.4	0	0	0	0	111.4	A460 I466 I467 F468 A477 E478 Y481	A460-V464 VanDerWaalsContact O-CG2 3.24Å; A460-V464 WeakPolarHBondContact O-CG2 3.37Å; A460-V464 PolarHBondContact O-N 3.17Å; V464-I466 PolarHBondContact O-N 3.21Å; V464-I467 PolarHBondContact O-N 3.21Å; V464-F468 HydrophobicContact CB-CD2 4.31Å; V464-F468 HydrophobicContact CG1-CB 4.3Å; V464-F468 HydrophobicContact CG1-CD2 4.02Å; V464-F468 HydrophobicContact CG2-CD2 4.33Å; V464-F468 WeakPolarHBondContact O-CA 3.41Å; V464-F468 WeakPolarHBondContact O-CB 3.33Å; V464-F468 PolarHBondContact O-N 3.31Å; V464-A477 HydrophobicContact CG1-CB 3.76Å; V464-A477 HydrophobicContact CG2-CB 4.47Å; V464-E478 HydrophobicContact CG2-CB 4.07Å; V464-Y481 HydrophobicContact CG2-CG 4.38Å
465	Q	89.9	Confident	88.7	Confident	126 Å²	126	80.2 Å²	80.2	59%	0.589	42%	0.421	S	S	*	.	H	α-helix	trans	-60.5	-26	175.6	-74.1	177.6	-9.7	0	0	113.4	K461 A463 R469	K461-Q465 VanDerWaalsContact O-CG 3.31Å; K461-Q465 WeakPolarHBondContact O-CG 3.29Å; K461-Q465 PolarHBondContact O-N 3.42Å; A463-Q465 PolarHBondContact O-N 2.75Å; Q465-R469 WeakPolarHBondContact O-CG 3.49Å
466	I	90.1	Very high	88.5	Confident	95 Å²	95	83.2 Å²	83.2	49%	0.487	44%	0.435	S	S	.	.	H	α-helix	trans	-87.8	-44.9	178.3	-64.8	171.6	0	0	0	111.1	M458 A462 A463 V464	M458-I466 HydrophobicContact CE-CD1 3.84Å; M458-I466 HydrophobicContact SD-CD1 3.72Å; A462-I466 WeakPolarHBondContact O-CG1 3.49Å; A462-I466 PolarHBondContact O-N 3.22Å; A463-I466 PolarHBondContact O-N 2.84Å; A463-I466 VanDerWaalsContact O-N 3.08Å; V464-I466 PolarHBondContact O-N 3.21Å
467	I	88.8	Confident	88.3	Confident	102 Å²	102	82.4 Å²	82.4	52%	0.523	43%	0.429	S	S	.	.	H	α-helix	trans	-78.1	-41.9	-173.6	-63.5	167.7	0	0	0	111.3	A463 V464 Y481	A463-I467 HydrophobicContact CB-CD1 4.44Å; A463-I467 WeakPolarHBondContact O-CG1 3.16Å; A463-I467 PolarHBondContact O-N 2.86Å; V464-I467 PolarHBondContact O-N 3.21Å; I467-Y481 HydrophobicContact CD1-CD2 4.3Å; I467-Y481 HydrophobicContact CD1-CE2 3.87Å
468	F	87.5	Confident	88.2	Confident	88 Å²	88	80 Å²	80	39%	0.386	41%	0.41	S	S	.	.			trans	-114.7	46.3	-169	-59.7	-68.4	0	0	0	111.4	V464 D470 N471 A477	V464-F468 HydrophobicContact CB-CD2 4.31Å; V464-F468 HydrophobicContact CG1-CB 4.3Å; V464-F468 HydrophobicContact CG1-CD2 4.02Å; V464-F468 HydrophobicContact CG2-CD2 4.33Å; V464-F468 WeakPolarHBondContact O-CA 3.41Å; V464-F468 WeakPolarHBondContact O-CB 3.33Å; V464-F468 PolarHBondContact O-N 3.31Å; F468-D470 PolarHBondContact O-N 3.1Å; F468-D470 VanDerWaalsContact O-N 3.16Å; F468-N471 HydrophobicContact CB-CB 3.71Å; F468-N471 WeakPolarHBondContact O-CB 3.37Å; F468-N471 PolarHBondContact O-N 3.04Å; F468-N471 VanDerWaalsContact O-N 3.11Å; F468-A477 HydrophobicContact CB-CB 4.44Å; F468-A477 HydrophobicContact CD2-CB 3.68Å; F468-A477 HydrophobicContact CE2-CB 4Å; F468-A477 HydrophobicContact CG-CB 4.06Å
469	R	80.7	Confident	88.2	Confident	196 Å²	196	81.9 Å²	81.9	74%	0.74	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-36.9	-175.7	-79.7	-177.8	-178	178.8	1.6	114.2	Q465	Q465-R469 WeakPolarHBondContact O-CG 3.49Å
470	D	84.3	Confident	88.3	Confident	159 Å²	159	84.5 Å²	84.5	85%	0.85	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.9	24.4	-175.8	-54	-44.5	0	0	0	111.9	F468	F468-D470 PolarHBondContact O-N 3.1Å; F468-D470 VanDerWaalsContact O-N 3.16Å
471	N	80.4	Confident	88.4	Confident	64 Å²	64	84.8 Å²	84.8	34%	0.342	42%	0.424	S	S	.	.			trans	-83.4	128.9	178.8	-176.5	7.3	0	0	0	111.2	F468 D473 A477	F468-N471 HydrophobicContact CB-CB 3.71Å; F468-N471 WeakPolarHBondContact O-CB 3.37Å; F468-N471 PolarHBondContact O-N 3.04Å; F468-N471 VanDerWaalsContact O-N 3.11Å; N471-D473 PolarHBondContact ND2-O 2.77Å; N471-D473 VanDerWaalsContact ND2-O 3.09Å; N471-D473 PolarHBondContact O-N 3.29Å; N471-D473 PolarHBondContact OD1-N 3.21Å; N471-A477 VanDerWaalsContact ND2-CB 3.29Å; N471-A477 WeakPolarHBondContact ND2-CB 3.31Å
472	D	83.2	Confident	88.5	Confident	166 Å²	166	82.2 Å²	82.2	89%	0.888	42%	0.415	S	S	*	.	S	Bend	trans	-68.4	-20.4	178.6	-63.2	-38.2	0	0	0	112.9
473	D	89.2	Confident	88.6	Confident	77 Å²	77	87 Å²	87	41%	0.412	43%	0.429	S	S	.	.			trans	-128.6	81.7	175.1	-165.9	-12.5	0	0	0	112.4	N471 N475 Q476 A477	N471-D473 PolarHBondContact ND2-O 2.77Å; N471-D473 VanDerWaalsContact ND2-O 3.09Å; N471-D473 PolarHBondContact O-N 3.29Å; N471-D473 PolarHBondContact OD1-N 3.21Å; D473-N475 PolarHBondContact O-N 3.1Å; D473-N475 PolarHBondContact OD1-N 3.46Å; D473-Q476 HydrophobicContact CB-CB 4.23Å; D473-Q476 PolarHBondContact O-N 2.82Å; D473-Q476 PolarHBondContact OD1-N 3.06Å; D473-Q476 VanDerWaalsContact OD1-N 3.08Å; D473-Q476 WeakPolarHBondContact OD2-CB 3.21Å; D473-A477 PolarHBondContact O-N 3.26Å
474	P	86.1	Confident	88.6	Confident	66 Å²	66	89.2 Å²	89.2	43%	0.429	45%	0.446	S	S	.	.	H	α-helix	trans	-65.3	-24.1	178	25.7	-33.7	0	0	0	113.2	E478	P474-E478 PolarHBondContact O-N 3.02Å
475	N	89.2	Confident	88.6	Confident	117 Å²	117	93.1 Å²	93.1	63%	0.626	46%	0.463	S	S	*	.	H	α-helix	trans	-72.6	-45.1	-179.7	-67.3	-28.8	0	0	0	110.6	D473 A477 E478 E479	D473-N475 PolarHBondContact O-N 3.1Å; D473-N475 PolarHBondContact OD1-N 3.46Å; N475-A477 VanDerWaalsContact C-N 3.3Å; N475-A477 PolarHBondContact O-N 3.33Å; N475-E478 PolarHBondContact O-N 3.47Å; N475-E478 VanDerWaalsContact O-N 3.15Å; N475-E479 PolarHBondContact O-N 3.01Å
476	Q	92	Very high	88.5	Confident	79 Å²	79	88.2 Å²	88.2	37%	0.369	44%	0.444	S	S	.	.	H	α-helix	trans	-61.6	-41.6	175.2	-174.1	59.5	60.2	0	0	111.3	D473 E478 E479 D480	D473-Q476 HydrophobicContact CB-CB 4.23Å; D473-Q476 PolarHBondContact O-N 2.82Å; D473-Q476 PolarHBondContact OD1-N 3.06Å; D473-Q476 VanDerWaalsContact OD1-N 3.08Å; D473-Q476 WeakPolarHBondContact OD2-CB 3.21Å; Q476-E478 VanDerWaalsContact C-N 3.29Å; Q476-E478 PolarHBondContact O-N 3.1Å; Q476-E479 PolarHBondContact O-N 3.46Å; Q476-D480 PolarHBondContact NE2-OD1 3.17Å; Q476-D480 WeakPolarHBondContact O-CB 3.42Å; Q476-D480 VanDerWaalsContact O-CG 3.23Å; Q476-D480 PolarHBondContact O-N 3.08Å
477	A	90.8	Very high	88.6	Confident	4 Å²	4	85.2 Å²	85.2	3%	0.033	43%	0.429	C	S	.	.	H	α-helix	trans	-63.6	-33.5	175.6	0	0	0	0	0	113.2	V464 F468 N471 D473 N475 Y481	V464-A477 HydrophobicContact CG1-CB 3.76Å; V464-A477 HydrophobicContact CG2-CB 4.47Å; F468-A477 HydrophobicContact CB-CB 4.44Å; F468-A477 HydrophobicContact CD2-CB 3.68Å; F468-A477 HydrophobicContact CE2-CB 4Å; F468-A477 HydrophobicContact CG-CB 4.06Å; N471-A477 VanDerWaalsContact ND2-CB 3.29Å; N471-A477 WeakPolarHBondContact ND2-CB 3.31Å; D473-A477 PolarHBondContact O-N 3.26Å; N475-A477 VanDerWaalsContact C-N 3.3Å; N475-A477 PolarHBondContact O-N 3.33Å; A477-Y481 WeakPolarHBondContact O-CB 3.49Å; A477-Y481 PolarHBondContact O-N 3.02Å
478	E	90.7	Very high	88.9	Confident	55 Å²	55	80.6 Å²	80.6	26%	0.257	41%	0.406	S	S	.	.	H	α-helix	trans	-66.9	-44.7	173.1	-171.3	169.3	177.8	0	0	112.2	A460 K461 V464 P474 N475 Q476 D480 Y481 I482	A460-E478 HydrophobicContact CB-CG 3.94Å; K461-E478 WeakPolarHBondContact CB-OE1 3.22Å; K461-E478 PolarHBondContact N-OE1 3.22Å; V464-E478 HydrophobicContact CG2-CB 4.07Å; P474-E478 PolarHBondContact O-N 3.02Å; N475-E478 PolarHBondContact O-N 3.47Å; N475-E478 VanDerWaalsContact O-N 3.15Å; Q476-E478 VanDerWaalsContact C-N 3.29Å; Q476-E478 PolarHBondContact O-N 3.1Å; E478-D480 VanDerWaalsContact C-N 3.33Å; E478-D480 PolarHBondContact O-N 2.87Å; E478-Y481 PolarHBondContact O-N 2.87Å; E478-I482 HydrophobicContact CG-CD1 4.07Å; E478-I482 WeakPolarHBondContact O-CB 3.38Å; E478-I482 VanDerWaalsContact O-CG1 3.26Å; E478-I482 WeakPolarHBondContact O-CG1 3.39Å; E478-I482 PolarHBondContact O-N 3.37Å
479	E	91.2	Very high	89.3	Confident	103 Å²	103	82.3 Å²	82.3	48%	0.481	41%	0.413	S	S	.	.	H	α-helix	trans	-60.2	-42.6	173.9	-73.1	-168.8	-177.2	0	0	112.7	N475 Q476 Y481 I482 K483	N475-E479 PolarHBondContact O-N 3.01Å; Q476-E479 PolarHBondContact O-N 3.46Å; E479-Y481 VanDerWaalsContact C-N 3.34Å; E479-I482 PolarHBondContact O-N 2.97Å; E479-K483 WeakPolarHBondContact O-CG 3.42Å; E479-K483 PolarHBondContact O-N 3.47Å
480	D	91.6	Very high	89.9	Confident	83 Å²	83	73.9 Å²	73.9	44%	0.444	38%	0.384	S	S	.	.	H	α-helix	trans	-65.3	-40.6	178.8	-69.2	-13.6	0	0	0	111	Q476 E478 K483 A484	Q476-D480 PolarHBondContact NE2-OD1 3.17Å; Q476-D480 WeakPolarHBondContact O-CB 3.42Å; Q476-D480 VanDerWaalsContact O-CG 3.23Å; Q476-D480 PolarHBondContact O-N 3.08Å; E478-D480 VanDerWaalsContact C-N 3.33Å; E478-D480 PolarHBondContact O-N 2.87Å; D480-K483 PolarHBondContact O-N 2.95Å; D480-A484 VanDerWaalsContact O-CB 3.29Å; D480-A484 WeakPolarHBondContact O-CB 3.34Å; D480-A484 PolarHBondContact O-N 3.45Å
481	Y	92.4	Very high	90.5	Very high	22 Å²	22	66.6 Å²	66.6	9%	0.086	35%	0.346	C	S	.	.	H	α-helix	trans	-65.2	-42.6	175.2	-167.8	-79	0	0	0	111.8	A460 A463 V464 I467 A477 E478 E479 A484 F485	A460-Y481 HydrophobicContact CB-CD1 3.71Å; A460-Y481 HydrophobicContact CB-CE1 4.41Å; A460-Y481 HydrophobicContact CB-CG 4.45Å; A463-Y481 HydrophobicContact CB-CD1 4.36Å; A463-Y481 HydrophobicContact CB-CD2 4Å; A463-Y481 HydrophobicContact CB-CE1 3.83Å; A463-Y481 HydrophobicContact CB-CE2 3.43Å; A463-Y481 VanDerWaalsContact CB-CE2 3.43Å; A463-Y481 HydrophobicContact CB-CG 4.44Å; V464-Y481 HydrophobicContact CG2-CG 4.38Å; I467-Y481 HydrophobicContact CD1-CD2 4.3Å; I467-Y481 HydrophobicContact CD1-CE2 3.87Å; A477-Y481 WeakPolarHBondContact O-CB 3.49Å; A477-Y481 PolarHBondContact O-N 3.02Å; E478-Y481 PolarHBondContact O-N 2.87Å; E479-Y481 VanDerWaalsContact C-N 3.34Å; Y481-A484 PolarHBondContact O-N 2.96Å; Y481-F485 HydrophobicContact CD1-CB 4.2Å; Y481-F485 HydrophobicContact CD1-CD2 4.12Å; Y481-F485 AromaticContact CD2-CD2 3.71Å; Y481-F485 HydrophobicContact CD2-CD2 3.71Å; Y481-F485 HydrophobicContact CD2-CE2 4.13Å; Y481-F485 HydrophobicContact CE1-CB 3.81Å; Y481-F485 HydrophobicContact CE1-CD2 4Å; Y481-F485 HydrophobicContact CE1-CG 4.31Å; Y481-F485 AromaticContact CE2-CD2 3.55Å; Y481-F485 HydrophobicContact CE2-CD2 3.55Å; Y481-F485 AromaticContact CE2-CE2 3.98Å; Y481-F485 HydrophobicContact CE2-CE2 3.98Å; Y481-F485 HydrophobicContact CE2-CG 4.45Å; Y481-F485 AromaticContact CG-CD2 3.99Å; Y481-F485 HydrophobicContact CG-CD2 3.99Å; Y481-F485 AromaticContact CZ-CD2 3.72Å; Y481-F485 PolarHBondContact O-N 3.18Å
482	I	90.2	Very high	91.2	Very high	75 Å²	75	65.5 Å²	65.5	39%	0.385	34%	0.341	S	S	.	.	H	α-helix	trans	-59.1	-50.9	176.1	-72.5	169	0	0	0	109.8	A460 E478 E479 A484 F485 A486	A460-I482 HydrophobicContact CB-CD1 4.16Å; A460-I482 HydrophobicContact CB-CG1 3.48Å; A460-I482 VanDerWaalsContact CB-CG1 3.48Å; E478-I482 HydrophobicContact CG-CD1 4.07Å; E478-I482 WeakPolarHBondContact O-CB 3.38Å; E478-I482 VanDerWaalsContact O-CG1 3.26Å; E478-I482 WeakPolarHBondContact O-CG1 3.39Å; E478-I482 PolarHBondContact O-N 3.37Å; E479-I482 PolarHBondContact O-N 2.97Å; I482-A484 VanDerWaalsContact C-N 3.26Å; I482-A484 PolarHBondContact O-N 3.49Å; I482-F485 PolarHBondContact O-N 2.91Å; I482-A486 HydrophobicContact CB-CB 4.24Å; I482-A486 HydrophobicContact CG1-CB 4.4Å; I482-A486 HydrophobicContact CG2-CB 3.98Å; I482-A486 WeakPolarHBondContact O-CA 3.48Å; I482-A486 WeakPolarHBondContact O-CB 3.28Å; I482-A486 PolarHBondContact O-N 3.23Å
483	K	90.4	Very high	91.8	Very high	144 Å²	144	64 Å²	64	63%	0.626	33%	0.333	S	S	*	.	H	α-helix	trans	-58.9	-37.9	177.8	-75.3	172.7	-174.3	159.1	0	112.4	E479 D480 N487	E479-K483 WeakPolarHBondContact O-CG 3.42Å; E479-K483 PolarHBondContact O-N 3.47Å; D480-K483 PolarHBondContact O-N 2.95Å; K483-N487 PolarHBondContact O-ND2 3.01Å
484	A	90.2	Very high	92.2	Very high	48 Å²	48	67.6 Å²	67.6	40%	0.397	34%	0.341	S	S	.	.	H	α-helix	trans	-78.1	-39	-178.1	0	0	0	0	0	113.7	D480 Y481 I482 P490	D480-A484 VanDerWaalsContact O-CB 3.29Å; D480-A484 WeakPolarHBondContact O-CB 3.34Å; D480-A484 PolarHBondContact O-N 3.45Å; Y481-A484 PolarHBondContact O-N 2.96Å; I482-A484 VanDerWaalsContact C-N 3.26Å; I482-A484 PolarHBondContact O-N 3.49Å; A484-P490 VanDerWaalsContact O-CG 3.25Å; A484-P490 WeakPolarHBondContact O-CG 3.19Å
485	F	90.9	Very high	92.6	Very high	87 Å²	87	66.7 Å²	66.7	38%	0.382	34%	0.343	S	S	.	.	H	α-helix	trans	-130.2	-19.7	-164.3	-59.6	-64.9	0	0	0	116.1	A456 Y481 I482 N487 P490	A456-F485 HydrophobicContact CB-CB 4.48Å; Y481-F485 HydrophobicContact CD1-CB 4.2Å; Y481-F485 HydrophobicContact CD1-CD2 4.12Å; Y481-F485 AromaticContact CD2-CD2 3.71Å; Y481-F485 HydrophobicContact CD2-CD2 3.71Å; Y481-F485 HydrophobicContact CD2-CE2 4.13Å; Y481-F485 HydrophobicContact CE1-CB 3.81Å; Y481-F485 HydrophobicContact CE1-CD2 4Å; Y481-F485 HydrophobicContact CE1-CG 4.31Å; Y481-F485 AromaticContact CE2-CD2 3.55Å; Y481-F485 HydrophobicContact CE2-CD2 3.55Å; Y481-F485 AromaticContact CE2-CE2 3.98Å; Y481-F485 HydrophobicContact CE2-CE2 3.98Å; Y481-F485 HydrophobicContact CE2-CG 4.45Å; Y481-F485 AromaticContact CG-CD2 3.99Å; Y481-F485 HydrophobicContact CG-CD2 3.99Å; Y481-F485 AromaticContact CZ-CD2 3.72Å; Y481-F485 PolarHBondContact O-N 3.18Å; I482-F485 PolarHBondContact O-N 2.91Å; F485-N487 PolarHBondContact O-N 2.9Å; F485-P490 HydrophobicContact CD1-CG 4.28Å
486	A	88.9	Confident	93.1	Very high	23 Å²	23	65.3 Å²	65.3	19%	0.19	33%	0.33	C	S	.	.	S	Bend	trans	-86.3	54.2	177.6	0	0	0	0	0	111.1	E454 I482	E454-A486 HydrophobicContact CG-CB 4.25Å; I482-A486 HydrophobicContact CB-CB 4.24Å; I482-A486 HydrophobicContact CG1-CB 4.4Å; I482-A486 HydrophobicContact CG2-CB 3.98Å; I482-A486 WeakPolarHBondContact O-CA 3.48Å; I482-A486 WeakPolarHBondContact O-CB 3.28Å; I482-A486 PolarHBondContact O-N 3.23Å
487	N	92.6	Very high	93.3	Very high	32 Å²	32	61.8 Å²	61.8	17%	0.171	31%	0.314	C	S	.	.	S	Bend	trans	-160	169.5	177.7	63.3	81.9	0	0	0	109	A453 K483 F485 F489 P490	A453-N487 CarbonylContact O-C 3.59Å; A453-N487 VanDerWaalsContact O-C 3.22Å; A453-N487 VanDerWaalsContact O-CA 3.27Å; A453-N487 WeakPolarHBondContact O-CA 3.25Å; K483-N487 PolarHBondContact O-ND2 3.01Å; F485-N487 PolarHBondContact O-N 2.9Å; N487-F489 WeakPolarHBondContact OD1-CB 3.5Å; N487-F489 WeakPolarHBondContact OD1-CD2 3.5Å; N487-F489 PolarHBondContact OD1-N 3.23Å; N487-P490 WeakPolarHBondContact O-CD 3.45Å; N487-P490 WeakPolarHBondContact OD1-CD 3.3Å
488	P	94.2	Very high	93.7	Very high	4 Å²	4	65 Å²	65	3%	0.026	33%	0.331	C	S	.	.	S	Bend	trans	-82.4	-17.1	-173.8	27.9	-27.6	0	0	0	113.9	A449 A453 A491 V492 I500	A449-P488 HydrophobicContact CB-CB 3.96Å; A453-P488 HydrophobicContact CB-CB 4.14Å; A453-P488 WeakPolarHBondContact O-CD 3.39Å; P488-A491 PolarHBondContact O-N 3.48Å; P488-V492 WeakPolarHBondContact O-CG2 3.42Å; P488-V492 PolarHBondContact O-N 3.15Å; P488-V492 VanDerWaalsContact O-N 3.09Å; P488-I500 HydrophobicContact CB-CD1 4.2Å; P488-I500 HydrophobicContact CB-CG1 4.25Å; P488-I500 HydrophobicContact CG-CD1 3.72Å; P488-I500 HydrophobicContact CG-CG1 4.07Å
489	F	96.2	Very high	94	Very high	124 Å²	124	65.9 Å²	65.9	54%	0.544	34%	0.337	S	S	.	.	H	α-helix	trans	-57.6	-40.7	-171.7	-68.3	-72.4	0	0	0	114.6	N487 A491 V492 N493 I500	N487-F489 WeakPolarHBondContact OD1-CB 3.5Å; N487-F489 WeakPolarHBondContact OD1-CD2 3.5Å; N487-F489 PolarHBondContact OD1-N 3.23Å; F489-A491 PolarHBondContact O-N 2.93Å; F489-V492 PolarHBondContact O-N 3.41Å; F489-N493 VanDerWaalsContact O-CB 3.31Å; F489-N493 WeakPolarHBondContact O-CB 3.39Å; F489-N493 PolarHBondContact O-N 3.46Å; F489-N493 PolarHBondContact O-ND2 2.95Å; F489-I500 HydrophobicContact CD1-CD1 4.06Å; F489-I500 HydrophobicContact CE1-CD1 3.84Å; F489-I500 HydrophobicContact CZ-CD1 4.25Å
490	P	94.2	Very high	94.4	Very high	20 Å²	20	63 Å²	63	13%	0.13	32%	0.324	C	S	.	.	H	α-helix	trans	-58.4	-30.8	176.8	-27.7	34.5	0	0	0	114.4	A484 F485 N487 R494	A484-P490 VanDerWaalsContact O-CG 3.25Å; A484-P490 WeakPolarHBondContact O-CG 3.19Å; F485-P490 HydrophobicContact CD1-CG 4.28Å; N487-P490 WeakPolarHBondContact O-CD 3.45Å; N487-P490 WeakPolarHBondContact OD1-CD 3.3Å; P490-R494 WeakPolarHBondContact O-CG 3.2Å; P490-R494 PolarHBondContact O-NH1 2.96Å
491	A	95.9	Very high	94.7	Very high	5 Å²	5	59.2 Å²	59.2	4%	0.041	30%	0.304	C	S	.	.	H	α-helix	trans	-83.3	-40.9	177.7	0	0	0	0	0	111.4	I455 P488 F489 R494 G495 Y496 I497	I455-A491 HydrophobicContact CB-CB 4.16Å; I455-A491 HydrophobicContact CD1-CB 3.78Å; I455-A491 HydrophobicContact CG2-CB 3.99Å; P488-A491 PolarHBondContact O-N 3.48Å; F489-A491 PolarHBondContact O-N 2.93Å; A491-R494 PolarHBondContact O-N 2.86Å; A491-G495 PolarHBondContact O-N 2.97Å; A491-Y496 PolarHBondContact O-N 2.77Å; A491-I497 HydrophobicContact CB-CG1 3.9Å
492	V	96	Very high	95	Very high	41 Å²	41	62.3 Å²	62.3	25%	0.248	32%	0.322	C	S	.	.	H	α-helix	trans	-62.2	-46.3	176.1	174.6	0	0	0	0	111.5	P488 F489 R494 G495 I497 I500	P488-V492 WeakPolarHBondContact O-CG2 3.42Å; P488-V492 PolarHBondContact O-N 3.15Å; P488-V492 VanDerWaalsContact O-N 3.09Å; F489-V492 PolarHBondContact O-N 3.41Å; V492-R494 PolarHBondContact O-N 3.14Å; V492-G495 PolarHBondContact O-N 3.24Å; V492-I497 HydrophobicContact CG2-CB 3.69Å; V492-I497 HydrophobicContact CG2-CG1 4.46Å; V492-I497 HydrophobicContact CG2-CG2 3.71Å; V492-I500 HydrophobicContact CG2-CD1 3.89Å; V492-I500 HydrophobicContact CG2-CG1 3.69Å
493	N	95.5	Very high	95.3	Very high	135 Å²	135	59.3 Å²	59.3	72%	0.722	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-16.4	178.5	-71.2	-18.1	0	0	0	113.3	F489	F489-N493 VanDerWaalsContact O-CB 3.31Å; F489-N493 WeakPolarHBondContact O-CB 3.39Å; F489-N493 PolarHBondContact O-N 3.46Å; F489-N493 PolarHBondContact O-ND2 2.95Å
494	R	96.1	Very high	95.7	Very high	153 Å²	153	54.3 Å²	54.3	58%	0.577	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	-1.5	175	-66.7	-176.9	172.3	92	-4.3	113.5	P490 A491 V492 Y496	P490-R494 WeakPolarHBondContact O-CG 3.2Å; P490-R494 PolarHBondContact O-NH1 2.96Å; A491-R494 PolarHBondContact O-N 2.86Å; V492-R494 PolarHBondContact O-N 3.14Å; R494-Y496 VanDerWaalsContact C-N 3.33Å; R494-Y496 HydrophobicContact CB-CD1 3.85Å; R494-Y496 HydrophobicContact CB-CD2 3.98Å; R494-Y496 HydrophobicContact CB-CE1 3.64Å; R494-Y496 HydrophobicContact CB-CE2 3.8Å; R494-Y496 HydrophobicContact CB-CG 4.02Å; R494-Y496 HydrophobicContact CG-CE2 4.35Å; R494-Y496 VanDerWaalsContact O-CD1 3.3Å; R494-Y496 WeakPolarHBondContact O-CD1 3.41Å; R494-Y496 WeakPolarHBondContact O-CE1 3.36Å
495	G	96.6	Very high	96.1	Very high	46 Å²	46	53.7 Å²	53.7	47%	0.474	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.5	22.2	-176.6	0	0	0	0	0	114	A491 V492	A491-G495 PolarHBondContact O-N 2.97Å; V492-G495 PolarHBondContact O-N 3.24Å
496	Y	97.6	Very high	96.5	Very high	89 Å²	89	49.6 Å²	49.6	35%	0.349	26%	0.258	S	S	.	.	S	Bend	trans	-86.6	-21.2	178.7	-56	-12.3	0	0	0	112.2	K440 H441 A491 R494	K440-Y496 WeakPolarHBondContact CB-O 3.35Å; H441-Y496 AromaticContact CE1-CD1 3.47Å; H441-Y496 VanDerWaalsContact CE1-CD1 3.47Å; H441-Y496 WeakPolarHBondContact CE1-CD1 3.46Å; H441-Y496 AromaticContact CE1-CD2 3.93Å; H441-Y496 AromaticContact CE1-CE1 3.6Å; H441-Y496 AromaticContact CE1-CG 3.64Å; H441-Y496 AromaticContact CE1-CZ 3.87Å; H441-Y496 AromaticContact NE2-CD2 3.78Å; H441-Y496 AromaticContact NE2-CE2 3.91Å; H441-Y496 AromaticContact NE2-CG 3.89Å; A491-Y496 PolarHBondContact O-N 2.77Å; R494-Y496 VanDerWaalsContact C-N 3.33Å; R494-Y496 HydrophobicContact CB-CD1 3.85Å; R494-Y496 HydrophobicContact CB-CD2 3.98Å; R494-Y496 HydrophobicContact CB-CE1 3.64Å; R494-Y496 HydrophobicContact CB-CE2 3.8Å; R494-Y496 HydrophobicContact CB-CG 4.02Å; R494-Y496 HydrophobicContact CG-CE2 4.35Å; R494-Y496 VanDerWaalsContact O-CD1 3.3Å; R494-Y496 WeakPolarHBondContact O-CD1 3.41Å; R494-Y496 WeakPolarHBondContact O-CE1 3.36Å
497	I	98.2	Very high	96.9	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.021	25%	0.249	C	C	.	.	S	Bend	trans	-118.3	129.5	169.6	-62.6	-60.1	0	0	0	105.7	V425 N447 A449 I455 A491 V492 D499	V425-I497 HydrophobicContact CG2-CD1 4.17Å; N447-I497 HydrophobicContact CB-CD1 4.16Å; N447-I497 CarbonylContact O-C 3.51Å; N447-I497 WeakPolarHBondContact O-CA 3.32Å; N447-I497 WeakPolarHBondContact O-CG2 3.45Å; A449-I497 HydrophobicContact CB-CG1 4.47Å; A449-I497 HydrophobicContact CB-CG2 3.79Å; I455-I497 HydrophobicContact CD1-CD1 3.81Å; I455-I497 HydrophobicContact CD1-CG1 3.65Å; A491-I497 HydrophobicContact CB-CG1 3.9Å; V492-I497 HydrophobicContact CG2-CB 3.69Å; V492-I497 HydrophobicContact CG2-CG1 4.46Å; V492-I497 HydrophobicContact CG2-CG2 3.71Å; I497-D499 WeakPolarHBondContact CG2-O 3.41Å
498	D	98	Very high	97.1	Very high	73 Å²	73	48.4 Å²	48.4	39%	0.39	25%	0.248	S	C	.	.	S	Bend	trans	-76.2	-35	-176.6	-63.7	-71.9	0	0	0	112	K440 I446 N447	K440-D498 IonicContact NZ-OD1 3.53Å; K440-D498 PolarHBondContact NZ-OD1 2.88Å; K440-D498 IonicContact NZ-OD2 2.84Å; K440-D498 PolarHBondContact NZ-OD2 2.96Å; I446-D498 WeakPolarHBondContact CA-OD2 3.14Å; N447-D498 PolarHBondContact N-OD2 3.24Å; N447-D498 PolarHBondContact O-N 2.97Å
499	D	97.9	Very high	97.3	Very high	72 Å²	72	52.4 Å²	52.4	39%	0.385	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	156.7	175.5	-160.1	10.1	0	0	0	112.3	Y448 A449 I497 I501	Y448-D499 WeakPolarHBondContact CA-O 3.35Å; Y448-D499 HydrophobicContact CD1-CB 3.8Å; Y448-D499 HydrophobicContact CE1-CB 3.77Å; A449-D499 PolarHBondContact N-O 3.13Å; A449-D499 VanDerWaalsContact N-O 3.11Å; I497-D499 WeakPolarHBondContact CG2-O 3.41Å; D499-I501 HydrophobicContact CB-CG2 4.22Å
500	I	98.1	Very high	97.4	Very high	43 Å²	43	46.5 Å²	46.5	22%	0.221	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	116.6	165.8	-57.3	165.1	0	0	0	106.9	A449 P451 P488 F489 V492	A449-I500 CarbonylContact O-C 3.55Å; A449-I500 VanDerWaalsContact O-CA 3.31Å; A449-I500 WeakPolarHBondContact O-CA 3.42Å; P451-I500 HydrophobicContact CG-CG2 4.35Å; P488-I500 HydrophobicContact CB-CD1 4.2Å; P488-I500 HydrophobicContact CB-CG1 4.25Å; P488-I500 HydrophobicContact CG-CD1 3.72Å; P488-I500 HydrophobicContact CG-CG1 4.07Å; F489-I500 HydrophobicContact CD1-CD1 4.06Å; F489-I500 HydrophobicContact CE1-CD1 3.84Å; F489-I500 HydrophobicContact CZ-CD1 4.25Å; V492-I500 HydrophobicContact CG2-CD1 3.89Å; V492-I500 HydrophobicContact CG2-CG1 3.69Å
501	I	98.2	Very high	97.6	Very high	4 Å²	4	46 Å²	46	2%	0.021	23%	0.234	C	C	.	.			trans	-111.6	147	-175.8	66.2	173.9	0	0	0	111	Y448 A449 P451 D499 R509	Y448-I501 HydrophobicContact CD1-CG2 3.79Å; Y448-I501 HydrophobicContact CD2-CD1 4.08Å; Y448-I501 HydrophobicContact CE1-CG2 4.06Å; Y448-I501 HydrophobicContact CG-CD1 3.98Å; Y448-I501 HydrophobicContact CG-CG1 4.46Å; Y448-I501 HydrophobicContact CG-CG2 4.27Å; A449-I501 PolarHBondContact O-N 3.28Å; P451-I501 WeakPolarHBondContact CD-O 3.49Å; D499-I501 HydrophobicContact CB-CG2 4.22Å; I501-R509 HydrophobicContact CD1-CB 4.39Å; I501-R509 HydrophobicContact CD1-CG 4.06Å; I501-R509 HydrophobicContact CG2-CG 4.39Å
502	D	98.3	Very high	97.6	Very high	86 Å²	86	50.1 Å²	50.1	46%	0.46	25%	0.252	S	S	.	.			trans	-62.9	137.5	168	-67.1	-41.8	0	0	0	110.2	H504 L505	D502-H504 VanDerWaalsContact C-N 3.3Å; D502-H504 VanDerWaalsContact CB-CE1 3.43Å; D502-H504 WeakPolarHBondContact CB-CE1 3.44Å; D502-H504 PolarHBondContact O-N 3.22Å; D502-H504 IonicContact OD2-CE1 3.46Å; D502-L505 HydrophobicContact CB-CD1 4.11Å; D502-L505 HydrophobicContact CB-CG 4.36Å; D502-L505 WeakPolarHBondContact O-CB 3.38Å; D502-L505 PolarHBondContact O-N 3.03Å
503	P	98.5	Very high	97.7	Very high	13 Å²	13	49.1 Å²	49.1	8%	0.084	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-53	-42.8	-175.4	-29.4	35.6	0	0	0	114.3	L297 D298 W450 L505 T506	L297-P503 HydrophobicContact CB-CB 3.74Å; L297-P503 WeakPolarHBondContact CD1-O 3.44Å; L297-P503 WeakPolarHBondContact O-CB 2.98Å; D298-P503 WeakPolarHBondContact OD1-CB 3.26Å; D298-P503 VanDerWaalsContact OD1-CD 3.31Å; D298-P503 WeakPolarHBondContact OD1-CD 3.39Å; W450-P503 HydrophobicContact CB-CG 4.42Å; W450-P503 HydrophobicContact CD2-CB 3.71Å; W450-P503 HydrophobicContact CD2-CG 3.69Å; W450-P503 HydrophobicContact CE3-CB 3.83Å; W450-P503 HydrophobicContact CE3-CG 3.77Å; W450-P503 HydrophobicContact CG-CB 4.35Å; W450-P503 HydrophobicContact CG-CG 3.99Å; W450-P503 HydrophobicContact CH2-CB 3.86Å; W450-P503 HydrophobicContact CZ2-CB 3.72Å; W450-P503 HydrophobicContact CZ3-CB 3.9Å; W450-P503 HydrophobicContact CZ3-CG 4.27Å; P503-L505 PolarHBondContact O-N 3.35Å; P503-L505 VanDerWaalsContact O-N 3.09Å; P503-T506 VanDerWaalsContact O-CB 3.31Å; P503-T506 WeakPolarHBondContact O-CB 3.48Å; P503-T506 PolarHBondContact O-N 3.28Å; P503-T506 PolarHBondContact O-OG1 3.26Å
504	H	98.4	Very high	97.8	Very high	39 Å²	39	43 Å²	43	18%	0.181	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-62.6	-14.6	179.3	67.9	-97.2	0	0	0	115.2	V294 D298 D502	V294-H504 PolarHBondContact N-O 3.07Å; V294-H504 WeakPolarHBondContact O-CA 3.31Å; V294-H504 VanDerWaalsContact O-CB 3.3Å; V294-H504 WeakPolarHBondContact O-CB 3.23Å; D298-H504 IonicContact OD1-CG 2.83Å; D298-H504 PolarHBondContact OD1-N 3.46Å; D298-H504 IonicContact OD1-ND1 2.68Å; D298-H504 PolarHBondContact OD1-ND1 3.26Å; D298-H504 VanDerWaalsContact OD1-ND1 3.09Å; D298-H504 IonicContact OD2-CE1 2.7Å; D298-H504 IonicContact OD2-CG 2.75Å; D298-H504 IonicContact OD2-ND1 3.96Å; D298-H504 PolarHBondContact OD2-ND1 3.49Å; D502-H504 VanDerWaalsContact C-N 3.3Å; D502-H504 VanDerWaalsContact CB-CE1 3.43Å; D502-H504 WeakPolarHBondContact CB-CE1 3.44Å; D502-H504 PolarHBondContact O-N 3.22Å; D502-H504 IonicContact OD2-CE1 3.46Å
505	L	98.2	Very high	97.7	Very high	34 Å²	34	41 Å²	41	18%	0.178	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-87	-7.8	176.5	-64.7	171.7	0	0	0	113.4	L293 D502 P503 R507 L508 R509	L293-L505 HydrophobicContact CD2-CD2 3.69Å; D502-L505 HydrophobicContact CB-CD1 4.11Å; D502-L505 HydrophobicContact CB-CG 4.36Å; D502-L505 WeakPolarHBondContact O-CB 3.38Å; D502-L505 PolarHBondContact O-N 3.03Å; P503-L505 PolarHBondContact O-N 3.35Å; P503-L505 VanDerWaalsContact O-N 3.09Å; L505-R507 PolarHBondContact O-N 2.89Å; L505-L508 PolarHBondContact O-N 3.11Å; L505-L508 VanDerWaalsContact O-N 3.17Å; L505-R509 HydrophobicContact CB-CG 4.44Å; L505-R509 WeakPolarHBondContact O-CG 3.46Å; L505-R509 PolarHBondContact O-N 2.89Å
506	T	98.5	Very high	97.7	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.006	22%	0.218	C	C	.	.	H	α-helix	trans	-53.6	-48.5	-170.5	-59.6	0	0	0	0	113	I318 I424 W450 P503 R509 L510	I318-T506 HydrophobicContact CG2-CG2 4.03Å; I424-T506 HydrophobicContact CD1-CG2 4.45Å; I424-T506 HydrophobicContact CG1-CG2 4.33Å; W450-T506 PolarHBondContact NE1-OG1 3.44Å; P503-T506 VanDerWaalsContact O-CB 3.31Å; P503-T506 WeakPolarHBondContact O-CB 3.48Å; P503-T506 PolarHBondContact O-N 3.28Å; P503-T506 PolarHBondContact O-OG1 3.26Å; T506-R509 PolarHBondContact O-N 3.3Å; T506-L510 HydrophobicContact CG2-CD1 3.99Å; T506-L510 HydrophobicContact CG2-CG 4.41Å; T506-L510 WeakPolarHBondContact O-CB 3.47Å; T506-L510 VanDerWaalsContact O-CG 3.31Å; T506-L510 WeakPolarHBondContact O-CG 3.45Å; T506-L510 PolarHBondContact O-N 3.17Å
507	R	98.1	Very high	97.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-58.9	-51.2	178.7	175	176.3	174.3	77	2.4	111.7	D288 P289 V294 I318 I319 D320 L505 R509 L510 C511	D288-R507 PolarHBondContact O-NH2 3.03Å; D288-R507 IonicContact OD1-CZ 2.81Å; D288-R507 IonicContact OD1-NE 3.12Å; D288-R507 IonicContact OD1-NH2 3.56Å; D288-R507 PolarHBondContact OD1-NH2 3.06Å; D288-R507 IonicContact OD2-CZ 3.33Å; D288-R507 IonicContact OD2-NH1 3.16Å; D288-R507 IonicContact OD2-NH2 2.75Å; D288-R507 PolarHBondContact OD2-NH2 3.41Å; P289-R507 PolarHBondContact O-NE 3.42Å; P289-R507 VanDerWaalsContact O-NE 3.08Å; P289-R507 PolarHBondContact O-NH2 3.15Å; V294-R507 HydrophobicContact CG2-CB 4.09Å; I318-R507 WeakPolarHBondContact O-CD 3.39Å; I318-R507 WeakPolarHBondContact O-CG 3.29Å; I318-R507 PolarHBondContact O-NH1 2.82Å; I319-R507 VanDerWaalsContact C-NH1 3.28Å; I319-R507 PolarHBondContact O-NH1 3.13Å; D320-R507 IonicContact OD1-CZ 2.82Å; D320-R507 VanDerWaalsContact OD1-CZ 3.28Å; D320-R507 IonicContact OD1-NH1 3.62Å; D320-R507 PolarHBondContact OD1-NH1 3.34Å; D320-R507 IonicContact OD1-NH2 3.46Å; D320-R507 PolarHBondContact OD1-NH2 2.85Å; L505-R507 PolarHBondContact O-N 2.89Å; R507-R509 VanDerWaalsContact C-N 3.31Å; R507-R509 PolarHBondContact O-N 2.96Å; R507-L510 PolarHBondContact O-N 3.22Å; R507-C511 PolarHBondContact O-N 3.44Å; R507-C511 PolarHBondContact O-SG 3.41Å; R507-C511 VanDerWaalsContact O-SG 3.41Å
508	L	97.4	Very high	97.4	Very high	30 Å²	30	44.3 Å²	44.3	16%	0.157	22%	0.22	C	C	.	.	H	α-helix	trans	-56.5	-45.6	-179.4	172	146.2	0	0	0	111.4	D291 L505 H512	D291-L508 HydrophobicContact CB-CD1 4.02Å; L505-L508 PolarHBondContact O-N 3.11Å; L505-L508 VanDerWaalsContact O-N 3.17Å; L508-H512 PolarHBondContact O-CD2 3.48Å; L508-H512 VanDerWaalsContact O-CD2 3.25Å; L508-H512 PolarHBondContact O-N 3.36Å
509	R	97.9	Very high	97.2	Very high	88 Å²	88	51.4 Å²	51.4	33%	0.332	24%	0.241	S	C	.	.	H	α-helix	trans	-62.7	-49.8	178.2	-65.8	-63.4	-173.8	-154.8	2.1	111.6	Y448 I501 L505 T506 R507 C511 H512 D513	Y448-R509 HydrophobicContact CD2-CB 4.49Å; Y448-R509 HydrophobicContact CE2-CB 3.77Å; Y448-R509 HydrophobicContact CE2-CG 4.42Å; I501-R509 HydrophobicContact CD1-CB 4.39Å; I501-R509 HydrophobicContact CD1-CG 4.06Å; I501-R509 HydrophobicContact CG2-CG 4.39Å; L505-R509 HydrophobicContact CB-CG 4.44Å; L505-R509 WeakPolarHBondContact O-CG 3.46Å; L505-R509 PolarHBondContact O-N 2.89Å; T506-R509 PolarHBondContact O-N 3.3Å; R507-R509 VanDerWaalsContact C-N 3.31Å; R507-R509 PolarHBondContact O-N 2.96Å; R509-C511 PolarHBondContact O-N 3.04Å; R509-H512 PolarHBondContact O-N 2.96Å; R509-D513 PolarHBondContact O-N 2.92Å
510	L	98.2	Very high	97.1	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-57.1	-46.1	179.2	-76	179.3	0	0	0	112.8	I318 L342 I384 L422 I424 T506 R507 D513 L514	I318-L510 HydrophobicContact CD1-CD1 4.12Å; L342-L510 HydrophobicContact CD1-CB 4.1Å; L342-L510 HydrophobicContact CD1-CD1 4.05Å; I384-L510 HydrophobicContact CD1-CD2 3.83Å; I384-L510 HydrophobicContact CG2-CD1 4.03Å; I384-L510 HydrophobicContact CG2-CD2 4.21Å; L422-L510 HydrophobicContact CB-CD2 3.88Å; L422-L510 HydrophobicContact CD2-CD2 3.81Å; L422-L510 HydrophobicContact CG-CD2 4.47Å; I424-L510 HydrophobicContact CD1-CD1 4.1Å; I424-L510 HydrophobicContact CD1-CD2 3.73Å; I424-L510 HydrophobicContact CD1-CG 4.2Å; T506-L510 HydrophobicContact CG2-CD1 3.99Å; T506-L510 HydrophobicContact CG2-CG 4.41Å; T506-L510 WeakPolarHBondContact O-CB 3.47Å; T506-L510 VanDerWaalsContact O-CG 3.31Å; T506-L510 WeakPolarHBondContact O-CG 3.45Å; T506-L510 PolarHBondContact O-N 3.17Å; R507-L510 PolarHBondContact O-N 3.22Å; L510-D513 PolarHBondContact O-N 3.34Å; L510-L514 VanDerWaalsContact O-CB 3.32Å; L510-L514 WeakPolarHBondContact O-CB 3.41Å; L510-L514 WeakPolarHBondContact O-CD1 3.47Å; L510-L514 WeakPolarHBondContact O-CG 3.47Å; L510-L514 PolarHBondContact O-N 2.78Å
511	C	97.4	Very high	97	Very high	11 Å²	11	57.7 Å²	57.7	7%	0.074	26%	0.264	C	S	.	.	H	α-helix	trans	-61	-46	179	-72.5	0	0	0	0	112.1	I290 R507 R509 E515	I290-C511 HydrophobicContact CB-CB 4.11Å; R507-C511 PolarHBondContact O-N 3.44Å; R507-C511 PolarHBondContact O-SG 3.41Å; R507-C511 VanDerWaalsContact O-SG 3.41Å; R509-C511 PolarHBondContact O-N 3.04Å; C511-E515 PolarHBondContact O-N 2.97Å; C511-E515 VanDerWaalsContact O-N 3.16Å
512	H	96.8	Very high	96.9	Very high	90 Å²	90	60.8 Å²	60.8	42%	0.417	28%	0.28	S	S	.	.	H	α-helix	trans	-63.9	-44.8	178.6	-84.4	-59.9	0	0	0	112.8	L508 R509 E515 L516	L508-H512 PolarHBondContact O-CD2 3.48Å; L508-H512 VanDerWaalsContact O-CD2 3.25Å; L508-H512 PolarHBondContact O-N 3.36Å; R509-H512 PolarHBondContact O-N 2.96Å; H512-E515 WeakPolarHBondContact O-CB 3.43Å; H512-E515 PolarHBondContact O-N 3.03Å; H512-L516 PolarHBondContact O-N 3.15Å; H512-L516 VanDerWaalsContact O-N 3.08Å
513	D	97.8	Very high	96.8	Very high	20 Å²	20	65.4 Å²	65.4	11%	0.107	30%	0.299	C	S	.	.	H	α-helix	trans	-69.8	-36	-178.8	-69.4	-29.2	0	0	0	111.9	L422 I446 Y448 R509 L510 E515 L516 L517	L422-D513 HydrophobicContact CD2-CB 3.29Å; I446-D513 HydrophobicContact CG1-CB 4.36Å; Y448-D513 WeakPolarHBondContact CE2-OD2 3.44Å; Y448-D513 PolarHBondContact OH-OD2 3.37Å; R509-D513 PolarHBondContact O-N 2.92Å; L510-D513 PolarHBondContact O-N 3.34Å; D513-E515 VanDerWaalsContact C-N 3.31Å; D513-E515 PolarHBondContact O-N 3.17Å; D513-L516 PolarHBondContact O-N 3.39Å; D513-L517 VanDerWaalsContact O-CB 3.27Å; D513-L517 WeakPolarHBondContact O-CB 3.33Å; D513-L517 VanDerWaalsContact O-CG 3.23Å; D513-L517 WeakPolarHBondContact O-CG 3.45Å; D513-L517 PolarHBondContact O-N 2.97Å
514	L	96.9	Very high	96.8	Very high	6 Å²	6	67.4 Å²	67.4	3%	0.031	31%	0.309	C	S	.	.	H	α-helix	trans	-61.8	-39.7	173.5	-77.2	169.1	0	0	0	111.9	L342 V347 P382 I384 L422 L510 E518	L342-L514 HydrophobicContact CB-CD1 3.75Å; L342-L514 HydrophobicContact CD1-CD1 3.82Å; L342-L514 HydrophobicContact CG-CD1 4.45Å; V347-L514 HydrophobicContact CG1-CD1 3.71Å; V347-L514 HydrophobicContact CG1-CD2 4.16Å; P382-L514 HydrophobicContact CB-CD2 3.52Å; P382-L514 HydrophobicContact CG-CD2 3.96Å; I384-L514 HydrophobicContact CD1-CD1 4.38Å; I384-L514 HydrophobicContact CD1-CD2 4.29Å; L422-L514 HydrophobicContact CD1-CD2 3.71Å; L422-L514 HydrophobicContact CD1-CG 4.24Å; L422-L514 HydrophobicContact CD2-CG 4.48Å; L510-L514 VanDerWaalsContact O-CB 3.32Å; L510-L514 WeakPolarHBondContact O-CB 3.41Å; L510-L514 WeakPolarHBondContact O-CD1 3.47Å; L510-L514 WeakPolarHBondContact O-CG 3.47Å; L510-L514 PolarHBondContact O-N 2.78Å; L514-E518 PolarHBondContact O-N 2.99Å; L514-E518 VanDerWaalsContact O-N 3.12Å
515	E	95	Very high	96.8	Very high	111 Å²	111	70 Å²	70	52%	0.519	33%	0.329	S	S	.	.	H	α-helix	trans	-62.8	-44.7	174.5	-173.5	-179.1	-171.8	0	0	111.4	C511 H512 D513 E518	C511-E515 PolarHBondContact O-N 2.97Å; C511-E515 VanDerWaalsContact O-N 3.16Å; H512-E515 WeakPolarHBondContact O-CB 3.43Å; H512-E515 PolarHBondContact O-N 3.03Å; D513-E515 VanDerWaalsContact C-N 3.31Å; D513-E515 PolarHBondContact O-N 3.17Å; E515-E518 WeakPolarHBondContact O-CB 3.31Å
516	L	95.9	Very high	96.8	Very high	123 Å²	123	79.8 Å²	79.8	64%	0.644	36%	0.364	S	S	*	.	H	α-helix	trans	-63.9	-47.5	177.8	179.8	64.3	0	0	0	111.9	H512 D513 E518	H512-L516 PolarHBondContact O-N 3.15Å; H512-L516 VanDerWaalsContact O-N 3.08Å; D513-L516 PolarHBondContact O-N 3.39Å; L516-E518 PolarHBondContact O-N 2.9Å
517	L	97.2	Very high	96.7	Very high	24 Å²	24	84.4 Å²	84.4	13%	0.126	38%	0.384	C	S	.	.	H	α-helix	trans	-76.9	-4.8	-174.8	-66.4	170.9	0	0	0	113.3	P420 L422 D445 I446 D513 R519 K520	P420-L517 HydrophobicContact CB-CB 3.75Å; P420-L517 HydrophobicContact CB-CD1 4.09Å; P420-L517 HydrophobicContact CG-CB 3.87Å; P420-L517 WeakPolarHBondContact CG-O 3.01Å; L422-L517 HydrophobicContact CD1-CD1 4.02Å; L422-L517 HydrophobicContact CD2-CD1 4.38Å; L422-L517 HydrophobicContact CG-CD1 4.11Å; D445-L517 HydrophobicContact CB-CD1 3.74Å; D445-L517 HydrophobicContact CB-CD2 3.88Å; D445-L517 HydrophobicContact CB-CG 4.5Å; I446-L517 HydrophobicContact CG1-CD1 4.29Å; D513-L517 VanDerWaalsContact O-CB 3.27Å; D513-L517 WeakPolarHBondContact O-CB 3.33Å; D513-L517 VanDerWaalsContact O-CG 3.23Å; D513-L517 WeakPolarHBondContact O-CG 3.45Å; D513-L517 PolarHBondContact O-N 2.97Å; L517-R519 PolarHBondContact O-N 3.24Å; L517-K520 WeakPolarHBondContact O-CB 3.34Å; L517-K520 PolarHBondContact O-N 2.94Å
518	E	92.6	Very high	96.7	Very high	63 Å²	63	93.4 Å²	93.4	29%	0.294	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-27.3	172.7	-179.5	168	-146.6	0	0	112.5	K280 R345 L514 E515 L516	K280-E518 PolarHBondContact NZ-O 2.75Å; K280-E518 IonicContact NZ-OE1 3.82Å; R345-E518 IonicContact CZ-OE1 3.39Å; R345-E518 IonicContact CZ-OE2 3.27Å; R345-E518 IonicContact NH1-OE1 3.72Å; R345-E518 PolarHBondContact NH1-OE1 2.74Å; R345-E518 IonicContact NH1-OE2 3Å; R345-E518 PolarHBondContact NH1-OE2 2.85Å; R345-E518 VanDerWaalsContact NH1-OE2 3.16Å; R345-E518 IonicContact NH2-OE1 3.36Å; R345-E518 IonicContact NH2-OE2 2.82Å; R345-E518 PolarHBondContact NH2-OE2 3.15Å; L514-E518 PolarHBondContact O-N 2.99Å; L514-E518 VanDerWaalsContact O-N 3.12Å; E515-E518 WeakPolarHBondContact O-CB 3.31Å; L516-E518 PolarHBondContact O-N 2.9Å
519	R	93.3	Very high	96.8	Very high	221 Å²	221	98.8 Å²	98.8	83%	0.834	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	2.1	179.6	-61.5	-179	-177.8	142.3	3.4	113.9	L517 K521	L517-R519 PolarHBondContact O-N 3.24Å; R519-K521 PolarHBondContact O-N 3.28Å
520	K	97.3	Very high	96.7	Very high	47 Å²	47	95.5 Å²	95.5	20%	0.204	44%	0.438	C	S	.	.			trans	-55.1	129	179.3	-177.4	-178.7	178.6	-179.4	0	110	T418 V419 P420 D445 L517	T418-K520 WeakPolarHBondContact O-CD 3.35Å; T418-K520 WeakPolarHBondContact O-CE 3.48Å; T418-K520 PolarHBondContact O-NZ 3.03Å; V419-K520 PolarHBondContact O-NZ 3.02Å; P420-K520 HydrophobicContact CG-CB 4.41Å; P420-K520 HydrophobicContact CG-CD 4.35Å; D445-K520 WeakPolarHBondContact OD1-CD 3.5Å; D445-K520 WeakPolarHBondContact OD1-CE 3.42Å; D445-K520 IonicContact OD1-NZ 2.77Å; D445-K520 PolarHBondContact OD1-NZ 2.9Å; D445-K520 IonicContact OD2-NZ 3.8Å; D445-K520 PolarHBondContact OD2-NZ 3.36Å; L517-K520 WeakPolarHBondContact O-CB 3.34Å; L517-K520 PolarHBondContact O-N 2.94Å
521	K	95.9	Very high	96.7	Very high	200 Å²	200	103.1 Å²	103.1	87%	0.87	48%	0.478	S	S	*	.			trans	-131.7	118	170.4	-67.1	-174.1	-179.1	-176.4	0	107.8	R519	R519-K521 PolarHBondContact O-N 3.28Å
522	L	96.1	Very high	96.8	Very high	69 Å²	69	104.4 Å²	104.4	36%	0.361	48%	0.484	S	S	.	.			trans	-138.1	133.8	177.9	179.6	65.3	0	0	0	107.9	T418	T418-L522 HydrophobicContact CG2-CB 4.42Å; T418-L522 HydrophobicContact CG2-CD2 4.29Å; T418-L522 HydrophobicContact CG2-CG 4.26Å
523	E	96	Very high	96.8	Very high	183 Å²	183	102 Å²	102	86%	0.855	48%	0.476	S	S	*	.			trans	-114.4	139.5	177.5	-66.5	-177.8	179	0	0	109.9
524	N	97.3	Very high	96.8	Very high	56 Å²	56	108.2 Å²	108.2	30%	0.299	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-85.7	157.8	171.9	-81.3	-44.1	0	0	0	111	E416 T418 R443 W526	E416-N524 PolarHBondContact O-ND2 2.93Å; T418-N524 WeakPolarHBondContact CG2-ND2 3.17Å; R443-N524 PolarHBondContact NH1-OD1 2.84Å; N524-W526 PolarHBondContact O-N 3.14Å
525	P	98.3	Very high	96.7	Very high	92 Å²	92	113.4 Å²	113.4	60%	0.597	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-53.6	136.5	172.7	-25.5	34.1	0	0	0	112	K527	P525-K527 WeakPolarHBondContact O-CE 3.49Å; P525-K527 PolarHBondContact O-N 3.18Å
526	W	98.2	Very high	96.8	Very high	241 Å²	241	113.5 Å²	113.5	91%	0.913	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-59.3	135.8	-178.8	-178.9	88.9	0	0	0	111.9	N524	N524-W526 PolarHBondContact O-N 3.14Å
527	K	98.2	Very high	96.9	Very high	98 Å²	98	112.9 Å²	112.9	43%	0.426	53%	0.527	S	S	.	.			trans	-161.6	160.6	176.1	65.6	-168.4	83.7	171.8	0	109.3	P525 H529	P525-K527 WeakPolarHBondContact O-CE 3.49Å; P525-K527 PolarHBondContact O-N 3.18Å; K527-H529 WeakPolarHBondContact CD-O 3.43Å; K527-H529 WeakPolarHBondContact CG-O 3.41Å
528	K	98	Very high	96.9	Very high	188 Å²	188	118.2 Å²	118.2	82%	0.817	55%	0.551	S	S	*	*	S	Bend	trans	-62.5	-47.9	172.8	-72.2	-176.1	65.9	-178.6	0	111.9
529	H	98.3	Very high	97.1	Very high	143 Å²	143	121.6 Å²	121.6	66%	0.662	57%	0.567	S	S	*	*	S	Bend	trans	-163.1	172	171.1	54.6	80	0	0	0	107.8	K527	K527-H529 WeakPolarHBondContact CD-O 3.43Å; K527-H529 WeakPolarHBondContact CG-O 3.41Å
530	S	97.4	Very high	97.4	Very high	20 Å²	20	115 Å²	115	14%	0.14	55%	0.549	C	S	.	.			trans	-79.8	163.3	177.5	92.3	0	0	0	0	111.3	F412 E416	F412-S530 WeakPolarHBondContact CE1-OG 3.29Å; F412-S530 WeakPolarHBondContact CZ-OG 3.43Å; E416-S530 WeakPolarHBondContact OE1-CB 3.41Å; E416-S530 PolarHBondContact OE1-OG 3.39Å
531	N	98	Very high	97.4	Very high	159 Å²	159	119.9 Å²	119.9	85%	0.85	57%	0.573	S	S	*	*			trans	-118.9	56.2	177.4	-171	33.8	0	0	0	109.7
532	M	97.6	Very high	97.5	Very high	38 Å²	38	113.7 Å²	113.7	19%	0.187	55%	0.551	C	S	.	*			trans	-64.3	152.5	-178.8	69.1	175.5	-76.6	0	0	111.5	R374 K409 F412 L534	R374-M532 PolarHBondContact NH1-SD 2.92Å; K409-M532 HydrophobicContact CB-CE 4.44Å; K409-M532 HydrophobicContact CG-CE 4.34Å; F412-M532 HydrophobicContact CD1-CB 3.66Å; F412-M532 HydrophobicContact CD2-CB 4.04Å; F412-M532 HydrophobicContact CE1-CB 3.7Å; F412-M532 HydrophobicContact CE2-CB 4.07Å; F412-M532 HydrophobicContact CG-CB 3.85Å; F412-M532 HydrophobicContact CZ-CB 3.92Å; M532-L534 HydrophobicContact CG-CD2 4.28Å; M532-L534 PolarHBondContact O-N 3.17Å
533	P	98	Very high	97.6	Very high	39 Å²	39	117.4 Å²	117.4	25%	0.253	57%	0.566	S	S	.	*			trans	-57.6	136	170.1	-21.9	32.9	0	0	0	111.9	R405 A408 K409	R405-P533 HydrophobicContact CG-CB 3.77Å; A408-P533 HydrophobicContact CB-CG 4.1Å; K409-P533 WeakPolarHBondContact CE-O 3.15Å; K409-P533 HydrophobicContact CG-CB 4.33Å
534	L	96.6	Very high	97.8	Very high	152 Å²	152	111.5 Å²	111.5	80%	0.796	54%	0.54	S	S	*	.			trans	-107	0	177.6	-61.2	-177.5	0	0	0	112.5	R405 K409 M532	R405-L534 VanDerWaalsContact CD-O 3.31Å; R405-L534 WeakPolarHBondContact CD-O 3.42Å; R405-L534 PolarHBondContact NE-O 3.44Å; R405-L534 PolarHBondContact NH1-O 2.67Å; K409-L534 WeakPolarHBondContact CE-OXT 3.33Å; K409-L534 PolarHBondContact NZ-OXT 2.92Å; M532-L534 HydrophobicContact CG-CD2 4.28Å; M532-L534 PolarHBondContact O-N 3.17Å

Retrieved 534 of 534 residues in 440.1 ms (Link to these results)

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