G4VIT0_SCHMA Loading...

alkaline phosphatase

AlphaFold DB , UniProt , Accession G4VIT0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 352 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	41.3	Very low	59.3	Low	212 Å²	212	117.6 Å²	117.6	100%	1.044	66%	0.658	S	S	*	*				0	-24.9	0	-72.5	-154.8	171.1	0	0	114.4	P3	M1-P3 VanDerWaalsContact C-CD 3.47Å
2	L	45.9	Very low	61	Low	142 Å²	142	115.8 Å²	115.8	74%	0.743	66%	0.655	S	S	*	*	H	α-helix	trans	-61.4	-34.1	179.5	-90.2	99.5	0	0	0	117.6	N4 V5	L2-N4 VanDerWaalsContact C-N 3.31Å; L2-N4 PolarHBondContact O-N 3.16Å; L2-V5 PolarHBondContact O-N 3.23Å
3	P	49.7	Very low	62.4	Low	103 Å²	103	113.9 Å²	113.9	67%	0.669	64%	0.642	S	S	*	*	H	α-helix	trans	-65	-33.6	-175	-22	32.1	0	0	0	113.6	M1	M1-P3 VanDerWaalsContact C-CD 3.47Å
4	N	51.9	Low	63.6	Low	131 Å²	131	110.4 Å²	110.4	70%	0.701	62%	0.62	S	S	*	*	H	α-helix	trans	-82.3	-22.7	-174.8	-71.6	0.7	0	0	0	113.5	L2	L2-N4 VanDerWaalsContact C-N 3.31Å; L2-N4 PolarHBondContact O-N 3.16Å
5	V	56.7	Low	64.8	Low	101 Å²	101	113.3 Å²	113.3	61%	0.612	62%	0.623	S	S	*	*	H	α-helix	trans	-76.2	-29.8	-178.6	-177.6	0	0	0	0	111.6	L2 T8	L2-V5 PolarHBondContact O-N 3.23Å; V5-T8 PolarHBondContact O-OG1 3.45Å
6	L	54.9	Low	65.8	Low	96 Å²	96	115.1 Å²	115.1	50%	0.503	62%	0.624	S	S	.	*	H	α-helix	trans	-76.6	-22.9	179	-77.6	156.8	0	0	0	113.1	T8 L14	L6-T8 VanDerWaalsContact C-N 3.34Å; L6-L14 HydrophobicContact CD2-CD2 3.72Å
7	S	63.6	Low	66.6	Low	105 Å²	105	112.7 Å²	112.7	73%	0.734	61%	0.609	S	S	*	*	S	Bend	trans	-75	-22.5	179.6	-177.2	0	0	0	0	113.5
8	T	68.5	Low	67.2	Low	118 Å²	118	109.5 Å²	109.5	72%	0.724	60%	0.601	S	S	*	*	S	Bend	trans	-106	-3.4	-176.2	56.3	0	0	0	0	113.2	V5 L6	V5-T8 PolarHBondContact O-OG1 3.45Å; L6-T8 VanDerWaalsContact C-N 3.34Å
9	A	68	Low	67.8	Low	24 Å²	24	106.7 Å²	106.7	20%	0.198	59%	0.587	C	S	.	*	S	Bend	trans	-69.1	133	179.1	0	0	0	0	0	110.9	K11 L13 L14	A9-K11 PolarHBondContact O-N 3.33Å; A9-L13 HydrophobicContact CB-CD2 4.38Å; A9-L14 HydrophobicContact CB-CD1 4.17Å; A9-L14 HydrophobicContact CB-CG 4.05Å
10	P	74	Confident	68.2	Low	81 Å²	81	105.2 Å²	105.2	53%	0.526	58%	0.577	S	S	.	*			trans	-58	136	174.3	-5.2	8.8	0	0	0	110.4	P12 L13 L14	P10-P12 VanDerWaalsContact C-N 3.27Å; P10-P12 HydrophobicContact CB-CG 4.25Å; P10-P12 VanDerWaalsContact O-N 3.07Å; P10-L13 WeakPolarHBondContact O-CA 3.3Å; P10-L13 WeakPolarHBondContact O-CB 3.24Å; P10-L13 PolarHBondContact O-N 3.19Å; P10-L14 PolarHBondContact O-N 3.39Å
11	K	77.9	Confident	68.3	Low	181 Å²	181	105.4 Å²	105.4	79%	0.787	58%	0.577	S	S	*	*	H	α-helix	trans	-41.4	-43.5	177.4	-71	-175.8	-178.5	179	0	114.8	A9 L13 L14 F15	A9-K11 PolarHBondContact O-N 3.33Å; K11-L13 VanDerWaalsContact C-N 3.33Å; K11-L13 PolarHBondContact O-N 3.28Å; K11-L14 PolarHBondContact O-N 3.11Å; K11-F15 PolarHBondContact O-N 2.65Å
12	P	79.2	Confident	69.6	Low	95 Å²	95	98.9 Å²	98.9	62%	0.617	55%	0.553	S	S	*	*	H	α-helix	trans	-64.5	-32.4	177.2	18.5	-29.2	0	0	0	114.1	P10 F15 F16	P10-P12 VanDerWaalsContact C-N 3.27Å; P10-P12 HydrophobicContact CB-CG 4.25Å; P10-P12 VanDerWaalsContact O-N 3.07Å; P12-F15 PolarHBondContact O-N 3.42Å; P12-F16 PolarHBondContact O-N 2.94Å
13	L	80.3	Confident	70.8	Confident	92 Å²	92	98.6 Å²	98.6	48%	0.482	55%	0.551	S	S	.	*	H	α-helix	trans	-70.1	-40.9	176.4	-172.8	68	0	0	0	111.5	A9 P10 K11 F15 F16 I17	A9-L13 HydrophobicContact CB-CD2 4.38Å; P10-L13 WeakPolarHBondContact O-CA 3.3Å; P10-L13 WeakPolarHBondContact O-CB 3.24Å; P10-L13 PolarHBondContact O-N 3.19Å; K11-L13 VanDerWaalsContact C-N 3.33Å; K11-L13 PolarHBondContact O-N 3.28Å; L13-F15 VanDerWaalsContact C-N 3.31Å; L13-F15 PolarHBondContact O-N 3.18Å; L13-F16 PolarHBondContact O-N 3.27Å; L13-I17 HydrophobicContact CG-CD1 4.29Å; L13-I17 WeakPolarHBondContact O-CG1 3.27Å; L13-I17 PolarHBondContact O-N 3.24Å
14	L	79	Confident	71.5	Confident	65 Å²	65	101.6 Å²	101.6	34%	0.34	55%	0.55	S	S	.	*	H	α-helix	trans	-60.7	-41.5	172.2	-83.2	156.4	0	0	0	111.5	L6 A9 P10 K11 I17 A18	L6-L14 HydrophobicContact CD2-CD2 3.72Å; A9-L14 HydrophobicContact CB-CD1 4.17Å; A9-L14 HydrophobicContact CB-CG 4.05Å; P10-L14 PolarHBondContact O-N 3.39Å; K11-L14 PolarHBondContact O-N 3.11Å; L14-I17 PolarHBondContact O-N 3.27Å; L14-A18 WeakPolarHBondContact O-CB 3.46Å; L14-A18 PolarHBondContact O-N 3.47Å
15	F	81.1	Confident	71.8	Confident	153 Å²	153	103.2 Å²	103.2	67%	0.671	55%	0.551	S	S	*	*	H	α-helix	trans	-64	-42.8	175.3	-158.5	-93.4	0	0	0	111.4	K11 P12 L13 A18 V19	K11-F15 PolarHBondContact O-N 2.65Å; P12-F15 PolarHBondContact O-N 3.42Å; L13-F15 VanDerWaalsContact C-N 3.31Å; L13-F15 PolarHBondContact O-N 3.18Å; F15-A18 PolarHBondContact O-N 3Å; F15-V19 HydrophobicContact CD1-CG2 3.93Å; F15-V19 HydrophobicContact CE1-CG2 3.83Å; F15-V19 VanDerWaalsContact O-CG2 3.29Å; F15-V19 WeakPolarHBondContact O-CG2 3.46Å; F15-V19 PolarHBondContact O-N 3.21Å
16	F	81.4	Confident	72	Confident	143 Å²	143	104.8 Å²	104.8	63%	0.627	56%	0.555	S	S	*	*	H	α-helix	trans	-63.4	-42.6	176.9	-128.2	-90.3	0	0	0	112.4	P12 L13 V19 I20	P12-F16 PolarHBondContact O-N 2.94Å; L13-F16 PolarHBondContact O-N 3.27Å; F16-V19 PolarHBondContact O-N 3.04Å; F16-I20 HydrophobicContact CD1-CD1 3.93Å; F16-I20 HydrophobicContact CD1-CG1 4.41Å; F16-I20 WeakPolarHBondContact O-CB 3.3Å; F16-I20 VanDerWaalsContact O-CG1 3.25Å; F16-I20 WeakPolarHBondContact O-CG1 3.44Å; F16-I20 PolarHBondContact O-N 3Å
17	I	79.7	Confident	72.2	Confident	74 Å²	74	107.7 Å²	107.7	38%	0.379	57%	0.566	S	S	.	*	H	α-helix	trans	-64.1	-42.5	175	-67.7	167.7	0	0	0	110.6	L13 L14 V19 I20 L21	L13-I17 HydrophobicContact CG-CD1 4.29Å; L13-I17 WeakPolarHBondContact O-CG1 3.27Å; L13-I17 PolarHBondContact O-N 3.24Å; L14-I17 PolarHBondContact O-N 3.27Å; I17-V19 PolarHBondContact O-N 2.81Å; I17-I20 PolarHBondContact O-N 3.42Å; I17-L21 HydrophobicContact CG2-CD1 3.76Å; I17-L21 HydrophobicContact CG2-CG 4.28Å; I17-L21 WeakPolarHBondContact O-CB 3.41Å; I17-L21 VanDerWaalsContact O-CG 3.28Å; I17-L21 WeakPolarHBondContact O-CG 3.42Å; I17-L21 PolarHBondContact O-N 3.33Å
18	A	77.1	Confident	72.2	Confident	55 Å²	55	108 Å²	108	46%	0.455	57%	0.566	S	S	.	*	H	α-helix	trans	-64	-39.2	177.2	0	0	0	0	0	112.3	L14 F15 L21 S22	L14-A18 WeakPolarHBondContact O-CB 3.46Å; L14-A18 PolarHBondContact O-N 3.47Å; F15-A18 PolarHBondContact O-N 3Å; A18-L21 PolarHBondContact O-N 2.98Å; A18-S22 WeakPolarHBondContact O-CB 3.48Å; A18-S22 PolarHBondContact O-N 2.89Å; A18-S22 PolarHBondContact O-OG 3.17Å
19	V	79	Confident	72.1	Confident	57 Å²	57	112.4 Å²	112.4	35%	0.345	58%	0.576	S	S	.	*	H	α-helix	trans	-67.6	-42.8	174.2	171.8	0	0	0	0	111	F15 F16 I17 L21 S22 L23	F15-V19 HydrophobicContact CD1-CG2 3.93Å; F15-V19 HydrophobicContact CE1-CG2 3.83Å; F15-V19 VanDerWaalsContact O-CG2 3.29Å; F15-V19 WeakPolarHBondContact O-CG2 3.46Å; F15-V19 PolarHBondContact O-N 3.21Å; F16-V19 PolarHBondContact O-N 3.04Å; I17-V19 PolarHBondContact O-N 2.81Å; V19-L21 PolarHBondContact O-N 3.23Å; V19-S22 WeakPolarHBondContact CA-OG 3.48Å; V19-S22 PolarHBondContact O-N 3.08Å; V19-S22 PolarHBondContact O-OG 2.86Å; V19-L23 HydrophobicContact CG1-CD1 3.89Å; V19-L23 HydrophobicContact CG1-CG 4.34Å; V19-L23 WeakPolarHBondContact O-CB 3.41Å; V19-L23 WeakPolarHBondContact O-CG 3.05Å; V19-L23 PolarHBondContact O-N 3.12Å
20	I	75	Confident	72.1	Confident	75 Å²	75	116.7 Å²	116.7	39%	0.385	60%	0.604	S	S	.	*	H	α-helix	trans	-61	-46.7	174.7	-71	168.4	0	0	0	109.9	F16 I17 S22 L23 Y24	F16-I20 HydrophobicContact CD1-CD1 3.93Å; F16-I20 HydrophobicContact CD1-CG1 4.41Å; F16-I20 WeakPolarHBondContact O-CB 3.3Å; F16-I20 VanDerWaalsContact O-CG1 3.25Å; F16-I20 WeakPolarHBondContact O-CG1 3.44Å; F16-I20 PolarHBondContact O-N 3Å; I17-I20 PolarHBondContact O-N 3.42Å; I20-S22 VanDerWaalsContact C-N 3.29Å; I20-S22 PolarHBondContact O-N 2.82Å; I20-L23 PolarHBondContact O-N 3.43Å; I20-Y24 HydrophobicContact CG2-CD2 3.67Å; I20-Y24 HydrophobicContact CG2-CE2 3.68Å; I20-Y24 WeakPolarHBondContact O-CD2 3.48Å; I20-Y24 PolarHBondContact O-N 2.89Å
21	L	70.6	Confident	71.9	Confident	110 Å²	110	116.1 Å²	116.1	58%	0.576	60%	0.602	S	S	*	*	H	α-helix	trans	-66	-28	177	-72.4	170.2	0	0	0	113.1	I17 A18 V19 Y24	I17-L21 HydrophobicContact CG2-CD1 3.76Å; I17-L21 HydrophobicContact CG2-CG 4.28Å; I17-L21 WeakPolarHBondContact O-CB 3.41Å; I17-L21 VanDerWaalsContact O-CG 3.28Å; I17-L21 WeakPolarHBondContact O-CG 3.42Å; I17-L21 PolarHBondContact O-N 3.33Å; A18-L21 PolarHBondContact O-N 2.98Å; V19-L21 PolarHBondContact O-N 3.23Å; L21-Y24 CarbonylContact O-C 3.47Å; L21-Y24 VanDerWaalsContact O-C 3.3Å
22	S	69.3	Low	72.1	Confident	76 Å²	76	113.4 Å²	113.4	53%	0.531	61%	0.606	S	S	.	*	H	α-helix	trans	-79.5	-29.4	174.3	74.6	0	0	0	0	112.6	A18 V19 I20 K25	A18-S22 WeakPolarHBondContact O-CB 3.48Å; A18-S22 PolarHBondContact O-N 2.89Å; A18-S22 PolarHBondContact O-OG 3.17Å; V19-S22 WeakPolarHBondContact CA-OG 3.48Å; V19-S22 PolarHBondContact O-N 3.08Å; V19-S22 PolarHBondContact O-OG 2.86Å; I20-S22 VanDerWaalsContact C-N 3.29Å; I20-S22 PolarHBondContact O-N 2.82Å; S22-K25 PolarHBondContact O-N 3.04Å
23	L	70.5	Confident	72.5	Confident	135 Å²	135	111.9 Å²	111.9	71%	0.707	59%	0.592	S	S	*	*	H	α-helix	trans	-71.5	-39.3	171.3	-71.3	167.8	0	0	0	111.4	V19 I20 K25	V19-L23 HydrophobicContact CG1-CD1 3.89Å; V19-L23 HydrophobicContact CG1-CG 4.34Å; V19-L23 WeakPolarHBondContact O-CB 3.41Å; V19-L23 WeakPolarHBondContact O-CG 3.05Å; V19-L23 PolarHBondContact O-N 3.12Å; I20-L23 PolarHBondContact O-N 3.43Å; L23-K25 PolarHBondContact O-N 2.91Å
24	Y	64.9	Low	73.1	Confident	167 Å²	167	112 Å²	112	66%	0.655	59%	0.593	S	S	*	*	S	Bend	trans	-76.2	68.9	161	-70.5	-77.9	0	0	0	108.6	I20 L21 I26	I20-Y24 HydrophobicContact CG2-CD2 3.67Å; I20-Y24 HydrophobicContact CG2-CE2 3.68Å; I20-Y24 WeakPolarHBondContact O-CD2 3.48Å; I20-Y24 PolarHBondContact O-N 2.89Å; L21-Y24 CarbonylContact O-C 3.47Å; L21-Y24 VanDerWaalsContact O-C 3.3Å; Y24-I26 PolarHBondContact O-N 2.92Å
25	K	57.4	Low	73.7	Confident	164 Å²	164	109.9 Å²	109.9	71%	0.713	58%	0.583	S	S	*	*			trans	-54.8	90.5	153.8	-80.2	-173.1	179.3	179.8	0	106.1	S22 L23 E27	S22-K25 PolarHBondContact O-N 3.04Å; L23-K25 PolarHBondContact O-N 2.91Å; K25-E27 PolarHBondContact O-N 3.43Å
26	I	61	Low	74.4	Confident	135 Å²	135	104.1 Å²	104.1	69%	0.692	56%	0.563	S	S	*	*			trans	-66.2	83.3	157.6	-58.5	174.1	0	0	0	102.2	Y24 C28	Y24-I26 PolarHBondContact O-N 2.92Å; I26-C28 PolarHBondContact O-N 3.04Å
27	E	58	Low	75	Confident	157 Å²	157	99.7 Å²	99.7	73%	0.734	55%	0.546	S	S	*	.			trans	-59.6	98.7	162.4	-97.3	173.5	-178.4	0	0	104.5	K25 K29	K25-E27 PolarHBondContact O-N 3.43Å; E27-K29 VanDerWaalsContact C-N 3.34Å; E27-K29 PolarHBondContact O-N 3.19Å
28	C	64.6	Low	75.8	Confident	111 Å²	111	96.9 Å²	96.9	75%	0.75	53%	0.533	S	S	*	.			trans	-53.2	108.1	165	-77.9	0	0	0	0	105.5	I26 S30	I26-C28 PolarHBondContact O-N 3.04Å; C28-S30 PolarHBondContact O-N 3.36Å
29	K	66.7	Low	76.6	Confident	211 Å²	211	96 Å²	96	92%	0.917	53%	0.529	S	S	*	.			trans	-51.3	114.4	175.7	-72	-178.8	177	179.8	0	107.6	E27	E27-K29 VanDerWaalsContact C-N 3.34Å; E27-K29 PolarHBondContact O-N 3.19Å
30	S	66.7	Low	77.4	Confident	113 Å²	113	93.5 Å²	93.5	79%	0.79	51%	0.514	S	S	*	.			trans	-84.6	140.9	173.1	56.4	0	0	0	0	108.9	C28	C28-S30 PolarHBondContact O-N 3.36Å
31	S	70.7	Confident	78.4	Confident	70 Å²	70	92.2 Å²	92.2	49%	0.49	50%	0.504	S	S	.	.			trans	-69.7	143.4	165.4	166	0	0	0	0	108.5	L33	S31-L33 WeakPolarHBondContact CB-O 3.27Å; S31-L33 PolarHBondContact O-N 2.65Å; S31-L33 PolarHBondContact OG-N 3.49Å; S31-L33 VanDerWaalsContact OG-N 3.1Å; S31-L33 PolarHBondContact OG-O 3.47Å
32	S	80.9	Confident	79.6	Confident	124 Å²	124	92.9 Å²	92.9	87%	0.867	50%	0.502	S	S	*	.	S	Bend	trans	-62.1	-21.8	171.3	56.7	0	0	0	0	112.4
33	L	88.5	Confident	80.9	Confident	62 Å²	62	95.1 Å²	95.1	33%	0.325	50%	0.499	S	S	.	.	S	Bend	trans	-109.6	139.6	175.1	-64	172.2	0	0	0	110.4	S31 V35 T40 L44	S31-L33 WeakPolarHBondContact CB-O 3.27Å; S31-L33 PolarHBondContact O-N 2.65Å; S31-L33 PolarHBondContact OG-N 3.49Å; S31-L33 VanDerWaalsContact OG-N 3.1Å; S31-L33 PolarHBondContact OG-O 3.47Å; L33-V35 VanDerWaalsContact C-N 3.26Å; L33-V35 HydrophobicContact CB-CG2 4.45Å; L33-V35 PolarHBondContact O-N 3.24Å; L33-T40 HydrophobicContact CB-CG2 4.32Å; L33-T40 HydrophobicContact CD2-CG2 4.27Å; L33-L44 HydrophobicContact CD1-CD1 4.03Å; L33-L44 HydrophobicContact CD2-CD1 4.2Å
34	N	92.4	Very high	82.1	Confident	95 Å²	95	90.4 Å²	90.4	51%	0.508	48%	0.475	S	S	.	.			trans	-74.9	83.3	165.6	-172.1	-5.7	0	0	0	109.8	A36 D37 T40	N34-A36 PolarHBondContact O-N 3.19Å; N34-A36 PolarHBondContact OD1-N 2.92Å; N34-D37 HydrophobicContact CB-CB 4.06Å; N34-D37 VanDerWaalsContact CG-CB 3.49Å; N34-D37 WeakPolarHBondContact ND2-CB 2.86Å; N34-D37 PolarHBondContact O-N 3.29Å; N34-D37 VanDerWaalsContact O-N 3.14Å; N34-D37 PolarHBondContact OD1-N 2.65Å; N34-T40 WeakPolarHBondContact O-CB 2.92Å; N34-T40 PolarHBondContact O-OG1 2.94Å
35	V	93.1	Very high	83.6	Confident	21 Å²	21	84.2 Å²	84.2	13%	0.127	46%	0.458	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-29.2	-177.4	173.1	0	0	0	0	112.3	L33 D37 W41 F114 K135	L33-V35 VanDerWaalsContact C-N 3.26Å; L33-V35 HydrophobicContact CB-CG2 4.45Å; L33-V35 PolarHBondContact O-N 3.24Å; V35-D37 VanDerWaalsContact C-N 3.35Å; V35-W41 HydrophobicContact CB-CZ2 4.23Å; V35-W41 HydrophobicContact CG1-CZ2 3.92Å; V35-W41 HydrophobicContact CG2-CZ2 4.31Å; V35-W41 PolarHBondContact O-NE1 3.14Å; V35-F114 HydrophobicContact CG1-CE2 3.68Å; V35-F114 HydrophobicContact CG2-CE2 4.35Å; V35-K135 HydrophobicContact CG1-CB 4.05Å; V35-K135 HydrophobicContact CG1-CG 4.1Å
36	A	93.9	Very high	85.5	Confident	31 Å²	31	79.1 Å²	79.1	26%	0.256	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-23.8	-178.8	0	0	0	0	0	113.2	N34 P38 G145 T146	N34-A36 PolarHBondContact O-N 3.19Å; N34-A36 PolarHBondContact OD1-N 2.92Å; A36-P38 WeakPolarHBondContact O-CD 3.47Å; A36-G145 WeakPolarHBondContact CB-O 3.19Å; A36-G145 CarbonylContact O-C 3.52Å; A36-G145 VanDerWaalsContact O-C 3.3Å; A36-G145 WeakPolarHBondContact O-CA 3.28Å; A36-G145 PolarHBondContact O-N 3.48Å; A36-T146 PolarHBondContact O-N 3.37Å
37	D	95	Very high	87.2	Confident	51 Å²	51	77.6 Å²	77.6	27%	0.273	43%	0.428	S	S	.	.			trans	-84.3	118.9	-174.4	166.1	40	0	0	0	111.6	N34 V35 G39 T40 W41	N34-D37 HydrophobicContact CB-CB 4.06Å; N34-D37 VanDerWaalsContact CG-CB 3.49Å; N34-D37 WeakPolarHBondContact ND2-CB 2.86Å; N34-D37 PolarHBondContact O-N 3.29Å; N34-D37 VanDerWaalsContact O-N 3.14Å; N34-D37 PolarHBondContact OD1-N 2.65Å; V35-D37 VanDerWaalsContact C-N 3.35Å; D37-G39 PolarHBondContact O-N 2.9Å; D37-G39 PolarHBondContact OD1-N 3.34Å; D37-T40 WeakPolarHBondContact O-CB 3.41Å; D37-T40 PolarHBondContact O-N 2.97Å; D37-T40 PolarHBondContact OD2-N 3.32Å; D37-T40 PolarHBondContact OD2-OG1 3.29Å; D37-W41 VanDerWaalsContact O-CD1 3.28Å
38	P	95.5	Very high	88.9	Confident	15 Å²	15	79.2 Å²	79.2	10%	0.097	43%	0.428	C	S	.	.	H	α-helix	trans	-61.5	-27.8	175.4	26.4	-34.9	0	0	0	112.9	A36 T40 W41 K42 V134 T144 L158	A36-P38 WeakPolarHBondContact O-CD 3.47Å; P38-T40 VanDerWaalsContact C-N 3.34Å; P38-T40 PolarHBondContact O-N 3.34Å; P38-W41 PolarHBondContact O-N 2.66Å; P38-K42 PolarHBondContact O-N 3.08Å; P38-V134 HydrophobicContact CB-CB 4.43Å; P38-V134 HydrophobicContact CB-CG1 3.79Å; P38-T144 HydrophobicContact CB-CG2 4.11Å; P38-T144 HydrophobicContact CG-CG2 4.23Å; P38-L158 HydrophobicContact CG-CD1 3.91Å; P38-L158 HydrophobicContact CG-CG 4.34Å
39	G	95.8	Very high	90.3	Very high	36 Å²	36	80 Å²	80	37%	0.371	42%	0.419	S	S	.	.	H	α-helix	trans	-63.9	-38.3	176.6	0	0	0	0	0	112.7	D37 W41 K42 R43	D37-G39 PolarHBondContact O-N 2.9Å; D37-G39 PolarHBondContact OD1-N 3.34Å; G39-W41 VanDerWaalsContact C-N 3.32Å; G39-W41 PolarHBondContact O-N 3.3Å; G39-K42 PolarHBondContact O-N 2.95Å; G39-R43 WeakPolarHBondContact O-CB 3.44Å; G39-R43 PolarHBondContact O-N 3.1Å
40	T	95.7	Very high	91.6	Very high	5 Å²	5	74 Å²	74	3%	0.031	40%	0.397	C	S	.	.	H	α-helix	trans	-58.9	-43.1	173.8	-68.2	0	0	0	0	111.7	L33 N34 D37 P38 L44	L33-T40 HydrophobicContact CB-CG2 4.32Å; L33-T40 HydrophobicContact CD2-CG2 4.27Å; N34-T40 WeakPolarHBondContact O-CB 2.92Å; N34-T40 PolarHBondContact O-OG1 2.94Å; D37-T40 WeakPolarHBondContact O-CB 3.41Å; D37-T40 PolarHBondContact O-N 2.97Å; D37-T40 PolarHBondContact OD2-N 3.32Å; D37-T40 PolarHBondContact OD2-OG1 3.29Å; P38-T40 VanDerWaalsContact C-N 3.34Å; P38-T40 PolarHBondContact O-N 3.34Å; T40-L44 HydrophobicContact CG2-CD1 4.35Å; T40-L44 WeakPolarHBondContact O-CG 3.2Å; T40-L44 PolarHBondContact O-N 3.46Å; T40-L44 VanDerWaalsContact O-N 3.14Å
41	W	95.3	Very high	93	Very high	47 Å²	47	76.3 Å²	76.3	18%	0.178	39%	0.393	C	S	.	.	H	α-helix	trans	-70.5	-40.7	178.1	-63.9	106.3	0	0	0	113	V35 D37 P38 G39 L44 A45 F114 G133 V134 K135	V35-W41 HydrophobicContact CB-CZ2 4.23Å; V35-W41 HydrophobicContact CG1-CZ2 3.92Å; V35-W41 HydrophobicContact CG2-CZ2 4.31Å; V35-W41 PolarHBondContact O-NE1 3.14Å; D37-W41 VanDerWaalsContact O-CD1 3.28Å; P38-W41 PolarHBondContact O-N 2.66Å; G39-W41 VanDerWaalsContact C-N 3.32Å; G39-W41 PolarHBondContact O-N 3.3Å; W41-L44 HydrophobicContact CE3-CD1 4.29Å; W41-L44 HydrophobicContact CZ3-CD1 4.3Å; W41-L44 PolarHBondContact O-N 3.23Å; W41-A45 WeakPolarHBondContact O-CB 3.4Å; W41-A45 PolarHBondContact O-N 2.96Å; W41-F114 HydrophobicContact CH2-CZ 4.22Å; W41-G133 VanDerWaalsContact CB-O 3.29Å; W41-G133 WeakPolarHBondContact CB-O 3.26Å; W41-V134 HydrophobicContact CB-CG1 4.44Å; W41-K135 HydrophobicContact CD2-CG 4.29Å; W41-K135 VanDerWaalsContact CE2-CG 3.42Å; W41-K135 HydrophobicContact CH2-CG 3.89Å; W41-K135 HydrophobicContact CZ2-CB 4.09Å; W41-K135 HydrophobicContact CZ2-CD 4.39Å; W41-K135 HydrophobicContact CZ2-CG 3.22Å
42	K	95.8	Very high	94	Very high	124 Å²	124	76.9 Å²	76.9	54%	0.539	39%	0.386	S	S	.	.	H	α-helix	trans	-59.6	-48	175.6	177.6	53.8	176.6	157.3	0	111.1	P38 G39 L44 A45 D46	P38-K42 PolarHBondContact O-N 3.08Å; G39-K42 PolarHBondContact O-N 2.95Å; K42-L44 PolarHBondContact O-N 3.04Å; K42-A45 WeakPolarHBondContact O-CB 3.26Å; K42-A45 PolarHBondContact O-N 3.05Å; K42-A45 VanDerWaalsContact O-N 3.14Å; K42-D46 WeakPolarHBondContact CD-OD2 3.31Å; K42-D46 WeakPolarHBondContact CE-OD1 3.36Å; K42-D46 WeakPolarHBondContact CE-OD2 3.34Å; K42-D46 IonicContact NZ-OD1 3.7Å; K42-D46 PolarHBondContact NZ-OD1 3.19Å; K42-D46 IonicContact NZ-OD2 4Å; K42-D46 PolarHBondContact NZ-OD2 2.89Å; K42-D46 VanDerWaalsContact O-CG 3.31Å; K42-D46 PolarHBondContact O-N 3.09Å
43	R	97.1	Very high	94.5	Very high	124 Å²	124	75.4 Å²	75.4	47%	0.468	37%	0.366	S	S	.	.	H	α-helix	trans	-56.8	-48.6	176.1	-178.4	-179.1	62.9	-122.2	-6.4	112.1	G39 A45 D46 E47	G39-R43 WeakPolarHBondContact O-CB 3.44Å; G39-R43 PolarHBondContact O-N 3.1Å; R43-A45 VanDerWaalsContact C-N 3.28Å; R43-A45 PolarHBondContact O-N 3.11Å; R43-D46 PolarHBondContact O-N 2.94Å; R43-E47 HydrophobicContact CG-CG 4.5Å; R43-E47 WeakPolarHBondContact CG-OE1 3.36Å; R43-E47 IonicContact NE-OE1 3.86Å; R43-E47 WeakPolarHBondContact O-CG 3.33Å; R43-E47 PolarHBondContact O-N 3.38Å
44	L	95.6	Very high	94.6	Very high	36 Å²	36	80.4 Å²	80.4	19%	0.188	39%	0.387	C	S	.	.	H	α-helix	trans	-64.2	-32.6	178.4	-70.7	174.1	0	0	0	113	L33 T40 W41 K42 R48	L33-L44 HydrophobicContact CD1-CD1 4.03Å; L33-L44 HydrophobicContact CD2-CD1 4.2Å; T40-L44 HydrophobicContact CG2-CD1 4.35Å; T40-L44 WeakPolarHBondContact O-CG 3.2Å; T40-L44 PolarHBondContact O-N 3.46Å; T40-L44 VanDerWaalsContact O-N 3.14Å; W41-L44 HydrophobicContact CE3-CD1 4.29Å; W41-L44 HydrophobicContact CZ3-CD1 4.3Å; W41-L44 PolarHBondContact O-N 3.23Å; K42-L44 PolarHBondContact O-N 3.04Å; L44-R48 VanDerWaalsContact O-CG 3.26Å; L44-R48 WeakPolarHBondContact O-CG 3.3Å; L44-R48 PolarHBondContact O-N 3.34Å
45	A	95.3	Very high	94.6	Very high	37 Å²	37	77.6 Å²	77.6	31%	0.306	38%	0.375	S	S	.	.	H	α-helix	trans	-67.9	-46.8	174.3	0	0	0	0	0	110.6	W41 K42 R43 R48 F49	W41-A45 WeakPolarHBondContact O-CB 3.4Å; W41-A45 PolarHBondContact O-N 2.96Å; K42-A45 WeakPolarHBondContact O-CB 3.26Å; K42-A45 PolarHBondContact O-N 3.05Å; K42-A45 VanDerWaalsContact O-N 3.14Å; R43-A45 VanDerWaalsContact C-N 3.28Å; R43-A45 PolarHBondContact O-N 3.11Å; A45-R48 PolarHBondContact O-N 2.69Å; A45-F49 WeakPolarHBondContact O-CD2 3.4Å; A45-F49 PolarHBondContact O-N 2.92Å
46	D	97.1	Very high	94.4	Very high	56 Å²	56	81 Å²	81	30%	0.299	40%	0.4	S	S	.	.	H	α-helix	trans	-61.5	-48.3	179.4	-66.2	-20.5	0	0	0	111.1	K42 R43 R48 F49 D50	K42-D46 WeakPolarHBondContact CD-OD2 3.31Å; K42-D46 WeakPolarHBondContact CE-OD1 3.36Å; K42-D46 WeakPolarHBondContact CE-OD2 3.34Å; K42-D46 IonicContact NZ-OD1 3.7Å; K42-D46 PolarHBondContact NZ-OD1 3.19Å; K42-D46 IonicContact NZ-OD2 4Å; K42-D46 PolarHBondContact NZ-OD2 2.89Å; K42-D46 VanDerWaalsContact O-CG 3.31Å; K42-D46 PolarHBondContact O-N 3.09Å; R43-D46 PolarHBondContact O-N 2.94Å; D46-R48 PolarHBondContact O-N 3.16Å; D46-R48 VanDerWaalsContact O-N 3.17Å; D46-F49 PolarHBondContact O-N 2.98Å; D46-F49 VanDerWaalsContact O-N 3.08Å; D46-D50 WeakPolarHBondContact O-CB 3.5Å; D46-D50 VanDerWaalsContact O-CG 3.25Å; D46-D50 PolarHBondContact O-N 3.15Å
47	E	96.9	Very high	93.9	Very high	103 Å²	103	83 Å²	83	48%	0.481	41%	0.412	S	S	.	.	H	α-helix	trans	-55.5	-37.1	175.1	-72.3	169.9	-170.9	0	0	113	R43 K51	R43-E47 HydrophobicContact CG-CG 4.5Å; R43-E47 WeakPolarHBondContact CG-OE1 3.36Å; R43-E47 IonicContact NE-OE1 3.86Å; R43-E47 WeakPolarHBondContact O-CG 3.33Å; R43-E47 PolarHBondContact O-N 3.38Å; E47-K51 WeakPolarHBondContact O-CB 3.24Å; E47-K51 PolarHBondContact O-N 3.05Å
48	R	94.2	Very high	93.5	Very high	191 Å²	191	82.9 Å²	82.9	72%	0.721	41%	0.41	S	S	*	.	H	α-helix	trans	-74.5	-40.6	177.4	-75.6	176.4	-179	-168.4	1	112.2	L44 A45 D46 F52	L44-R48 VanDerWaalsContact O-CG 3.26Å; L44-R48 WeakPolarHBondContact O-CG 3.3Å; L44-R48 PolarHBondContact O-N 3.34Å; A45-R48 PolarHBondContact O-N 2.69Å; D46-R48 PolarHBondContact O-N 3.16Å; D46-R48 VanDerWaalsContact O-N 3.17Å; R48-F52 WeakPolarHBondContact O-CB 3.19Å; R48-F52 PolarHBondContact O-N 3.38Å
49	F	93.2	Very high	92.9	Very high	127 Å²	127	89.1 Å²	89.1	56%	0.557	44%	0.442	S	S	*	.	H	α-helix	trans	-65.4	-46	176.7	-84.9	-65.1	0	0	0	110.8	A45 D46 K51 F52 E53	A45-F49 WeakPolarHBondContact O-CD2 3.4Å; A45-F49 PolarHBondContact O-N 2.92Å; D46-F49 PolarHBondContact O-N 2.98Å; D46-F49 VanDerWaalsContact O-N 3.08Å; F49-K51 VanDerWaalsContact C-N 3.3Å; F49-K51 PolarHBondContact O-N 3.44Å; F49-F52 CarbonylContact O-C 3.58Å; F49-F52 WeakPolarHBondContact O-CA 3.32Å; F49-F52 WeakPolarHBondContact O-CB 3.08Å; F49-F52 PolarHBondContact O-N 3.2Å; F49-E53 WeakPolarHBondContact O-CG 3.45Å; F49-E53 PolarHBondContact O-N 2.96Å
50	D	95.4	Very high	92.4	Very high	85 Å²	85	94.6 Å²	94.6	46%	0.455	46%	0.462	S	S	.	.	H	α-helix	trans	-58	-44.1	177.5	-67.6	-15.1	0	0	0	111.3	D46 F52 E53 Q54	D46-D50 WeakPolarHBondContact O-CB 3.5Å; D46-D50 VanDerWaalsContact O-CG 3.25Å; D46-D50 PolarHBondContact O-N 3.15Å; D50-F52 VanDerWaalsContact C-N 3.33Å; D50-F52 PolarHBondContact O-N 3.41Å; D50-E53 PolarHBondContact O-N 3.43Å; D50-Q54 VanDerWaalsContact O-CG 3.3Å; D50-Q54 WeakPolarHBondContact O-CG 3.17Å; D50-Q54 PolarHBondContact O-N 3.18Å
51	K	95.5	Very high	92	Very high	163 Å²	163	99.5 Å²	99.5	71%	0.709	49%	0.487	S	S	*	.	H	α-helix	trans	-63.8	-38.3	175	-174.6	176.3	-178.4	177.1	0	112.4	E47 F49	E47-K51 WeakPolarHBondContact O-CB 3.24Å; E47-K51 PolarHBondContact O-N 3.05Å; F49-K51 VanDerWaalsContact C-N 3.3Å; F49-K51 PolarHBondContact O-N 3.44Å
52	F	91.7	Very high	91.6	Very high	81 Å²	81	106.9 Å²	106.9	36%	0.355	52%	0.52	S	S	.	.	H	α-helix	trans	-68.8	-42.6	177.5	172	-111.7	0	0	0	111.7	R48 F49 D50 Q54 S55 H58 L61	R48-F52 WeakPolarHBondContact O-CB 3.19Å; R48-F52 PolarHBondContact O-N 3.38Å; F49-F52 CarbonylContact O-C 3.58Å; F49-F52 WeakPolarHBondContact O-CA 3.32Å; F49-F52 WeakPolarHBondContact O-CB 3.08Å; F49-F52 PolarHBondContact O-N 3.2Å; D50-F52 VanDerWaalsContact C-N 3.33Å; D50-F52 PolarHBondContact O-N 3.41Å; F52-Q54 PolarHBondContact O-N 2.89Å; F52-S55 VanDerWaalsContact O-CB 3.27Å; F52-S55 WeakPolarHBondContact O-CB 3.3Å; F52-S55 PolarHBondContact O-N 3.28Å; F52-S55 PolarHBondContact O-OG 2.73Å; F52-H58 HydrophobicContact CE1-CB 4.22Å; F52-H58 AromaticContact CE1-CD2 3.67Å; F52-H58 HydrophobicContact CE2-CB 4.35Å; F52-H58 HydrophobicContact CZ-CB 4.13Å; F52-H58 VanDerWaalsContact O-CB 3.24Å; F52-H58 WeakPolarHBondContact O-CB 3.48Å; F52-L61 HydrophobicContact CE2-CD1 4.1Å; F52-L61 HydrophobicContact CZ-CD1 3.72Å
53	E	91.2	Very high	91.3	Very high	93 Å²	93	110.9 Å²	110.9	44%	0.435	53%	0.532	S	S	.	.	H	α-helix	trans	-63.1	-28.5	179.4	-72.3	-166.6	150.6	0	0	112.7	F49 D50 S55 H58	F49-E53 WeakPolarHBondContact O-CG 3.45Å; F49-E53 PolarHBondContact O-N 2.96Å; D50-E53 PolarHBondContact O-N 3.43Å; E53-S55 VanDerWaalsContact C-N 3.31Å; E53-H58 PolarHBondContact O-ND1 3.36Å
54	Q	92	Very high	91.1	Very high	167 Å²	167	109.7 Å²	109.7	78%	0.78	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-7.8	173.4	-67	171.4	27.4	0	0	114.1	D50 F52	D50-Q54 VanDerWaalsContact O-CG 3.3Å; D50-Q54 WeakPolarHBondContact O-CG 3.17Å; D50-Q54 PolarHBondContact O-N 3.18Å; F52-Q54 PolarHBondContact O-N 2.89Å
55	S	91.1	Very high	91.1	Very high	36 Å²	36	113.6 Å²	113.6	25%	0.252	56%	0.558	S	S	.	*	S	Bend	trans	-83.4	148.4	-177.7	76.8	0	0	0	0	112.6	F52 E53 S57 H58	F52-S55 VanDerWaalsContact O-CB 3.27Å; F52-S55 WeakPolarHBondContact O-CB 3.3Å; F52-S55 PolarHBondContact O-N 3.28Å; F52-S55 PolarHBondContact O-OG 2.73Å; E53-S55 VanDerWaalsContact C-N 3.31Å; S55-S57 PolarHBondContact O-N 3.29Å; S55-H58 PolarHBondContact O-N 2.92Å; S55-H58 VanDerWaalsContact O-N 3.11Å; S55-H58 PolarHBondContact OG-N 3.14Å
56	S	88.3	Confident	91.2	Very high	94 Å²	94	114.8 Å²	114.8	66%	0.657	56%	0.559	S	S	*	*	H	α-helix	trans	-58.8	-29.5	173.4	-51.2	0	0	0	0	112.7	H58 L59	S56-H58 VanDerWaalsContact C-N 3.32Å; S56-H58 PolarHBondContact O-N 2.85Å; S56-L59 PolarHBondContact O-N 3.05Å
57	S	85.1	Confident	91.2	Very high	72 Å²	72	115.3 Å²	115.3	50%	0.503	56%	0.564	S	S	.	*	H	α-helix	trans	-63.2	-36.7	176.8	-56	0	0	0	0	112.6	S55 L59 L60 L61	S55-S57 PolarHBondContact O-N 3.29Å; S57-L59 VanDerWaalsContact C-N 3.3Å; S57-L59 PolarHBondContact O-N 2.94Å; S57-L60 PolarHBondContact O-N 3.43Å; S57-L60 VanDerWaalsContact O-N 3.16Å; S57-L61 VanDerWaalsContact O-CG 3.3Å; S57-L61 WeakPolarHBondContact O-CG 3.4Å; S57-L61 PolarHBondContact O-N 3.35Å
58	H	85.9	Confident	91.3	Very high	48 Å²	48	113.4 Å²	113.4	22%	0.222	56%	0.556	C	S	.	*	H	α-helix	trans	-63.3	-37.7	178.9	173.6	-113	0	0	0	111.8	F52 E53 S55 S56 L60 L61	F52-H58 HydrophobicContact CE1-CB 4.22Å; F52-H58 AromaticContact CE1-CD2 3.67Å; F52-H58 HydrophobicContact CE2-CB 4.35Å; F52-H58 HydrophobicContact CZ-CB 4.13Å; F52-H58 VanDerWaalsContact O-CB 3.24Å; F52-H58 WeakPolarHBondContact O-CB 3.48Å; E53-H58 PolarHBondContact O-ND1 3.36Å; S55-H58 PolarHBondContact O-N 2.92Å; S55-H58 VanDerWaalsContact O-N 3.11Å; S55-H58 PolarHBondContact OG-N 3.14Å; S56-H58 VanDerWaalsContact C-N 3.32Å; S56-H58 PolarHBondContact O-N 2.85Å; H58-L60 PolarHBondContact O-N 3.02Å; H58-L61 PolarHBondContact O-N 3.14Å
59	L	82.6	Confident	91.5	Very high	147 Å²	147	106.8 Å²	106.8	77%	0.77	54%	0.535	S	S	*	.	H	α-helix	trans	-63.7	-24.4	176.9	-62.2	174.3	0	0	0	113.2	S56 S57	S56-L59 PolarHBondContact O-N 3.05Å; S57-L59 VanDerWaalsContact C-N 3.3Å; S57-L59 PolarHBondContact O-N 2.94Å
60	L	85.5	Confident	91.7	Very high	151 Å²	151	106.2 Å²	106.2	79%	0.791	53%	0.533	S	S	*	.	H	α-helix	trans	-91.4	-14.8	180	-62.7	174.5	0	0	0	113	S57 H58	S57-L60 PolarHBondContact O-N 3.43Å; S57-L60 VanDerWaalsContact O-N 3.16Å; H58-L60 PolarHBondContact O-N 3.02Å
61	L	86.6	Confident	91.8	Very high	108 Å²	108	103.1 Å²	103.1	57%	0.565	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-97.1	129.8	-173.9	-71.5	168.8	0	0	0	111.2	F52 S57 H58	F52-L61 HydrophobicContact CE2-CD1 4.1Å; F52-L61 HydrophobicContact CZ-CD1 3.72Å; S57-L61 VanDerWaalsContact O-CG 3.3Å; S57-L61 WeakPolarHBondContact O-CG 3.4Å; S57-L61 PolarHBondContact O-N 3.35Å; H58-L61 PolarHBondContact O-N 3.14Å
62	K	88.4	Confident	91.9	Very high	201 Å²	201	96.5 Å²	96.5	87%	0.874	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-83	140.4	168.3	-64	-175.7	-178.6	-179.8	0	109.3
63	R	87.9	Confident	92.1	Very high	208 Å²	208	93.1 Å²	93.1	79%	0.785	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-60.9	132.2	172.2	-71.9	-176.1	175.8	177.1	-2.3	109.5
64	P	92.8	Very high	92.3	Very high	99 Å²	99	90.3 Å²	90.3	64%	0.643	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-70	136.3	178.8	28.7	-34	0	0	0	110.5	V67	P64-V67 HydrophobicContact CB-CG2 4.48Å; P64-V67 HydrophobicContact CG-CG2 4.27Å
65	E	95.5	Very high	92.4	Very high	118 Å²	118	86.1 Å²	86.1	55%	0.551	46%	0.457	S	S	*	.	S	Bend	trans	-76.8	-34.6	171.7	-174.3	-176.3	157.4	0	0	111.4	G332	E65-G332 WeakPolarHBondContact O-CA 3.17Å
66	N	98.2	Very high	92.5	Very high	63 Å²	63	87.1 Å²	87.1	34%	0.337	46%	0.464	S	S	.	.			trans	-128.8	142.7	-174.7	-58.7	-64.3	0	0	0	110.6	G332 F333	N66-G332 WeakPolarHBondContact OD1-CA 3.47Å; N66-F333 WeakPolarHBondContact CA-O 3.31Å; N66-F333 HydrophobicContact CB-CD1 4.04Å; N66-F333 HydrophobicContact CB-CE1 3.73Å; N66-F333 HydrophobicContact CB-CE2 4.41Å; N66-F333 HydrophobicContact CB-CG 4.48Å; N66-F333 HydrophobicContact CB-CZ 3.93Å; N66-F333 VanDerWaalsContact CG-CE1 3.46Å; N66-F333 WeakPolarHBondContact OD1-CD1 3.36Å; N66-F333 VanDerWaalsContact OD1-CE1 3.27Å; N66-F333 WeakPolarHBondContact OD1-CE1 3.34Å; N66-F333 PolarHBondContact OD1-N 3.43Å
67	V	98.1	Very high	92.7	Very high	67 Å²	67	88.8 Å²	88.8	41%	0.406	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	128.9	178.1	178.7	0	0	0	0	109.6	P64 F333 L334 L335	P64-V67 HydrophobicContact CB-CG2 4.48Å; P64-V67 HydrophobicContact CG-CG2 4.27Å; V67-F333 PolarHBondContact N-O 3.18Å; V67-L334 HydrophobicContact CB-CD1 3.62Å; V67-L334 HydrophobicContact CG1-CD1 3.53Å; V67-L334 WeakPolarHBondContact O-CA 3.43Å; V67-L335 PolarHBondContact O-N 3.14Å
68	I	98.6	Very high	93	Very high	62 Å²	62	89.4 Å²	89.4	32%	0.318	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	119.8	170.4	-53.8	172.8	0	0	0	107.9	F70 I323 F333 L335 V337	I68-F70 HydrophobicContact CB-CE2 4.03Å; I68-F70 HydrophobicContact CG2-CD2 3.89Å; I68-F70 HydrophobicContact CG2-CE1 4.31Å; I68-F70 HydrophobicContact CG2-CE2 3.36Å; I68-F70 HydrophobicContact CG2-CZ 3.61Å; I68-I323 HydrophobicContact CD1-CD1 3.83Å; I68-I323 HydrophobicContact CD1-CG1 4.2Å; I68-F333 HydrophobicContact CD1-CE2 4.19Å; I68-F333 HydrophobicContact CD1-CZ 4.32Å; I68-F333 HydrophobicContact CG1-CE2 3.76Å; I68-F333 HydrophobicContact CG1-CZ 4.3Å; I68-L335 CarbonylContact C-O 3.41Å; I68-L335 WeakPolarHBondContact CA-O 3.24Å; I68-L335 HydrophobicContact CG1-CB 4.29Å; I68-L335 HydrophobicContact CG1-CD2 4.48Å; I68-L335 HydrophobicContact CG2-CB 4.37Å; I68-L335 HydrophobicContact CG2-CD2 4.28Å; I68-L335 HydrophobicContact CG2-CG 4.31Å; I68-V337 HydrophobicContact CG2-CG2 3.82Å
69	L	98	Very high	93.4	Very high	53 Å²	53	88 Å²	88	28%	0.277	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	110.9	175.6	177.6	61.2	0	0	0	109.4	I71 F130 M131 L335 L336 V337	L69-I71 HydrophobicContact CD2-CD1 4.21Å; L69-I71 HydrophobicContact CD2-CG1 4.42Å; L69-I71 HydrophobicContact CG-CD1 4.45Å; L69-I71 HydrophobicContact CG-CG1 4.12Å; L69-F130 HydrophobicContact CD2-CB 4.39Å; L69-M131 HydrophobicContact CD2-CG 4.43Å; L69-L335 PolarHBondContact N-O 2.99Å; L69-L336 HydrophobicContact CB-CD1 4.5Å; L69-L336 HydrophobicContact CD2-CD1 4.14Å; L69-L336 HydrophobicContact CG-CD1 4.26Å; L69-V337 PolarHBondContact O-N 2.92Å
70	F	98	Very high	93.9	Very high	114 Å²	114	81.8 Å²	81.8	50%	0.5	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	127.2	172	-67.1	-87.2	0	0	0	110.6	I68 T319 V337	I68-F70 HydrophobicContact CB-CE2 4.03Å; I68-F70 HydrophobicContact CG2-CD2 3.89Å; I68-F70 HydrophobicContact CG2-CE1 4.31Å; I68-F70 HydrophobicContact CG2-CE2 3.36Å; I68-F70 HydrophobicContact CG2-CZ 3.61Å; F70-T319 HydrophobicContact CE1-CG2 4.38Å; F70-T319 HydrophobicContact CZ-CG2 4.4Å; F70-V337 CarbonylContact C-O 3.55Å; F70-V337 VanDerWaalsContact CA-O 3.31Å; F70-V337 WeakPolarHBondContact CA-O 3.43Å; F70-V337 HydrophobicContact CD1-CB 3.59Å; F70-V337 HydrophobicContact CD1-CG1 3.7Å; F70-V337 HydrophobicContact CD1-CG2 4.22Å; F70-V337 HydrophobicContact CE1-CB 3.77Å; F70-V337 HydrophobicContact CE1-CG1 3.72Å; F70-V337 HydrophobicContact CE1-CG2 3.93Å; F70-V337 HydrophobicContact CG-CB 4.37Å; F70-V337 HydrophobicContact CZ-CG2 4.45Å
71	I	97.7	Very high	94.2	Very high	21 Å²	21	76.4 Å²	76.4	11%	0.108	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	119	174.2	-60.3	-173.9	0	0	0	109	L69 F130 T187 L336 V337 E338 G339	L69-I71 HydrophobicContact CD2-CD1 4.21Å; L69-I71 HydrophobicContact CD2-CG1 4.42Å; L69-I71 HydrophobicContact CG-CD1 4.45Å; L69-I71 HydrophobicContact CG-CG1 4.12Å; I71-F130 HydrophobicContact CD1-CB 4.47Å; I71-F130 HydrophobicContact CD1-CD2 4.18Å; I71-T187 HydrophobicContact CD1-CG2 4.25Å; I71-T187 HydrophobicContact CG2-CG2 4.29Å; I71-L336 HydrophobicContact CD1-CD1 3.73Å; I71-L336 HydrophobicContact CG1-CD1 4.04Å; I71-V337 PolarHBondContact N-O 2.94Å; I71-E338 HydrophobicContact CB-CG 4.47Å; I71-E338 CarbonylContact O-C 3.6Å; I71-E338 VanDerWaalsContact O-CA 3.31Å; I71-E338 WeakPolarHBondContact O-CA 3.12Å; I71-G339 PolarHBondContact O-N 2.73Å
72	G	96.6	Very high	94.4	Very high	23 Å²	23	72.2 Å²	72.2	24%	0.237	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	102.5	161.3	0	0	0	0	0	109.1	G74 M75	G72-G74 PolarHBondContact O-N 2.67Å; G72-M75 WeakPolarHBondContact O-CB 3.39Å; G72-M75 PolarHBondContact O-N 3.49Å; G72-M75 VanDerWaalsContact O-N 3.15Å
73	D	97	Very high	94.6	Very high	11 Å²	11	64.5 Å²	64.5	6%	0.059	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	132.7	-180	-162	-7.8	0	0	0	109.7	M75 S123 T187 I342 D343	D73-M75 PolarHBondContact O-N 2.85Å; D73-M75 VanDerWaalsContact O-N 3.17Å; D73-S123 VanDerWaalsContact CG-OG 3.28Å; D73-S123 VanDerWaalsContact OD1-CB 3.28Å; D73-S123 WeakPolarHBondContact OD1-CB 3.43Å; D73-S123 PolarHBondContact OD1-OG 3.44Å; D73-S123 WeakPolarHBondContact OD2-CB 3.45Å; D73-S123 PolarHBondContact OD2-OG 2.94Å; D73-T187 PolarHBondContact OD2-OG1 3.29Å; D73-T187 VanDerWaalsContact OD2-OG1 3.1Å; D73-I342 CarbonylContact O-C 3.56Å; D73-I342 VanDerWaalsContact O-CB 3.25Å; D73-I342 WeakPolarHBondContact O-CB 3.34Å; D73-I342 WeakPolarHBondContact O-CG2 3.25Å; D73-D343 HydrophobicContact CB-CB 3.96Å; D73-D343 WeakPolarHBondContact O-CA 3.45Å; D73-D343 PolarHBondContact O-N 3.05Å
74	G	94.1	Very high	94.8	Very high	34 Å²	34	57.7 Å²	57.7	35%	0.351	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	11.8	-174.3	0	0	0	0	0	115.7	G72 S76 N346	G72-G74 PolarHBondContact O-N 2.67Å; G74-S76 PolarHBondContact O-N 2.71Å; G74-N346 PolarHBondContact O-ND2 3.1Å; G74-N346 VanDerWaalsContact O-ND2 3.16Å
75	M	94.3	Very high	94.8	Very high	78 Å²	78	59.5 Å²	59.5	38%	0.384	33%	0.331	S	S	.	.			trans	-82	99.5	-175.3	-171.3	177.7	69.3	0	0	112.1	G72 D73 T79 V80 I342	G72-M75 WeakPolarHBondContact O-CB 3.39Å; G72-M75 PolarHBondContact O-N 3.49Å; G72-M75 VanDerWaalsContact O-N 3.15Å; D73-M75 PolarHBondContact O-N 2.85Å; D73-M75 VanDerWaalsContact O-N 3.17Å; M75-T79 HydrophobicContact CG-CG2 4.29Å; M75-V80 HydrophobicContact CE-CG2 4.49Å; M75-V80 HydrophobicContact CG-CG2 3.98Å; M75-V80 HydrophobicContact SD-CG2 4.12Å; M75-I342 HydrophobicContact CB-CG2 4.12Å; M75-I342 HydrophobicContact SD-CD1 4.36Å
76	S	92.8	Very high	94.6	Very high	57 Å²	57	56.2 Å²	56.2	40%	0.399	32%	0.317	S	S	.	.			trans	-92.8	174.5	173.1	75.4	0	0	0	0	112.2	G74 S78 T79 V80	G74-S76 PolarHBondContact O-N 2.71Å; S76-S78 PolarHBondContact O-N 3.46Å; S76-S78 PolarHBondContact OG-N 2.93Å; S76-S78 PolarHBondContact OG-OG 3.29Å; S76-T79 PolarHBondContact N-OG1 3.22Å; S76-T79 WeakPolarHBondContact O-CB 3.44Å; S76-T79 PolarHBondContact O-N 3.18Å; S76-T79 VanDerWaalsContact O-N 3.12Å; S76-T79 PolarHBondContact OG-OG1 3.27Å; S76-V80 PolarHBondContact O-N 3.46Å
77	L	92.7	Very high	94.3	Very high	129 Å²	129	56.7 Å²	56.7	68%	0.675	32%	0.316	S	S	*	.	H	α-helix	trans	-59.2	-32.6	176	-67.9	179	0	0	0	112.9	V80 T81	L77-V80 PolarHBondContact O-N 3.28Å; L77-T81 PolarHBondContact O-N 3.45Å; L77-T81 PolarHBondContact O-OG1 2.88Å; L77-T81 VanDerWaalsContact O-OG1 3.05Å
78	S	92.2	Very high	94.2	Very high	85 Å²	85	53.6 Å²	53.6	59%	0.594	30%	0.297	S	S	*	.	H	α-helix	trans	-69.6	-37.3	176.4	58.6	0	0	0	0	111.8	S76 V80 T81 G82	S76-S78 PolarHBondContact O-N 3.46Å; S76-S78 PolarHBondContact OG-N 2.93Å; S76-S78 PolarHBondContact OG-OG 3.29Å; S78-V80 VanDerWaalsContact C-N 3.33Å; S78-V80 PolarHBondContact O-N 2.89Å; S78-T81 PolarHBondContact O-N 2.9Å; S78-G82 PolarHBondContact O-N 3.09Å
79	T	93.2	Very high	93.9	Very high	18 Å²	18	57.6 Å²	57.6	11%	0.11	32%	0.315	C	S	.	.	H	α-helix	trans	-62.3	-41.1	172.7	-46.5	0	0	0	0	111.1	M75 S76 G82 A83 I342 N346	M75-T79 HydrophobicContact CG-CG2 4.29Å; S76-T79 PolarHBondContact N-OG1 3.22Å; S76-T79 WeakPolarHBondContact O-CB 3.44Å; S76-T79 PolarHBondContact O-N 3.18Å; S76-T79 VanDerWaalsContact O-N 3.12Å; S76-T79 PolarHBondContact OG-OG1 3.27Å; T79-G82 PolarHBondContact O-N 3.18Å; T79-A83 PolarHBondContact O-N 3.02Å; T79-I342 HydrophobicContact CG2-CG2 3.74Å; T79-N346 PolarHBondContact OG1-OD1 2.95Å
80	V	93.1	Very high	93.6	Very high	18 Å²	18	61.7 Å²	61.7	11%	0.109	33%	0.33	C	S	.	.	H	α-helix	trans	-63.1	-42.1	174.2	173.6	0	0	0	0	111.4	M75 S76 L77 S78 A83 R84 L100	M75-V80 HydrophobicContact CE-CG2 4.49Å; M75-V80 HydrophobicContact CG-CG2 3.98Å; M75-V80 HydrophobicContact SD-CG2 4.12Å; S76-V80 PolarHBondContact O-N 3.46Å; L77-V80 PolarHBondContact O-N 3.28Å; S78-V80 VanDerWaalsContact C-N 3.33Å; S78-V80 PolarHBondContact O-N 2.89Å; V80-A83 PolarHBondContact O-N 2.95Å; V80-R84 PolarHBondContact O-N 3.26Å; V80-R84 VanDerWaalsContact O-N 3.12Å; V80-L100 HydrophobicContact CG1-CD1 3.89Å
81	T	92.2	Very high	93.4	Very high	38 Å²	38	61 Å²	61	23%	0.233	33%	0.33	C	S	.	.	H	α-helix	trans	-62.3	-44.7	173.5	-58.7	0	0	0	0	112.2	L77 S78 A83 R84 Y85	L77-T81 PolarHBondContact O-N 3.45Å; L77-T81 PolarHBondContact O-OG1 2.88Å; L77-T81 VanDerWaalsContact O-OG1 3.05Å; S78-T81 PolarHBondContact O-N 2.9Å; T81-A83 VanDerWaalsContact C-N 3.31Å; T81-A83 PolarHBondContact O-N 3.29Å; T81-R84 WeakPolarHBondContact O-CB 3.1Å; T81-R84 PolarHBondContact O-N 2.87Å; T81-R84 VanDerWaalsContact O-N 3.13Å; T81-R84 PolarHBondContact OG1-NH2 3.25Å; T81-Y85 HydrophobicContact CG2-CD2 4.39Å; T81-Y85 HydrophobicContact CG2-CE1 4.16Å; T81-Y85 HydrophobicContact CG2-CE2 3.8Å; T81-Y85 PolarHBondContact O-N 2.9Å; T81-Y85 VanDerWaalsContact O-N 3.12Å
82	G	91.3	Very high	93.3	Very high	19 Å²	19	67.4 Å²	67.4	20%	0.196	36%	0.364	C	S	.	.	H	α-helix	trans	-58.2	-43.4	175.4	0	0	0	0	0	112.2	S78 T79 R84 Y85 L86	S78-G82 PolarHBondContact O-N 3.09Å; T79-G82 PolarHBondContact O-N 3.18Å; G82-R84 VanDerWaalsContact C-N 3.32Å; G82-R84 PolarHBondContact O-N 3.09Å; G82-Y85 PolarHBondContact O-N 3.13Å; G82-L86 PolarHBondContact O-N 2.84Å
83	A	92.3	Very high	93.1	Very high	39 Å²	39	70.5 Å²	70.5	32%	0.322	38%	0.375	S	S	.	.	H	α-helix	trans	-62.5	-34.9	176.1	0	0	0	0	0	113.3	T79 V80 T81 K87 L100	T79-A83 PolarHBondContact O-N 3.02Å; V80-A83 PolarHBondContact O-N 2.95Å; T81-A83 VanDerWaalsContact C-N 3.31Å; T81-A83 PolarHBondContact O-N 3.29Å; A83-K87 VanDerWaalsContact O-CB 3.31Å; A83-K87 WeakPolarHBondContact O-CB 3.43Å; A83-K87 PolarHBondContact O-N 2.81Å; A83-L100 HydrophobicContact CB-CD1 3.99Å; A83-L100 HydrophobicContact CB-CD2 4.28Å
84	R	92.7	Very high	92.5	Very high	65 Å²	65	77.6 Å²	77.6	25%	0.245	41%	0.412	C	S	.	.	H	α-helix	trans	-64.9	-44.4	173.7	-75.5	-179	-78.7	172	-1.6	111.8	V80 T81 G82 K87 A88 V98 L100 E103	V80-R84 PolarHBondContact O-N 3.26Å; V80-R84 VanDerWaalsContact O-N 3.12Å; T81-R84 WeakPolarHBondContact O-CB 3.1Å; T81-R84 PolarHBondContact O-N 2.87Å; T81-R84 VanDerWaalsContact O-N 3.13Å; T81-R84 PolarHBondContact OG1-NH2 3.25Å; G82-R84 VanDerWaalsContact C-N 3.32Å; G82-R84 PolarHBondContact O-N 3.09Å; R84-K87 PolarHBondContact O-N 3.34Å; R84-A88 WeakPolarHBondContact O-CB 3.44Å; R84-A88 PolarHBondContact O-N 3Å; R84-V98 VanDerWaalsContact CD-O 3.31Å; R84-V98 WeakPolarHBondContact CD-O 3.16Å; R84-V98 WeakPolarHBondContact CG-O 3.45Å; R84-L100 HydrophobicContact CG-CD1 4.34Å; R84-L100 HydrophobicContact CG-CD2 4.37Å; R84-L100 HydrophobicContact CG-CG 3.89Å; R84-E103 WeakPolarHBondContact CD-OE2 3.48Å; R84-E103 IonicContact CZ-OE1 3.42Å; R84-E103 IonicContact NH1-OE1 3.96Å
85	Y	92.3	Very high	91.6	Very high	138 Å²	138	76.8 Å²	76.8	54%	0.541	40%	0.403	S	S	.	.	H	α-helix	trans	-64.8	-44.9	178	-64.2	-14	0	0	0	111.9	T81 G82 K87 A88 E89	T81-Y85 HydrophobicContact CG2-CD2 4.39Å; T81-Y85 HydrophobicContact CG2-CE1 4.16Å; T81-Y85 HydrophobicContact CG2-CE2 3.8Å; T81-Y85 PolarHBondContact O-N 2.9Å; T81-Y85 VanDerWaalsContact O-N 3.12Å; G82-Y85 PolarHBondContact O-N 3.13Å; Y85-K87 VanDerWaalsContact C-N 3.3Å; Y85-K87 PolarHBondContact O-N 2.9Å; Y85-A88 PolarHBondContact O-N 2.97Å; Y85-E89 WeakPolarHBondContact O-CB 3.33Å; Y85-E89 PolarHBondContact O-N 3.31Å
86	L	90.9	Very high	90.8	Very high	48 Å²	48	76.3 Å²	76.3	25%	0.251	42%	0.419	S	S	.	.	H	α-helix	trans	-61.4	-39.4	174.4	179.6	62.7	0	0	0	112	G82 K90	G82-L86 PolarHBondContact O-N 2.84Å; L86-K90 HydrophobicContact CG-CD 4.49Å; L86-K90 WeakPolarHBondContact O-CG 3.47Å; L86-K90 PolarHBondContact O-N 3.1Å; L86-K90 VanDerWaalsContact O-N 3.13Å
87	K	93.2	Very high	90.5	Very high	74 Å²	74	79.5 Å²	79.5	32%	0.322	43%	0.432	S	S	.	.	H	α-helix	trans	-63	-44.7	175.3	-179.6	179.9	167.3	-177.6	0	111	A83 R84 Y85 K90 M91 V98 Q99 L100	A83-K87 VanDerWaalsContact O-CB 3.31Å; A83-K87 WeakPolarHBondContact O-CB 3.43Å; A83-K87 PolarHBondContact O-N 2.81Å; R84-K87 PolarHBondContact O-N 3.34Å; Y85-K87 VanDerWaalsContact C-N 3.3Å; Y85-K87 PolarHBondContact O-N 2.9Å; K87-K90 PolarHBondContact O-N 2.88Å; K87-M91 HydrophobicContact CD-SD 4.44Å; K87-M91 VanDerWaalsContact CE-SD 3.6Å; K87-M91 HydrophobicContact CG-SD 3.96Å; K87-M91 VanDerWaalsContact O-CG 3.3Å; K87-M91 WeakPolarHBondContact O-CG 3.45Å; K87-M91 PolarHBondContact O-N 3.39Å; K87-M91 VanDerWaalsContact O-N 3.16Å; K87-V98 HydrophobicContact CB-CG1 4.05Å; K87-V98 HydrophobicContact CD-CG1 3.54Å; K87-V98 HydrophobicContact CG-CG1 3.67Å; K87-Q99 PolarHBondContact NZ-O 2.84Å; K87-L100 HydrophobicContact CD-CD2 4.19Å
88	A	94.8	Very high	90.5	Very high	1 Å²	1	73.9 Å²	73.9	1%	0.008	40%	0.403	C	S	.	.	H	α-helix	trans	-64.8	-43.6	179.7	0	0	0	0	0	112.9	R84 Y85 K90 M91 D92 L93 V98	R84-A88 WeakPolarHBondContact O-CB 3.44Å; R84-A88 PolarHBondContact O-N 3Å; Y85-A88 PolarHBondContact O-N 2.97Å; A88-K90 VanDerWaalsContact C-N 3.29Å; A88-K90 PolarHBondContact O-N 3.48Å; A88-M91 CarbonylContact O-C 3.55Å; A88-M91 WeakPolarHBondContact O-CA 3.4Å; A88-M91 WeakPolarHBondContact O-CB 3.49Å; A88-M91 PolarHBondContact O-N 2.95Å; A88-D92 PolarHBondContact O-N 3.21Å; A88-D92 VanDerWaalsContact O-N 3.09Å; A88-L93 CarbonylContact C-O 3.3Å; A88-L93 HydrophobicContact CB-CB 4.48Å; A88-L93 PolarHBondContact O-N 3.37Å; A88-V98 HydrophobicContact CB-CB 3.97Å; A88-V98 HydrophobicContact CB-CG1 4.4Å; A88-V98 HydrophobicContact CB-CG2 3.63Å
89	E	92.6	Very high	90.5	Very high	146 Å²	146	74.4 Å²	74.4	68%	0.682	40%	0.396	S	S	*	.	H	α-helix	trans	-56.4	-45	173.9	-176	-175	170.4	0	0	111	Y85 M91 D92	Y85-E89 WeakPolarHBondContact O-CB 3.33Å; Y85-E89 PolarHBondContact O-N 3.31Å; E89-M91 PolarHBondContact O-N 2.95Å; E89-D92 PolarHBondContact O-N 3.12Å
90	K	92.1	Very high	90.5	Very high	139 Å²	139	74.2 Å²	74.2	60%	0.604	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-15.9	175.6	-72.3	179.9	-179.5	-176.5	0	114.4	L86 K87 A88	L86-K90 HydrophobicContact CG-CD 4.49Å; L86-K90 WeakPolarHBondContact O-CG 3.47Å; L86-K90 PolarHBondContact O-N 3.1Å; L86-K90 VanDerWaalsContact O-N 3.13Å; K87-K90 PolarHBondContact O-N 2.88Å; A88-K90 VanDerWaalsContact C-N 3.29Å; A88-K90 PolarHBondContact O-N 3.48Å
91	M	94	Very high	90.6	Very high	100 Å²	100	78.7 Å²	78.7	49%	0.493	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	1.5	175.7	-68.4	175.6	65.3	0	0	112.5	K87 A88 E89 L93 V98	K87-M91 HydrophobicContact CD-SD 4.44Å; K87-M91 VanDerWaalsContact CE-SD 3.6Å; K87-M91 HydrophobicContact CG-SD 3.96Å; K87-M91 VanDerWaalsContact O-CG 3.3Å; K87-M91 WeakPolarHBondContact O-CG 3.45Å; K87-M91 PolarHBondContact O-N 3.39Å; K87-M91 VanDerWaalsContact O-N 3.16Å; A88-M91 CarbonylContact O-C 3.55Å; A88-M91 WeakPolarHBondContact O-CA 3.4Å; A88-M91 WeakPolarHBondContact O-CB 3.49Å; A88-M91 PolarHBondContact O-N 2.95Å; E89-M91 PolarHBondContact O-N 2.95Å; M91-L93 VanDerWaalsContact C-N 3.28Å; M91-L93 HydrophobicContact CB-CB 4.5Å; M91-L93 HydrophobicContact CB-CD1 4.05Å; M91-L93 HydrophobicContact CB-CG 4.04Å; M91-L93 HydrophobicContact CE-CD1 3.81Å; M91-L93 PolarHBondContact O-N 3.13Å; M91-V98 HydrophobicContact SD-CG1 4.26Å
92	D	94.1	Very high	90.6	Very high	156 Å²	156	82.5 Å²	82.5	83%	0.834	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	40.1	-172.5	-159.8	35.4	0	0	0	112.7	A88 E89	A88-D92 PolarHBondContact O-N 3.21Å; A88-D92 VanDerWaalsContact O-N 3.09Å; E89-D92 PolarHBondContact O-N 3.12Å
93	L	93.3	Very high	90.7	Very high	87 Å²	87	84.9 Å²	84.9	46%	0.455	44%	0.437	S	S	.	.	S	Bend	trans	-121	157	-179.8	-64.3	179.2	0	0	0	112.4	A88 M91 G95 V98	A88-L93 CarbonylContact C-O 3.3Å; A88-L93 HydrophobicContact CB-CB 4.48Å; A88-L93 PolarHBondContact O-N 3.37Å; M91-L93 VanDerWaalsContact C-N 3.28Å; M91-L93 HydrophobicContact CB-CB 4.5Å; M91-L93 HydrophobicContact CB-CD1 4.05Å; M91-L93 HydrophobicContact CB-CG 4.04Å; M91-L93 HydrophobicContact CE-CD1 3.81Å; M91-L93 PolarHBondContact O-N 3.13Å; L93-G95 PolarHBondContact O-N 3.12Å; L93-V98 HydrophobicContact CB-CG2 4.32Å; L93-V98 HydrophobicContact CD1-CG2 3.97Å
94	L	83.6	Confident	90.7	Very high	160 Å²	160	88.5 Å²	88.5	84%	0.838	45%	0.451	S	S	*	.			trans	-75.8	115.7	167.5	-63.9	176.9	0	0	0	109.5	G96	L94-G96 PolarHBondContact O-N 2.82Å
95	G	75.7	Confident	90.8	Very high	17 Å²	17	92.6 Å²	92.6	18%	0.175	47%	0.467	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	14.3	-160.7	0	0	0	0	0	120.1	L93	L93-G95 PolarHBondContact O-N 3.12Å
96	G	78.2	Confident	90.8	Very high	69 Å²	69	92.3 Å²	92.3	71%	0.711	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-31.9	-179.1	0	0	0	0	0	114.3	L94	L94-G96 PolarHBondContact O-N 2.82Å
97	D	86.9	Confident	90.9	Very high	124 Å²	124	95.5 Å²	95.5	66%	0.663	50%	0.503	S	S	*	.	S	Bend	trans	-106.7	-7.3	-173.3	63.8	-15.4	0	0	0	113.9	Q99	D97-Q99 PolarHBondContact O-N 3.32Å
98	V	92	Very high	90.9	Very high	11 Å²	11	96.8 Å²	96.8	7%	0.067	53%	0.527	C	S	.	.			trans	-73.4	124.3	177.7	175.7	0	0	0	0	110.9	R84 K87 A88 M91 L93	R84-V98 VanDerWaalsContact CD-O 3.31Å; R84-V98 WeakPolarHBondContact CD-O 3.16Å; R84-V98 WeakPolarHBondContact CG-O 3.45Å; K87-V98 HydrophobicContact CB-CG1 4.05Å; K87-V98 HydrophobicContact CD-CG1 3.54Å; K87-V98 HydrophobicContact CG-CG1 3.67Å; A88-V98 HydrophobicContact CB-CB 3.97Å; A88-V98 HydrophobicContact CB-CG1 4.4Å; A88-V98 HydrophobicContact CB-CG2 3.63Å; M91-V98 HydrophobicContact SD-CG1 4.26Å; L93-V98 HydrophobicContact CB-CG2 4.32Å; L93-V98 HydrophobicContact CD1-CG2 3.97Å
99	Q	92.4	Very high	90.8	Very high	95 Å²	95	101.8 Å²	101.8	44%	0.444	56%	0.562	S	S	.	*			trans	-106.3	145.1	179.2	-67.3	177.1	-16.8	0	0	112.2	K87 D97 E103 N104	K87-Q99 PolarHBondContact NZ-O 2.84Å; D97-Q99 PolarHBondContact O-N 3.32Å; Q99-E103 HydrophobicContact CB-CB 4.34Å; Q99-N104 PolarHBondContact OE1-OD1 3.4Å
100	L	93.8	Very high	90.8	Very high	15 Å²	15	101.9 Å²	101.9	8%	0.079	57%	0.567	C	S	.	*			trans	-74.3	155.1	165.5	-56.4	176.7	0	0	0	110	V80 A83 R84 K87 W102 E103	V80-L100 HydrophobicContact CG1-CD1 3.89Å; A83-L100 HydrophobicContact CB-CD1 3.99Å; A83-L100 HydrophobicContact CB-CD2 4.28Å; R84-L100 HydrophobicContact CG-CD1 4.34Å; R84-L100 HydrophobicContact CG-CD2 4.37Å; R84-L100 HydrophobicContact CG-CG 3.89Å; K87-L100 HydrophobicContact CD-CD2 4.19Å; L100-W102 VanDerWaalsContact C-N 3.27Å; L100-W102 HydrophobicContact CB-CD2 4.16Å; L100-W102 HydrophobicContact CB-CE3 4.33Å; L100-W102 HydrophobicContact CB-CH2 4.09Å; L100-W102 HydrophobicContact CB-CZ2 3.9Å; L100-W102 HydrophobicContact CB-CZ3 4.29Å; L100-W102 HydrophobicContact CD1-CH2 3.67Å; L100-W102 HydrophobicContact CD1-CZ2 3.22Å; L100-W102 HydrophobicContact CG-CH2 4.34Å; L100-W102 HydrophobicContact CG-CZ2 4.14Å; L100-W102 PolarHBondContact O-N 2.81Å; L100-E103 HydrophobicContact CB-CG 4.34Å; L100-E103 WeakPolarHBondContact CB-OE2 3.43Å; L100-E103 PolarHBondContact N-OE2 3.3Å; L100-E103 WeakPolarHBondContact O-CB 3.21Å; L100-E103 PolarHBondContact O-N 3.31Å
101	V	93.9	Very high	90.8	Very high	111 Å²	111	99.9 Å²	99.9	67%	0.673	57%	0.566	S	S	*	*	G	3₁₀ helix	trans	-58.6	-38	-170.3	176	0	0	0	0	112.7	E103 N104	V101-E103 VanDerWaalsContact C-N 3.32Å; V101-E103 PolarHBondContact O-N 3.07Å; V101-N104 PolarHBondContact O-N 3.07Å
102	W	93.2	Very high	90.7	Very high	119 Å²	119	105.6 Å²	105.6	45%	0.451	58%	0.582	S	S	.	*	G	3₁₀ helix	trans	-79.4	-9.4	-178.5	59.9	82.1	0	0	0	114.2	L100 N104 W105	L100-W102 VanDerWaalsContact C-N 3.27Å; L100-W102 HydrophobicContact CB-CD2 4.16Å; L100-W102 HydrophobicContact CB-CE3 4.33Å; L100-W102 HydrophobicContact CB-CH2 4.09Å; L100-W102 HydrophobicContact CB-CZ2 3.9Å; L100-W102 HydrophobicContact CB-CZ3 4.29Å; L100-W102 HydrophobicContact CD1-CH2 3.67Å; L100-W102 HydrophobicContact CD1-CZ2 3.22Å; L100-W102 HydrophobicContact CG-CH2 4.34Å; L100-W102 HydrophobicContact CG-CZ2 4.14Å; L100-W102 PolarHBondContact O-N 2.81Å; W102-N104 PolarHBondContact O-N 3.07Å; W102-W105 HydrophobicContact CB-CD2 3.86Å; W102-W105 HydrophobicContact CB-CE3 4.21Å; W102-W105 HydrophobicContact CB-CG 4.32Å; W102-W105 HydrophobicContact CB-CH2 4.32Å; W102-W105 HydrophobicContact CB-CZ2 3.97Å; W102-W105 HydrophobicContact CB-CZ3 4.42Å; W102-W105 WeakPolarHBondContact O-CB 3.38Å; W102-W105 PolarHBondContact O-N 3.39Å
103	E	92.9	Very high	90.7	Very high	69 Å²	69	101.6 Å²	101.6	32%	0.322	56%	0.563	S	S	.	*	G	3₁₀ helix	trans	-70.1	-18	172.9	-67.4	-179.6	91	0	0	111.9	R84 Q99 L100 V101 W105	R84-E103 WeakPolarHBondContact CD-OE2 3.48Å; R84-E103 IonicContact CZ-OE1 3.42Å; R84-E103 IonicContact NH1-OE1 3.96Å; Q99-E103 HydrophobicContact CB-CB 4.34Å; L100-E103 HydrophobicContact CB-CG 4.34Å; L100-E103 WeakPolarHBondContact CB-OE2 3.43Å; L100-E103 PolarHBondContact N-OE2 3.3Å; L100-E103 WeakPolarHBondContact O-CB 3.21Å; L100-E103 PolarHBondContact O-N 3.31Å; V101-E103 VanDerWaalsContact C-N 3.32Å; V101-E103 PolarHBondContact O-N 3.07Å; E103-W105 VanDerWaalsContact C-N 3.31Å
104	N	92.5	Very high	90.8	Very high	115 Å²	115	100.3 Å²	100.3	62%	0.615	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-87.1	5.4	173.4	-72.2	-41.1	0	0	0	113.7	Q99 V101 W102	Q99-N104 PolarHBondContact OE1-OD1 3.4Å; V101-N104 PolarHBondContact O-N 3.07Å; W102-N104 PolarHBondContact O-N 3.07Å
105	W	94.8	Very high	91.4	Very high	151 Å²	151	92.9 Å²	92.9	57%	0.572	52%	0.515	S	S	*	.	S	Bend	trans	-71.6	149.9	176.7	-71.2	4	0	0	0	111.1	W102 E103 V107	W102-W105 HydrophobicContact CB-CD2 3.86Å; W102-W105 HydrophobicContact CB-CE3 4.21Å; W102-W105 HydrophobicContact CB-CG 4.32Å; W102-W105 HydrophobicContact CB-CH2 4.32Å; W102-W105 HydrophobicContact CB-CZ2 3.97Å; W102-W105 HydrophobicContact CB-CZ3 4.42Å; W102-W105 WeakPolarHBondContact O-CB 3.38Å; W102-W105 PolarHBondContact O-N 3.39Å; E103-W105 VanDerWaalsContact C-N 3.31Å; W105-V107 PolarHBondContact O-N 2.98Å
106	P	92.1	Very high	92.3	Very high	132 Å²	132	93.3 Å²	93.3	86%	0.857	52%	0.516	S	S	*	.	S	Bend	trans	-66.9	-12.5	-172.3	26.6	-36.3	0	0	0	114.3
107	V	92.3	Very high	93	Very high	115 Å²	115	94 Å²	94	70%	0.697	50%	0.503	S	S	*	.			trans	-137.9	126.4	-176.4	-178.6	0	0	0	0	109.8	W105	W105-V107 PolarHBondContact O-N 2.98Å
108	A	93.5	Very high	93.4	Very high	101 Å²	101	94.7 Å²	94.7	84%	0.835	50%	0.496	S	S	*	.			trans	-121.1	142.7	167.2	0	0	0	0	0	109.3
109	S	93	Very high	93.4	Very high	105 Å²	105	102 Å²	102	73%	0.734	53%	0.534	S	S	*	.			trans	-149	158.9	-179.4	-170.5	0	0	0	0	111.4
110	L	92.6	Very high	93.5	Very high	149 Å²	149	102.9 Å²	102.9	78%	0.78	55%	0.546	S	S	*	.			trans	-101.3	135.6	174.8	-62.4	176.6	0	0	0	109.9
111	V	92.2	Very high	93.6	Very high	97 Å²	97	104 Å²	104	59%	0.588	55%	0.554	S	S	*	*			trans	-118.4	133.8	-179.5	179.9	0	0	0	0	109.9	T113 F130	V111-T113 HydrophobicContact CG1-CG2 4.41Å; V111-F130 HydrophobicContact CG1-CE1 4.3Å; V111-F130 HydrophobicContact CG1-CZ 4.4Å
112	R	91	Very high	93.7	Very high	219 Å²	219	99.4 Å²	99.4	83%	0.826	53%	0.525	S	S	*	.			trans	-90.5	111.3	174.5	-66.1	-177.8	179	120	-1	110.7	F114 K135	R112-F114 HydrophobicContact CB-CD1 4.4Å; R112-F114 HydrophobicContact CB-CE1 4.48Å; R112-K135 PolarHBondContact O-NZ 3.14Å
113	T	94.3	Very high	93.9	Very high	72 Å²	72	94.2 Å²	94.2	44%	0.442	51%	0.507	S	S	.	.			trans	-100.5	122.5	177.3	56.2	0	0	0	0	110.6	V111 T121	V111-T113 HydrophobicContact CG1-CG2 4.41Å; T113-T121 HydrophobicContact CG2-CG2 4.5Å
114	F	95.5	Very high	94.2	Very high	61 Å²	61	91 Å²	91	27%	0.268	49%	0.492	S	S	.	.			trans	-162.4	156.2	178.4	64.4	-83.4	0	0	0	107.8	V35 W41 R112 L119 K135	V35-F114 HydrophobicContact CG1-CE2 3.68Å; V35-F114 HydrophobicContact CG2-CE2 4.35Å; W41-F114 HydrophobicContact CH2-CZ 4.22Å; R112-F114 HydrophobicContact CB-CD1 4.4Å; R112-F114 HydrophobicContact CB-CE1 4.48Å; F114-L119 WeakPolarHBondContact CB-O 3.41Å; F114-K135 VanDerWaalsContact CE1-NZ 3.28Å; F114-K135 HydrophobicContact CE2-CD 4.42Å; F114-K135 HydrophobicContact CZ-CD 4.42Å; F114-K135 WeakPolarHBondContact O-CD 3.47Å; F114-K135 PolarHBondContact O-NZ 3.08Å
115	N	96.1	Very high	94.4	Very high	3 Å²	3	85.6 Å²	85.6	2%	0.016	46%	0.463	C	S	.	.			trans	-90.2	167.6	178.1	-66.9	4.6	0	0	0	110.1	D117 R118 T121 D122 S125 S136 H138	N115-D117 PolarHBondContact O-N 3.34Å; N115-D117 VanDerWaalsContact O-N 3.15Å; N115-R118 HydrophobicContact CB-CB 4.1Å; N115-R118 PolarHBondContact N-O 2.86Å; N115-T121 WeakPolarHBondContact OD1-CA 3.32Å; N115-T121 WeakPolarHBondContact OD1-CB 3.5Å; N115-T121 PolarHBondContact OD1-OG1 3.37Å; N115-D122 PolarHBondContact ND2-OD2 3.48Å; N115-D122 PolarHBondContact OD1-N 3.06Å; N115-S125 VanDerWaalsContact CG-CB 3.46Å; N115-S125 PolarHBondContact ND2-OG 3.25Å; N115-S125 WeakPolarHBondContact OD1-CB 3.24Å; N115-S125 PolarHBondContact OD1-OG 3.5Å; N115-S136 CarbonylContact C-O 3.54Å; N115-S136 WeakPolarHBondContact CA-O 3.38Å; N115-S136 VanDerWaalsContact CB-O 3.28Å; N115-S136 WeakPolarHBondContact CB-O 3.11Å; N115-H138 WeakPolarHBondContact ND2-CA 3.32Å; N115-H138 WeakPolarHBondContact ND2-CB 3.22Å; N115-H138 PolarHBondContact ND2-N 2.95Å
116	S	94.9	Very high	94.5	Very high	27 Å²	27	79.1 Å²	79.1	19%	0.189	44%	0.442	C	S	.	.	S	Bend	trans	-63.6	-19.6	175.6	59.4	0	0	0	0	113.5	S136 P137	S116-S136 PolarHBondContact N-O 3.24Å; S116-S136 PolarHBondContact OG-O 3.32Å; S116-P137 WeakPolarHBondContact OG-CA 3.49Å
117	D	94.3	Very high	94.8	Very high	83 Å²	83	73 Å²	73	44%	0.444	40%	0.402	S	S	.	.	S	Bend	trans	-128.3	5.1	-174.4	67.9	-21.6	0	0	0	114.3	N115 P137 H138	N115-D117 PolarHBondContact O-N 3.34Å; N115-D117 VanDerWaalsContact O-N 3.15Å; D117-P137 WeakPolarHBondContact OD1-CA 3.23Å; D117-H138 PolarHBondContact OD1-N 2.91Å
118	R	93.6	Very high	95.1	Very high	138 Å²	138	67.5 Å²	67.5	52%	0.521	37%	0.369	S	S	.	.			trans	-145.1	148.1	179.2	-59.8	-67.7	177.7	101.4	-4.4	112.1	N115 T120 H138	N115-R118 HydrophobicContact CB-CB 4.1Å; N115-R118 PolarHBondContact N-O 2.86Å; R118-T120 WeakPolarHBondContact CB-O 3.39Å; R118-H138 HydrophobicContact CG-CB 3.78Å
119	L	93.1	Very high	95.3	Very high	165 Å²	165	63.9 Å²	63.9	86%	0.864	34%	0.339	S	S	*	.	S	Bend	trans	-71.1	-36	174.9	-61.2	178.9	0	0	0	112.6	F114	F114-L119 WeakPolarHBondContact CB-O 3.41Å
120	T	93.9	Very high	95.5	Very high	114 Å²	114	63.7 Å²	63.7	70%	0.699	33%	0.325	S	S	*	.	S	Bend	trans	-94	136.2	175.3	-50.4	0	0	0	0	109.4	R118	R118-T120 WeakPolarHBondContact CB-O 3.39Å
121	T	96.2	Very high	95.8	Very high	38 Å²	38	57 Å²	57	23%	0.233	29%	0.29	C	S	.	.			trans	-83.7	162.9	176.2	-151.5	0	0	0	0	112.2	T113 N115 A126	T113-T121 HydrophobicContact CG2-CG2 4.5Å; N115-T121 WeakPolarHBondContact OD1-CA 3.32Å; N115-T121 WeakPolarHBondContact OD1-CB 3.5Å; N115-T121 PolarHBondContact OD1-OG1 3.37Å; T121-A126 HydrophobicContact CG2-CB 3.94Å
122	D	96.5	Very high	96	Very high	15 Å²	15	53.8 Å²	53.8	8%	0.08	27%	0.272	C	S	.	.			trans	-121.2	158.2	163.1	77.4	82.2	0	0	0	109.3	N115 G124 S125 A126 H138 K139 R198	N115-D122 PolarHBondContact ND2-OD2 3.48Å; N115-D122 PolarHBondContact OD1-N 3.06Å; D122-G124 VanDerWaalsContact C-N 3.25Å; D122-G124 PolarHBondContact O-N 2.96Å; D122-G124 VanDerWaalsContact O-N 3.14Å; D122-G124 PolarHBondContact OD1-N 3.35Å; D122-S125 PolarHBondContact O-N 2.97Å; D122-S125 VanDerWaalsContact O-N 3.11Å; D122-S125 PolarHBondContact OD2-OG 2.75Å; D122-A126 PolarHBondContact O-N 3.39Å; D122-H138 WeakPolarHBondContact OD2-CA 3.29Å; D122-H138 IonicContact OD2-CD2 3.04Å; D122-H138 PolarHBondContact OD2-CD2 2.84Å; D122-K139 PolarHBondContact OD2-N 3.12Å; D122-R198 VanDerWaalsContact CB-NH1 3.35Å; D122-R198 IonicContact OD1-CZ 3.22Å; D122-R198 IonicContact OD1-NH1 2.68Å; D122-R198 PolarHBondContact OD1-NH1 3.31Å
123	S	97.5	Very high	96.3	Very high	10 Å²	10	45.6 Å²	45.6	7%	0.07	26%	0.256	C	S	.	.	H	α-helix	trans	-55.5	-36.1	-171.1	-35.3	0	0	0	0	114.1	D73 A126 A127 T187	D73-S123 VanDerWaalsContact CG-OG 3.28Å; D73-S123 VanDerWaalsContact OD1-CB 3.28Å; D73-S123 WeakPolarHBondContact OD1-CB 3.43Å; D73-S123 PolarHBondContact OD1-OG 3.44Å; D73-S123 WeakPolarHBondContact OD2-CB 3.45Å; D73-S123 PolarHBondContact OD2-OG 2.94Å; S123-A126 PolarHBondContact O-N 3.28Å; S123-A127 WeakPolarHBondContact O-CB 3.35Å; S123-A127 PolarHBondContact O-N 3.47Å; S123-T187 WeakPolarHBondContact CB-OG1 3.34Å
124	G	97.6	Very high	96.4	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-65.8	-46.2	178.4	0	0	0	0	0	112.4	D122 T128 T140	D122-G124 VanDerWaalsContact C-N 3.25Å; D122-G124 PolarHBondContact O-N 2.96Å; D122-G124 VanDerWaalsContact O-N 3.14Å; D122-G124 PolarHBondContact OD1-N 3.35Å; G124-T128 WeakPolarHBondContact O-CB 3.46Å; G124-T128 PolarHBondContact O-N 3.27Å; G124-T128 PolarHBondContact O-OG1 2.79Å; G124-T140 CarbonylContact C-O 3.58Å
125	S	97.4	Very high	96.5	Very high	2 Å²	2	41 Å²	41	1%	0.014	23%	0.231	C	C	.	.	H	α-helix	trans	-68.6	-38.4	176.5	-63.5	0	0	0	0	112.7	N115 D122 A129 S136 P137	N115-S125 VanDerWaalsContact CG-CB 3.46Å; N115-S125 PolarHBondContact ND2-OG 3.25Å; N115-S125 WeakPolarHBondContact OD1-CB 3.24Å; N115-S125 PolarHBondContact OD1-OG 3.5Å; D122-S125 PolarHBondContact O-N 2.97Å; D122-S125 VanDerWaalsContact O-N 3.11Å; D122-S125 PolarHBondContact OD2-OG 2.75Å; S125-A129 PolarHBondContact O-N 3.19Å; S125-S136 PolarHBondContact OG-O 3.32Å; S125-P137 PolarHBondContact OG-O 2.88Å
126	A	97.8	Very high	96.5	Very high	16 Å²	16	41 Å²	41	13%	0.132	23%	0.231	C	C	.	.	H	α-helix	trans	-63.8	-49.2	176	0	0	0	0	0	111.5	T121 D122 S123 T128 A129 F130	T121-A126 HydrophobicContact CG2-CB 3.94Å; D122-A126 PolarHBondContact O-N 3.39Å; S123-A126 PolarHBondContact O-N 3.28Å; A126-T128 VanDerWaalsContact C-N 3.32Å; A126-T128 PolarHBondContact O-N 3.49Å; A126-A129 WeakPolarHBondContact O-CB 3.4Å; A126-A129 PolarHBondContact O-N 3.14Å; A126-A129 VanDerWaalsContact O-N 3.14Å; A126-F130 WeakPolarHBondContact O-CD2 3.18Å; A126-F130 PolarHBondContact O-N 2.85Å
127	A	98.3	Very high	96.6	Very high	2 Å²	2	39.9 Å²	39.9	2%	0.017	22%	0.223	C	C	.	.	H	α-helix	trans	-62.1	-40	177.9	0	0	0	0	0	112	S123 A129 F130 M131 T187 A190	S123-A127 WeakPolarHBondContact O-CB 3.35Å; S123-A127 PolarHBondContact O-N 3.47Å; A127-A129 PolarHBondContact O-N 2.92Å; A127-F130 PolarHBondContact O-N 2.92Å; A127-M131 HydrophobicContact CB-CE 3.8Å; A127-M131 WeakPolarHBondContact O-CB 3.16Å; A127-M131 WeakPolarHBondContact O-CE 3.44Å; A127-M131 PolarHBondContact O-N 3.23Å; A127-T187 HydrophobicContact CB-CG2 3.83Å; A127-A190 HydrophobicContact CB-CB 3.7Å
128	T	98.4	Very high	96.8	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.006	21%	0.213	C	C	.	.	H	α-helix	trans	-57.8	-48.7	172.3	-58.6	0	0	0	0	110.4	G124 A126 F130 M131 S132 V134 G142 A161	G124-T128 WeakPolarHBondContact O-CB 3.46Å; G124-T128 PolarHBondContact O-N 3.27Å; G124-T128 PolarHBondContact O-OG1 2.79Å; A126-T128 VanDerWaalsContact C-N 3.32Å; A126-T128 PolarHBondContact O-N 3.49Å; T128-F130 PolarHBondContact O-N 2.89Å; T128-M131 PolarHBondContact O-N 2.68Å; T128-S132 WeakPolarHBondContact O-CB 3.22Å; T128-S132 PolarHBondContact O-N 2.92Å; T128-S132 PolarHBondContact O-OG 3.26Å; T128-V134 HydrophobicContact CG2-CG2 4.35Å; T128-G142 PolarHBondContact OG1-N 2.93Å; T128-A161 HydrophobicContact CG2-CB 3.72Å
129	A	97.7	Very high	97	Very high	25 Å²	25	35.5 Å²	35.5	21%	0.207	21%	0.205	C	C	.	.	H	α-helix	trans	-61.7	-42.7	178	0	0	0	0	0	113	S125 A126 A127 M131 G133 V134 K135	S125-A129 PolarHBondContact O-N 3.19Å; A126-A129 WeakPolarHBondContact O-CB 3.4Å; A126-A129 PolarHBondContact O-N 3.14Å; A126-A129 VanDerWaalsContact O-N 3.14Å; A127-A129 PolarHBondContact O-N 2.92Å; A129-M131 PolarHBondContact O-N 3.1Å; A129-G133 VanDerWaalsContact O-CA 3.26Å; A129-G133 WeakPolarHBondContact O-CA 3.29Å; A129-G133 PolarHBondContact O-N 3.48Å; A129-V134 VanDerWaalsContact CA-O 3.23Å; A129-V134 WeakPolarHBondContact CA-O 3.31Å; A129-V134 WeakPolarHBondContact CB-O 3.3Å; A129-K135 HydrophobicContact CB-CD 4.48Å
130	F	97.4	Very high	97.2	Very high	100 Å²	100	27.6 Å²	27.6	44%	0.439	16%	0.164	S	C	.	.	H	α-helix	trans	-64.5	-37.5	177.7	-76.1	-58.2	0	0	0	113.2	L69 I71 V111 A126 A127 T128	L69-F130 HydrophobicContact CD2-CB 4.39Å; I71-F130 HydrophobicContact CD1-CB 4.47Å; I71-F130 HydrophobicContact CD1-CD2 4.18Å; V111-F130 HydrophobicContact CG1-CE1 4.3Å; V111-F130 HydrophobicContact CG1-CZ 4.4Å; A126-F130 WeakPolarHBondContact O-CD2 3.18Å; A126-F130 PolarHBondContact O-N 2.85Å; A127-F130 PolarHBondContact O-N 2.92Å; T128-F130 PolarHBondContact O-N 2.89Å
131	M	97.8	Very high	97.4	Very high	8 Å²	8	22.2 Å²	22.2	4%	0.039	13%	0.13	C	C	.	.	H	α-helix	trans	-94.3	-24.7	-173.6	-70	-174.3	-81.3	0	0	114.2	L69 A127 T128 A129 S163 S164 T187 A190 A191 L336	L69-M131 HydrophobicContact CD2-CG 4.43Å; A127-M131 HydrophobicContact CB-CE 3.8Å; A127-M131 WeakPolarHBondContact O-CB 3.16Å; A127-M131 WeakPolarHBondContact O-CE 3.44Å; A127-M131 PolarHBondContact O-N 3.23Å; T128-M131 PolarHBondContact O-N 2.68Å; A129-M131 PolarHBondContact O-N 3.1Å; M131-S163 CarbonylContact O-C 3.51Å; M131-S164 WeakPolarHBondContact O-CB 3.45Å; M131-S164 PolarHBondContact O-N 3.08Å; M131-S164 PolarHBondContact O-OG 3.45Å; M131-T187 WeakPolarHBondContact CE-O 3.29Å; M131-A190 HydrophobicContact CE-CB 3.42Å; M131-A190 VanDerWaalsContact CE-CB 3.42Å; M131-A191 HydrophobicContact CE-CB 4.21Å; M131-A191 HydrophobicContact SD-CB 3.65Å; M131-L336 HydrophobicContact CE-CD2 4.21Å; M131-L336 HydrophobicContact SD-CD2 3.8Å
132	S	97.3	Very high	97.5	Very high	30 Å²	30	20.4 Å²	20.4	21%	0.21	12%	0.12	C	C	.	.	H	α-helix	trans	-121.7	-6.7	-177.3	79.2	0	0	0	0	114.2	T128 V134 K162	T128-S132 WeakPolarHBondContact O-CB 3.22Å; T128-S132 PolarHBondContact O-N 2.92Å; T128-S132 PolarHBondContact O-OG 3.26Å; S132-V134 VanDerWaalsContact C-N 3.29Å; S132-V134 PolarHBondContact O-N 3.22Å; S132-V134 VanDerWaalsContact OG-CG2 3.31Å; S132-V134 WeakPolarHBondContact OG-CG2 3.49Å; S132-K162 VanDerWaalsContact CB-O 3.22Å; S132-K162 WeakPolarHBondContact CB-O 3.46Å
133	G	96.4	Very high	97.6	Very high	47 Å²	47	19.7 Å²	19.7	49%	0.485	12%	0.116	S	C	.	.	S	Bend	trans	74.4	10.2	177.7	0	0	0	0	0	115.5	W41 A129	W41-G133 VanDerWaalsContact CB-O 3.29Å; W41-G133 WeakPolarHBondContact CB-O 3.26Å; A129-G133 VanDerWaalsContact O-CA 3.26Å; A129-G133 WeakPolarHBondContact O-CA 3.29Å; A129-G133 PolarHBondContact O-N 3.48Å
134	V	97	Very high	97.6	Very high	18 Å²	18	19.4 Å²	19.4	11%	0.109	11%	0.114	C	C	.	.	S	Bend	trans	-118.6	151.2	-179	-53.3	0	0	0	0	111.3	P38 W41 T128 A129 S132 T144 A161	P38-V134 HydrophobicContact CB-CB 4.43Å; P38-V134 HydrophobicContact CB-CG1 3.79Å; W41-V134 HydrophobicContact CB-CG1 4.44Å; T128-V134 HydrophobicContact CG2-CG2 4.35Å; A129-V134 VanDerWaalsContact CA-O 3.23Å; A129-V134 WeakPolarHBondContact CA-O 3.31Å; A129-V134 WeakPolarHBondContact CB-O 3.3Å; S132-V134 VanDerWaalsContact C-N 3.29Å; S132-V134 PolarHBondContact O-N 3.22Å; S132-V134 VanDerWaalsContact OG-CG2 3.31Å; S132-V134 WeakPolarHBondContact OG-CG2 3.49Å; V134-T144 HydrophobicContact CG2-CG2 4.02Å; V134-A161 HydrophobicContact CG2-CB 3.95Å
135	K	96.5	Very high	97.5	Very high	20 Å²	20	20 Å²	20	9%	0.087	12%	0.12	C	C	.	.			trans	-79.6	145.7	171.7	-66.2	-67	-172.1	159.7	0	111	V35 W41 R112 F114 A129 G145	V35-K135 HydrophobicContact CG1-CB 4.05Å; V35-K135 HydrophobicContact CG1-CG 4.1Å; W41-K135 HydrophobicContact CD2-CG 4.29Å; W41-K135 VanDerWaalsContact CE2-CG 3.42Å; W41-K135 HydrophobicContact CH2-CG 3.89Å; W41-K135 HydrophobicContact CZ2-CB 4.09Å; W41-K135 HydrophobicContact CZ2-CD 4.39Å; W41-K135 HydrophobicContact CZ2-CG 3.22Å; R112-K135 PolarHBondContact O-NZ 3.14Å; F114-K135 VanDerWaalsContact CE1-NZ 3.28Å; F114-K135 HydrophobicContact CE2-CD 4.42Å; F114-K135 HydrophobicContact CZ-CD 4.42Å; F114-K135 WeakPolarHBondContact O-CD 3.47Å; F114-K135 PolarHBondContact O-NZ 3.08Å; A129-K135 HydrophobicContact CB-CD 4.48Å; K135-G145 PolarHBondContact O-N 3.45Å
136	S	97.5	Very high	97.4	Very high	1 Å²	1	23 Å²	23	1%	0.007	14%	0.138	C	C	.	.			trans	-125.8	147.7	-172.5	-172.5	0	0	0	0	109.6	N115 S116 S125 T140 I143	N115-S136 CarbonylContact C-O 3.54Å; N115-S136 WeakPolarHBondContact CA-O 3.38Å; N115-S136 VanDerWaalsContact CB-O 3.28Å; N115-S136 WeakPolarHBondContact CB-O 3.11Å; S116-S136 PolarHBondContact N-O 3.24Å; S116-S136 PolarHBondContact OG-O 3.32Å; S125-S136 PolarHBondContact OG-O 3.32Å; S136-T140 PolarHBondContact OG-OG1 3.38Å; S136-I143 WeakPolarHBondContact CA-O 3.17Å; S136-I143 WeakPolarHBondContact CB-O 3.43Å; S136-I143 PolarHBondContact OG-O 3.18Å
137	P	97.2	Very high	97.2	Very high	4 Å²	4	23.3 Å²	23.3	3%	0.026	14%	0.138	C	C	.	.			trans	-77.7	154.8	177.4	18.6	-13	0	0	0	111.6	S116 D117 S125 K139 T140 T144 V147	S116-P137 WeakPolarHBondContact OG-CA 3.49Å; D117-P137 WeakPolarHBondContact OD1-CA 3.23Å; S125-P137 PolarHBondContact OG-O 2.88Å; P137-K139 PolarHBondContact O-N 3.47Å; P137-T140 WeakPolarHBondContact CD-OG1 3.39Å; P137-T140 HydrophobicContact CG-CG2 4.03Å; P137-T140 PolarHBondContact O-N 3.08Å; P137-T140 PolarHBondContact O-OG1 3.1Å; P137-T144 WeakPolarHBondContact CD-O 3.33Å; P137-V147 WeakPolarHBondContact CG-O 3.5Å
138	H	97.4	Very high	96.9	Very high	50 Å²	50	32 Å²	32	23%	0.231	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	137.3	-179.7	178.8	-113.2	0	0	0	113.9	N115 D117 R118 D122 T140 C149	N115-H138 WeakPolarHBondContact ND2-CA 3.32Å; N115-H138 WeakPolarHBondContact ND2-CB 3.22Å; N115-H138 PolarHBondContact ND2-N 2.95Å; D117-H138 PolarHBondContact OD1-N 2.91Å; R118-H138 HydrophobicContact CG-CB 3.78Å; D122-H138 WeakPolarHBondContact OD2-CA 3.29Å; D122-H138 IonicContact OD2-CD2 3.04Å; D122-H138 PolarHBondContact OD2-CD2 2.84Å; H138-T140 PolarHBondContact O-N 3.26Å; H138-C149 VanDerWaalsContact O-CB 3.25Å; H138-C149 WeakPolarHBondContact O-CB 3.42Å
139	K	97.6	Very high	96.6	Very high	79 Å²	79	33.2 Å²	33.2	34%	0.343	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.1	4	-178.8	-68.5	172.7	166.5	-159.8	0	116	D122 P137 C149 H197 R198	D122-K139 PolarHBondContact OD2-N 3.12Å; P137-K139 PolarHBondContact O-N 3.47Å; K139-C149 VanDerWaalsContact CB-SG 3.55Å; K139-H197 CarbonylContact O-C 3.51Å; K139-H197 WeakPolarHBondContact O-CA 3.29Å; K139-R198 HydrophobicContact CB-CG 4.44Å; K139-R198 WeakPolarHBondContact O-CB 3.31Å; K139-R198 PolarHBondContact O-N 2.76Å
140	T	98.3	Very high	96.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.196	C	C	.	.			trans	-95.9	162.8	177.7	68.8	0	0	0	0	112	G124 S136 P137 H138 I143 C149	G124-T140 CarbonylContact C-O 3.58Å; S136-T140 PolarHBondContact OG-OG1 3.38Å; P137-T140 WeakPolarHBondContact CD-OG1 3.39Å; P137-T140 HydrophobicContact CG-CG2 4.03Å; P137-T140 PolarHBondContact O-N 3.08Å; P137-T140 PolarHBondContact O-OG1 3.1Å; H138-T140 PolarHBondContact O-N 3.26Å; T140-I143 HydrophobicContact CG2-CB 4.44Å; T140-I143 HydrophobicContact CG2-CG1 4.47Å; T140-C149 HydrophobicContact CG2-CB 3.7Å
141	V	98.5	Very high	96.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-131.5	122	178.6	174.9	0	0	0	0	108.3	I143 A186 A189 A190 N194 M195 R198	V141-I143 PolarHBondContact O-N 2.74Å; V141-A186 HydrophobicContact CG2-CB 4.1Å; V141-A189 HydrophobicContact CG1-CB 3.83Å; V141-A190 HydrophobicContact CG1-CB 3.95Å; V141-A190 VanDerWaalsContact CG1-N 3.33Å; V141-N194 CarbonylContact O-C 3.54Å; V141-N194 WeakPolarHBondContact O-CA 3.43Å; V141-M195 HydrophobicContact CB-CB 4.33Å; V141-M195 HydrophobicContact CB-CE 3.79Å; V141-M195 HydrophobicContact CG1-CE 3.97Å; V141-M195 HydrophobicContact CG2-CE 3.84Å; V141-M195 PolarHBondContact N-O 2.73Å; V141-M195 PolarHBondContact O-N 3.41Å; V141-R198 HydrophobicContact CG2-CB 3.67Å
142	G	98.3	Very high	96.3	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.01	20%	0.197	C	C	.	.	S	Bend	trans	64.3	27	180	0	0	0	0	0	113.6	T128 A161 N194	T128-G142 PolarHBondContact OG1-N 2.93Å; G142-A161 WeakPolarHBondContact O-CB 3.39Å; G142-A161 PolarHBondContact O-N 3.45Å; G142-N194 PolarHBondContact O-ND2 3.17Å
143	I	98.2	Very high	96.3	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-111.7	135.3	179	-56.5	-61.4	0	0	0	109.1	S136 T140 V141 V147 L155 N194 M195 L196	S136-I143 WeakPolarHBondContact CA-O 3.17Å; S136-I143 WeakPolarHBondContact CB-O 3.43Å; S136-I143 PolarHBondContact OG-O 3.18Å; T140-I143 HydrophobicContact CG2-CB 4.44Å; T140-I143 HydrophobicContact CG2-CG1 4.47Å; V141-I143 PolarHBondContact O-N 2.74Å; I143-V147 HydrophobicContact CG2-CB 4.13Å; I143-L155 HydrophobicContact CD1-CD1 3.37Å; I143-L155 HydrophobicContact CD1-CD2 4.08Å; I143-L155 HydrophobicContact CD1-CG 4.38Å; I143-N194 HydrophobicContact CD1-CB 3.98Å; I143-M195 VanDerWaalsContact CG1-O 3.3Å; I143-M195 WeakPolarHBondContact CG1-O 3.48Å; I143-L196 HydrophobicContact CD1-CD2 4.28Å; I143-L196 HydrophobicContact CG1-CD2 4.16Å; I143-L196 HydrophobicContact CG2-CD2 4.11Å
144	T	97.6	Very high	96.2	Very high	4 Å²	4	40.9 Å²	40.9	3%	0.025	21%	0.21	C	C	.	.			trans	-71.7	164.1	172.4	69.3	0	0	0	0	110.8	P38 V134 P137 T146 L158 E159 A161	P38-T144 HydrophobicContact CB-CG2 4.11Å; P38-T144 HydrophobicContact CG-CG2 4.23Å; V134-T144 HydrophobicContact CG2-CG2 4.02Å; P137-T144 WeakPolarHBondContact CD-O 3.33Å; T144-T146 PolarHBondContact O-N 2.77Å; T144-T146 PolarHBondContact OG1-OG1 2.84Å; T144-L158 VanDerWaalsContact CG2-O 3.29Å; T144-L158 WeakPolarHBondContact CG2-O 2.94Å; T144-L158 PolarHBondContact OG1-O 3.23Å; T144-E159 PolarHBondContact N-O 3.46Å; T144-E159 WeakPolarHBondContact OG1-CA 3.18Å; T144-E159 PolarHBondContact OG1-O 2.81Å; T144-A161 HydrophobicContact CG2-CB 4.21Å
145	G	95.4	Very high	96.2	Very high	12 Å²	12	40.9 Å²	40.9	12%	0.124	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-2.8	-178	0	0	0	0	0	116.2	A36 K135	A36-G145 WeakPolarHBondContact CB-O 3.19Å; A36-G145 CarbonylContact O-C 3.52Å; A36-G145 VanDerWaalsContact O-C 3.3Å; A36-G145 WeakPolarHBondContact O-CA 3.28Å; A36-G145 PolarHBondContact O-N 3.48Å; K135-G145 PolarHBondContact O-N 3.45Å
146	T	94.1	Very high	96.2	Very high	66 Å²	66	47 Å²	47	41%	0.405	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-13.7	-173.4	62.2	0	0	0	0	114.6	A36 T144	A36-T146 PolarHBondContact O-N 3.37Å; T144-T146 PolarHBondContact O-N 2.77Å; T144-T146 PolarHBondContact OG1-OG1 2.84Å
147	V	93.6	Very high	96	Very high	22 Å²	22	52.1 Å²	52.1	13%	0.133	26%	0.26	C	S	.	.	S	Bend	trans	-123.6	137.3	-177.1	-171.2	0	0	0	0	110.5	P137 I143 L155 E159 L196	P137-V147 WeakPolarHBondContact CG-O 3.5Å; I143-V147 HydrophobicContact CG2-CB 4.13Å; V147-L155 HydrophobicContact CG1-CD2 4.49Å; V147-L155 HydrophobicContact CG2-CD2 4.41Å; V147-E159 HydrophobicContact CG2-CB 3.65Å; V147-E159 HydrophobicContact CG2-CG 3.41Å; V147-E159 VanDerWaalsContact CG2-CG 3.41Å; V147-L196 HydrophobicContact CB-CD2 4.21Å; V147-L196 HydrophobicContact CG1-CD2 3.6Å
148	K	91.8	Very high	95.9	Very high	183 Å²	183	57.7 Å²	57.7	80%	0.796	29%	0.289	S	S	*	.			trans	-79.4	150.2	176.9	-67.3	-173.4	179.6	-180	0	111.8
149	C	93.9	Very high	95.9	Very high	28 Å²	28	56.9 Å²	56.9	19%	0.189	29%	0.285	C	S	.	.	S	Bend	trans	-60.4	154.3	172.9	175.1	0	0	0	0	113.4	H138 K139 T140 L196	H138-C149 VanDerWaalsContact O-CB 3.25Å; H138-C149 WeakPolarHBondContact O-CB 3.42Å; K139-C149 VanDerWaalsContact CB-SG 3.55Å; T140-C149 HydrophobicContact CG2-CB 3.7Å; C149-L196 PolarHBondContact SG-O 3.48Å
150	C	93.3	Very high	95.9	Very high	68 Å²	68	56.4 Å²	56.4	46%	0.459	28%	0.281	S	S	.	.	S	Bend	trans	93.2	-6.3	142.5	-42.6	0	0	0	0	115.7	L196 H197	C150-L196 PolarHBondContact N-O 3.19Å; C150-H197 VanDerWaalsContact SG-CD2 3.59Å
151	K	96.1	Very high	95.8	Very high	110 Å²	110	56.9 Å²	56.9	48%	0.478	29%	0.285	S	S	.	.	S	Bend	trans	-100.3	136.9	166.3	-170.1	173.7	-179.8	179.8	0	109.4	T153 L196 E208	K151-T153 PolarHBondContact O-N 2.77Å; K151-L196 WeakPolarHBondContact O-CD1 3.48Å; K151-E208 WeakPolarHBondContact CE-OE2 3.32Å; K151-E208 VanDerWaalsContact NZ-CD 3.35Å; K151-E208 IonicContact NZ-OE1 2.67Å; K151-E208 PolarHBondContact NZ-OE1 3.11Å; K151-E208 IonicContact NZ-OE2 3.19Å; K151-E208 PolarHBondContact NZ-OE2 2.86Å
152	C	96.7	Very high	95.6	Very high	4 Å²	4	60.6 Å²	60.6	3%	0.027	30%	0.301	C	S	.	.			trans	-69.4	121.8	171	177.8	0	0	0	0	110.1	W200 P205 N207 C213	C152-W200 HydrophobicContact CB-CH2 4.12Å; C152-P205 HydrophobicContact CB-CG 4.07Å; C152-P205 PolarHBondContact SG-O 2.91Å; C152-N207 HydrophobicContact CB-CB 4.31Å; C152-N207 VanDerWaalsContact O-CB 3.24Å; C152-N207 WeakPolarHBondContact O-CB 3.08Å; C152-N207 PolarHBondContact O-ND2 3.38Å; C152-C213 WeakPolarHBondContact CA-SG 3.47Å; C152-C213 HydrophobicContact CB-CB 4Å; C152-C213 WeakPolarHBondContact CB-SG 3.43Å; C152-C213 VanDerWaalsContact SG-CA 3.6Å; C152-C213 WeakPolarHBondContact SG-CB 3.36Å; C152-C213 PolarHBondContact SG-N 2.87Å; C152-C213 CovalentContact SG-SG 2.04Å; C152-C213 PolarHBondContact SG-SG 3.17Å
153	T	96.1	Very high	95.6	Very high	59 Å²	59	60.7 Å²	60.7	36%	0.362	30%	0.302	S	S	.	.			trans	-142.1	143	179.1	-59.8	0	0	0	0	108.3	K151 L155	K151-T153 PolarHBondContact O-N 2.77Å; T153-L155 PolarHBondContact O-N 2.88Å
154	E	95.6	Very high	95.6	Very high	130 Å²	130	62.6 Å²	62.6	61%	0.607	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-68	116.3	171.6	-174.7	170.4	-162.1	0	0	109.6	F211	E154-F211 HydrophobicContact CB-CD1 4.18Å; E154-F211 HydrophobicContact CB-CD2 3.97Å; E154-F211 HydrophobicContact CB-CE1 4Å; E154-F211 HydrophobicContact CB-CE2 3.78Å; E154-F211 HydrophobicContact CB-CG 4.17Å; E154-F211 HydrophobicContact CB-CZ 3.81Å; E154-F211 HydrophobicContact CG-CD2 4.21Å; E154-F211 HydrophobicContact CG-CE2 3.68Å; E154-F211 HydrophobicContact CG-CZ 3.91Å
155	L	95.9	Very high	95.6	Very high	18 Å²	18	62.6 Å²	62.6	9%	0.094	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-78.5	141.8	-176.7	-63.2	167.5	0	0	0	111.3	I143 V147 T153 E159 R160 N194 L196	I143-L155 HydrophobicContact CD1-CD1 3.37Å; I143-L155 HydrophobicContact CD1-CD2 4.08Å; I143-L155 HydrophobicContact CD1-CG 4.38Å; V147-L155 HydrophobicContact CG1-CD2 4.49Å; V147-L155 HydrophobicContact CG2-CD2 4.41Å; T153-L155 PolarHBondContact O-N 2.88Å; L155-E159 WeakPolarHBondContact CA-OE2 3.3Å; L155-E159 HydrophobicContact CD2-CB 4.12Å; L155-R160 HydrophobicContact CB-CG 4.08Å; L155-R160 HydrophobicContact CD1-CG 4.23Å; L155-R160 PolarHBondContact O-NH1 3.24Å; L155-R160 PolarHBondContact O-NH2 2.87Å; L155-N194 HydrophobicContact CD1-CB 4.06Å; L155-L196 HydrophobicContact CD2-CD1 3.97Å; L155-L196 HydrophobicContact CD2-CD2 3.99Å; L155-L196 HydrophobicContact CD2-CG 4.09Å; L155-L196 HydrophobicContact CG-CD1 4.5Å
156	K	96.2	Very high	95.7	Very high	148 Å²	148	63.4 Å²	63.4	64%	0.643	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-81.4	159.8	165.4	-59.4	175.4	-175.1	173	0	110.4	L158 E159 R160	K156-L158 VanDerWaalsContact C-N 3.28Å; K156-L158 PolarHBondContact O-N 3.14Å; K156-E159 HydrophobicContact CB-CG 4.09Å; K156-E159 PolarHBondContact N-OE2 3.46Å; K156-E159 WeakPolarHBondContact O-CB 3.33Å; K156-E159 PolarHBondContact O-N 2.95Å; K156-R160 PolarHBondContact O-N 3.29Å
157	E	94.6	Very high	95.8	Very high	109 Å²	109	66.9 Å²	66.9	51%	0.509	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-36.3	179.5	-78.1	-58.2	104.1	0	0	114	E159 R160 K162	E157-E159 PolarHBondContact O-N 3.05Å; E157-R160 PolarHBondContact O-N 3.17Å; E157-R160 IonicContact OE1-CZ 3.55Å; E157-R160 IonicContact OE1-NE 2.65Å; E157-R160 IonicContact OE1-NH1 2.79Å; E157-R160 PolarHBondContact OE1-NH1 2.95Å; E157-K162 WeakPolarHBondContact OE2-CE 3.28Å; E157-K162 IonicContact OE2-NZ 4Å; E157-K162 PolarHBondContact OE2-NZ 3.05Å
158	L	94.3	Very high	96	Very high	121 Å²	121	66.5 Å²	66.5	63%	0.634	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-25.9	176.7	-175.8	65.3	0	0	0	112.6	P38 T144 K156	P38-L158 HydrophobicContact CG-CD1 3.91Å; P38-L158 HydrophobicContact CG-CG 4.34Å; T144-L158 VanDerWaalsContact CG2-O 3.29Å; T144-L158 WeakPolarHBondContact CG2-O 2.94Å; T144-L158 PolarHBondContact OG1-O 3.23Å; K156-L158 VanDerWaalsContact C-N 3.28Å; K156-L158 PolarHBondContact O-N 3.14Å
159	E	97.3	Very high	96.2	Very high	33 Å²	33	58.9 Å²	58.9	15%	0.154	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-22.3	-177.7	-60.4	170.4	166.9	0	0	111.5	T144 V147 L155 K156 E157	T144-E159 PolarHBondContact N-O 3.46Å; T144-E159 WeakPolarHBondContact OG1-CA 3.18Å; T144-E159 PolarHBondContact OG1-O 2.81Å; V147-E159 HydrophobicContact CG2-CB 3.65Å; V147-E159 HydrophobicContact CG2-CG 3.41Å; V147-E159 VanDerWaalsContact CG2-CG 3.41Å; L155-E159 WeakPolarHBondContact CA-OE2 3.3Å; L155-E159 HydrophobicContact CD2-CB 4.12Å; K156-E159 HydrophobicContact CB-CG 4.09Å; K156-E159 PolarHBondContact N-OE2 3.46Å; K156-E159 WeakPolarHBondContact O-CB 3.33Å; K156-E159 PolarHBondContact O-N 2.95Å; E157-E159 PolarHBondContact O-N 3.05Å
160	R	97.5	Very high	96.3	Very high	68 Å²	68	65.4 Å²	65.4	26%	0.257	32%	0.317	S	S	.	.	B	Isolated β-bridge	trans	-82.2	114.5	175.4	-64.7	-175.6	179.1	86.8	12.3	110.6	L155 K156 E157 K162 N194	L155-R160 HydrophobicContact CB-CG 4.08Å; L155-R160 HydrophobicContact CD1-CG 4.23Å; L155-R160 PolarHBondContact O-NH1 3.24Å; L155-R160 PolarHBondContact O-NH2 2.87Å; K156-R160 PolarHBondContact O-N 3.29Å; E157-R160 PolarHBondContact O-N 3.17Å; E157-R160 IonicContact OE1-CZ 3.55Å; E157-R160 IonicContact OE1-NE 2.65Å; E157-R160 IonicContact OE1-NH1 2.79Å; E157-R160 PolarHBondContact OE1-NH1 2.95Å; R160-K162 PolarHBondContact O-N 2.6Å; R160-N194 HydrophobicContact CG-CB 4.1Å
161	A	97.3	Very high	96.5	Very high	10 Å²	10	64.6 Å²	64.6	8%	0.083	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-71.7	128	168.3	0	0	0	0	0	109.7	T128 V134 G142 T144 N194	T128-A161 HydrophobicContact CG2-CB 3.72Å; V134-A161 HydrophobicContact CG2-CB 3.95Å; G142-A161 WeakPolarHBondContact O-CB 3.39Å; G142-A161 PolarHBondContact O-N 3.45Å; T144-A161 HydrophobicContact CG2-CB 4.21Å; A161-N194 PolarHBondContact O-ND2 3.3Å
162	K	94.5	Very high	96.5	Very high	78 Å²	78	60.9 Å²	60.9	34%	0.339	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-98.4	117.5	179	-66	177.5	-178.1	175.9	0	108.8	S132 E157 R160 Y167	S132-K162 VanDerWaalsContact CB-O 3.22Å; S132-K162 WeakPolarHBondContact CB-O 3.46Å; E157-K162 WeakPolarHBondContact OE2-CE 3.28Å; E157-K162 IonicContact OE2-NZ 4Å; E157-K162 PolarHBondContact OE2-NZ 3.05Å; R160-K162 PolarHBondContact O-N 2.6Å; K162-Y167 HydrophobicContact CB-CD2 4.35Å; K162-Y167 HydrophobicContact CB-CE2 3.53Å
163	S	98.1	Very high	96.6	Very high	3 Å²	3	64.3 Å²	64.3	2%	0.021	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-72.1	153.7	-179.3	73.7	0	0	0	0	111.8	M131 I165 M166 Y167 A191	M131-S163 CarbonylContact O-C 3.51Å; S163-I165 PolarHBondContact O-N 2.97Å; S163-M166 PolarHBondContact O-N 3.17Å; S163-M166 WeakPolarHBondContact OG-CG 3.4Å; S163-M166 PolarHBondContact OG-N 3.15Å; S163-M166 VanDerWaalsContact OG-N 3.07Å; S163-Y167 VanDerWaalsContact O-CD2 3.29Å; S163-Y167 WeakPolarHBondContact O-CD2 3.38Å; S163-Y167 PolarHBondContact O-N 2.9Å; S163-A191 WeakPolarHBondContact CB-O 3.44Å; S163-A191 PolarHBondContact OG-O 3.2Å
164	S	97.7	Very high	96.7	Very high	41 Å²	41	62 Å²	62	29%	0.287	31%	0.309	S	S	.	.	H	α-helix	trans	-57.9	-32.9	170.5	54.2	0	0	0	0	112.1	M131 Y167 A168 L334	M131-S164 WeakPolarHBondContact O-CB 3.45Å; M131-S164 PolarHBondContact O-N 3.08Å; M131-S164 PolarHBondContact O-OG 3.45Å; S164-Y167 PolarHBondContact O-N 3.45Å; S164-A168 VanDerWaalsContact O-CB 3.24Å; S164-A168 WeakPolarHBondContact O-CB 3.31Å; S164-A168 PolarHBondContact O-N 3.43Å; S164-L334 VanDerWaalsContact C-CD2 3.46Å
165	I	98.3	Very high	96.9	Very high	3 Å²	3	55.9 Å²	55.9	2%	0.015	28%	0.28	C	S	.	.	H	α-helix	trans	-59.6	-46.1	172.2	-63.9	-74.2	0	0	0	110.7	S163 A168 S169 T175 A191 V227 L334 L336	S163-I165 PolarHBondContact O-N 2.97Å; I165-A168 PolarHBondContact O-N 3.16Å; I165-S169 WeakPolarHBondContact O-CB 3.38Å; I165-S169 PolarHBondContact O-N 3.49Å; I165-T175 HydrophobicContact CG2-CG2 4.39Å; I165-A191 HydrophobicContact CB-CB 4.3Å; I165-A191 HydrophobicContact CG1-CB 4.09Å; I165-A191 HydrophobicContact CG2-CB 4.48Å; I165-V227 HydrophobicContact CG2-CG2 4.06Å; I165-L334 HydrophobicContact CD1-CB 4.35Å; I165-L334 HydrophobicContact CD1-CD2 3.78Å; I165-L334 HydrophobicContact CD1-CG 3.65Å; I165-L334 HydrophobicContact CG1-CD2 4.16Å; I165-L336 HydrophobicContact CD1-CB 4.42Å
166	M	96.5	Very high	97	Very high	29 Å²	29	55 Å²	55	14%	0.143	28%	0.276	C	S	.	.	H	α-helix	trans	-67.2	-38.1	177	-66.6	-62.3	97.8	0	0	112.3	S163 K170 V227	S163-M166 PolarHBondContact O-N 3.17Å; S163-M166 WeakPolarHBondContact OG-CG 3.4Å; S163-M166 PolarHBondContact OG-N 3.15Å; S163-M166 VanDerWaalsContact OG-N 3.07Å; M166-K170 WeakPolarHBondContact O-CB 3.48Å; M166-K170 VanDerWaalsContact O-CG 3.3Å; M166-K170 WeakPolarHBondContact O-CG 3.25Å; M166-K170 PolarHBondContact O-N 3.33Å; M166-K170 VanDerWaalsContact O-N 3.1Å; M166-V227 HydrophobicContact CE-CG2 3.71Å
167	Y	96.4	Very high	97.2	Very high	139 Å²	139	48 Å²	48	55%	0.545	25%	0.245	S	C	.	.	H	α-helix	trans	-65.7	-45.9	174.7	-77.2	-66.1	0	0	0	112.4	K162 S163 S164 K170 A171	K162-Y167 HydrophobicContact CB-CD2 4.35Å; K162-Y167 HydrophobicContact CB-CE2 3.53Å; S163-Y167 VanDerWaalsContact O-CD2 3.29Å; S163-Y167 WeakPolarHBondContact O-CD2 3.38Å; S163-Y167 PolarHBondContact O-N 2.9Å; S164-Y167 PolarHBondContact O-N 3.45Å; Y167-K170 PolarHBondContact O-N 3.47Å; Y167-A171 WeakPolarHBondContact O-CB 3.43Å; Y167-A171 PolarHBondContact O-N 2.99Å
168	A	97.7	Very high	97.4	Very high	14 Å²	14	42.8 Å²	42.8	12%	0.116	22%	0.221	C	C	.	.	H	α-helix	trans	-61.3	-46.4	178.6	0	0	0	0	0	111.2	S164 I165 K170 A171 G172 F173 T175 L334	S164-A168 VanDerWaalsContact O-CB 3.24Å; S164-A168 WeakPolarHBondContact O-CB 3.31Å; S164-A168 PolarHBondContact O-N 3.43Å; I165-A168 PolarHBondContact O-N 3.16Å; A168-K170 PolarHBondContact O-N 3.46Å; A168-A171 PolarHBondContact O-N 2.97Å; A168-A171 VanDerWaalsContact O-N 3.15Å; A168-G172 PolarHBondContact O-N 3.44Å; A168-F173 HydrophobicContact CB-CB 4.11Å; A168-F173 WeakPolarHBondContact O-CB 3.24Å; A168-F173 PolarHBondContact O-N 2.92Å; A168-T175 HydrophobicContact CB-CG2 3.69Å; A168-L334 HydrophobicContact CB-CB 4.02Å; A168-L334 HydrophobicContact CB-CD2 4.05Å
169	S	96.7	Very high	97.6	Very high	23 Å²	23	37 Å²	37	16%	0.161	19%	0.191	C	C	.	.	H	α-helix	trans	-59.4	-45.2	176.2	-178.4	0	0	0	0	111.8	I165 A171 G172 H226	I165-S169 WeakPolarHBondContact O-CB 3.38Å; I165-S169 PolarHBondContact O-N 3.49Å; S169-A171 VanDerWaalsContact C-N 3.3Å; S169-A171 PolarHBondContact O-N 2.84Å; S169-G172 PolarHBondContact O-N 2.9Å; S169-H226 WeakPolarHBondContact OG-CB 3.45Å
170	K	95.9	Very high	97.7	Very high	166 Å²	166	36.3 Å²	36.3	72%	0.722	19%	0.189	S	C	*	.	H	α-helix	trans	-64.2	-31.6	175.9	-74.6	178.3	-178.7	-176.7	0	113.5	M166 Y167 A168 G172	M166-K170 WeakPolarHBondContact O-CB 3.48Å; M166-K170 VanDerWaalsContact O-CG 3.3Å; M166-K170 WeakPolarHBondContact O-CG 3.25Å; M166-K170 PolarHBondContact O-N 3.33Å; M166-K170 VanDerWaalsContact O-N 3.1Å; Y167-K170 PolarHBondContact O-N 3.47Å; A168-K170 PolarHBondContact O-N 3.46Å; K170-G172 PolarHBondContact O-N 3.21Å
171	A	96.9	Very high	97.7	Very high	51 Å²	51	33.1 Å²	33.1	42%	0.421	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-3.9	174.9	0	0	0	0	0	113.5	Y167 A168 S169 F173 K331	Y167-A171 WeakPolarHBondContact O-CB 3.43Å; Y167-A171 PolarHBondContact O-N 2.99Å; A168-A171 PolarHBondContact O-N 2.97Å; A168-A171 VanDerWaalsContact O-N 3.15Å; S169-A171 VanDerWaalsContact C-N 3.3Å; S169-A171 PolarHBondContact O-N 2.84Å; A171-F173 HydrophobicContact CB-CD2 3.76Å; A171-F173 HydrophobicContact CB-CE2 3.91Å; A171-K331 PolarHBondContact O-NZ 2.77Å; A171-K331 VanDerWaalsContact O-NZ 3.11Å
172	G	97.1	Very high	97.8	Very high	32 Å²	32	34.3 Å²	34.3	33%	0.33	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	13.1	178.1	0	0	0	0	0	114.4	A168 S169 K170 N329	A168-G172 PolarHBondContact O-N 3.44Å; S169-G172 PolarHBondContact O-N 2.9Å; K170-G172 PolarHBondContact O-N 3.21Å; G172-N329 PolarHBondContact O-ND2 3.19Å
173	F	98.5	Very high	98	Very high	76 Å²	76	30.6 Å²	30.6	33%	0.333	16%	0.163	S	C	.	.			trans	-75	150.9	167.8	-67.1	-105.4	0	0	0	109.6	A168 A171 K331	A168-F173 HydrophobicContact CB-CB 4.11Å; A168-F173 WeakPolarHBondContact O-CB 3.24Å; A168-F173 PolarHBondContact O-N 2.92Å; A171-F173 HydrophobicContact CB-CD2 3.76Å; A171-F173 HydrophobicContact CB-CE2 3.91Å; F173-K331 HydrophobicContact CD1-CB 4.31Å; F173-K331 WeakPolarHBondContact CD1-O 3.3Å; F173-K331 HydrophobicContact CE1-CB 4.43Å; F173-K331 WeakPolarHBondContact CE1-O 3.24Å
174	S	98.7	Very high	98	Very high	11 Å²	11	30.4 Å²	30.4	8%	0.077	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	144.6	170	-79.2	0	0	0	0	110	N228 N329 G332 F333 L334	S174-N228 VanDerWaalsContact CA-OD1 3.22Å; S174-N228 WeakPolarHBondContact CA-OD1 3.45Å; S174-N228 WeakPolarHBondContact CB-OD1 3.32Å; S174-N228 PolarHBondContact OG-OD1 3.02Å; S174-N329 PolarHBondContact N-ND2 3.23Å; S174-N329 VanDerWaalsContact OG-CB 3.24Å; S174-N329 WeakPolarHBondContact OG-CB 3.25Å; S174-N329 PolarHBondContact OG-ND2 2.94Å; S174-N329 VanDerWaalsContact OG-ND2 3.1Å; S174-G332 PolarHBondContact N-O 3.25Å; S174-G332 VanDerWaalsContact N-O 3.08Å; S174-F333 CarbonylContact O-C 3.56Å; S174-F333 WeakPolarHBondContact O-CA 3.49Å; S174-F333 WeakPolarHBondContact O-CB 3.37Å; S174-L334 PolarHBondContact O-N 3.14Å
175	T	98.9	Very high	98.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	146.7	-177.3	56.7	0	0	0	0	112.8	I165 A168 V227 N228 V229 L326 L334	I165-T175 HydrophobicContact CG2-CG2 4.39Å; A168-T175 HydrophobicContact CB-CG2 3.69Å; T175-V227 WeakPolarHBondContact O-CG1 3.39Å; T175-N228 PolarHBondContact N-OD1 2.78Å; T175-N228 VanDerWaalsContact N-OD1 3.09Å; T175-N228 WeakPolarHBondContact O-CB 3.16Å; T175-N228 PolarHBondContact O-N 3.02Å; T175-V229 PolarHBondContact O-N 2.88Å; T175-L326 VanDerWaalsContact O-CD2 3.32Å; T175-L326 WeakPolarHBondContact O-CD2 3.34Å; T175-L334 VanDerWaalsContact CA-O 3.24Å; T175-L334 WeakPolarHBondContact CA-O 3.33Å; T175-L334 HydrophobicContact CG2-CB 4.44Å
176	G	98.9	Very high	98.1	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	157	178.1	0	0	0	0	0	114.8	V229 L334 L336	G176-V229 CarbonylContact C-O 3.48Å; G176-V229 WeakPolarHBondContact CA-O 3.34Å; G176-L334 PolarHBondContact N-O 3.08Å; G176-L336 PolarHBondContact O-N 3.13Å
177	I	98.9	Very high	98.2	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	115.8	177.6	-58.2	167.8	0	0	0	106.8	P188 A191 Y192 V227 V229 I230 M231 L336	I177-P188 HydrophobicContact CG2-CB 3.73Å; I177-A191 HydrophobicContact CD1-CB 3.57Å; I177-A191 HydrophobicContact CG1-CB 4.02Å; I177-Y192 HydrophobicContact CD1-CD1 3.87Å; I177-V227 HydrophobicContact CD1-CG1 4.34Å; I177-V227 HydrophobicContact CG1-CG1 4.34Å; I177-V229 PolarHBondContact N-O 3.1Å; I177-I230 CarbonylContact O-C 3.59Å; I177-I230 VanDerWaalsContact O-CA 3.28Å; I177-I230 WeakPolarHBondContact O-CA 3.48Å; I177-M231 PolarHBondContact O-N 2.87Å; I177-L336 CarbonylContact C-O 3.52Å; I177-L336 HydrophobicContact CG2-CD2 4.3Å
178	V	98.9	Very high	98.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	130.9	175.8	177.5	0	0	0	0	108.3	M231 L315 M318 A322 L335 L336 V337 E338	V178-M231 CarbonylContact C-O 3.43Å; V178-M231 VanDerWaalsContact CA-O 3.31Å; V178-M231 WeakPolarHBondContact CA-O 3.17Å; V178-M231 HydrophobicContact CG2-CB 4.4Å; V178-M231 HydrophobicContact CG2-CE 4.08Å; V178-L315 HydrophobicContact CG1-CD1 3.74Å; V178-M318 HydrophobicContact CG1-CB 3.5Å; V178-M318 VanDerWaalsContact CG1-CB 3.5Å; V178-M318 HydrophobicContact CG1-CE 4.17Å; V178-M318 HydrophobicContact CG1-SD 4.44Å; V178-A322 HydrophobicContact CG2-CB 3.77Å; V178-L335 HydrophobicContact CG2-CD1 3.99Å; V178-L336 PolarHBondContact N-O 3.22Å; V178-V337 CarbonylContact O-C 3.43Å; V178-V337 VanDerWaalsContact O-CA 3.29Å; V178-V337 WeakPolarHBondContact O-CA 3.44Å; V178-E338 PolarHBondContact O-N 3.45Å
179	T	98.9	Very high	98.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	151.7	-178.9	179	0	0	0	0	112	A181 V183 P188 M231 G232 E338	T179-A181 VanDerWaalsContact C-N 3.34Å; T179-A181 WeakPolarHBondContact OG1-CB 3.12Å; T179-A181 PolarHBondContact OG1-N 3Å; T179-V183 HydrophobicContact CG2-CG1 4.06Å; T179-P188 HydrophobicContact CG2-CB 4.11Å; T179-P188 HydrophobicContact CG2-CG 4.1Å; T179-M231 PolarHBondContact N-O 2.88Å; T179-G232 WeakPolarHBondContact O-CA 3.37Å; T179-E338 WeakPolarHBondContact CA-O 3.24Å; T179-E338 VanDerWaalsContact CB-OE2 3.29Å; T179-E338 WeakPolarHBondContact CB-OE2 3.32Å; T179-E338 PolarHBondContact OG1-OE2 3.25Å
180	T	98.7	Very high	98.4	Very high	18 Å²	18	19.7 Å²	19.7	11%	0.11	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	-5.3	164.6	60.7	0	0	0	0	113.4	L303 L315 E338 G340 R341	T180-L303 WeakPolarHBondContact O-CB 3.41Å; T180-L303 PolarHBondContact O-N 3.4Å; T180-L315 HydrophobicContact CG2-CB 3.9Å; T180-L315 HydrophobicContact CG2-CD1 4.14Å; T180-L315 HydrophobicContact CG2-CD2 4.31Å; T180-L315 HydrophobicContact CG2-CG 4.35Å; T180-E338 PolarHBondContact N-O 2.8Å; T180-E338 VanDerWaalsContact N-O 3.14Å; T180-G340 PolarHBondContact OG1-N 3.39Å; T180-R341 PolarHBondContact OG1-N 2.71Å; T180-R341 VanDerWaalsContact OG1-N 3.17Å
181	A	98.6	Very high	98.5	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-172.8	175.1	0	0	0	0	0	111.8	T179 H185 G233 H302	T179-A181 VanDerWaalsContact C-N 3.34Å; T179-A181 WeakPolarHBondContact OG1-CB 3.12Å; T179-A181 PolarHBondContact OG1-N 3Å; A181-H185 HydrophobicContact CB-CB 4.18Å; A181-G233 PolarHBondContact O-N 3.11Å; A181-H302 WeakPolarHBondContact CA-ND1 3.39Å
182	R	98.8	Very high	98.6	Very high	35 Å²	35	9.6 Å²	9.6	13%	0.132	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	136.7	165.2	-60.3	-176.5	-73.7	-95.5	0.2	107.5	T184 H185 P188 E201 G233 E237 S301 H302	R182-T184 PolarHBondContact O-N 3.39Å; R182-T184 VanDerWaalsContact O-N 3.08Å; R182-H185 HydrophobicContact CB-CB 4.17Å; R182-H185 WeakPolarHBondContact O-CB 3.35Å; R182-H185 PolarHBondContact O-N 3.32Å; R182-P188 VanDerWaalsContact O-CG 3.22Å; R182-P188 WeakPolarHBondContact O-CG 3.37Å; R182-E201 IonicContact CZ-OE1 3.6Å; R182-E201 VanDerWaalsContact CZ-OE1 3.22Å; R182-E201 IonicContact CZ-OE2 3.59Å; R182-E201 IonicContact NE-OE1 3.6Å; R182-E201 PolarHBondContact NE-OE1 3.39Å; R182-E201 IonicContact NE-OE2 3.68Å; R182-E201 PolarHBondContact NE-OE2 2.91Å; R182-E201 IonicContact NH2-OE1 2.91Å; R182-E201 PolarHBondContact NH2-OE1 2.84Å; R182-E201 IonicContact NH2-OE2 3.03Å; R182-G233 WeakPolarHBondContact CA-O 3.3Å; R182-E237 WeakPolarHBondContact CD-OE1 3.28Å; R182-E237 IonicContact NE-OE1 3.67Å; R182-S301 PolarHBondContact NH1-OG 3.01Å; R182-S301 VanDerWaalsContact NH1-OG 3.08Å; R182-H302 VanDerWaalsContact CZ-CE1 3.49Å; R182-H302 PolarHBondContact N-ND1 2.94Å; R182-H302 VanDerWaalsContact N-ND1 3.2Å; R182-H302 PolarHBondContact NH1-CE1 3.42Å; R182-H302 PolarHBondContact NH1-NE2 2.98Å
183	V	98.8	Very high	98.6	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-17.8	177.7	-60.1	0	0	0	0	112.9	T179 P188 Y192 L220 I230 G233 F238 L297	T179-V183 HydrophobicContact CG2-CG1 4.06Å; V183-P188 WeakPolarHBondContact O-CB 3.31Å; V183-P188 WeakPolarHBondContact O-CG 3.41Å; V183-Y192 PolarHBondContact O-OH 3.15Å; V183-L220 HydrophobicContact CB-CD1 4.47Å; V183-L220 HydrophobicContact CG2-CD1 3.89Å; V183-I230 HydrophobicContact CB-CG2 3.99Å; V183-I230 HydrophobicContact CG1-CG2 3.83Å; V183-I230 HydrophobicContact CG2-CG2 4.43Å; V183-G233 PolarHBondContact N-O 2.93Å; V183-F238 HydrophobicContact CG2-CE2 3.89Å; V183-F238 HydrophobicContact CG2-CZ 3.8Å; V183-L297 HydrophobicContact CB-CD2 4.46Å; V183-L297 HydrophobicContact CG1-CD2 4.01Å; V183-L297 HydrophobicContact CG2-CD2 3.58Å
184	T	98.7	Very high	98.6	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-7.4	173.8	50.4	0	0	0	0	114.3	R182 Y192 E201 A216 A217 E237 F238	R182-T184 PolarHBondContact O-N 3.39Å; R182-T184 VanDerWaalsContact O-N 3.08Å; T184-Y192 WeakPolarHBondContact CA-OH 3.49Å; T184-E201 VanDerWaalsContact C-OE2 3.24Å; T184-E201 WeakPolarHBondContact CB-OE2 3.42Å; T184-E201 WeakPolarHBondContact O-CG 3.33Å; T184-E201 PolarHBondContact OG1-OE2 3.46Å; T184-A216 HydrophobicContact CG2-CB 4.12Å; T184-A217 HydrophobicContact CG2-CB 3.86Å; T184-E237 HydrophobicContact CG2-CB 4.09Å; T184-E237 HydrophobicContact CG2-CG 4.48Å; T184-E237 WeakPolarHBondContact OG1-CG 3.36Å; T184-F238 HydrophobicContact CG2-CE2 3.92Å; T184-F238 HydrophobicContact CG2-CZ 3.74Å
185	H	98.5	Very high	98.6	Very high	14 Å²	14	5.3 Å²	5.3	7%	0.065	3%	0.027	C	C	.	.	S	Bend	trans	-68.3	166.7	179.4	-162.4	-112.9	0	0	0	111	A181 R182 T187 P188 A189 E201	A181-H185 HydrophobicContact CB-CB 4.18Å; R182-H185 HydrophobicContact CB-CB 4.17Å; R182-H185 WeakPolarHBondContact O-CB 3.35Å; R182-H185 PolarHBondContact O-N 3.32Å; H185-T187 PolarHBondContact O-N 3.4Å; H185-P188 HydrophobicContact CB-CG 4.33Å; H185-P188 WeakPolarHBondContact O-CD 3.48Å; H185-P188 VanDerWaalsContact O-CG 3.3Å; H185-P188 WeakPolarHBondContact O-CG 3.31Å; H185-A189 WeakPolarHBondContact O-CB 3.46Å; H185-A189 PolarHBondContact O-N 3.38Å; H185-E201 IonicContact CD2-OE1 2.85Å; H185-E201 PolarHBondContact N-OE2 3.31Å
186	A	98.2	Very high	98.5	Very high	1 Å²	1	5.5 Å²	5.5	1%	0.008	3%	0.027	C	C	.	.	H	α-helix	trans	-54.4	-47.1	-165.7	0	0	0	0	0	114.6	V141 A190 R198	V141-A186 HydrophobicContact CG2-CB 4.1Å; A186-A190 PolarHBondContact O-N 3.35Å; A186-A190 VanDerWaalsContact O-N 3.11Å; A186-R198 HydrophobicContact CB-CB 4.09Å
187	T	98.6	Very high	98.5	Very high	2 Å²	2	6.8 Å²	6.8	1%	0.012	3%	0.033	C	C	.	.	H	α-helix	trans	-64.8	-56.8	-179.2	-51.1	0	0	0	0	113.4	I71 D73 S123 A127 M131 H185 A189 A190 E338	I71-T187 HydrophobicContact CD1-CG2 4.25Å; I71-T187 HydrophobicContact CG2-CG2 4.29Å; D73-T187 PolarHBondContact OD2-OG1 3.29Å; D73-T187 VanDerWaalsContact OD2-OG1 3.1Å; S123-T187 WeakPolarHBondContact CB-OG1 3.34Å; A127-T187 HydrophobicContact CB-CG2 3.83Å; M131-T187 WeakPolarHBondContact CE-O 3.29Å; H185-T187 PolarHBondContact O-N 3.4Å; T187-A189 VanDerWaalsContact C-N 3.32Å; T187-A189 PolarHBondContact O-N 3.43Å; T187-A190 PolarHBondContact O-N 2.96Å; T187-E338 WeakPolarHBondContact CB-OE1 3.19Å; T187-E338 HydrophobicContact CG2-CB 4.5Å; T187-E338 VanDerWaalsContact CG2-CD 3.42Å; T187-E338 HydrophobicContact CG2-CG 3.81Å; T187-E338 WeakPolarHBondContact CG2-OE1 3.49Å; T187-E338 PolarHBondContact OG1-OE1 2.91Å; T187-E338 VanDerWaalsContact OG1-OE1 3.04Å
188	P	98.8	Very high	98.5	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-67.8	-34.2	179.6	27.5	-35.4	0	0	0	111.5	I177 T179 R182 V183 H185 A190 A191 Y192 E338	I177-P188 HydrophobicContact CG2-CB 3.73Å; T179-P188 HydrophobicContact CG2-CB 4.11Å; T179-P188 HydrophobicContact CG2-CG 4.1Å; R182-P188 VanDerWaalsContact O-CG 3.22Å; R182-P188 WeakPolarHBondContact O-CG 3.37Å; V183-P188 WeakPolarHBondContact O-CB 3.31Å; V183-P188 WeakPolarHBondContact O-CG 3.41Å; H185-P188 HydrophobicContact CB-CG 4.33Å; H185-P188 WeakPolarHBondContact O-CD 3.48Å; H185-P188 VanDerWaalsContact O-CG 3.3Å; H185-P188 WeakPolarHBondContact O-CG 3.31Å; P188-A190 VanDerWaalsContact C-N 3.28Å; P188-A190 PolarHBondContact O-N 2.87Å; P188-A191 VanDerWaalsContact O-CB 3.24Å; P188-A191 WeakPolarHBondContact O-CB 3.14Å; P188-A191 PolarHBondContact O-N 3.37Å; P188-A191 VanDerWaalsContact O-N 3.08Å; P188-Y192 WeakPolarHBondContact O-CD1 3.39Å; P188-Y192 WeakPolarHBondContact O-CE1 3.4Å; P188-E338 VanDerWaalsContact CD-OE2 3.32Å; P188-E338 WeakPolarHBondContact CD-OE2 3.5Å
189	A	98.7	Very high	98.4	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-63.1	-31.9	176.9	0	0	0	0	0	112.7	V141 H185 T187 A191 Y192 A193 M195 A216	V141-A189 HydrophobicContact CG1-CB 3.83Å; H185-A189 WeakPolarHBondContact O-CB 3.46Å; H185-A189 PolarHBondContact O-N 3.38Å; T187-A189 VanDerWaalsContact C-N 3.32Å; T187-A189 PolarHBondContact O-N 3.43Å; A189-A191 PolarHBondContact O-N 3.01Å; A189-Y192 HydrophobicContact CB-CE1 4.38Å; A189-Y192 PolarHBondContact O-N 2.73Å; A189-A193 HydrophobicContact CB-CB 4.28Å; A189-A193 WeakPolarHBondContact O-CB 2.9Å; A189-A193 PolarHBondContact O-N 2.94Å; A189-M195 HydrophobicContact CB-CE 4.02Å; A189-A216 HydrophobicContact CB-CB 4.37Å
190	A	98.5	Very high	98.4	Very high	6 Å²	6	14.4 Å²	14.4	5%	0.05	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-14.9	175.8	0	0	0	0	0	113.3	A127 M131 V141 A186 T187 P188 Y192	A127-A190 HydrophobicContact CB-CB 3.7Å; M131-A190 HydrophobicContact CE-CB 3.42Å; M131-A190 VanDerWaalsContact CE-CB 3.42Å; V141-A190 HydrophobicContact CG1-CB 3.95Å; V141-A190 VanDerWaalsContact CG1-N 3.33Å; A186-A190 PolarHBondContact O-N 3.35Å; A186-A190 VanDerWaalsContact O-N 3.11Å; T187-A190 PolarHBondContact O-N 2.96Å; P188-A190 VanDerWaalsContact C-N 3.28Å; P188-A190 PolarHBondContact O-N 2.87Å; A190-Y192 VanDerWaalsContact C-N 3.31Å
191	A	98.5	Very high	98.3	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-18.7	172.9	0	0	0	0	0	113.3	M131 S163 I165 I177 P188 A189 L336	M131-A191 HydrophobicContact CE-CB 4.21Å; M131-A191 HydrophobicContact SD-CB 3.65Å; S163-A191 WeakPolarHBondContact CB-O 3.44Å; S163-A191 PolarHBondContact OG-O 3.2Å; I165-A191 HydrophobicContact CB-CB 4.3Å; I165-A191 HydrophobicContact CG1-CB 4.09Å; I165-A191 HydrophobicContact CG2-CB 4.48Å; I177-A191 HydrophobicContact CD1-CB 3.57Å; I177-A191 HydrophobicContact CG1-CB 4.02Å; P188-A191 VanDerWaalsContact O-CB 3.24Å; P188-A191 WeakPolarHBondContact O-CB 3.14Å; P188-A191 PolarHBondContact O-N 3.37Å; P188-A191 VanDerWaalsContact O-N 3.08Å; A189-A191 PolarHBondContact O-N 3.01Å; A191-L336 HydrophobicContact CB-CD2 4.2Å
192	Y	98.2	Very high	98.3	Very high	6 Å²	6	14.7 Å²	14.7	2%	0.024	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-146.2	-19.4	-172.3	66.6	-99.2	0	0	0	116.2	I177 V183 T184 P188 A189 A190 A216 Q219 L220 N223 A224	I177-Y192 HydrophobicContact CD1-CD1 3.87Å; V183-Y192 PolarHBondContact O-OH 3.15Å; T184-Y192 WeakPolarHBondContact CA-OH 3.49Å; P188-Y192 WeakPolarHBondContact O-CD1 3.39Å; P188-Y192 WeakPolarHBondContact O-CE1 3.4Å; A189-Y192 HydrophobicContact CB-CE1 4.38Å; A189-Y192 PolarHBondContact O-N 2.73Å; A190-Y192 VanDerWaalsContact C-N 3.31Å; Y192-A216 VanDerWaalsContact CE2-O 3.25Å; Y192-A216 WeakPolarHBondContact CE2-O 3.29Å; Y192-A216 PolarHBondContact OH-O 3.16Å; Y192-Q219 HydrophobicContact CD2-CB 4.33Å; Y192-Q219 HydrophobicContact CE2-CB 4.34Å; Y192-L220 HydrophobicContact CD2-CB 4.26Å; Y192-L220 HydrophobicContact CE1-CD1 4.14Å; Y192-L220 HydrophobicContact CE1-CG 4.47Å; Y192-L220 HydrophobicContact CE2-CB 3.69Å; Y192-L220 HydrophobicContact CE2-CG 4.38Å; Y192-N223 VanDerWaalsContact O-CB 3.25Å; Y192-N223 WeakPolarHBondContact O-CB 3.5Å; Y192-N223 PolarHBondContact O-ND2 3.38Å; Y192-A224 HydrophobicContact CD1-CB 4.45Å; Y192-A224 HydrophobicContact CD2-CB 4.47Å; Y192-A224 HydrophobicContact CG-CB 3.97Å
193	A	98.3	Very high	98.2	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.093	C	C	.	.			trans	-108.6	150.3	-173.4	0	0	0	0	0	112	A189 M195 Q219	A189-A193 HydrophobicContact CB-CB 4.28Å; A189-A193 WeakPolarHBondContact O-CB 2.9Å; A189-A193 PolarHBondContact O-N 2.94Å; A193-M195 HydrophobicContact CB-CE 4.41Å; A193-M195 HydrophobicContact CB-CG 4.2Å; A193-Q219 VanDerWaalsContact CA-OE1 3.25Å; A193-Q219 HydrophobicContact CB-CB 4.05Å
194	N	98.1	Very high	98.1	Very high	27 Å²	27	19.7 Å²	19.7	14%	0.144	10%	0.095	C	C	.	.			trans	-120.3	106.2	168.6	-52.3	113.6	0	0	0	107.6	V141 G142 I143 L155 R160 A161 Q219	V141-N194 CarbonylContact O-C 3.54Å; V141-N194 WeakPolarHBondContact O-CA 3.43Å; G142-N194 PolarHBondContact O-ND2 3.17Å; I143-N194 HydrophobicContact CD1-CB 3.98Å; L155-N194 HydrophobicContact CD1-CB 4.06Å; R160-N194 HydrophobicContact CG-CB 4.1Å; A161-N194 PolarHBondContact O-ND2 3.3Å; N194-Q219 PolarHBondContact O-NE2 2.75Å
195	M	97.9	Very high	97.9	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.01	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	-131.7	132.8	-176	-57.6	-175.8	-66.2	0	0	111.4	V141 I143 A189 A193 H197 W200 A216	V141-M195 HydrophobicContact CB-CB 4.33Å; V141-M195 HydrophobicContact CB-CE 3.79Å; V141-M195 HydrophobicContact CG1-CE 3.97Å; V141-M195 HydrophobicContact CG2-CE 3.84Å; V141-M195 PolarHBondContact N-O 2.73Å; V141-M195 PolarHBondContact O-N 3.41Å; I143-M195 VanDerWaalsContact CG1-O 3.3Å; I143-M195 WeakPolarHBondContact CG1-O 3.48Å; A189-M195 HydrophobicContact CB-CE 4.02Å; A193-M195 HydrophobicContact CB-CE 4.41Å; A193-M195 HydrophobicContact CB-CG 4.2Å; M195-H197 PolarHBondContact O-N 3.42Å; M195-W200 HydrophobicContact SD-CB 4.18Å; M195-A216 HydrophobicContact CE-CB 3.76Å; M195-A216 HydrophobicContact SD-CB 3.56Å; M195-A216 VanDerWaalsContact SD-CB 3.56Å; M195-A216 PolarHBondContact SD-N 2.52Å; M195-A216 VanDerWaalsContact SD-N 3.4Å
196	L	97.8	Very high	97.8	Very high	3 Å²	3	24.8 Å²	24.8	2%	0.016	13%	0.131	C	C	.	.	S	Bend	trans	-77.9	-1.5	175.6	-69.5	169.1	0	0	0	113.2	I143 V147 C149 C150 K151 L155 W200	I143-L196 HydrophobicContact CD1-CD2 4.28Å; I143-L196 HydrophobicContact CG1-CD2 4.16Å; I143-L196 HydrophobicContact CG2-CD2 4.11Å; V147-L196 HydrophobicContact CB-CD2 4.21Å; V147-L196 HydrophobicContact CG1-CD2 3.6Å; C149-L196 PolarHBondContact SG-O 3.48Å; C150-L196 PolarHBondContact N-O 3.19Å; K151-L196 WeakPolarHBondContact O-CD1 3.48Å; L155-L196 HydrophobicContact CD2-CD1 3.97Å; L155-L196 HydrophobicContact CD2-CD2 3.99Å; L155-L196 HydrophobicContact CD2-CG 4.09Å; L155-L196 HydrophobicContact CG-CD1 4.5Å; L196-W200 HydrophobicContact CB-CH2 3.88Å; L196-W200 HydrophobicContact CB-CZ3 3.83Å
197	H	98.1	Very high	97.7	Very high	27 Å²	27	26.1 Å²	26.1	13%	0.125	14%	0.138	C	C	.	.	S	Bend	trans	-151.6	130.6	166.6	-160.5	-83.6	0	0	0	110.2	K139 C150 M195 D199 W200	K139-H197 CarbonylContact O-C 3.51Å; K139-H197 WeakPolarHBondContact O-CA 3.29Å; C150-H197 VanDerWaalsContact SG-CD2 3.59Å; M195-H197 PolarHBondContact O-N 3.42Å; H197-D199 IonicContact CE1-OD2 2.73Å; H197-D199 PolarHBondContact CE1-OD2 3.34Å; H197-D199 WeakPolarHBondContact ND1-CB 3.43Å; H197-D199 PolarHBondContact ND1-N 2.96Å; H197-D199 IonicContact ND1-OD2 3.64Å; H197-D199 PolarHBondContact O-N 3.43Å; H197-W200 HydrophobicContact CB-CD2 3.73Å; H197-W200 HydrophobicContact CB-CE3 4.42Å; H197-W200 HydrophobicContact CB-CG 3.98Å; H197-W200 HydrophobicContact CB-CH2 4.46Å; H197-W200 HydrophobicContact CB-CZ2 3.79Å; H197-W200 WeakPolarHBondContact O-CB 3.37Å; H197-W200 PolarHBondContact O-N 3.24Å; H197-W200 VanDerWaalsContact O-N 3.16Å
198	R	98.1	Very high	97.5	Very high	35 Å²	35	32.2 Å²	32.2	13%	0.132	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-27.7	-176.2	60.8	-175.3	-74.5	172.4	-9.5	114	D122 K139 V141 A186 W200	D122-R198 VanDerWaalsContact CB-NH1 3.35Å; D122-R198 IonicContact OD1-CZ 3.22Å; D122-R198 IonicContact OD1-NH1 2.68Å; D122-R198 PolarHBondContact OD1-NH1 3.31Å; K139-R198 HydrophobicContact CB-CG 4.44Å; K139-R198 WeakPolarHBondContact O-CB 3.31Å; K139-R198 PolarHBondContact O-N 2.76Å; V141-R198 HydrophobicContact CG2-CB 3.67Å; A186-R198 HydrophobicContact CB-CB 4.09Å; R198-W200 PolarHBondContact O-N 2.9Å
199	D	97.7	Very high	97.4	Very high	101 Å²	101	39.8 Å²	39.8	54%	0.54	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	2.2	179	-56.3	-17.5	0	0	0	113.6	H197 E201	H197-D199 IonicContact CE1-OD2 2.73Å; H197-D199 PolarHBondContact CE1-OD2 3.34Å; H197-D199 WeakPolarHBondContact ND1-CB 3.43Å; H197-D199 PolarHBondContact ND1-N 2.96Å; H197-D199 IonicContact ND1-OD2 3.64Å; H197-D199 PolarHBondContact O-N 3.43Å; D199-E201 PolarHBondContact O-N 3.32Å
200	W	98	Very high	97.2	Very high	26 Å²	26	42.7 Å²	42.7	10%	0.098	23%	0.231	C	C	.	.			trans	-78.9	53.5	173.2	-62.6	-9.8	0	0	0	111.3	C152 M195 L196 H197 R198 K203 A204 P205 C213 D215 A216	C152-W200 HydrophobicContact CB-CH2 4.12Å; M195-W200 HydrophobicContact SD-CB 4.18Å; L196-W200 HydrophobicContact CB-CH2 3.88Å; L196-W200 HydrophobicContact CB-CZ3 3.83Å; H197-W200 HydrophobicContact CB-CD2 3.73Å; H197-W200 HydrophobicContact CB-CE3 4.42Å; H197-W200 HydrophobicContact CB-CG 3.98Å; H197-W200 HydrophobicContact CB-CH2 4.46Å; H197-W200 HydrophobicContact CB-CZ2 3.79Å; H197-W200 WeakPolarHBondContact O-CB 3.37Å; H197-W200 PolarHBondContact O-N 3.24Å; H197-W200 VanDerWaalsContact O-N 3.16Å; R198-W200 PolarHBondContact O-N 2.9Å; W200-K203 WeakPolarHBondContact CA-O 3.34Å; W200-A204 HydrophobicContact CB-CB 4.09Å; W200-A204 HydrophobicContact CD2-CB 4.1Å; W200-A204 HydrophobicContact CE3-CB 4.08Å; W200-A204 HydrophobicContact CG-CB 4.11Å; W200-P205 HydrophobicContact CD2-CG 4.46Å; W200-P205 HydrophobicContact CH2-CG 3.87Å; W200-P205 HydrophobicContact CZ2-CG 3.33Å; W200-C213 HydrophobicContact CE3-CB 4.12Å; W200-C213 HydrophobicContact CZ3-CB 3.74Å; W200-D215 CarbonylContact O-C 3.29Å; W200-D215 WeakPolarHBondContact O-CA 3.29Å; W200-D215 VanDerWaalsContact O-CB 3.27Å; W200-D215 WeakPolarHBondContact O-CB 3.46Å; W200-A216 PolarHBondContact O-N 3.15Å
201	E	98.4	Very high	97.1	Very high	10 Å²	10	45.6 Å²	45.6	5%	0.047	24%	0.243	C	C	.	.	S	Bend	trans	-74.1	-47	-174.8	-65.1	-167.6	-115.7	0	0	112.3	R182 T184 H185 D199 A216 A217 E237	R182-E201 IonicContact CZ-OE1 3.6Å; R182-E201 VanDerWaalsContact CZ-OE1 3.22Å; R182-E201 IonicContact CZ-OE2 3.59Å; R182-E201 IonicContact NE-OE1 3.6Å; R182-E201 PolarHBondContact NE-OE1 3.39Å; R182-E201 IonicContact NE-OE2 3.68Å; R182-E201 PolarHBondContact NE-OE2 2.91Å; R182-E201 IonicContact NH2-OE1 2.91Å; R182-E201 PolarHBondContact NH2-OE1 2.84Å; R182-E201 IonicContact NH2-OE2 3.03Å; T184-E201 VanDerWaalsContact C-OE2 3.24Å; T184-E201 WeakPolarHBondContact CB-OE2 3.42Å; T184-E201 WeakPolarHBondContact O-CG 3.33Å; T184-E201 PolarHBondContact OG1-OE2 3.46Å; H185-E201 IonicContact CD2-OE1 2.85Å; H185-E201 PolarHBondContact N-OE2 3.31Å; D199-E201 PolarHBondContact O-N 3.32Å; E201-A216 PolarHBondContact O-N 3.28Å; E201-A217 WeakPolarHBondContact O-CB 3.37Å; E201-A217 PolarHBondContact O-N 3.13Å; E201-E237 HydrophobicContact CB-CG 4.46Å
202	S	97.9	Very high	97	Very high	13 Å²	13	49.9 Å²	49.9	9%	0.091	26%	0.263	C	S	.	.	S	Bend	trans	-124	-9	-179.5	46.8	0	0	0	0	114.1	E237 R253	S202-E237 VanDerWaalsContact CB-O 3.32Å; S202-E237 WeakPolarHBondContact CB-O 3.15Å; S202-E237 WeakPolarHBondContact CB-OE2 3.47Å; S202-E237 PolarHBondContact OG-OE2 2.79Å; S202-R253 PolarHBondContact O-NH1 3.43Å
203	K	96.3	Very high	96.9	Very high	134 Å²	134	50.1 Å²	50.1	58%	0.583	27%	0.265	S	S	*	.			trans	-145.1	129.1	-179.5	-179.1	179.5	179	179.8	0	110.1	W200	W200-K203 WeakPolarHBondContact CA-O 3.34Å
204	A	95.9	Very high	96.8	Very high	7 Å²	7	53.2 Å²	53.2	6%	0.058	28%	0.284	C	S	.	.			trans	-124.4	155.1	174.2	0	0	0	0	0	110.1	W200 H212 C213 D215	W200-A204 HydrophobicContact CB-CB 4.09Å; W200-A204 HydrophobicContact CD2-CB 4.1Å; W200-A204 HydrophobicContact CE3-CB 4.08Å; W200-A204 HydrophobicContact CG-CB 4.11Å; A204-H212 PolarHBondContact O-CE1 2.81Å; A204-C213 HydrophobicContact CB-CB 3.98Å; A204-C213 WeakPolarHBondContact CB-O 3.3Å; A204-D215 HydrophobicContact CB-CB 4.32Å
205	P	96.6	Very high	96.8	Very high	51 Å²	51	52 Å²	52	33%	0.331	28%	0.278	S	S	.	.			trans	-83.9	162.4	-180	29.1	-26.9	0	0	0	112.2	C152 W200 C213	C152-P205 HydrophobicContact CB-CG 4.07Å; C152-P205 PolarHBondContact SG-O 2.91Å; W200-P205 HydrophobicContact CD2-CG 4.46Å; W200-P205 HydrophobicContact CH2-CG 3.87Å; W200-P205 HydrophobicContact CZ2-CG 3.33Å; P205-C213 PolarHBondContact O-N 2.99Å; P205-C213 VanDerWaalsContact O-N 3.1Å
206	S	96.3	Very high	96.9	Very high	70 Å²	70	52 Å²	52	49%	0.49	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-96.2	156.4	161.5	-54.6	0	0	0	0	110.2	F211 H212	S206-F211 CarbonylContact C-O 3.51Å; S206-F211 WeakPolarHBondContact CA-O 3.3Å; S206-H212 PolarHBondContact OG-ND1 2.89Å
207	N	95.7	Very high	96.9	Very high	28 Å²	28	51.8 Å²	51.8	15%	0.15	28%	0.277	C	S	.	.			trans	-95.1	175.7	172.8	72	13.8	0	0	0	112.6	C152 H209 G210 F211	C152-N207 HydrophobicContact CB-CB 4.31Å; C152-N207 VanDerWaalsContact O-CB 3.24Å; C152-N207 WeakPolarHBondContact O-CB 3.08Å; C152-N207 PolarHBondContact O-ND2 3.38Å; N207-H209 PolarHBondContact O-N 2.85Å; N207-H209 VanDerWaalsContact O-N 3.12Å; N207-H209 WeakPolarHBondContact OD1-CA 3.31Å; N207-H209 PolarHBondContact OD1-N 3.09Å; N207-G210 PolarHBondContact O-N 2.91Å; N207-G210 PolarHBondContact OD1-N 3.02Å; N207-F211 PolarHBondContact N-O 3Å; N207-F211 WeakPolarHBondContact OD1-CB 3.42Å; N207-F211 PolarHBondContact OD1-N 3.08Å
208	E	94.8	Very high	96.9	Very high	130 Å²	130	51.4 Å²	51.4	61%	0.607	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-17.5	-179.7	62.5	-95.5	-153.1	0	0	114.6	K151	K151-E208 WeakPolarHBondContact CE-OE2 3.32Å; K151-E208 VanDerWaalsContact NZ-CD 3.35Å; K151-E208 IonicContact NZ-OE1 2.67Å; K151-E208 PolarHBondContact NZ-OE1 3.11Å; K151-E208 IonicContact NZ-OE2 3.19Å; K151-E208 PolarHBondContact NZ-OE2 2.86Å
209	H	94.9	Very high	96.9	Very high	160 Å²	160	50.1 Å²	50.1	74%	0.741	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	4.7	177.9	-58.9	-61.6	0	0	0	113	N207 F211	N207-H209 PolarHBondContact O-N 2.85Å; N207-H209 VanDerWaalsContact O-N 3.12Å; N207-H209 WeakPolarHBondContact OD1-CA 3.31Å; N207-H209 PolarHBondContact OD1-N 3.09Å; H209-F211 VanDerWaalsContact C-N 3.31Å; H209-F211 PolarHBondContact O-N 2.91Å
210	G	95.3	Very high	96.9	Very high	60 Å²	60	45.3 Å²	45.3	62%	0.619	25%	0.246	S	C	*	.	S	Bend	trans	82.2	1.4	179.1	0	0	0	0	0	114.8	N207 H212	N207-G210 PolarHBondContact O-N 2.91Å; N207-G210 PolarHBondContact OD1-N 3.02Å; G210-H212 PolarHBondContact O-N 2.86Å
211	F	96.5	Very high	96.9	Very high	67 Å²	67	44.4 Å²	44.4	29%	0.294	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-70.5	128.2	172.1	177.1	-94.2	0	0	0	109.7	E154 S206 N207 H209	E154-F211 HydrophobicContact CB-CD1 4.18Å; E154-F211 HydrophobicContact CB-CD2 3.97Å; E154-F211 HydrophobicContact CB-CE1 4Å; E154-F211 HydrophobicContact CB-CE2 3.78Å; E154-F211 HydrophobicContact CB-CG 4.17Å; E154-F211 HydrophobicContact CB-CZ 3.81Å; E154-F211 HydrophobicContact CG-CD2 4.21Å; E154-F211 HydrophobicContact CG-CE2 3.68Å; E154-F211 HydrophobicContact CG-CZ 3.91Å; S206-F211 CarbonylContact C-O 3.51Å; S206-F211 WeakPolarHBondContact CA-O 3.3Å; N207-F211 PolarHBondContact N-O 3Å; N207-F211 WeakPolarHBondContact OD1-CB 3.42Å; N207-F211 PolarHBondContact OD1-N 3.08Å; H209-F211 VanDerWaalsContact C-N 3.31Å; H209-F211 PolarHBondContact O-N 2.91Å
212	H	96.5	Very high	96.7	Very high	91 Å²	91	47.4 Å²	47.4	42%	0.421	27%	0.265	S	S	.	.	B	Isolated β-bridge	trans	-102.8	118.9	179.2	-172.8	69.4	0	0	0	110.5	A204 S206 G210	A204-H212 PolarHBondContact O-CE1 2.81Å; S206-H212 PolarHBondContact OG-ND1 2.89Å; G210-H212 PolarHBondContact O-N 2.86Å
213	C	96.7	Very high	96.6	Very high	10 Å²	10	49.5 Å²	49.5	7%	0.068	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-68.8	149.5	173	-74.2	0	0	0	0	110.1	C152 W200 A204 P205	C152-C213 WeakPolarHBondContact CA-SG 3.47Å; C152-C213 HydrophobicContact CB-CB 4Å; C152-C213 WeakPolarHBondContact CB-SG 3.43Å; C152-C213 VanDerWaalsContact SG-CA 3.6Å; C152-C213 WeakPolarHBondContact SG-CB 3.36Å; C152-C213 PolarHBondContact SG-N 2.87Å; C152-C213 CovalentContact SG-SG 2.04Å; C152-C213 PolarHBondContact SG-SG 3.17Å; W200-C213 HydrophobicContact CE3-CB 4.12Å; W200-C213 HydrophobicContact CZ3-CB 3.74Å; A204-C213 HydrophobicContact CB-CB 3.98Å; A204-C213 WeakPolarHBondContact CB-O 3.3Å; P205-C213 PolarHBondContact O-N 2.99Å; P205-C213 VanDerWaalsContact O-N 3.1Å
214	T	96.4	Very high	96.5	Very high	66 Å²	66	43.1 Å²	43.1	41%	0.405	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-99.2	134.3	179.7	49.8	0	0	0	0	111	T218 Q219	T214-T218 HydrophobicContact CG2-CG2 4.41Å; T214-Q219 PolarHBondContact O-NE2 2.96Å; T214-Q219 WeakPolarHBondContact OG1-CG 3.32Å; T214-Q219 PolarHBondContact OG1-NE2 2.92Å
215	D	97.9	Very high	96.3	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.011	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-74.5	162.1	177.6	65.3	89.4	0	0	0	112.9	W200 A204 A217 T218 Q219 R253 R257	W200-D215 CarbonylContact O-C 3.29Å; W200-D215 WeakPolarHBondContact O-CA 3.29Å; W200-D215 VanDerWaalsContact O-CB 3.27Å; W200-D215 WeakPolarHBondContact O-CB 3.46Å; A204-D215 HydrophobicContact CB-CB 4.32Å; D215-A217 VanDerWaalsContact C-N 3.35Å; D215-A217 PolarHBondContact O-N 2.8Å; D215-A217 WeakPolarHBondContact OD1-CB 3.3Å; D215-A217 PolarHBondContact OD1-N 3.44Å; D215-T218 VanDerWaalsContact CG-OG1 3.32Å; D215-T218 PolarHBondContact O-N 2.99Å; D215-T218 PolarHBondContact OD1-N 3.45Å; D215-T218 PolarHBondContact OD1-OG1 2.86Å; D215-T218 WeakPolarHBondContact OD2-CB 3.32Å; D215-T218 PolarHBondContact OD2-OG1 3.04Å; D215-Q219 WeakPolarHBondContact O-CG 3.49Å; D215-Q219 PolarHBondContact O-N 3.23Å; D215-R253 IonicContact OD1-CZ 3.64Å; D215-R253 IonicContact OD1-NH1 3.24Å; D215-R253 PolarHBondContact OD1-NH1 3.28Å; D215-R253 IonicContact OD1-NH2 3.73Å; D215-R253 IonicContact OD2-CZ 3.46Å; D215-R253 IonicContact OD2-NH1 2.84Å; D215-R253 IonicContact OD2-NH2 3.99Å; D215-R253 PolarHBondContact OD2-NH2 2.85Å; D215-R257 IonicContact OD2-NH2 2.68Å
216	A	98.5	Very high	96.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-56.6	-44.2	-179	0	0	0	0	0	112.5	T184 A189 Y192 M195 W200 E201 T218 Q219 L220	T184-A216 HydrophobicContact CG2-CB 4.12Å; A189-A216 HydrophobicContact CB-CB 4.37Å; Y192-A216 VanDerWaalsContact CE2-O 3.25Å; Y192-A216 WeakPolarHBondContact CE2-O 3.29Å; Y192-A216 PolarHBondContact OH-O 3.16Å; M195-A216 HydrophobicContact CE-CB 3.76Å; M195-A216 HydrophobicContact SD-CB 3.56Å; M195-A216 VanDerWaalsContact SD-CB 3.56Å; M195-A216 PolarHBondContact SD-N 2.52Å; M195-A216 VanDerWaalsContact SD-N 3.4Å; W200-A216 PolarHBondContact O-N 3.15Å; E201-A216 PolarHBondContact O-N 3.28Å; A216-T218 VanDerWaalsContact C-N 3.33Å; A216-T218 PolarHBondContact O-N 3.39Å; A216-Q219 CarbonylContact O-C 3.43Å; A216-Q219 PolarHBondContact O-N 3.42Å; A216-L220 PolarHBondContact O-N 2.87Å
217	A	98.4	Very high	96.3	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-64.6	-39.8	-179.2	0	0	0	0	0	111.1	T184 E201 D215 L220 L221 E237 F238 L259	T184-A217 HydrophobicContact CG2-CB 3.86Å; E201-A217 WeakPolarHBondContact O-CB 3.37Å; E201-A217 PolarHBondContact O-N 3.13Å; D215-A217 VanDerWaalsContact C-N 3.35Å; D215-A217 PolarHBondContact O-N 2.8Å; D215-A217 WeakPolarHBondContact OD1-CB 3.3Å; D215-A217 PolarHBondContact OD1-N 3.44Å; A217-L220 WeakPolarHBondContact O-CB 3.32Å; A217-L220 PolarHBondContact O-N 3.33Å; A217-L221 WeakPolarHBondContact O-CD1 3.02Å; A217-E237 HydrophobicContact CB-CB 4.47Å; A217-E237 WeakPolarHBondContact CB-O 3.44Å; A217-F238 HydrophobicContact CB-CD1 3.93Å; A217-F238 HydrophobicContact CB-CE1 3.76Å; A217-F238 HydrophobicContact CB-CG 4.38Å; A217-F238 HydrophobicContact CB-CZ 4.06Å; A217-L259 HydrophobicContact CB-CD1 3.82Å
218	T	98.1	Very high	96.5	Very high	18 Å²	18	41.5 Å²	41.5	11%	0.11	23%	0.228	C	C	.	.	H	α-helix	trans	-62.6	-45	171.7	-63	0	0	0	0	111.3	T214 D215 A216 L220 L221 S222 R253 R257	T214-T218 HydrophobicContact CG2-CG2 4.41Å; D215-T218 VanDerWaalsContact CG-OG1 3.32Å; D215-T218 PolarHBondContact O-N 2.99Å; D215-T218 PolarHBondContact OD1-N 3.45Å; D215-T218 PolarHBondContact OD1-OG1 2.86Å; D215-T218 WeakPolarHBondContact OD2-CB 3.32Å; D215-T218 PolarHBondContact OD2-OG1 3.04Å; A216-T218 VanDerWaalsContact C-N 3.33Å; A216-T218 PolarHBondContact O-N 3.39Å; T218-L220 VanDerWaalsContact C-N 3.29Å; T218-L220 PolarHBondContact O-N 3.29Å; T218-L221 PolarHBondContact O-N 3.44Å; T218-L221 VanDerWaalsContact O-N 3.17Å; T218-S222 PolarHBondContact O-N 2.99Å; T218-R253 PolarHBondContact OG1-NH2 2.9Å; T218-R257 PolarHBondContact OG1-NH2 3.34Å
219	Q	98.1	Very high	96.7	Very high	8 Å²	8	35.3 Å²	35.3	4%	0.037	20%	0.199	C	C	.	.	H	α-helix	trans	-67.1	-27.1	179.9	-69.4	-168.4	52.6	0	0	113.1	Y192 A193 N194 T214 D215 A216 L221 S222 N223	Y192-Q219 HydrophobicContact CD2-CB 4.33Å; Y192-Q219 HydrophobicContact CE2-CB 4.34Å; A193-Q219 VanDerWaalsContact CA-OE1 3.25Å; A193-Q219 HydrophobicContact CB-CB 4.05Å; N194-Q219 PolarHBondContact O-NE2 2.75Å; T214-Q219 PolarHBondContact O-NE2 2.96Å; T214-Q219 WeakPolarHBondContact OG1-CG 3.32Å; T214-Q219 PolarHBondContact OG1-NE2 2.92Å; D215-Q219 WeakPolarHBondContact O-CG 3.49Å; D215-Q219 PolarHBondContact O-N 3.23Å; A216-Q219 CarbonylContact O-C 3.43Å; A216-Q219 PolarHBondContact O-N 3.42Å; Q219-L221 VanDerWaalsContact C-N 3.25Å; Q219-L221 PolarHBondContact O-N 3.11Å; Q219-S222 WeakPolarHBondContact CA-OG 3.3Å; Q219-S222 PolarHBondContact O-N 3.16Å; Q219-S222 PolarHBondContact O-OG 3.41Å; Q219-N223 WeakPolarHBondContact O-CA 3.06Å; Q219-N223 VanDerWaalsContact O-CB 3.25Å; Q219-N223 WeakPolarHBondContact O-CB 3.48Å; Q219-N223 PolarHBondContact O-N 2.73Å; Q219-N223 PolarHBondContact OE1-ND2 3.18Å
220	L	98.3	Very high	96.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-60.2	-39.6	172.8	-168.9	151.5	0	0	0	110.9	V183 Y192 A216 A217 T218 A224 S225 I230 F238	V183-L220 HydrophobicContact CB-CD1 4.47Å; V183-L220 HydrophobicContact CG2-CD1 3.89Å; Y192-L220 HydrophobicContact CD2-CB 4.26Å; Y192-L220 HydrophobicContact CE1-CD1 4.14Å; Y192-L220 HydrophobicContact CE1-CG 4.47Å; Y192-L220 HydrophobicContact CE2-CB 3.69Å; Y192-L220 HydrophobicContact CE2-CG 4.38Å; A216-L220 PolarHBondContact O-N 2.87Å; A217-L220 WeakPolarHBondContact O-CB 3.32Å; A217-L220 PolarHBondContact O-N 3.33Å; T218-L220 VanDerWaalsContact C-N 3.29Å; T218-L220 PolarHBondContact O-N 3.29Å; L220-A224 HydrophobicContact CG-CB 4.46Å; L220-A224 CarbonylContact O-C 3.35Å; L220-A224 VanDerWaalsContact O-C 3.3Å; L220-A224 VanDerWaalsContact O-CA 3.32Å; L220-A224 WeakPolarHBondContact O-CA 3.46Å; L220-A224 VanDerWaalsContact O-CB 3.3Å; L220-A224 WeakPolarHBondContact O-CB 3.25Å; L220-A224 PolarHBondContact O-N 3.45Å; L220-A224 VanDerWaalsContact O-N 3.13Å; L220-S225 PolarHBondContact O-N 3.35Å; L220-I230 HydrophobicContact CD1-CD1 4.12Å; L220-I230 HydrophobicContact CD1-CG2 4.23Å; L220-I230 HydrophobicContact CD2-CD1 3.84Å; L220-I230 HydrophobicContact CG-CD1 3.93Å; L220-F238 HydrophobicContact CB-CE1 4.46Å; L220-F238 HydrophobicContact CD1-CE1 4.23Å; L220-F238 HydrophobicContact CD1-CZ 3.91Å; L220-F238 HydrophobicContact CD2-CE1 4.4Å
221	L	96.9	Very high	97	Very high	8 Å²	8	25 Å²	25	4%	0.042	14%	0.135	C	C	.	.	H	α-helix	trans	-73.7	-41.7	176.8	-84.6	69.3	0	0	0	112.6	A217 T218 Q219 S225 F238 L259 K262 W263 I266	A217-L221 WeakPolarHBondContact O-CD1 3.02Å; T218-L221 PolarHBondContact O-N 3.44Å; T218-L221 VanDerWaalsContact O-N 3.17Å; Q219-L221 VanDerWaalsContact C-N 3.25Å; Q219-L221 PolarHBondContact O-N 3.11Å; L221-S225 VanDerWaalsContact O-CB 3.32Å; L221-S225 WeakPolarHBondContact O-CB 3.25Å; L221-F238 HydrophobicContact CD1-CD1 4.45Å; L221-F238 HydrophobicContact CD1-CE1 4.34Å; L221-L259 HydrophobicContact CD1-CB 4.05Å; L221-L259 HydrophobicContact CD1-CD1 4.46Å; L221-L259 HydrophobicContact CD2-CB 4.02Å; L221-L259 HydrophobicContact CD2-CD2 4.2Å; L221-L259 WeakPolarHBondContact CD2-O 3.11Å; L221-K262 HydrophobicContact CD2-CB 3.73Å; L221-K262 HydrophobicContact CD2-CD 3.77Å; L221-K262 HydrophobicContact CD2-CG 3.71Å; L221-W263 HydrophobicContact CD1-CB 4.34Å; L221-W263 HydrophobicContact CD2-CB 4.44Å; L221-W263 HydrophobicContact CG-CB 4.17Å; L221-I266 HydrophobicContact CB-CD1 4.35Å; L221-I266 HydrophobicContact CD2-CD1 4.29Å; L221-I266 HydrophobicContact CG-CD1 4.45Å
222	S	94.8	Very high	97.1	Very high	72 Å²	72	21.8 Å²	21.8	50%	0.503	12%	0.121	S	C	.	.	H	α-helix	trans	-78.4	-41	-176	61.8	0	0	0	0	112.8	T218 Q219	T218-S222 PolarHBondContact O-N 2.99Å; Q219-S222 WeakPolarHBondContact CA-OG 3.3Å; Q219-S222 PolarHBondContact O-N 3.16Å; Q219-S222 PolarHBondContact O-OG 3.41Å
223	N	95.2	Very high	97.2	Very high	57 Å²	57	17.4 Å²	17.4	31%	0.305	10%	0.101	S	C	.	.	H	α-helix	trans	-100.2	-36.6	-170.5	-56.1	-1	0	0	0	111.8	Y192 Q219	Y192-N223 VanDerWaalsContact O-CB 3.25Å; Y192-N223 WeakPolarHBondContact O-CB 3.5Å; Y192-N223 PolarHBondContact O-ND2 3.38Å; Q219-N223 WeakPolarHBondContact O-CA 3.06Å; Q219-N223 VanDerWaalsContact O-CB 3.25Å; Q219-N223 WeakPolarHBondContact O-CB 3.48Å; Q219-N223 PolarHBondContact O-N 2.73Å; Q219-N223 PolarHBondContact OE1-ND2 3.18Å
224	A	94.5	Very high	97.3	Very high	1 Å²	1	17 Å²	17	1%	0.008	10%	0.098	C	C	.	.	S	Bend	trans	-103.5	15.6	-176.4	0	0	0	0	0	114.5	Y192 L220 H226 V227 I230	Y192-A224 HydrophobicContact CD1-CB 4.45Å; Y192-A224 HydrophobicContact CD2-CB 4.47Å; Y192-A224 HydrophobicContact CG-CB 3.97Å; L220-A224 HydrophobicContact CG-CB 4.46Å; L220-A224 CarbonylContact O-C 3.35Å; L220-A224 VanDerWaalsContact O-C 3.3Å; L220-A224 VanDerWaalsContact O-CA 3.32Å; L220-A224 WeakPolarHBondContact O-CA 3.46Å; L220-A224 VanDerWaalsContact O-CB 3.3Å; L220-A224 WeakPolarHBondContact O-CB 3.25Å; L220-A224 PolarHBondContact O-N 3.45Å; L220-A224 VanDerWaalsContact O-N 3.13Å; A224-H226 PolarHBondContact O-N 2.9Å; A224-V227 HydrophobicContact CB-CB 4.21Å; A224-V227 HydrophobicContact CB-CG2 3.68Å; A224-V227 WeakPolarHBondContact O-CB 3.41Å; A224-V227 PolarHBondContact O-N 3.24Å; A224-I230 HydrophobicContact CB-CD1 4.14Å
225	S	91.7	Very high	97.4	Very high	14 Å²	14	13.8 Å²	13.8	10%	0.098	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-19.2	174.5	54.9	0	0	0	0	114	L220 L221 Q267 R272	L220-S225 PolarHBondContact O-N 3.35Å; L221-S225 VanDerWaalsContact O-CB 3.32Å; L221-S225 WeakPolarHBondContact O-CB 3.25Å; S225-Q267 PolarHBondContact O-NE2 2.94Å; S225-Q267 VanDerWaalsContact O-NE2 3.09Å; S225-R272 PolarHBondContact O-NH1 2.68Å
226	H	95.3	Very high	97.4	Very high	86 Å²	86	14 Å²	14	40%	0.398	8%	0.079	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-3.4	176.3	-67.8	-99	0	0	0	114	S169 A224 N228 R272	S169-H226 WeakPolarHBondContact OG-CB 3.45Å; A224-H226 PolarHBondContact O-N 2.9Å; H226-N228 PolarHBondContact O-N 3.46Å; H226-R272 PolarHBondContact CE1-NH2 3.03Å; H226-R272 PolarHBondContact ND1-NH2 2.75Å
227	V	98.3	Very high	97.4	Very high	4 Å²	4	14.1 Å²	14.1	2%	0.024	8%	0.08	C	C	.	.			trans	-73.4	125.1	172.3	178.8	0	0	0	0	108.1	I165 M166 T175 I177 A224 I230	I165-V227 HydrophobicContact CG2-CG2 4.06Å; M166-V227 HydrophobicContact CE-CG2 3.71Å; T175-V227 WeakPolarHBondContact O-CG1 3.39Å; I177-V227 HydrophobicContact CD1-CG1 4.34Å; I177-V227 HydrophobicContact CG1-CG1 4.34Å; A224-V227 HydrophobicContact CB-CB 4.21Å; A224-V227 HydrophobicContact CB-CG2 3.68Å; A224-V227 WeakPolarHBondContact O-CB 3.41Å; A224-V227 PolarHBondContact O-N 3.24Å; V227-I230 HydrophobicContact CB-CD1 4.14Å; V227-I230 HydrophobicContact CB-CG1 4.18Å; V227-I230 HydrophobicContact CG1-CD1 4.17Å; V227-I230 HydrophobicContact CG1-CG1 3.69Å
228	N	98.7	Very high	97.4	Very high	17 Å²	17	14.1 Å²	14.1	9%	0.091	8%	0.08	C	C	.	.	S	Bend	trans	-73.2	-35.1	-172.4	-66.3	97	0	0	0	112.1	S174 T175 H226 D292 Y293 V294 L326	S174-N228 VanDerWaalsContact CA-OD1 3.22Å; S174-N228 WeakPolarHBondContact CA-OD1 3.45Å; S174-N228 WeakPolarHBondContact CB-OD1 3.32Å; S174-N228 PolarHBondContact OG-OD1 3.02Å; T175-N228 PolarHBondContact N-OD1 2.78Å; T175-N228 VanDerWaalsContact N-OD1 3.09Å; T175-N228 WeakPolarHBondContact O-CB 3.16Å; T175-N228 PolarHBondContact O-N 3.02Å; H226-N228 PolarHBondContact O-N 3.46Å; N228-D292 WeakPolarHBondContact CB-O 3.36Å; N228-D292 PolarHBondContact ND2-O 3.47Å; N228-Y293 CarbonylContact O-C 3.56Å; N228-Y293 WeakPolarHBondContact O-CA 3.49Å; N228-V294 PolarHBondContact O-N 2.95Å; N228-L326 HydrophobicContact CB-CD2 3.49Å; N228-L326 VanDerWaalsContact CB-CD2 3.49Å
229	V	98.9	Very high	97.4	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	120.2	-176.1	-179.9	0	0	0	0	109.9	T175 G176 I177 M231 V294 A322 V325 L326	T175-V229 PolarHBondContact O-N 2.88Å; G176-V229 CarbonylContact C-O 3.48Å; G176-V229 WeakPolarHBondContact CA-O 3.34Å; I177-V229 PolarHBondContact N-O 3.1Å; V229-M231 HydrophobicContact CG1-CE 3.56Å; V229-M231 HydrophobicContact CG1-CG 4.05Å; V229-M231 HydrophobicContact CG1-SD 4.36Å; V229-V294 HydrophobicContact CG1-CB 4.38Å; V229-V294 HydrophobicContact CG2-CB 4.45Å; V229-V294 HydrophobicContact CG2-CG2 4.41Å; V229-A322 HydrophobicContact CB-CB 4.32Å; V229-A322 HydrophobicContact CG1-CB 3.74Å; V229-V325 HydrophobicContact CG2-CB 3.72Å; V229-V325 HydrophobicContact CG2-CG1 3.65Å; V229-V325 HydrophobicContact CG2-CG2 4.28Å; V229-L326 HydrophobicContact CB-CD2 4.43Å; V229-L326 HydrophobicContact CG2-CD2 3.93Å; V229-L326 HydrophobicContact CG2-CG 4.14Å
230	I	98.9	Very high	97.2	Very high	3 Å²	3	13 Å²	13	2%	0.015	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	114.2	170.6	-58.5	176.6	0	0	0	107.2	I177 V183 L220 A224 V227 V294 L295 G296	I177-I230 CarbonylContact O-C 3.59Å; I177-I230 VanDerWaalsContact O-CA 3.28Å; I177-I230 WeakPolarHBondContact O-CA 3.48Å; V183-I230 HydrophobicContact CB-CG2 3.99Å; V183-I230 HydrophobicContact CG1-CG2 3.83Å; V183-I230 HydrophobicContact CG2-CG2 4.43Å; L220-I230 HydrophobicContact CD1-CD1 4.12Å; L220-I230 HydrophobicContact CD1-CG2 4.23Å; L220-I230 HydrophobicContact CD2-CD1 3.84Å; L220-I230 HydrophobicContact CG-CD1 3.93Å; A224-I230 HydrophobicContact CB-CD1 4.14Å; V227-I230 HydrophobicContact CB-CD1 4.14Å; V227-I230 HydrophobicContact CB-CG1 4.18Å; V227-I230 HydrophobicContact CG1-CD1 4.17Å; V227-I230 HydrophobicContact CG1-CG1 3.69Å; I230-V294 PolarHBondContact N-O 2.92Å; I230-L295 HydrophobicContact CB-CD1 4.03Å; I230-L295 HydrophobicContact CG2-CD1 3.95Å; I230-L295 CarbonylContact O-C 3.51Å; I230-L295 WeakPolarHBondContact O-CA 3.4Å; I230-G296 PolarHBondContact O-N 3.32Å
231	M	98.9	Very high	97	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	134.4	-179.5	-69.5	-169.7	-66.2	0	0	112	I177 V178 T179 V229 F283 V294 G296 F298 M318 A321 A322	I177-M231 PolarHBondContact O-N 2.87Å; V178-M231 CarbonylContact C-O 3.43Å; V178-M231 VanDerWaalsContact CA-O 3.31Å; V178-M231 WeakPolarHBondContact CA-O 3.17Å; V178-M231 HydrophobicContact CG2-CB 4.4Å; V178-M231 HydrophobicContact CG2-CE 4.08Å; T179-M231 PolarHBondContact N-O 2.88Å; V229-M231 HydrophobicContact CG1-CE 3.56Å; V229-M231 HydrophobicContact CG1-CG 4.05Å; V229-M231 HydrophobicContact CG1-SD 4.36Å; M231-F283 HydrophobicContact SD-CD2 4.34Å; M231-F283 HydrophobicContact SD-CE2 3.91Å; M231-V294 HydrophobicContact CG-CG1 4.09Å; M231-V294 HydrophobicContact SD-CG1 4.1Å; M231-G296 CarbonylContact C-O 3.42Å; M231-G296 VanDerWaalsContact CA-O 3.3Å; M231-G296 WeakPolarHBondContact CA-O 3.34Å; M231-F298 HydrophobicContact CB-CE2 4.1Å; M231-F298 HydrophobicContact CG-CE2 4.14Å; M231-F298 HydrophobicContact SD-CE2 4.12Å; M231-F298 HydrophobicContact SD-CZ 4.26Å; M231-M318 HydrophobicContact CB-CB 4.49Å; M231-M318 HydrophobicContact CB-CG 4.4Å; M231-M318 HydrophobicContact CB-SD 3.82Å; M231-M318 HydrophobicContact CE-CB 3.91Å; M231-M318 HydrophobicContact CE-CG 4.46Å; M231-M318 WeakPolarHBondContact CE-O 3.28Å; M231-M318 HydrophobicContact SD-CB 4.5Å; M231-M318 HydrophobicContact SD-CG 4.42Å; M231-A321 HydrophobicContact CE-CB 4.17Å; M231-A322 HydrophobicContact CE-CB 4.07Å
232	G	98.9	Very high	96.8	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.3	-145	176.2	0	0	0	0	0	111	T179 G296 L297 F298	T179-G232 WeakPolarHBondContact O-CA 3.37Å; G232-G296 PolarHBondContact N-O 3.19Å; G232-L297 CarbonylContact O-C 3.3Å; G232-L297 VanDerWaalsContact O-CA 3.3Å; G232-L297 WeakPolarHBondContact O-CA 3.32Å; G232-F298 PolarHBondContact O-N 3.49Å
233	G	98.7	Very high	96.6	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	-165.8	177.4	0	0	0	0	0	112.9	A181 R182 V183 L297 S301	A181-G233 PolarHBondContact O-N 3.11Å; R182-G233 WeakPolarHBondContact CA-O 3.3Å; V183-G233 PolarHBondContact N-O 2.93Å; G233-L297 WeakPolarHBondContact O-CD2 3.33Å; G233-S301 CarbonylContact C-O 3.3Å; G233-S301 WeakPolarHBondContact CA-O 3.02Å
234	G	98.5	Very high	96.2	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.117	C	C	.	.			trans	93.6	27.3	170.5	0	0	0	0	0	114.2	T236 E237 F238 A299 P300 S301	G234-T236 PolarHBondContact O-N 2.83Å; G234-T236 VanDerWaalsContact O-N 3.15Å; G234-E237 WeakPolarHBondContact O-CB 3.14Å; G234-E237 WeakPolarHBondContact O-CG 3.43Å; G234-E237 PolarHBondContact O-N 2.8Å; G234-F238 WeakPolarHBondContact O-CD2 3.47Å; G234-F238 WeakPolarHBondContact O-CE2 2.98Å; G234-A299 PolarHBondContact N-O 3.24Å; G234-P300 CarbonylContact C-O 3.56Å; G234-P300 WeakPolarHBondContact CA-O 3.44Å; G234-S301 PolarHBondContact N-O 2.95Å
235	A	98.4	Very high	95.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-52.2	-38.5	178.5	0	0	0	0	0	112.7	E237 F238 Y239 I246 F247 L297 A299 P300	A235-E237 PolarHBondContact O-N 3.31Å; A235-E237 VanDerWaalsContact O-N 3.08Å; A235-F238 PolarHBondContact O-N 2.69Å; A235-F238 VanDerWaalsContact O-N 3.1Å; A235-Y239 VanDerWaalsContact C-CE1 3.47Å; A235-Y239 HydrophobicContact CB-CE1 4.29Å; A235-Y239 VanDerWaalsContact O-CD1 3.22Å; A235-Y239 WeakPolarHBondContact O-CD1 3.32Å; A235-Y239 WeakPolarHBondContact O-CE1 3.4Å; A235-I246 HydrophobicContact CB-CG2 4.33Å; A235-F247 HydrophobicContact CB-CD2 3.92Å; A235-F247 HydrophobicContact CB-CE2 3.64Å; A235-L297 HydrophobicContact CB-CB 4.05Å; A235-A299 PolarHBondContact N-O 2.88Å; A235-P300 PolarHBondContact N-O 3.22Å
236	T	97.8	Very high	95.9	Very high	5 Å²	5	24.6 Å²	24.6	3%	0.031	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-63.9	-15.7	-178.1	56.9	0	0	0	0	114.2	G234 F238 M249 G251 K252 P300	G234-T236 PolarHBondContact O-N 2.83Å; G234-T236 VanDerWaalsContact O-N 3.15Å; T236-F238 PolarHBondContact O-N 3.11Å; T236-M249 HydrophobicContact CG2-CB 4.26Å; T236-G251 WeakPolarHBondContact O-CA 3.32Å; T236-K252 PolarHBondContact O-N 3.48Å; T236-K252 WeakPolarHBondContact OG1-CE 3.42Å; T236-P300 WeakPolarHBondContact CB-O 3.39Å; T236-P300 HydrophobicContact CG2-CB 3.77Å; T236-P300 WeakPolarHBondContact CG2-O 3.45Å; T236-P300 PolarHBondContact N-O 2.86Å; T236-P300 PolarHBondContact OG1-O 3.43Å
237	E	98	Very high	95.8	Very high	4 Å²	4	24 Å²	24	2%	0.019	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-76.1	-12.5	177.4	-52.4	-62.8	159	0	0	113	R182 T184 E201 S202 A217 G234 A235 K252 R253	R182-E237 WeakPolarHBondContact CD-OE1 3.28Å; R182-E237 IonicContact NE-OE1 3.67Å; T184-E237 HydrophobicContact CG2-CB 4.09Å; T184-E237 HydrophobicContact CG2-CG 4.48Å; T184-E237 WeakPolarHBondContact OG1-CG 3.36Å; E201-E237 HydrophobicContact CB-CG 4.46Å; S202-E237 VanDerWaalsContact CB-O 3.32Å; S202-E237 WeakPolarHBondContact CB-O 3.15Å; S202-E237 WeakPolarHBondContact CB-OE2 3.47Å; S202-E237 PolarHBondContact OG-OE2 2.79Å; A217-E237 HydrophobicContact CB-CB 4.47Å; A217-E237 WeakPolarHBondContact CB-O 3.44Å; G234-E237 WeakPolarHBondContact O-CB 3.14Å; G234-E237 WeakPolarHBondContact O-CG 3.43Å; G234-E237 PolarHBondContact O-N 2.8Å; A235-E237 PolarHBondContact O-N 3.31Å; A235-E237 VanDerWaalsContact O-N 3.08Å; E237-K252 WeakPolarHBondContact OE1-CD 3.39Å; E237-K252 WeakPolarHBondContact OE1-CE 3.36Å; E237-K252 IonicContact OE1-NZ 3.71Å; E237-K252 PolarHBondContact OE1-NZ 3.14Å; E237-R253 WeakPolarHBondContact O-CD 3.15Å; E237-R253 WeakPolarHBondContact O-CG 3.5Å; E237-R253 PolarHBondContact O-NH1 3.18Å
238	F	98.3	Very high	95.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-104.6	-4.8	-170.6	-66.3	-93.7	0	0	0	115	V183 T184 A217 L220 L221 G234 A235 T236 R253 L259 L260 L297	V183-F238 HydrophobicContact CG2-CE2 3.89Å; V183-F238 HydrophobicContact CG2-CZ 3.8Å; T184-F238 HydrophobicContact CG2-CE2 3.92Å; T184-F238 HydrophobicContact CG2-CZ 3.74Å; A217-F238 HydrophobicContact CB-CD1 3.93Å; A217-F238 HydrophobicContact CB-CE1 3.76Å; A217-F238 HydrophobicContact CB-CG 4.38Å; A217-F238 HydrophobicContact CB-CZ 4.06Å; L220-F238 HydrophobicContact CB-CE1 4.46Å; L220-F238 HydrophobicContact CD1-CE1 4.23Å; L220-F238 HydrophobicContact CD1-CZ 3.91Å; L220-F238 HydrophobicContact CD2-CE1 4.4Å; L221-F238 HydrophobicContact CD1-CD1 4.45Å; L221-F238 HydrophobicContact CD1-CE1 4.34Å; G234-F238 WeakPolarHBondContact O-CD2 3.47Å; G234-F238 WeakPolarHBondContact O-CE2 2.98Å; A235-F238 PolarHBondContact O-N 2.69Å; A235-F238 VanDerWaalsContact O-N 3.1Å; T236-F238 PolarHBondContact O-N 3.11Å; F238-R253 WeakPolarHBondContact O-CD 3.22Å; F238-L259 HydrophobicContact CB-CB 4.23Å; F238-L259 HydrophobicContact CD1-CB 3.96Å; F238-L259 HydrophobicContact CD1-CD1 4.41Å; F238-L259 WeakPolarHBondContact O-CB 3.47Å; F238-L259 PolarHBondContact O-N 2.82Å; F238-L260 HydrophobicContact CB-CD1 4.21Å; F238-L260 HydrophobicContact CB-CD2 3.53Å; F238-L260 HydrophobicContact CB-CG 3.6Å; F238-L260 HydrophobicContact CD1-CD2 3.95Å; F238-L260 HydrophobicContact CD2-CD2 4.31Å; F238-L260 HydrophobicContact CG-CD2 3.67Å; F238-L260 HydrophobicContact CG-CG 4.3Å; F238-L297 HydrophobicContact CD2-CD1 3.84Å; F238-L297 HydrophobicContact CE2-CD1 3.97Å; F238-L297 HydrophobicContact CE2-CD2 4.23Å; F238-L297 HydrophobicContact CG-CD1 4.39Å
239	Y	97.5	Very high	95.4	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	-141.6	166	179.1	56.3	-91	0	0	0	111.9	A235 D243 I246 M249 G251 K252 R253 L260	A235-Y239 VanDerWaalsContact C-CE1 3.47Å; A235-Y239 HydrophobicContact CB-CE1 4.29Å; A235-Y239 VanDerWaalsContact O-CD1 3.22Å; A235-Y239 WeakPolarHBondContact O-CD1 3.32Å; A235-Y239 WeakPolarHBondContact O-CE1 3.4Å; Y239-D243 HydrophobicContact CD2-CB 3.93Å; Y239-D243 VanDerWaalsContact CD2-O 3.25Å; Y239-D243 WeakPolarHBondContact CD2-O 3.45Å; Y239-D243 WeakPolarHBondContact CE2-O 3.43Å; Y239-D243 HydrophobicContact CG-CB 4.49Å; Y239-I246 HydrophobicContact CD1-CD1 4.17Å; Y239-I246 HydrophobicContact CE1-CB 4.1Å; Y239-I246 HydrophobicContact CE1-CD1 4.05Å; Y239-I246 PolarHBondContact OH-O 2.81Å; Y239-M249 VanDerWaalsContact CE2-O 3.24Å; Y239-M249 WeakPolarHBondContact CE2-O 3.4Å; Y239-M249 PolarHBondContact OH-O 2.97Å; Y239-M249 VanDerWaalsContact OH-O 3.08Å; Y239-G251 CarbonylContact O-C 3.59Å; Y239-G251 VanDerWaalsContact O-C 3.29Å; Y239-G251 WeakPolarHBondContact O-CA 3.38Å; Y239-K252 PolarHBondContact O-N 2.98Å; Y239-K252 VanDerWaalsContact O-N 3.13Å; Y239-R253 WeakPolarHBondContact O-CB 3.5Å; Y239-R253 WeakPolarHBondContact O-CG 3.2Å; Y239-R253 PolarHBondContact O-N 2.7Å; Y239-L260 HydrophobicContact CD1-CD1 4.16Å
240	G	95.8	Very high	95.2	Very high	3 Å²	3	41.3 Å²	41.3	3%	0.031	23%	0.23	C	C	.	.			trans	-86.5	169.9	-176.4	0	0	0	0	0	113.9	S242 D243 G251 R253	G240-S242 PolarHBondContact O-N 2.86Å; G240-D243 PolarHBondContact O-N 2.71Å; G240-D243 VanDerWaalsContact O-N 3.1Å; G240-G251 WeakPolarHBondContact O-CA 3.4Å; G240-G251 PolarHBondContact O-N 3.29Å; G240-R253 WeakPolarHBondContact CA-O 3.31Å
241	P	94.1	Very high	95.1	Very high	72 Å²	72	41.5 Å²	41.5	47%	0.468	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-13.5	-176.6	27.6	-36.8	0	0	0	114.6	K250 G251 R253	P241-K250 WeakPolarHBondContact O-CG 3.3Å; P241-G251 WeakPolarHBondContact CA-O 3.34Å; P241-R253 WeakPolarHBondContact CD-O 3.15Å
242	S	92.1	Very high	95	Very high	107 Å²	107	46.1 Å²	46.1	75%	0.748	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-14.1	173.8	53.3	0	0	0	0	113.5	G240	G240-S242 PolarHBondContact O-N 2.86Å
243	D	90.3	Very high	94.8	Very high	27 Å²	27	46.1 Å²	46.1	14%	0.144	25%	0.253	C	S	.	.			trans	-102.4	121	176.6	-170.3	-17.9	0	0	0	108.7	Y239 G240 T245 N258	Y239-D243 HydrophobicContact CD2-CB 3.93Å; Y239-D243 VanDerWaalsContact CD2-O 3.25Å; Y239-D243 WeakPolarHBondContact CD2-O 3.45Å; Y239-D243 WeakPolarHBondContact CE2-O 3.43Å; Y239-D243 HydrophobicContact CG-CB 4.49Å; G240-D243 PolarHBondContact O-N 2.71Å; G240-D243 VanDerWaalsContact O-N 3.1Å; D243-T245 WeakPolarHBondContact OD1-CB 3.36Å; D243-T245 VanDerWaalsContact OD1-CG2 3.32Å; D243-T245 WeakPolarHBondContact OD1-CG2 3.14Å; D243-T245 PolarHBondContact OD1-N 2.73Å; D243-T245 PolarHBondContact OD1-OG1 3.35Å; D243-N258 PolarHBondContact OD2-ND2 2.95Å
244	S	87.6	Confident	94.4	Very high	55 Å²	55	49.9 Å²	49.9	39%	0.385	28%	0.279	S	S	.	.			trans	-125.9	19.3	174.4	64.1	0	0	0	0	111.7	I246 N248	S244-I246 PolarHBondContact O-N 3.42Å; S244-N248 VanDerWaalsContact O-CA 3.3Å; S244-N248 WeakPolarHBondContact O-CA 3.46Å
245	T	87.4	Confident	94.1	Very high	113 Å²	113	52.5 Å²	52.5	69%	0.693	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-23.1	-176.4	57.8	0	0	0	0	112.7	D243	D243-T245 WeakPolarHBondContact OD1-CB 3.36Å; D243-T245 VanDerWaalsContact OD1-CG2 3.32Å; D243-T245 WeakPolarHBondContact OD1-CG2 3.14Å; D243-T245 PolarHBondContact OD1-N 2.73Å; D243-T245 PolarHBondContact OD1-OG1 3.35Å
246	I	90.9	Very high	93.4	Very high	20 Å²	20	57.1 Å²	57.1	10%	0.103	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	126.5	-177.8	-51.5	173	0	0	0	108.8	A235 Y239 S244 N248 M249 L260 H278	A235-I246 HydrophobicContact CB-CG2 4.33Å; Y239-I246 HydrophobicContact CD1-CD1 4.17Å; Y239-I246 HydrophobicContact CE1-CB 4.1Å; Y239-I246 HydrophobicContact CE1-CD1 4.05Å; Y239-I246 PolarHBondContact OH-O 2.81Å; S244-I246 PolarHBondContact O-N 3.42Å; I246-N248 PolarHBondContact O-N 2.98Å; I246-M249 PolarHBondContact O-N 2.92Å; I246-L260 HydrophobicContact CD1-CD1 3.15Å; I246-H278 HydrophobicContact CG2-CB 4.34Å
247	F	93	Very high	93.2	Very high	73 Å²	73	60.8 Å²	60.8	32%	0.32	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	11.2	-176.4	-60	-73.4	0	0	0	116.1	A235 M249 H278 L297 P300	A235-F247 HydrophobicContact CB-CD2 3.92Å; A235-F247 HydrophobicContact CB-CE2 3.64Å; F247-M249 HydrophobicContact CB-CG 4.36Å; F247-M249 PolarHBondContact O-N 3.4Å; F247-H278 WeakPolarHBondContact CE1-O 3.45Å; F247-H278 HydrophobicContact CE2-CB 4.35Å; F247-H278 HydrophobicContact CZ-CB 4.11Å; F247-H278 WeakPolarHBondContact CZ-O 3.43Å; F247-L297 WeakPolarHBondContact CE2-O 3.47Å; F247-L297 WeakPolarHBondContact CZ-O 3.44Å; F247-P300 HydrophobicContact CB-CG 3.73Å; F247-P300 HydrophobicContact CD1-CG 4.24Å; F247-P300 HydrophobicContact CD2-CG 3.93Å; F247-P300 HydrophobicContact CG-CG 3.72Å
248	N	94.5	Very high	93.1	Very high	141 Å²	141	62 Å²	62	75%	0.754	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	32.4	-171.3	-164	32.8	0	0	0	113	S244 I246	S244-N248 VanDerWaalsContact O-CA 3.3Å; S244-N248 WeakPolarHBondContact O-CA 3.46Å; I246-N248 PolarHBondContact O-N 2.98Å
249	M	94.7	Very high	93.1	Very high	92 Å²	92	62 Å²	62	45%	0.453	35%	0.345	S	S	.	.			trans	-122.8	139.3	-178.5	-71.2	-163	72.1	0	0	111.1	T236 Y239 I246 F247 P300	T236-M249 HydrophobicContact CG2-CB 4.26Å; Y239-M249 VanDerWaalsContact CE2-O 3.24Å; Y239-M249 WeakPolarHBondContact CE2-O 3.4Å; Y239-M249 PolarHBondContact OH-O 2.97Å; Y239-M249 VanDerWaalsContact OH-O 3.08Å; I246-M249 PolarHBondContact O-N 2.92Å; F247-M249 HydrophobicContact CB-CG 4.36Å; F247-M249 PolarHBondContact O-N 3.4Å; M249-P300 HydrophobicContact CE-CB 4.33Å; M249-P300 HydrophobicContact CG-CB 4.46Å; M249-P300 HydrophobicContact CG-CG 4.29Å; M249-P300 HydrophobicContact SD-CB 3.34Å; M249-P300 WeakPolarHBondContact SD-CB 3.48Å; M249-P300 HydrophobicContact SD-CG 3.29Å; M249-P300 WeakPolarHBondContact SD-CG 3.15Å
250	K	94.9	Very high	93.1	Very high	153 Å²	153	62 Å²	62	67%	0.665	35%	0.345	S	S	*	.			trans	-65.3	138.2	175.1	-65.1	-174.2	179.9	179.6	0	111.1	P241	P241-K250 WeakPolarHBondContact O-CG 3.3Å
251	G	96.4	Very high	93.1	Very high	7 Å²	7	68 Å²	68	7%	0.072	37%	0.372	C	S	.	.			trans	-75.4	165.7	174.3	0	0	0	0	0	113.5	T236 Y239 G240 P241	T236-G251 WeakPolarHBondContact O-CA 3.32Å; Y239-G251 CarbonylContact O-C 3.59Å; Y239-G251 VanDerWaalsContact O-C 3.29Å; Y239-G251 WeakPolarHBondContact O-CA 3.38Å; G240-G251 WeakPolarHBondContact O-CA 3.4Å; G240-G251 PolarHBondContact O-N 3.29Å; P241-G251 WeakPolarHBondContact CA-O 3.34Å
252	K	96.4	Very high	93.2	Very high	96 Å²	96	69.5 Å²	69.5	42%	0.417	37%	0.371	S	S	.	.			trans	-103.1	-9.1	-175.5	-66.4	175.3	-178.1	-179.1	0	114	T236 E237 Y239 S254	T236-K252 PolarHBondContact O-N 3.48Å; T236-K252 WeakPolarHBondContact OG1-CE 3.42Å; E237-K252 WeakPolarHBondContact OE1-CD 3.39Å; E237-K252 WeakPolarHBondContact OE1-CE 3.36Å; E237-K252 IonicContact OE1-NZ 3.71Å; E237-K252 PolarHBondContact OE1-NZ 3.14Å; Y239-K252 PolarHBondContact O-N 2.98Å; Y239-K252 VanDerWaalsContact O-N 3.13Å; K252-S254 PolarHBondContact O-N 3.49Å
253	R	95.6	Very high	93.5	Very high	1 Å²	1	64.7 Å²	64.7	0%	0.004	34%	0.337	C	S	.	.			trans	-70.4	129.2	-179.6	-61.2	-164.2	67.1	75.4	9.9	111.4	S202 D215 T218 E237 F238 Y239 G240 P241 D255 R257	S202-R253 PolarHBondContact O-NH1 3.43Å; D215-R253 IonicContact OD1-CZ 3.64Å; D215-R253 IonicContact OD1-NH1 3.24Å; D215-R253 PolarHBondContact OD1-NH1 3.28Å; D215-R253 IonicContact OD1-NH2 3.73Å; D215-R253 IonicContact OD2-CZ 3.46Å; D215-R253 IonicContact OD2-NH1 2.84Å; D215-R253 IonicContact OD2-NH2 3.99Å; D215-R253 PolarHBondContact OD2-NH2 2.85Å; T218-R253 PolarHBondContact OG1-NH2 2.9Å; E237-R253 WeakPolarHBondContact O-CD 3.15Å; E237-R253 WeakPolarHBondContact O-CG 3.5Å; E237-R253 PolarHBondContact O-NH1 3.18Å; F238-R253 WeakPolarHBondContact O-CD 3.22Å; Y239-R253 WeakPolarHBondContact O-CB 3.5Å; Y239-R253 WeakPolarHBondContact O-CG 3.2Å; Y239-R253 PolarHBondContact O-N 2.7Å; G240-R253 WeakPolarHBondContact CA-O 3.31Å; P241-R253 WeakPolarHBondContact CD-O 3.15Å; R253-D255 IonicContact CZ-OD1 3.11Å; R253-D255 IonicContact CZ-OD2 3.47Å; R253-D255 IonicContact NE-OD1 3.91Å; R253-D255 PolarHBondContact NE-OD1 3.49Å; R253-D255 IonicContact NE-OD2 3.83Å; R253-D255 IonicContact NH2-OD1 2.71Å; R253-D255 IonicContact NH2-OD2 2.83Å; R253-D255 PolarHBondContact NH2-OD2 3.03Å; R253-R257 WeakPolarHBondContact CD-O 3.36Å
254	S	90.2	Very high	93.9	Very high	78 Å²	78	69 Å²	69	55%	0.545	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-10.1	177.5	58.3	0	0	0	0	114.3	K252	K252-S254 PolarHBondContact O-N 3.49Å
255	D	91.7	Very high	94.3	Very high	56 Å²	56	69.2 Å²	69.2	30%	0.299	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	13.1	-173.4	60.8	11.7	0	0	0	113.9	R253 R257	R253-D255 IonicContact CZ-OD1 3.11Å; R253-D255 IonicContact CZ-OD2 3.47Å; R253-D255 IonicContact NE-OD1 3.91Å; R253-D255 PolarHBondContact NE-OD1 3.49Å; R253-D255 IonicContact NE-OD2 3.83Å; R253-D255 IonicContact NH2-OD1 2.71Å; R253-D255 IonicContact NH2-OD2 2.83Å; R253-D255 PolarHBondContact NH2-OD2 3.03Å; D255-R257 HydrophobicContact CB-CG 4.44Å; D255-R257 VanDerWaalsContact CG-NE 3.29Å; D255-R257 PolarHBondContact O-N 3.45Å; D255-R257 WeakPolarHBondContact OD1-CB 3.37Å; D255-R257 PolarHBondContact OD1-N 3.47Å; D255-R257 IonicContact OD1-NE 2.71Å; D255-R257 IonicContact OD2-CZ 2.79Å; D255-R257 IonicContact OD2-NE 3.27Å; D255-R257 PolarHBondContact OD2-NE 2.92Å; D255-R257 IonicContact OD2-NH2 3.4Å; D255-R257 PolarHBondContact OD2-NH2 2.92Å
256	S	84.7	Confident	94.8	Very high	97 Å²	97	65.9 Å²	65.9	68%	0.678	34%	0.337	S	S	*	.			trans	55.6	11.6	-179.2	-58	0	0	0	0	115.1
257	R	93.3	Very high	95.2	Very high	82 Å²	82	65 Å²	65	31%	0.309	33%	0.332	S	S	.	.			trans	-80.4	138.9	177.5	-63	-170.9	-71.2	158.2	-0.1	110	D215 T218 R253 D255 L259	D215-R257 IonicContact OD2-NH2 2.68Å; T218-R257 PolarHBondContact OG1-NH2 3.34Å; R253-R257 WeakPolarHBondContact CD-O 3.36Å; D255-R257 HydrophobicContact CB-CG 4.44Å; D255-R257 VanDerWaalsContact CG-NE 3.29Å; D255-R257 PolarHBondContact O-N 3.45Å; D255-R257 WeakPolarHBondContact OD1-CB 3.37Å; D255-R257 PolarHBondContact OD1-N 3.47Å; D255-R257 IonicContact OD1-NE 2.71Å; D255-R257 IonicContact OD2-CZ 2.79Å; D255-R257 IonicContact OD2-NE 3.27Å; D255-R257 PolarHBondContact OD2-NE 2.92Å; D255-R257 IonicContact OD2-NH2 3.4Å; D255-R257 PolarHBondContact OD2-NH2 2.92Å; R257-L259 HydrophobicContact CB-CD2 4.06Å
258	N	96.4	Very high	95.4	Very high	28 Å²	28	65.4 Å²	65.4	15%	0.15	34%	0.341	C	S	.	.			trans	-101.3	102.4	161.4	-175.3	-41.4	0	0	0	108.5	D243 L260 H261 K262	D243-N258 PolarHBondContact OD2-ND2 2.95Å; N258-L260 VanDerWaalsContact C-N 3.29Å; N258-L260 WeakPolarHBondContact OD1-CA 3.47Å; N258-L260 WeakPolarHBondContact OD1-CB 3.16Å; N258-L260 PolarHBondContact OD1-N 3.04Å; N258-H261 PolarHBondContact OD1-N 2.65Å; N258-K262 PolarHBondContact O-N 2.95Å
259	L	97.5	Very high	95.6	Very high	1 Å²	1	67.9 Å²	67.9	1%	0.005	35%	0.345	C	S	.	.	H	α-helix	trans	-74.7	-18.7	-178.9	-61.2	-170.7	0	0	0	112.7	A217 L221 F238 R257 K262 W263	A217-L259 HydrophobicContact CB-CD1 3.82Å; L221-L259 HydrophobicContact CD1-CB 4.05Å; L221-L259 HydrophobicContact CD1-CD1 4.46Å; L221-L259 HydrophobicContact CD2-CB 4.02Å; L221-L259 HydrophobicContact CD2-CD2 4.2Å; L221-L259 WeakPolarHBondContact CD2-O 3.11Å; F238-L259 HydrophobicContact CB-CB 4.23Å; F238-L259 HydrophobicContact CD1-CB 3.96Å; F238-L259 HydrophobicContact CD1-CD1 4.41Å; F238-L259 WeakPolarHBondContact O-CB 3.47Å; F238-L259 PolarHBondContact O-N 2.82Å; R257-L259 HydrophobicContact CB-CD2 4.06Å; L259-K262 HydrophobicContact CD2-CD 4.43Å; L259-K262 PolarHBondContact O-N 3.49Å; L259-W263 WeakPolarHBondContact O-CB 3.49Å; L259-W263 PolarHBondContact O-N 2.92Å
260	L	97.5	Very high	95.6	Very high	1 Å²	1	67.4 Å²	67.4	1%	0.005	34%	0.342	C	S	.	.	H	α-helix	trans	-70.7	-43.8	176.1	-56.3	177.4	0	0	0	110.8	F238 Y239 I246 N258 K262 W263 K264 L276 L295 L297	F238-L260 HydrophobicContact CB-CD1 4.21Å; F238-L260 HydrophobicContact CB-CD2 3.53Å; F238-L260 HydrophobicContact CB-CG 3.6Å; F238-L260 HydrophobicContact CD1-CD2 3.95Å; F238-L260 HydrophobicContact CD2-CD2 4.31Å; F238-L260 HydrophobicContact CG-CD2 3.67Å; F238-L260 HydrophobicContact CG-CG 4.3Å; Y239-L260 HydrophobicContact CD1-CD1 4.16Å; I246-L260 HydrophobicContact CD1-CD1 3.15Å; N258-L260 VanDerWaalsContact C-N 3.29Å; N258-L260 WeakPolarHBondContact OD1-CA 3.47Å; N258-L260 WeakPolarHBondContact OD1-CB 3.16Å; N258-L260 PolarHBondContact OD1-N 3.04Å; L260-K262 VanDerWaalsContact C-N 3.28Å; L260-K262 PolarHBondContact O-N 2.75Å; L260-W263 PolarHBondContact O-N 2.8Å; L260-K264 PolarHBondContact O-N 2.8Å; L260-L276 HydrophobicContact CB-CD2 3.9Å; L260-L276 HydrophobicContact CD2-CD1 4.21Å; L260-L295 HydrophobicContact CD2-CD2 4.06Å; L260-L297 HydrophobicContact CD2-CD1 3.53Å
261	H	96.2	Very high	95.8	Very high	127 Å²	127	67.4 Å²	67.4	59%	0.588	35%	0.35	S	S	*	.	H	α-helix	trans	-58.9	-42.7	170.3	-68	171.9	0	0	0	111.4	N258 K264 A265	N258-H261 PolarHBondContact OD1-N 2.65Å; H261-K264 PolarHBondContact O-N 2.77Å; H261-A265 WeakPolarHBondContact O-CB 3.48Å; H261-A265 PolarHBondContact O-N 2.92Å
262	K	97	Very high	95.8	Very high	104 Å²	104	68.9 Å²	68.9	45%	0.452	35%	0.353	S	S	.	.	H	α-helix	trans	-65.4	-41.2	178	-171.1	176.5	178.1	177.4	0	112.3	L221 N258 L259 L260 A265 I266	L221-K262 HydrophobicContact CD2-CB 3.73Å; L221-K262 HydrophobicContact CD2-CD 3.77Å; L221-K262 HydrophobicContact CD2-CG 3.71Å; N258-K262 PolarHBondContact O-N 2.95Å; L259-K262 HydrophobicContact CD2-CD 4.43Å; L259-K262 PolarHBondContact O-N 3.49Å; L260-K262 VanDerWaalsContact C-N 3.28Å; L260-K262 PolarHBondContact O-N 2.75Å; K262-A265 PolarHBondContact O-N 3.29Å; K262-I266 HydrophobicContact CG-CD1 4.19Å; K262-I266 VanDerWaalsContact O-CG1 3.3Å; K262-I266 WeakPolarHBondContact O-CG1 3.22Å; K262-I266 PolarHBondContact O-N 3.1Å
263	W	97.8	Very high	95.9	Very high	6 Å²	6	70.6 Å²	70.6	2%	0.023	36%	0.361	C	S	.	.	H	α-helix	trans	-60.6	-48.4	175.3	-179.4	91.5	0	0	0	110.8	L221 L259 L260 A265 I266 Q267 H274 V275 L276 L295	L221-W263 HydrophobicContact CD1-CB 4.34Å; L221-W263 HydrophobicContact CD2-CB 4.44Å; L221-W263 HydrophobicContact CG-CB 4.17Å; L259-W263 WeakPolarHBondContact O-CB 3.49Å; L259-W263 PolarHBondContact O-N 2.92Å; L260-W263 PolarHBondContact O-N 2.8Å; W263-A265 VanDerWaalsContact C-N 3.31Å; W263-A265 PolarHBondContact O-N 3.48Å; W263-I266 PolarHBondContact O-N 3.42Å; W263-Q267 HydrophobicContact CD2-CG 4.05Å; W263-Q267 HydrophobicContact CE3-CG 4.3Å; W263-Q267 HydrophobicContact CH2-CG 4.08Å; W263-Q267 HydrophobicContact CZ2-CG 3.82Å; W263-Q267 HydrophobicContact CZ3-CG 4.32Å; W263-Q267 WeakPolarHBondContact O-CG 3.44Å; W263-Q267 PolarHBondContact O-N 2.85Å; W263-H274 HydrophobicContact CH2-CB 4.02Å; W263-H274 HydrophobicContact CZ3-CB 4.44Å; W263-H274 AromaticContact CZ3-CD2 3.93Å; W263-V275 VanDerWaalsContact CH2-O 3.31Å; W263-V275 WeakPolarHBondContact CH2-O 3.48Å; W263-L276 HydrophobicContact CZ3-CB 4.12Å; W263-L295 HydrophobicContact CB-CD2 4.4Å; W263-L295 HydrophobicContact CD2-CB 4.1Å; W263-L295 HydrophobicContact CD2-CD2 3.8Å; W263-L295 HydrophobicContact CE3-CB 4.18Å; W263-L295 HydrophobicContact CE3-CD2 4.21Å; W263-L295 HydrophobicContact CG-CD2 3.87Å; W263-L295 HydrophobicContact CH2-CB 3.7Å; W263-L295 HydrophobicContact CZ2-CB 3.58Å; W263-L295 HydrophobicContact CZ3-CB 3.99Å
264	K	97.4	Very high	96	Very high	118 Å²	118	72.5 Å²	72.5	51%	0.513	37%	0.37	S	S	.	.	H	α-helix	trans	-58.1	-43.3	176	-170.5	178	-178	175.9	0	111.8	L260 H261 Q267 T268	L260-K264 PolarHBondContact O-N 2.8Å; H261-K264 PolarHBondContact O-N 2.77Å; K264-Q267 PolarHBondContact O-N 3.39Å; K264-T268 WeakPolarHBondContact O-CB 3.46Å; K264-T268 PolarHBondContact O-N 3.37Å; K264-T268 PolarHBondContact O-OG1 3.4Å
265	A	97.7	Very high	96.4	Very high	59 Å²	59	70.3 Å²	70.3	49%	0.488	35%	0.353	S	S	.	.	H	α-helix	trans	-63.9	-40.6	177.7	0	0	0	0	0	112.6	H261 K262 W263 K269	H261-A265 WeakPolarHBondContact O-CB 3.48Å; H261-A265 PolarHBondContact O-N 2.92Å; K262-A265 PolarHBondContact O-N 3.29Å; W263-A265 VanDerWaalsContact C-N 3.31Å; W263-A265 PolarHBondContact O-N 3.48Å; A265-K269 VanDerWaalsContact O-CB 3.32Å; A265-K269 WeakPolarHBondContact O-CB 3.25Å; A265-K269 PolarHBondContact O-N 3Å
266	I	97.5	Very high	96.7	Very high	44 Å²	44	69.8 Å²	69.8	23%	0.226	35%	0.35	C	S	.	.	H	α-helix	trans	-60.4	-51.3	174.5	-70.5	164	0	0	0	110.3	L221 K262 W263 T268 K269 M270	L221-I266 HydrophobicContact CB-CD1 4.35Å; L221-I266 HydrophobicContact CD2-CD1 4.29Å; L221-I266 HydrophobicContact CG-CD1 4.45Å; K262-I266 HydrophobicContact CG-CD1 4.19Å; K262-I266 VanDerWaalsContact O-CG1 3.3Å; K262-I266 WeakPolarHBondContact O-CG1 3.22Å; K262-I266 PolarHBondContact O-N 3.1Å; W263-I266 PolarHBondContact O-N 3.42Å; I266-T268 VanDerWaalsContact C-N 3.34Å; I266-T268 PolarHBondContact O-N 3.32Å; I266-K269 PolarHBondContact O-N 3.3Å; I266-M270 HydrophobicContact CG2-SD 4.09Å; I266-M270 WeakPolarHBondContact O-CG 3.48Å; I266-M270 PolarHBondContact O-N 2.8Å; I266-M270 VanDerWaalsContact O-N 3.11Å
267	Q	97.8	Very high	97.4	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-65.6	-38	-178.2	-58	-57	-10.9	0	0	112.3	S225 W263 K264 M270 N271 R272 H274	S225-Q267 PolarHBondContact O-NE2 2.94Å; S225-Q267 VanDerWaalsContact O-NE2 3.09Å; W263-Q267 HydrophobicContact CD2-CG 4.05Å; W263-Q267 HydrophobicContact CE3-CG 4.3Å; W263-Q267 HydrophobicContact CH2-CG 4.08Å; W263-Q267 HydrophobicContact CZ2-CG 3.82Å; W263-Q267 HydrophobicContact CZ3-CG 4.32Å; W263-Q267 WeakPolarHBondContact O-CG 3.44Å; W263-Q267 PolarHBondContact O-N 2.85Å; K264-Q267 PolarHBondContact O-N 3.39Å; Q267-M270 PolarHBondContact O-N 3.18Å; Q267-N271 PolarHBondContact O-N 3.06Å; Q267-R272 PolarHBondContact O-N 3.34Å; Q267-R272 VanDerWaalsContact O-N 3.1Å; Q267-H274 HydrophobicContact CB-CB 3.74Å; Q267-H274 WeakPolarHBondContact CB-ND1 3.37Å; Q267-H274 HydrophobicContact CG-CB 4.06Å
268	T	97.9	Very high	97.6	Very high	83 Å²	83	62.9 Å²	62.9	51%	0.509	31%	0.31	S	S	.	.	H	α-helix	trans	-61.8	-47.6	173.9	-57	0	0	0	0	111.4	K264 I266 M270 N271 H274	K264-T268 WeakPolarHBondContact O-CB 3.46Å; K264-T268 PolarHBondContact O-N 3.37Å; K264-T268 PolarHBondContact O-OG1 3.4Å; I266-T268 VanDerWaalsContact C-N 3.34Å; I266-T268 PolarHBondContact O-N 3.32Å; T268-M270 PolarHBondContact O-N 2.93Å; T268-N271 PolarHBondContact O-N 3.05Å; T268-H274 PolarHBondContact N-CE1 2.61Å; T268-H274 PolarHBondContact OG1-CE1 3.42Å; T268-H274 PolarHBondContact OG1-NE2 2.85Å
269	K	97.9	Very high	97.7	Very high	192 Å²	192	64.4 Å²	64.4	84%	0.835	32%	0.321	S	S	*	.	H	α-helix	trans	-60.5	-30.7	178.3	-179.4	176.6	177.4	179.5	0	112.6	A265 I266 N271	A265-K269 VanDerWaalsContact O-CB 3.32Å; A265-K269 WeakPolarHBondContact O-CB 3.25Å; A265-K269 PolarHBondContact O-N 3Å; I266-K269 PolarHBondContact O-N 3.3Å; K269-N271 VanDerWaalsContact C-N 3.28Å
270	M	96.4	Very high	97.7	Very high	82 Å²	82	65.4 Å²	65.4	40%	0.404	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	5.9	176.9	-63.1	-178.1	83.1	0	0	113.5	I266 Q267 T268 R272	I266-M270 HydrophobicContact CG2-SD 4.09Å; I266-M270 WeakPolarHBondContact O-CG 3.48Å; I266-M270 PolarHBondContact O-N 2.8Å; I266-M270 VanDerWaalsContact O-N 3.11Å; Q267-M270 PolarHBondContact O-N 3.18Å; T268-M270 PolarHBondContact O-N 2.93Å; M270-R272 HydrophobicContact CB-CG 4.01Å; M270-R272 PolarHBondContact O-N 2.89Å; M270-R272 VanDerWaalsContact SD-CZ 3.55Å; M270-R272 PolarHBondContact SD-NH1 3.27Å; M270-R272 VanDerWaalsContact SD-NH1 3.38Å
271	N	97.5	Very high	97.8	Very high	153 Å²	153	68.6 Å²	68.6	82%	0.818	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	37.8	-178	-164.5	39.3	0	0	0	113.6	Q267 T268 K269	Q267-N271 PolarHBondContact O-N 3.06Å; T268-N271 PolarHBondContact O-N 3.05Å; K269-N271 VanDerWaalsContact C-N 3.28Å
272	R	97.5	Very high	97.9	Very high	38 Å²	38	65.6 Å²	65.6	14%	0.143	34%	0.335	C	S	.	.			trans	-94.4	140.9	-178.2	-73.2	168.5	171.1	179.8	-3.3	111	S225 H226 Q267 M270 H274 Y293	S225-R272 PolarHBondContact O-NH1 2.68Å; H226-R272 PolarHBondContact CE1-NH2 3.03Å; H226-R272 PolarHBondContact ND1-NH2 2.75Å; Q267-R272 PolarHBondContact O-N 3.34Å; Q267-R272 VanDerWaalsContact O-N 3.1Å; M270-R272 HydrophobicContact CB-CG 4.01Å; M270-R272 PolarHBondContact O-N 2.89Å; M270-R272 VanDerWaalsContact SD-CZ 3.55Å; M270-R272 PolarHBondContact SD-NH1 3.27Å; M270-R272 VanDerWaalsContact SD-NH1 3.38Å; R272-H274 PolarHBondContact O-N 3.08Å; R272-H274 PolarHBondContact O-ND1 3.2Å; R272-Y293 HydrophobicContact CB-CD2 3.69Å; R272-Y293 HydrophobicContact CB-CE2 3.95Å; R272-Y293 HydrophobicContact CG-CD2 3.88Å; R272-Y293 HydrophobicContact CG-CE2 3.59Å; R272-Y293 PolarHBondContact NE-OH 3.24Å; R272-Y293 PolarHBondContact NH2-OH 3.35Å
273	K	98.3	Very high	97.9	Very high	133 Å²	133	61.2 Å²	61.2	58%	0.578	32%	0.316	S	S	*	.			trans	-73.2	105.9	169.7	-63.5	175.6	-177.1	175.3	0	108.7	S290 D292 Y293	K273-S290 WeakPolarHBondContact CD-O 3.19Å; K273-D292 PolarHBondContact O-N 2.89Å; K273-Y293 PolarHBondContact O-N 2.88Å; K273-Y293 VanDerWaalsContact O-N 3.08Å
274	H	98.5	Very high	98	Very high	41 Å²	41	67.7 Å²	67.7	19%	0.19	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	153.2	-171.5	65.3	-81.3	0	0	0	112.6	W263 Q267 T268 R272 Y293	W263-H274 HydrophobicContact CH2-CB 4.02Å; W263-H274 HydrophobicContact CZ3-CB 4.44Å; W263-H274 AromaticContact CZ3-CD2 3.93Å; Q267-H274 HydrophobicContact CB-CB 3.74Å; Q267-H274 WeakPolarHBondContact CB-ND1 3.37Å; Q267-H274 HydrophobicContact CG-CB 4.06Å; T268-H274 PolarHBondContact N-CE1 2.61Å; T268-H274 PolarHBondContact OG1-CE1 3.42Å; T268-H274 PolarHBondContact OG1-NE2 2.85Å; R272-H274 PolarHBondContact O-N 3.08Å; R272-H274 PolarHBondContact O-ND1 3.2Å; H274-Y293 CarbonylContact C-O 3.58Å; H274-Y293 WeakPolarHBondContact CA-O 3.39Å
275	V	98.5	Very high	98	Very high	32 Å²	32	70.6 Å²	70.6	19%	0.194	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	141.3	173.8	-59.2	0	0	0	0	111.2	W263 L277 T286 V291 Y293 V294 L295	W263-V275 VanDerWaalsContact CH2-O 3.31Å; W263-V275 WeakPolarHBondContact CH2-O 3.48Å; V275-L277 HydrophobicContact CB-CD2 4.04Å; V275-L277 HydrophobicContact CB-CG 4.42Å; V275-L277 HydrophobicContact CG2-CD1 4.11Å; V275-L277 HydrophobicContact CG2-CD2 4Å; V275-L277 HydrophobicContact CG2-CG 3.97Å; V275-T286 HydrophobicContact CG2-CG2 4.45Å; V275-V291 HydrophobicContact CB-CG1 4.34Å; V275-V291 HydrophobicContact CG1-CB 4.48Å; V275-V291 HydrophobicContact CG1-CG1 3.94Å; V275-V291 HydrophobicContact CG1-CG2 3.64Å; V275-V291 HydrophobicContact CG2-CG1 3.75Å; V275-V291 HydrophobicContact CG2-CG2 4.5Å; V275-Y293 PolarHBondContact N-O 3.4Å; V275-V294 HydrophobicContact CG2-CB 4.32Å; V275-V294 HydrophobicContact CG2-CG1 4.07Å; V275-V294 HydrophobicContact CG2-CG2 4.02Å; V275-L295 PolarHBondContact O-N 2.83Å
276	L	98.2	Very high	98.1	Very high	45 Å²	45	68.8 Å²	68.8	24%	0.236	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	124.7	168.3	174.5	66.1	0	0	0	107.2	L260 W263 L295	L260-L276 HydrophobicContact CB-CD2 3.9Å; L260-L276 HydrophobicContact CD2-CD1 4.21Å; W263-L276 HydrophobicContact CZ3-CB 4.12Å; L276-L295 CarbonylContact C-O 3.43Å; L276-L295 VanDerWaalsContact CA-O 3.31Å; L276-L295 WeakPolarHBondContact CA-O 3.48Å; L276-L295 HydrophobicContact CD1-CB 4.03Å; L276-L295 HydrophobicContact CD1-CD2 3.87Å; L276-L295 HydrophobicContact CD1-CG 3.8Å; L276-L295 WeakPolarHBondContact CD1-O 3.29Å
277	L	98.5	Very high	98.1	Very high	8 Å²	8	71.3 Å²	71.3	4%	0.042	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	141.5	-173.6	-47.9	173.1	0	0	0	110.5	V275 E282 W288 V294 L295 L297 F298	V275-L277 HydrophobicContact CB-CD2 4.04Å; V275-L277 HydrophobicContact CB-CG 4.42Å; V275-L277 HydrophobicContact CG2-CD1 4.11Å; V275-L277 HydrophobicContact CG2-CD2 4Å; V275-L277 HydrophobicContact CG2-CG 3.97Å; L277-E282 HydrophobicContact CB-CB 4.42Å; L277-E282 HydrophobicContact CD2-CB 3.91Å; L277-W288 HydrophobicContact CD1-CH2 3.71Å; L277-W288 HydrophobicContact CD1-CZ3 4.19Å; L277-V294 HydrophobicContact CD1-CG1 4.2Å; L277-L295 PolarHBondContact N-O 2.72Å; L277-L297 PolarHBondContact O-N 3.33Å; L277-F298 HydrophobicContact CB-CE1 3.82Å; L277-F298 HydrophobicContact CB-CZ 4.21Å; L277-F298 HydrophobicContact CD1-CZ 4.36Å
278	H	98.2	Very high	98.1	Very high	26 Å²	26	72.6 Å²	72.6	12%	0.12	35%	0.354	C	S	.	.			trans	-128	-13.8	178	-67.3	-57.5	0	0	0	113.9	I246 F247 E282 L297	I246-H278 HydrophobicContact CG2-CB 4.34Å; F247-H278 WeakPolarHBondContact CE1-O 3.45Å; F247-H278 HydrophobicContact CE2-CB 4.35Å; F247-H278 HydrophobicContact CZ-CB 4.11Å; F247-H278 WeakPolarHBondContact CZ-O 3.43Å; H278-E282 PolarHBondContact N-OE2 3.17Å; H278-L297 WeakPolarHBondContact CA-O 3.46Å; H278-L297 PolarHBondContact ND1-O 2.79Å; H278-L297 VanDerWaalsContact ND1-O 3.1Å
279	T	97.8	Very high	98	Very high	59 Å²	59	72.9 Å²	72.9	36%	0.362	36%	0.359	S	S	.	.	S	Bend	trans	-128.6	154.3	-175.6	66.8	0	0	0	0	112.2	S281 E282 F283	T279-S281 PolarHBondContact O-N 3.17Å; T279-E282 PolarHBondContact N-OE2 3.1Å; T279-E282 PolarHBondContact O-N 3.46Å; T279-E282 VanDerWaalsContact OG1-CD 3.27Å; T279-E282 WeakPolarHBondContact OG1-CG 3.24Å; T279-E282 PolarHBondContact OG1-N 3.2Å; T279-E282 VanDerWaalsContact OG1-N 3.16Å; T279-E282 PolarHBondContact OG1-OE2 3.18Å; T279-F283 PolarHBondContact O-N 3.34Å
280	N	98	Very high	97.9	Very high	22 Å²	22	66.4 Å²	66.4	12%	0.118	34%	0.338	C	S	.	.	H	α-helix	trans	-65.9	-26.5	173.8	-169.5	22.8	0	0	0	112.6	F283 K284 D311	N280-F283 WeakPolarHBondContact O-CB 3.43Å; N280-F283 PolarHBondContact O-N 3.38Å; N280-K284 WeakPolarHBondContact O-CB 3.25Å; N280-K284 WeakPolarHBondContact O-CG 3.19Å; N280-K284 PolarHBondContact O-N 3.46Å; N280-D311 WeakPolarHBondContact CB-O 3.32Å
281	S	98.3	Very high	98	Very high	69 Å²	69	62.9 Å²	62.9	48%	0.483	32%	0.321	S	S	.	.	H	α-helix	trans	-64.3	-42.3	171.8	-65.3	0	0	0	0	112.2	T279 R285	T279-S281 PolarHBondContact O-N 3.17Å; S281-R285 WeakPolarHBondContact O-CB 3.36Å; S281-R285 VanDerWaalsContact O-CG 3.31Å; S281-R285 WeakPolarHBondContact O-CG 3.36Å; S281-R285 PolarHBondContact O-N 3.42Å; S281-R285 PolarHBondContact O-NE 2.63Å
282	E	98.4	Very high	98	Very high	63 Å²	63	58.3 Å²	58.3	29%	0.294	30%	0.296	S	S	.	.	H	α-helix	trans	-66.6	-42.4	172.9	-67.8	162	144.6	0	0	111.4	L277 H278 T279 K284 R285 T286	L277-E282 HydrophobicContact CB-CB 4.42Å; L277-E282 HydrophobicContact CD2-CB 3.91Å; H278-E282 PolarHBondContact N-OE2 3.17Å; T279-E282 PolarHBondContact N-OE2 3.1Å; T279-E282 PolarHBondContact O-N 3.46Å; T279-E282 VanDerWaalsContact OG1-CD 3.27Å; T279-E282 WeakPolarHBondContact OG1-CG 3.24Å; T279-E282 PolarHBondContact OG1-N 3.2Å; T279-E282 VanDerWaalsContact OG1-N 3.16Å; T279-E282 PolarHBondContact OG1-OE2 3.18Å; E282-K284 PolarHBondContact O-N 3.05Å; E282-R285 PolarHBondContact O-N 2.87Å; E282-T286 PolarHBondContact O-N 2.91Å; E282-T286 VanDerWaalsContact O-N 3.08Å; E282-T286 PolarHBondContact O-OG1 3.37Å
283	F	98.7	Very high	98.1	Very high	12 Å²	12	58 Å²	58	5%	0.053	30%	0.295	C	S	.	.	H	α-helix	trans	-54.6	-52.6	175.3	-179.5	-91.3	0	0	0	111.6	M231 T279 N280 R285 T286 W288 F298 P313 E317 M318 A321	M231-F283 HydrophobicContact SD-CD2 4.34Å; M231-F283 HydrophobicContact SD-CE2 3.91Å; T279-F283 PolarHBondContact O-N 3.34Å; N280-F283 WeakPolarHBondContact O-CB 3.43Å; N280-F283 PolarHBondContact O-N 3.38Å; F283-R285 VanDerWaalsContact C-N 3.34Å; F283-R285 PolarHBondContact O-N 3.43Å; F283-T286 PolarHBondContact O-N 3.48Å; F283-W288 HydrophobicContact CD1-CZ2 4.4Å; F283-W288 AromaticContact CD2-CH2 3.69Å; F283-W288 HydrophobicContact CD2-CH2 3.69Å; F283-W288 AromaticContact CD2-CZ2 3.56Å; F283-W288 HydrophobicContact CD2-CZ2 3.56Å; F283-W288 HydrophobicContact CE1-CZ2 4.35Å; F283-W288 AromaticContact CE2-CH2 3.81Å; F283-W288 HydrophobicContact CE2-CH2 3.81Å; F283-W288 AromaticContact CE2-CZ2 3.52Å; F283-W288 HydrophobicContact CE2-CZ2 3.52Å; F283-W288 HydrophobicContact CG-CH2 4.44Å; F283-W288 HydrophobicContact CG-CZ2 4.01Å; F283-W288 AromaticContact CZ-CZ2 3.93Å; F283-W288 HydrophobicContact CZ-CZ2 3.93Å; F283-W288 VanDerWaalsContact O-CZ2 3.28Å; F283-W288 WeakPolarHBondContact O-CZ2 3.47Å; F283-F298 HydrophobicContact CB-CE1 3.97Å; F283-F298 HydrophobicContact CB-CZ 4.3Å; F283-F298 HydrophobicContact CD2-CE1 4.18Å; F283-F298 HydrophobicContact CD2-CE2 4.32Å; F283-F298 AromaticContact CD2-CZ 3.64Å; F283-F298 HydrophobicContact CD2-CZ 3.64Å; F283-F298 HydrophobicContact CE2-CZ 4.48Å; F283-F298 HydrophobicContact CG-CE1 4.49Å; F283-F298 HydrophobicContact CG-CZ 4.37Å; F283-P313 HydrophobicContact CD1-CB 3.86Å; F283-P313 HydrophobicContact CD2-CB 4.12Å; F283-P313 HydrophobicContact CD2-CG 4.15Å; F283-P313 HydrophobicContact CE1-CB 3.96Å; F283-P313 HydrophobicContact CE2-CB 4.2Å; F283-P313 HydrophobicContact CG-CB 3.96Å; F283-P313 HydrophobicContact CG-CG 4.17Å; F283-P313 HydrophobicContact CZ-CB 4.13Å; F283-E317 HydrophobicContact CE1-CB 3.95Å; F283-E317 HydrophobicContact CZ-CB 4.05Å; F283-E317 WeakPolarHBondContact CZ-O 3.41Å; F283-M318 HydrophobicContact CE2-CG 4.24Å; F283-A321 HydrophobicContact CE2-CB 3.73Å; F283-A321 HydrophobicContact CZ-CB 3.59Å
284	K	98.4	Very high	98.1	Very high	142 Å²	142	51.8 Å²	51.8	62%	0.617	27%	0.268	S	S	*	.	H	α-helix	trans	-65.6	-31.7	-178.7	-72.7	177.4	178.9	179.6	0	113.8	N280 E282	N280-K284 WeakPolarHBondContact O-CB 3.25Å; N280-K284 WeakPolarHBondContact O-CG 3.19Å; N280-K284 PolarHBondContact O-N 3.46Å; E282-K284 PolarHBondContact O-N 3.05Å
285	R	98.1	Very high	98.1	Very high	180 Å²	180	49.8 Å²	49.8	68%	0.679	26%	0.259	S	S	*	.	H	α-helix	trans	-82.3	-13.3	178.2	-70.9	-174.7	-56.7	-114.8	-0.5	113.7	S281 E282 F283 N287	S281-R285 WeakPolarHBondContact O-CB 3.36Å; S281-R285 VanDerWaalsContact O-CG 3.31Å; S281-R285 WeakPolarHBondContact O-CG 3.36Å; S281-R285 PolarHBondContact O-N 3.42Å; S281-R285 PolarHBondContact O-NE 2.63Å; E282-R285 PolarHBondContact O-N 2.87Å; F283-R285 VanDerWaalsContact C-N 3.34Å; F283-R285 PolarHBondContact O-N 3.43Å; R285-N287 PolarHBondContact O-N 3.27Å
286	T	98.6	Very high	98.1	Very high	21 Å²	21	48.3 Å²	48.3	13%	0.129	25%	0.25	C	S	.	.			trans	-70.7	122.4	-175.9	-64.4	0	0	0	0	110.4	V275 E282 F283 W288 V291	V275-T286 HydrophobicContact CG2-CG2 4.45Å; E282-T286 PolarHBondContact O-N 2.91Å; E282-T286 VanDerWaalsContact O-N 3.08Å; E282-T286 PolarHBondContact O-OG1 3.37Å; F283-T286 PolarHBondContact O-N 3.48Å; T286-W288 HydrophobicContact CG2-CD2 3.95Å; T286-W288 HydrophobicContact CG2-CE3 3.57Å; T286-W288 HydrophobicContact CG2-CH2 3.86Å; T286-W288 HydrophobicContact CG2-CZ2 4.21Å; T286-W288 HydrophobicContact CG2-CZ3 3.52Å; T286-W288 PolarHBondContact O-N 3.2Å; T286-W288 VanDerWaalsContact O-N 3.14Å; T286-V291 HydrophobicContact CG2-CG2 4.18Å
287	N	98.1	Very high	98.1	Very high	97 Å²	97	46.1 Å²	46.1	52%	0.519	24%	0.239	S	C	.	.			trans	-77.5	96.3	168.5	-179.4	3.3	0	0	0	109.4	R285 S289 S290	R285-N287 PolarHBondContact O-N 3.27Å; N287-S289 PolarHBondContact O-N 2.85Å; N287-S289 VanDerWaalsContact O-N 3.14Å; N287-S289 WeakPolarHBondContact OD1-CB 3.37Å; N287-S289 PolarHBondContact OD1-N 3.4Å; N287-S290 PolarHBondContact O-N 3.19Å; N287-S290 PolarHBondContact O-OG 2.91Å
288	W	98.1	Very high	98.2	Very high	27 Å²	27	46 Å²	46	10%	0.102	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-58.7	-27.8	-177.4	-56.6	112.6	0	0	0	113.1	L277 F283 T286 S290 V291 V294 A321 K324 V325 R328	L277-W288 HydrophobicContact CD1-CH2 3.71Å; L277-W288 HydrophobicContact CD1-CZ3 4.19Å; F283-W288 HydrophobicContact CD1-CZ2 4.4Å; F283-W288 AromaticContact CD2-CH2 3.69Å; F283-W288 HydrophobicContact CD2-CH2 3.69Å; F283-W288 AromaticContact CD2-CZ2 3.56Å; F283-W288 HydrophobicContact CD2-CZ2 3.56Å; F283-W288 HydrophobicContact CE1-CZ2 4.35Å; F283-W288 AromaticContact CE2-CH2 3.81Å; F283-W288 HydrophobicContact CE2-CH2 3.81Å; F283-W288 AromaticContact CE2-CZ2 3.52Å; F283-W288 HydrophobicContact CE2-CZ2 3.52Å; F283-W288 HydrophobicContact CG-CH2 4.44Å; F283-W288 HydrophobicContact CG-CZ2 4.01Å; F283-W288 AromaticContact CZ-CZ2 3.93Å; F283-W288 HydrophobicContact CZ-CZ2 3.93Å; F283-W288 VanDerWaalsContact O-CZ2 3.28Å; F283-W288 WeakPolarHBondContact O-CZ2 3.47Å; T286-W288 HydrophobicContact CG2-CD2 3.95Å; T286-W288 HydrophobicContact CG2-CE3 3.57Å; T286-W288 HydrophobicContact CG2-CH2 3.86Å; T286-W288 HydrophobicContact CG2-CZ2 4.21Å; T286-W288 HydrophobicContact CG2-CZ3 3.52Å; T286-W288 PolarHBondContact O-N 3.2Å; T286-W288 VanDerWaalsContact O-N 3.14Å; W288-S290 PolarHBondContact O-N 3.39Å; W288-V291 PolarHBondContact O-N 3.48Å; W288-V294 HydrophobicContact CE3-CG2 4.33Å; W288-V294 HydrophobicContact CZ3-CG1 4.09Å; W288-V294 HydrophobicContact CZ3-CG2 3.95Å; W288-A321 HydrophobicContact CD2-CB 3.94Å; W288-A321 HydrophobicContact CE3-CB 4.39Å; W288-A321 HydrophobicContact CG-CB 4.46Å; W288-A321 HydrophobicContact CH2-CB 4.2Å; W288-A321 HydrophobicContact CZ2-CB 3.72Å; W288-K324 HydrophobicContact CB-CB 3.99Å; W288-V325 HydrophobicContact CB-CG2 4.2Å; W288-V325 HydrophobicContact CE3-CG2 3.96Å; W288-R328 PolarHBondContact O-NH1 3.13Å
289	S	95.9	Very high	98.2	Very high	89 Å²	89	44.8 Å²	44.8	62%	0.622	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-68.7	-15.8	178.1	-57.2	0	0	0	0	114.1	N287	N287-S289 PolarHBondContact O-N 2.85Å; N287-S289 VanDerWaalsContact O-N 3.14Å; N287-S289 WeakPolarHBondContact OD1-CB 3.37Å; N287-S289 PolarHBondContact OD1-N 3.4Å
290	S	96	Very high	98.1	Very high	55 Å²	55	43.3 Å²	43.3	39%	0.385	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-109.6	8.4	-177.9	61.9	0	0	0	0	114.4	K273 N287 W288	K273-S290 WeakPolarHBondContact CD-O 3.19Å; N287-S290 PolarHBondContact O-N 3.19Å; N287-S290 PolarHBondContact O-OG 2.91Å; W288-S290 PolarHBondContact O-N 3.39Å
291	V	98.2	Very high	98.2	Very high	9 Å²	9	44.1 Å²	44.1	6%	0.055	23%	0.231	C	C	.	.			trans	-128.9	131.6	-175.4	-178.7	0	0	0	0	110.6	V275 T286 W288 Y293 V294 R328	V275-V291 HydrophobicContact CB-CG1 4.34Å; V275-V291 HydrophobicContact CG1-CB 4.48Å; V275-V291 HydrophobicContact CG1-CG1 3.94Å; V275-V291 HydrophobicContact CG1-CG2 3.64Å; V275-V291 HydrophobicContact CG2-CG1 3.75Å; V275-V291 HydrophobicContact CG2-CG2 4.5Å; T286-V291 HydrophobicContact CG2-CG2 4.18Å; W288-V291 PolarHBondContact O-N 3.48Å; V291-Y293 WeakPolarHBondContact CG1-O 3.4Å; V291-V294 HydrophobicContact CG1-CG2 3.76Å; V291-R328 PolarHBondContact O-NH2 3.38Å
292	D	98.2	Very high	98.2	Very high	56 Å²	56	42.4 Å²	42.4	30%	0.299	22%	0.215	S	C	.	.	S	Bend	trans	-106.5	-21.2	-177.6	-55.8	-44.4	0	0	0	112.9	N228 K273 R328	N228-D292 WeakPolarHBondContact CB-O 3.36Å; N228-D292 PolarHBondContact ND2-O 3.47Å; K273-D292 PolarHBondContact O-N 2.89Å; D292-R328 IonicContact OD1-CZ 3.79Å; D292-R328 IonicContact OD1-NH2 2.65Å; D292-R328 PolarHBondContact OD1-NH2 2.88Å
293	Y	98.6	Very high	98.2	Very high	32 Å²	32	39.6 Å²	39.6	13%	0.125	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	120.6	-179.3	-66.3	-90.1	0	0	0	111.9	N228 R272 K273 H274 V275 V291	N228-Y293 CarbonylContact O-C 3.56Å; N228-Y293 WeakPolarHBondContact O-CA 3.49Å; R272-Y293 HydrophobicContact CB-CD2 3.69Å; R272-Y293 HydrophobicContact CB-CE2 3.95Å; R272-Y293 HydrophobicContact CG-CD2 3.88Å; R272-Y293 HydrophobicContact CG-CE2 3.59Å; R272-Y293 PolarHBondContact NE-OH 3.24Å; R272-Y293 PolarHBondContact NH2-OH 3.35Å; K273-Y293 PolarHBondContact O-N 2.88Å; K273-Y293 VanDerWaalsContact O-N 3.08Å; H274-Y293 CarbonylContact C-O 3.58Å; H274-Y293 WeakPolarHBondContact CA-O 3.39Å; V275-Y293 PolarHBondContact N-O 3.4Å; V291-Y293 WeakPolarHBondContact CG1-O 3.4Å
294	V	98.8	Very high	98.1	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.012	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	126.8	-176.1	-177.4	0	0	0	0	109.4	N228 V229 I230 M231 V275 L277 W288 V291 V325	N228-V294 PolarHBondContact O-N 2.95Å; V229-V294 HydrophobicContact CG1-CB 4.38Å; V229-V294 HydrophobicContact CG2-CB 4.45Å; V229-V294 HydrophobicContact CG2-CG2 4.41Å; I230-V294 PolarHBondContact N-O 2.92Å; M231-V294 HydrophobicContact CG-CG1 4.09Å; M231-V294 HydrophobicContact SD-CG1 4.1Å; V275-V294 HydrophobicContact CG2-CB 4.32Å; V275-V294 HydrophobicContact CG2-CG1 4.07Å; V275-V294 HydrophobicContact CG2-CG2 4.02Å; L277-V294 HydrophobicContact CD1-CG1 4.2Å; W288-V294 HydrophobicContact CE3-CG2 4.33Å; W288-V294 HydrophobicContact CZ3-CG1 4.09Å; W288-V294 HydrophobicContact CZ3-CG2 3.95Å; V291-V294 HydrophobicContact CG1-CG2 3.76Å; V294-V325 HydrophobicContact CG2-CG2 4.26Å
295	L	98.8	Very high	98	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	104.8	161	180	57.1	0	0	0	108.5	I230 L260 W263 V275 L276 L277 L297	I230-L295 HydrophobicContact CB-CD1 4.03Å; I230-L295 HydrophobicContact CG2-CD1 3.95Å; I230-L295 CarbonylContact O-C 3.51Å; I230-L295 WeakPolarHBondContact O-CA 3.4Å; L260-L295 HydrophobicContact CD2-CD2 4.06Å; W263-L295 HydrophobicContact CB-CD2 4.4Å; W263-L295 HydrophobicContact CD2-CB 4.1Å; W263-L295 HydrophobicContact CD2-CD2 3.8Å; W263-L295 HydrophobicContact CE3-CB 4.18Å; W263-L295 HydrophobicContact CE3-CD2 4.21Å; W263-L295 HydrophobicContact CG-CD2 3.87Å; W263-L295 HydrophobicContact CH2-CB 3.7Å; W263-L295 HydrophobicContact CZ2-CB 3.58Å; W263-L295 HydrophobicContact CZ3-CB 3.99Å; V275-L295 PolarHBondContact O-N 2.83Å; L276-L295 CarbonylContact C-O 3.43Å; L276-L295 VanDerWaalsContact CA-O 3.31Å; L276-L295 WeakPolarHBondContact CA-O 3.48Å; L276-L295 HydrophobicContact CD1-CB 4.03Å; L276-L295 HydrophobicContact CD1-CD2 3.87Å; L276-L295 HydrophobicContact CD1-CG 3.8Å; L276-L295 WeakPolarHBondContact CD1-O 3.29Å; L277-L295 PolarHBondContact N-O 2.72Å; L295-L297 HydrophobicContact CD1-CD1 4.26Å; L295-L297 HydrophobicContact CD1-CD2 4.14Å; L295-L297 HydrophobicContact CD1-CG 4.06Å; L295-L297 HydrophobicContact CD2-CD1 4.33Å; L295-L297 HydrophobicContact CG-CD1 4.18Å; L295-L297 HydrophobicContact CG-CG 4.21Å
296	G	98.8	Very high	97.7	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	116	177.2	0	0	0	0	0	111	I230 M231 G232	I230-G296 PolarHBondContact O-N 3.32Å; M231-G296 CarbonylContact C-O 3.42Å; M231-G296 VanDerWaalsContact CA-O 3.3Å; M231-G296 WeakPolarHBondContact CA-O 3.34Å; G232-G296 PolarHBondContact N-O 3.19Å
297	L	98.8	Very high	97.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	84.6	179.9	-61.8	172.1	0	0	0	108.7	V183 G232 G233 A235 F238 F247 L260 L277 H278 L295 A299	V183-L297 HydrophobicContact CB-CD2 4.46Å; V183-L297 HydrophobicContact CG1-CD2 4.01Å; V183-L297 HydrophobicContact CG2-CD2 3.58Å; G232-L297 CarbonylContact O-C 3.3Å; G232-L297 VanDerWaalsContact O-CA 3.3Å; G232-L297 WeakPolarHBondContact O-CA 3.32Å; G233-L297 WeakPolarHBondContact O-CD2 3.33Å; A235-L297 HydrophobicContact CB-CB 4.05Å; F238-L297 HydrophobicContact CD2-CD1 3.84Å; F238-L297 HydrophobicContact CE2-CD1 3.97Å; F238-L297 HydrophobicContact CE2-CD2 4.23Å; F238-L297 HydrophobicContact CG-CD1 4.39Å; F247-L297 WeakPolarHBondContact CE2-O 3.47Å; F247-L297 WeakPolarHBondContact CZ-O 3.44Å; L260-L297 HydrophobicContact CD2-CD1 3.53Å; L277-L297 PolarHBondContact O-N 3.33Å; H278-L297 WeakPolarHBondContact CA-O 3.46Å; H278-L297 PolarHBondContact ND1-O 2.79Å; H278-L297 VanDerWaalsContact ND1-O 3.1Å; L295-L297 HydrophobicContact CD1-CD1 4.26Å; L295-L297 HydrophobicContact CD1-CD2 4.14Å; L295-L297 HydrophobicContact CD1-CG 4.06Å; L295-L297 HydrophobicContact CD2-CD1 4.33Å; L295-L297 HydrophobicContact CG-CD1 4.18Å; L295-L297 HydrophobicContact CG-CG 4.21Å; L297-A299 VanDerWaalsContact C-N 3.31Å; L297-A299 PolarHBondContact O-N 3.24Å
298	F	98.7	Very high	97	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.018	21%	0.209	C	C	.	.			trans	-87.5	5.4	-167.2	-54	-68.3	0	0	0	114.6	M231 G232 L277 F283 Q312 P313 M318	M231-F298 HydrophobicContact CB-CE2 4.1Å; M231-F298 HydrophobicContact CG-CE2 4.14Å; M231-F298 HydrophobicContact SD-CE2 4.12Å; M231-F298 HydrophobicContact SD-CZ 4.26Å; G232-F298 PolarHBondContact O-N 3.49Å; L277-F298 HydrophobicContact CB-CE1 3.82Å; L277-F298 HydrophobicContact CB-CZ 4.21Å; L277-F298 HydrophobicContact CD1-CZ 4.36Å; F283-F298 HydrophobicContact CB-CE1 3.97Å; F283-F298 HydrophobicContact CB-CZ 4.3Å; F283-F298 HydrophobicContact CD2-CE1 4.18Å; F283-F298 HydrophobicContact CD2-CE2 4.32Å; F283-F298 AromaticContact CD2-CZ 3.64Å; F283-F298 HydrophobicContact CD2-CZ 3.64Å; F283-F298 HydrophobicContact CE2-CZ 4.48Å; F283-F298 HydrophobicContact CG-CE1 4.49Å; F283-F298 HydrophobicContact CG-CZ 4.37Å; F298-Q312 PolarHBondContact O-NE2 2.85Å; F298-P313 HydrophobicContact CB-CG 4.25Å; F298-P313 HydrophobicContact CD1-CG 3.86Å; F298-P313 HydrophobicContact CD2-CG 3.46Å; F298-P313 VanDerWaalsContact CD2-CG 3.46Å; F298-P313 HydrophobicContact CE1-CG 4.05Å; F298-P313 HydrophobicContact CE2-CG 3.66Å; F298-P313 HydrophobicContact CG-CG 3.57Å; F298-P313 HydrophobicContact CZ-CG 3.97Å; F298-M318 HydrophobicContact CD2-SD 3.67Å; F298-M318 HydrophobicContact CE2-CG 4.21Å; F298-M318 HydrophobicContact CE2-SD 3.68Å
299	A	98.2	Very high	96.7	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.008	21%	0.209	C	C	.	.	S	Bend	trans	-150.6	150.9	175.8	0	0	0	0	0	111.1	G234 A235 L297 S301 H302 L303	G234-A299 PolarHBondContact N-O 3.24Å; A235-A299 PolarHBondContact N-O 2.88Å; L297-A299 VanDerWaalsContact C-N 3.31Å; L297-A299 PolarHBondContact O-N 3.24Å; A299-S301 WeakPolarHBondContact CB-O 3Å; A299-S301 PolarHBondContact O-N 3.39Å; A299-H302 WeakPolarHBondContact CB-O 3.22Å; A299-L303 HydrophobicContact CB-CD1 4.27Å
300	P	97.6	Very high	96.5	Very high	28 Å²	28	43 Å²	43	18%	0.182	22%	0.216	C	C	.	.	S	Bend	trans	-56.5	-39.3	172	-23	30.9	0	0	0	113	G234 A235 T236 F247 M249	G234-P300 CarbonylContact C-O 3.56Å; G234-P300 WeakPolarHBondContact CA-O 3.44Å; A235-P300 PolarHBondContact N-O 3.22Å; T236-P300 WeakPolarHBondContact CB-O 3.39Å; T236-P300 HydrophobicContact CG2-CB 3.77Å; T236-P300 WeakPolarHBondContact CG2-O 3.45Å; T236-P300 PolarHBondContact N-O 2.86Å; T236-P300 PolarHBondContact OG1-O 3.43Å; F247-P300 HydrophobicContact CB-CG 3.73Å; F247-P300 HydrophobicContact CD1-CG 4.24Å; F247-P300 HydrophobicContact CD2-CG 3.93Å; F247-P300 HydrophobicContact CG-CG 3.72Å; M249-P300 HydrophobicContact CE-CB 4.33Å; M249-P300 HydrophobicContact CG-CB 4.46Å; M249-P300 HydrophobicContact CG-CG 4.29Å; M249-P300 HydrophobicContact SD-CB 3.34Å; M249-P300 WeakPolarHBondContact SD-CB 3.48Å; M249-P300 HydrophobicContact SD-CG 3.29Å; M249-P300 WeakPolarHBondContact SD-CG 3.15Å
301	S	98	Very high	96.4	Very high	39 Å²	39	45.6 Å²	45.6	27%	0.273	23%	0.226	S	C	.	.	S	Bend	trans	-125.7	-138.7	177.3	-170.5	0	0	0	0	108.6	R182 G233 G234 A299	R182-S301 PolarHBondContact NH1-OG 3.01Å; R182-S301 VanDerWaalsContact NH1-OG 3.08Å; G233-S301 CarbonylContact C-O 3.3Å; G233-S301 WeakPolarHBondContact CA-O 3.02Å; G234-S301 PolarHBondContact N-O 2.95Å; A299-S301 WeakPolarHBondContact CB-O 3Å; A299-S301 PolarHBondContact O-N 3.39Å
302	H	98.3	Very high	96.4	Very high	33 Å²	33	46.5 Å²	46.5	15%	0.153	23%	0.23	C	C	.	.	S	Bend	trans	-60.4	155.6	172.8	-46.3	-75.9	0	0	0	111.9	A181 R182 A299 R341 H344	A181-H302 WeakPolarHBondContact CA-ND1 3.39Å; R182-H302 VanDerWaalsContact CZ-CE1 3.49Å; R182-H302 PolarHBondContact N-ND1 2.94Å; R182-H302 VanDerWaalsContact N-ND1 3.2Å; R182-H302 PolarHBondContact NH1-CE1 3.42Å; R182-H302 PolarHBondContact NH1-NE2 2.98Å; A299-H302 WeakPolarHBondContact CB-O 3.22Å; H302-R341 PolarHBondContact CD2-NH1 3.31Å; H302-H344 AromaticContact CE1-CE1 3.62Å; H302-H344 AromaticContact CE1-NE2 3.67Å; H302-H344 AromaticContact ND1-CE1 3.75Å; H302-H344 AromaticContact NE2-CE1 3.94Å; H302-H344 AromaticContact NE2-NE2 3.67Å
303	L	98.5	Very high	96.4	Very high	4 Å²	4	43.9 Å²	43.9	2%	0.021	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-64.7	155.2	167.8	-84.7	66.6	0	0	0	109.7	T180 A299 Q312 M318 R341	T180-L303 WeakPolarHBondContact O-CB 3.41Å; T180-L303 PolarHBondContact O-N 3.4Å; A299-L303 HydrophobicContact CB-CD1 4.27Å; L303-Q312 VanDerWaalsContact CA-OE1 3.29Å; L303-Q312 HydrophobicContact CD2-CB 4.48Å; L303-M318 HydrophobicContact CD2-CE 3.52Å; L303-M318 HydrophobicContact CD2-SD 4.31Å; L303-R341 WeakPolarHBondContact O-CD 3.21Å
304	A	97.4	Very high	96.4	Very high	34 Å²	34	42.9 Å²	42.9	28%	0.281	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-60.5	154.4	172.9	0	0	0	0	0	111.1	N309	A304-N309 HydrophobicContact CB-CB 4Å
305	Y	95.8	Very high	96.4	Very high	32 Å²	32	45.1 Å²	45.1	13%	0.125	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-56.9	146.8	169.4	-72	-73.7	0	0	0	110.3	L307 E308 N309 R341 H344 G345 E348	Y305-L307 PolarHBondContact O-N 3.3Å; Y305-L307 VanDerWaalsContact O-N 3.08Å; Y305-E308 CarbonylContact O-C 3.52Å; Y305-E308 PolarHBondContact O-N 2.7Å; Y305-N309 WeakPolarHBondContact O-CB 3.47Å; Y305-N309 PolarHBondContact O-N 3.1Å; Y305-R341 HydrophobicContact CD1-CB 3.82Å; Y305-R341 HydrophobicContact CD1-CG 4.47Å; Y305-R341 HydrophobicContact CE1-CB 3.86Å; Y305-R341 WeakPolarHBondContact CE1-O 3.43Å; Y305-R341 PolarHBondContact OH-NH2 3.36Å; Y305-R341 VanDerWaalsContact OH-NH2 3.1Å; Y305-H344 VanDerWaalsContact OH-C 3.28Å; Y305-H344 WeakPolarHBondContact OH-CB 3.32Å; Y305-G345 PolarHBondContact OH-N 3.37Å; Y305-E348 WeakPolarHBondContact CE2-OE2 3.1Å; Y305-E348 PolarHBondContact OH-OE1 3.07Å; Y305-E348 PolarHBondContact OH-OE2 3.48Å
306	R	92	Very high	96.4	Very high	171 Å²	171	48.5 Å²	48.5	65%	0.645	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-35.8	-174.1	176.5	60.3	-167.3	116.3	-11.3	113.2
307	L	89.3	Confident	96.3	Very high	125 Å²	125	51.7 Å²	51.7	65%	0.654	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-23.6	179.8	-61	177.6	0	0	0	113.2	Y305	Y305-L307 PolarHBondContact O-N 3.3Å; Y305-L307 VanDerWaalsContact O-N 3.08Å
308	E	92.8	Very high	96.4	Very high	91 Å²	91	51.7 Å²	51.7	43%	0.425	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	-18.5	-178.6	-63.4	172	-175.4	0	0	112.1	Y305 Q310 R350	Y305-E308 CarbonylContact O-C 3.52Å; Y305-E308 PolarHBondContact O-N 2.7Å; E308-Q310 PolarHBondContact O-N 2.76Å; E308-R350 IonicContact OE1-CZ 3.78Å; E308-R350 IonicContact OE1-NH1 3.2Å; E308-R350 PolarHBondContact OE1-NH1 3.15Å; E308-R350 IonicContact OE1-NH2 3.29Å; E308-R350 PolarHBondContact OE1-NH2 3.49Å
309	N	92.6	Very high	96.4	Very high	19 Å²	19	52.1 Å²	52.1	10%	0.102	27%	0.271	C	S	.	.			trans	-67.7	117.6	-175.6	-179.7	14.9	0	0	0	112	A304 Y305 D311 Q312	A304-N309 HydrophobicContact CB-CB 4Å; Y305-N309 WeakPolarHBondContact O-CB 3.47Å; Y305-N309 PolarHBondContact O-N 3.1Å; N309-D311 PolarHBondContact OD1-N 3.08Å; N309-Q312 PolarHBondContact ND2-O 2.7Å; N309-Q312 WeakPolarHBondContact OD1-CA 3.43Å; N309-Q312 VanDerWaalsContact OD1-CB 3.29Å; N309-Q312 WeakPolarHBondContact OD1-CB 3.13Å; N309-Q312 PolarHBondContact OD1-N 3.08Å; N309-Q312 PolarHBondContact OD1-O 3.06Å
310	Q	91.1	Very high	96.4	Very high	167 Å²	167	57.1 Å²	57.1	78%	0.78	29%	0.294	S	S	*	.	S	Bend	trans	-104.9	-34.5	178.7	-60.7	-58.5	-39.5	0	0	113.2	E308	E308-Q310 PolarHBondContact O-N 2.76Å
311	D	94.5	Very high	96.4	Very high	111 Å²	111	55.9 Å²	55.9	59%	0.594	29%	0.286	S	S	*	.	S	Bend	trans	-135.2	4.8	-162	72	-30.1	0	0	0	114.4	N280 N309	N280-D311 WeakPolarHBondContact CB-O 3.32Å; N309-D311 PolarHBondContact OD1-N 3.08Å
312	Q	98	Very high	96.5	Very high	28 Å²	28	54 Å²	54	13%	0.131	27%	0.273	C	S	.	.	S	Bend	trans	-106	146.4	176.9	-55.2	167.8	-12.4	0	0	110.1	F298 L303 N309 S314	F298-Q312 PolarHBondContact O-NE2 2.85Å; L303-Q312 VanDerWaalsContact CA-OE1 3.29Å; L303-Q312 HydrophobicContact CD2-CB 4.48Å; N309-Q312 PolarHBondContact ND2-O 2.7Å; N309-Q312 WeakPolarHBondContact OD1-CA 3.43Å; N309-Q312 VanDerWaalsContact OD1-CB 3.29Å; N309-Q312 WeakPolarHBondContact OD1-CB 3.13Å; N309-Q312 PolarHBondContact OD1-N 3.08Å; N309-Q312 PolarHBondContact OD1-O 3.06Å; Q312-S314 PolarHBondContact O-N 3.4Å
313	P	98.5	Very high	96.5	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.28	C	S	.	.			trans	-61.4	136.6	172.9	28.7	-34.7	0	0	0	110	F283 F298 E317 M318	F283-P313 HydrophobicContact CD1-CB 3.86Å; F283-P313 HydrophobicContact CD2-CB 4.12Å; F283-P313 HydrophobicContact CD2-CG 4.15Å; F283-P313 HydrophobicContact CE1-CB 3.96Å; F283-P313 HydrophobicContact CE2-CB 4.2Å; F283-P313 HydrophobicContact CG-CB 3.96Å; F283-P313 HydrophobicContact CG-CG 4.17Å; F283-P313 HydrophobicContact CZ-CB 4.13Å; F298-P313 HydrophobicContact CB-CG 4.25Å; F298-P313 HydrophobicContact CD1-CG 3.86Å; F298-P313 HydrophobicContact CD2-CG 3.46Å; F298-P313 VanDerWaalsContact CD2-CG 3.46Å; F298-P313 HydrophobicContact CE1-CG 4.05Å; F298-P313 HydrophobicContact CE2-CG 3.66Å; F298-P313 HydrophobicContact CG-CG 3.57Å; F298-P313 HydrophobicContact CZ-CG 3.97Å; P313-E317 HydrophobicContact CB-CB 4.41Å; P313-M318 HydrophobicContact CB-CG 3.9Å; P313-M318 HydrophobicContact CG-CG 3.87Å; P313-M318 HydrophobicContact CG-SD 4.16Å
314	S	98.1	Very high	96.5	Very high	12 Å²	12	59.4 Å²	59.4	8%	0.084	30%	0.298	C	S	.	.			trans	-68.2	161.5	176.5	65	0	0	0	0	111.6	Q312 A316 E317 M318	Q312-S314 PolarHBondContact O-N 3.4Å; S314-A316 PolarHBondContact O-N 3.41Å; S314-E317 VanDerWaalsContact CB-OE2 3.3Å; S314-E317 WeakPolarHBondContact CB-OE2 3.48Å; S314-E317 PolarHBondContact N-OE2 2.7Å; S314-E317 PolarHBondContact O-N 2.86Å; S314-E317 WeakPolarHBondContact OG-CG 3.49Å; S314-E317 PolarHBondContact OG-N 3.2Å; S314-E317 PolarHBondContact OG-OE2 3.28Å; S314-M318 WeakPolarHBondContact O-CG 3.27Å; S314-M318 PolarHBondContact O-N 2.68Å
315	L	98.4	Very high	96.6	Very high	48 Å²	48	58.1 Å²	58.1	25%	0.251	29%	0.287	S	S	.	.	H	α-helix	trans	-53.6	-42.2	173.7	-175.7	58.3	0	0	0	111.4	V178 T180 M318 T319 V337	V178-L315 HydrophobicContact CG1-CD1 3.74Å; T180-L315 HydrophobicContact CG2-CB 3.9Å; T180-L315 HydrophobicContact CG2-CD1 4.14Å; T180-L315 HydrophobicContact CG2-CD2 4.31Å; T180-L315 HydrophobicContact CG2-CG 4.35Å; L315-M318 PolarHBondContact O-N 3.04Å; L315-T319 WeakPolarHBondContact O-CB 3.15Å; L315-T319 PolarHBondContact O-N 3.41Å; L315-T319 PolarHBondContact O-OG1 2.62Å; L315-V337 HydrophobicContact CD1-CG1 3.61Å; L315-V337 HydrophobicContact CD2-CG1 4.22Å; L315-V337 HydrophobicContact CG-CG1 3.96Å
316	A	98.1	Very high	96.7	Very high	72 Å²	72	56.6 Å²	56.6	60%	0.595	28%	0.281	S	S	*	.	H	α-helix	trans	-63.3	-47	178.2	0	0	0	0	0	112.3	S314 T319 E320	S314-A316 PolarHBondContact O-N 3.41Å; A316-T319 PolarHBondContact O-N 2.79Å; A316-E320 WeakPolarHBondContact O-CB 3.34Å; A316-E320 PolarHBondContact O-N 3.3Å
317	E	98.6	Very high	97	Very high	67 Å²	67	51.5 Å²	51.5	31%	0.313	27%	0.271	S	S	.	.	H	α-helix	trans	-61.3	-46.4	177.1	-74.6	164	126.4	0	0	111.2	F283 P313 S314 T319 E320 A321	F283-E317 HydrophobicContact CE1-CB 3.95Å; F283-E317 HydrophobicContact CZ-CB 4.05Å; F283-E317 WeakPolarHBondContact CZ-O 3.41Å; P313-E317 HydrophobicContact CB-CB 4.41Å; S314-E317 VanDerWaalsContact CB-OE2 3.3Å; S314-E317 WeakPolarHBondContact CB-OE2 3.48Å; S314-E317 PolarHBondContact N-OE2 2.7Å; S314-E317 PolarHBondContact O-N 2.86Å; S314-E317 WeakPolarHBondContact OG-CG 3.49Å; S314-E317 PolarHBondContact OG-N 3.2Å; S314-E317 PolarHBondContact OG-OE2 3.28Å; E317-T319 VanDerWaalsContact C-N 3.35Å; E317-T319 PolarHBondContact O-N 3.45Å; E317-E320 PolarHBondContact O-N 2.93Å; E317-A321 WeakPolarHBondContact O-CB 3.4Å; E317-A321 PolarHBondContact O-N 3.32Å
318	M	98.8	Very high	97.4	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.3	-42.4	176.5	-70.2	-167.9	-68.5	0	0	111.7	V178 M231 F283 F298 L303 P313 S314 L315 A321 A322	V178-M318 HydrophobicContact CG1-CB 3.5Å; V178-M318 VanDerWaalsContact CG1-CB 3.5Å; V178-M318 HydrophobicContact CG1-CE 4.17Å; V178-M318 HydrophobicContact CG1-SD 4.44Å; M231-M318 HydrophobicContact CB-CB 4.49Å; M231-M318 HydrophobicContact CB-CG 4.4Å; M231-M318 HydrophobicContact CB-SD 3.82Å; M231-M318 HydrophobicContact CE-CB 3.91Å; M231-M318 HydrophobicContact CE-CG 4.46Å; M231-M318 WeakPolarHBondContact CE-O 3.28Å; M231-M318 HydrophobicContact SD-CB 4.5Å; M231-M318 HydrophobicContact SD-CG 4.42Å; F283-M318 HydrophobicContact CE2-CG 4.24Å; F298-M318 HydrophobicContact CD2-SD 3.67Å; F298-M318 HydrophobicContact CE2-CG 4.21Å; F298-M318 HydrophobicContact CE2-SD 3.68Å; L303-M318 HydrophobicContact CD2-CE 3.52Å; L303-M318 HydrophobicContact CD2-SD 4.31Å; P313-M318 HydrophobicContact CB-CG 3.9Å; P313-M318 HydrophobicContact CG-CG 3.87Å; P313-M318 HydrophobicContact CG-SD 4.16Å; S314-M318 WeakPolarHBondContact O-CG 3.27Å; S314-M318 PolarHBondContact O-N 2.68Å; L315-M318 PolarHBondContact O-N 3.04Å; M318-A321 PolarHBondContact O-N 2.86Å; M318-A322 WeakPolarHBondContact O-CB 3.18Å; M318-A322 PolarHBondContact O-N 3.4Å
319	T	98.9	Very high	97.7	Very high	13 Å²	13	47 Å²	47	8%	0.08	25%	0.245	C	C	.	.	H	α-helix	trans	-62.3	-43.9	175.8	-64.5	0	0	0	0	111.8	F70 L315 A316 E317 A322 I323 L335 V337	F70-T319 HydrophobicContact CE1-CG2 4.38Å; F70-T319 HydrophobicContact CZ-CG2 4.4Å; L315-T319 WeakPolarHBondContact O-CB 3.15Å; L315-T319 PolarHBondContact O-N 3.41Å; L315-T319 PolarHBondContact O-OG1 2.62Å; A316-T319 PolarHBondContact O-N 2.79Å; E317-T319 VanDerWaalsContact C-N 3.35Å; E317-T319 PolarHBondContact O-N 3.45Å; T319-A322 WeakPolarHBondContact O-CB 3.04Å; T319-A322 PolarHBondContact O-N 3.3Å; T319-I323 HydrophobicContact CG2-CD1 3.97Å; T319-I323 WeakPolarHBondContact O-CG1 3.11Å; T319-I323 PolarHBondContact O-N 3.28Å; T319-L335 HydrophobicContact CG2-CD2 4.24Å; T319-V337 HydrophobicContact CG2-CG2 3.94Å; T319-V337 WeakPolarHBondContact OG1-CG1 3.48Å
320	E	98.7	Very high	97.9	Very high	105 Å²	105	51.9 Å²	51.9	49%	0.491	28%	0.277	S	S	.	.	H	α-helix	trans	-63.6	-44.7	178.1	-168.1	-168.5	150	0	0	111.8	A316 E317 A322 I323 K324	A316-E320 WeakPolarHBondContact O-CB 3.34Å; A316-E320 PolarHBondContact O-N 3.3Å; E317-E320 PolarHBondContact O-N 2.93Å; E320-A322 VanDerWaalsContact C-N 3.33Å; E320-A322 PolarHBondContact O-N 3.16Å; E320-I323 PolarHBondContact O-N 3.27Å; E320-K324 WeakPolarHBondContact O-CG 3.45Å; E320-K324 PolarHBondContact O-N 3.1Å; E320-K324 VanDerWaalsContact OE1-CE 3.3Å; E320-K324 WeakPolarHBondContact OE1-CE 3.44Å; E320-K324 IonicContact OE1-NZ 3.96Å; E320-K324 PolarHBondContact OE1-NZ 2.92Å
321	A	98.9	Very high	98.2	Very high	2 Å²	2	49.5 Å²	49.5	2%	0.017	26%	0.264	C	S	.	.	H	α-helix	trans	-61.4	-40.8	174.6	0	0	0	0	0	111.9	M231 F283 W288 E317 M318 K324 V325	M231-A321 HydrophobicContact CE-CB 4.17Å; F283-A321 HydrophobicContact CE2-CB 3.73Å; F283-A321 HydrophobicContact CZ-CB 3.59Å; W288-A321 HydrophobicContact CD2-CB 3.94Å; W288-A321 HydrophobicContact CE3-CB 4.39Å; W288-A321 HydrophobicContact CG-CB 4.46Å; W288-A321 HydrophobicContact CH2-CB 4.2Å; W288-A321 HydrophobicContact CZ2-CB 3.72Å; E317-A321 WeakPolarHBondContact O-CB 3.4Å; E317-A321 PolarHBondContact O-N 3.32Å; M318-A321 PolarHBondContact O-N 2.86Å; A321-K324 WeakPolarHBondContact O-CB 3.28Å; A321-K324 PolarHBondContact O-N 2.04Å; A321-V325 PolarHBondContact O-N 3.48Å
322	A	98.9	Very high	98.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-59.7	-48.8	174.3	0	0	0	0	0	111	V178 V229 M231 M318 T319 E320 K324 V325 L326 L335	V178-A322 HydrophobicContact CG2-CB 3.77Å; V229-A322 HydrophobicContact CB-CB 4.32Å; V229-A322 HydrophobicContact CG1-CB 3.74Å; M231-A322 HydrophobicContact CE-CB 4.07Å; M318-A322 WeakPolarHBondContact O-CB 3.18Å; M318-A322 PolarHBondContact O-N 3.4Å; T319-A322 WeakPolarHBondContact O-CB 3.04Å; T319-A322 PolarHBondContact O-N 3.3Å; E320-A322 VanDerWaalsContact C-N 3.33Å; E320-A322 PolarHBondContact O-N 3.16Å; A322-K324 VanDerWaalsContact C-N 3.3Å; A322-K324 PolarHBondContact O-N 3.31Å; A322-V325 PolarHBondContact O-N 3.48Å; A322-V325 VanDerWaalsContact O-N 3.09Å; A322-L326 HydrophobicContact CB-CD1 4.44Å; A322-L326 WeakPolarHBondContact O-CB 3.3Å; A322-L326 WeakPolarHBondContact O-CG 3.01Å; A322-L326 PolarHBondContact O-N 2.93Å; A322-L335 HydrophobicContact CB-CD1 3.97Å; A322-L335 HydrophobicContact CB-CD2 4Å
323	I	98.8	Very high	98.4	Very high	56 Å²	56	43.5 Å²	43.5	29%	0.287	23%	0.232	S	C	.	.	H	α-helix	trans	-58.9	-41.8	177.7	-66.4	164.1	0	0	0	111.1	I68 T319 E320 V325 L326 S327 F333 L335	I68-I323 HydrophobicContact CD1-CD1 3.83Å; I68-I323 HydrophobicContact CD1-CG1 4.2Å; T319-I323 HydrophobicContact CG2-CD1 3.97Å; T319-I323 WeakPolarHBondContact O-CG1 3.11Å; T319-I323 PolarHBondContact O-N 3.28Å; E320-I323 PolarHBondContact O-N 3.27Å; I323-V325 VanDerWaalsContact C-N 3.26Å; I323-V325 PolarHBondContact O-N 3.2Å; I323-L326 PolarHBondContact O-N 2.87Å; I323-S327 WeakPolarHBondContact O-CB 3.36Å; I323-S327 PolarHBondContact O-N 3.29Å; I323-S327 PolarHBondContact O-OG 3.5Å; I323-F333 HydrophobicContact CG1-CZ 4.33Å; I323-F333 HydrophobicContact CG2-CZ 4.41Å; I323-L335 HydrophobicContact CG1-CD2 3.95Å
324	K	98.7	Very high	98.4	Very high	95 Å²	95	44.6 Å²	44.6	41%	0.413	24%	0.238	S	C	.	.	H	α-helix	trans	-59.6	-32.8	176.7	-75.8	168.2	169.5	164.7	0	113.6	W288 E320 A321 A322 R328	W288-K324 HydrophobicContact CB-CB 3.99Å; E320-K324 WeakPolarHBondContact O-CG 3.45Å; E320-K324 PolarHBondContact O-N 3.1Å; E320-K324 VanDerWaalsContact OE1-CE 3.3Å; E320-K324 WeakPolarHBondContact OE1-CE 3.44Å; E320-K324 IonicContact OE1-NZ 3.96Å; E320-K324 PolarHBondContact OE1-NZ 2.92Å; A321-K324 WeakPolarHBondContact O-CB 3.28Å; A321-K324 PolarHBondContact O-N 2.04Å; A322-K324 VanDerWaalsContact C-N 3.3Å; A322-K324 PolarHBondContact O-N 3.31Å; K324-R328 PolarHBondContact O-NH1 2.82Å
325	V	98.8	Very high	98.5	Very high	6 Å²	6	44 Å²	44	4%	0.036	23%	0.234	C	C	.	.	H	α-helix	trans	-79.9	-49.4	174.9	175.4	0	0	0	0	110.9	V229 W288 V294 A321 A322 I323	V229-V325 HydrophobicContact CG2-CB 3.72Å; V229-V325 HydrophobicContact CG2-CG1 3.65Å; V229-V325 HydrophobicContact CG2-CG2 4.28Å; W288-V325 HydrophobicContact CB-CG2 4.2Å; W288-V325 HydrophobicContact CE3-CG2 3.96Å; V294-V325 HydrophobicContact CG2-CG2 4.26Å; A321-V325 PolarHBondContact O-N 3.48Å; A322-V325 PolarHBondContact O-N 3.48Å; A322-V325 VanDerWaalsContact O-N 3.09Å; I323-V325 VanDerWaalsContact C-N 3.26Å; I323-V325 PolarHBondContact O-N 3.2Å
326	L	98.8	Very high	98.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-73.5	-35.1	-169.7	-60.7	176.7	0	0	0	113.7	T175 N228 V229 A322 I323 R328 N329 F333 L335	T175-L326 VanDerWaalsContact O-CD2 3.32Å; T175-L326 WeakPolarHBondContact O-CD2 3.34Å; N228-L326 HydrophobicContact CB-CD2 3.49Å; N228-L326 VanDerWaalsContact CB-CD2 3.49Å; V229-L326 HydrophobicContact CB-CD2 4.43Å; V229-L326 HydrophobicContact CG2-CD2 3.93Å; V229-L326 HydrophobicContact CG2-CG 4.14Å; A322-L326 HydrophobicContact CB-CD1 4.44Å; A322-L326 WeakPolarHBondContact O-CB 3.3Å; A322-L326 WeakPolarHBondContact O-CG 3.01Å; A322-L326 PolarHBondContact O-N 2.93Å; I323-L326 PolarHBondContact O-N 2.87Å; L326-R328 PolarHBondContact O-N 2.86Å; L326-R328 VanDerWaalsContact O-N 3.14Å; L326-N329 PolarHBondContact O-N 3.23Å; L326-F333 HydrophobicContact CB-CB 3.71Å; L326-F333 HydrophobicContact CB-CD1 3.99Å; L326-F333 HydrophobicContact CB-CD2 4.05Å; L326-F333 HydrophobicContact CB-CG 3.66Å; L326-F333 HydrophobicContact CD1-CB 4.44Å; L326-F333 HydrophobicContact CD1-CD2 3.96Å; L326-F333 HydrophobicContact CD1-CG 4.34Å; L326-L335 HydrophobicContact CD1-CB 3.97Å; L326-L335 HydrophobicContact CD1-CD1 3.95Å; L326-L335 HydrophobicContact CD1-CD2 4.36Å; L326-L335 HydrophobicContact CD1-CG 4.3Å
327	S	98.2	Very high	98.5	Very high	64 Å²	64	38.5 Å²	38.5	45%	0.448	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-10.4	-177.1	57.7	0	0	0	0	114.5	I323 N329	I323-S327 WeakPolarHBondContact O-CB 3.36Å; I323-S327 PolarHBondContact O-N 3.29Å; I323-S327 PolarHBondContact O-OG 3.5Å; S327-N329 PolarHBondContact O-N 3.33Å
328	R	97.7	Very high	98.5	Very high	90 Å²	90	35.3 Å²	35.3	34%	0.34	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-13.4	175.2	-61.8	-159.6	-56.6	-93.2	6.5	113.5	W288 V291 D292 K324 L326 P330	W288-R328 PolarHBondContact O-NH1 3.13Å; V291-R328 PolarHBondContact O-NH2 3.38Å; D292-R328 IonicContact OD1-CZ 3.79Å; D292-R328 IonicContact OD1-NH2 2.65Å; D292-R328 PolarHBondContact OD1-NH2 2.88Å; K324-R328 PolarHBondContact O-NH1 2.82Å; L326-R328 PolarHBondContact O-N 2.86Å; L326-R328 VanDerWaalsContact O-N 3.14Å; R328-P330 WeakPolarHBondContact O-CD 3.32Å
329	N	97.9	Very high	98.5	Very high	33 Å²	33	35.9 Å²	35.9	18%	0.176	19%	0.186	C	C	.	.			trans	-82	116.6	176.9	-173.2	-17.7	0	0	0	109.8	G172 S174 L326 S327 K331 G332	G172-N329 PolarHBondContact O-ND2 3.19Å; S174-N329 PolarHBondContact N-ND2 3.23Å; S174-N329 VanDerWaalsContact OG-CB 3.24Å; S174-N329 WeakPolarHBondContact OG-CB 3.25Å; S174-N329 PolarHBondContact OG-ND2 2.94Å; S174-N329 VanDerWaalsContact OG-ND2 3.1Å; L326-N329 PolarHBondContact O-N 3.23Å; S327-N329 PolarHBondContact O-N 3.33Å; N329-K331 PolarHBondContact O-N 3.25Å; N329-K331 VanDerWaalsContact O-N 3.12Å; N329-K331 WeakPolarHBondContact OD1-CB 3.33Å; N329-K331 PolarHBondContact OD1-N 2.63Å; N329-G332 WeakPolarHBondContact O-CA 3.29Å; N329-G332 PolarHBondContact O-N 2.99Å
330	P	97.6	Very high	98.4	Very high	121 Å²	121	35.2 Å²	35.2	79%	0.786	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-10.4	-177.6	29.5	-37.4	0	0	0	114	R328 G332	R328-P330 WeakPolarHBondContact O-CD 3.32Å; P330-G332 VanDerWaalsContact C-N 3.29Å
331	K	97.5	Very high	98.4	Very high	116 Å²	116	32 Å²	32	50%	0.504	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-18.5	168.4	-71.2	-176.4	168.5	-174.5	0	112.4	A171 F173 N329	A171-K331 PolarHBondContact O-NZ 2.77Å; A171-K331 VanDerWaalsContact O-NZ 3.11Å; F173-K331 HydrophobicContact CD1-CB 4.31Å; F173-K331 WeakPolarHBondContact CD1-O 3.3Å; F173-K331 HydrophobicContact CE1-CB 4.43Å; F173-K331 WeakPolarHBondContact CE1-O 3.24Å; N329-K331 PolarHBondContact O-N 3.25Å; N329-K331 VanDerWaalsContact O-N 3.12Å; N329-K331 WeakPolarHBondContact OD1-CB 3.33Å; N329-K331 PolarHBondContact OD1-N 2.63Å
332	G	98.5	Very high	98.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.178	C	C	.	.			trans	95.8	-170	-172.5	0	0	0	0	0	113.7	E65 N66 S174 N329 P330	E65-G332 WeakPolarHBondContact O-CA 3.17Å; N66-G332 WeakPolarHBondContact OD1-CA 3.47Å; S174-G332 PolarHBondContact N-O 3.25Å; S174-G332 VanDerWaalsContact N-O 3.08Å; N329-G332 WeakPolarHBondContact O-CA 3.29Å; N329-G332 PolarHBondContact O-N 2.99Å; P330-G332 VanDerWaalsContact C-N 3.29Å
333	F	98.8	Very high	98.1	Very high	14 Å²	14	35.4 Å²	35.4	6%	0.061	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	160	-175.2	69.1	-94.1	0	0	0	115.6	N66 V67 I68 S174 I323 L326 L335	N66-F333 WeakPolarHBondContact CA-O 3.31Å; N66-F333 HydrophobicContact CB-CD1 4.04Å; N66-F333 HydrophobicContact CB-CE1 3.73Å; N66-F333 HydrophobicContact CB-CE2 4.41Å; N66-F333 HydrophobicContact CB-CG 4.48Å; N66-F333 HydrophobicContact CB-CZ 3.93Å; N66-F333 VanDerWaalsContact CG-CE1 3.46Å; N66-F333 WeakPolarHBondContact OD1-CD1 3.36Å; N66-F333 VanDerWaalsContact OD1-CE1 3.27Å; N66-F333 WeakPolarHBondContact OD1-CE1 3.34Å; N66-F333 PolarHBondContact OD1-N 3.43Å; V67-F333 PolarHBondContact N-O 3.18Å; I68-F333 HydrophobicContact CD1-CE2 4.19Å; I68-F333 HydrophobicContact CD1-CZ 4.32Å; I68-F333 HydrophobicContact CG1-CE2 3.76Å; I68-F333 HydrophobicContact CG1-CZ 4.3Å; S174-F333 CarbonylContact O-C 3.56Å; S174-F333 WeakPolarHBondContact O-CA 3.49Å; S174-F333 WeakPolarHBondContact O-CB 3.37Å; I323-F333 HydrophobicContact CG1-CZ 4.33Å; I323-F333 HydrophobicContact CG2-CZ 4.41Å; L326-F333 HydrophobicContact CB-CB 3.71Å; L326-F333 HydrophobicContact CB-CD1 3.99Å; L326-F333 HydrophobicContact CB-CD2 4.05Å; L326-F333 HydrophobicContact CB-CG 3.66Å; L326-F333 HydrophobicContact CD1-CB 4.44Å; L326-F333 HydrophobicContact CD1-CD2 3.96Å; L326-F333 HydrophobicContact CD1-CG 4.34Å; F333-L335 HydrophobicContact CD2-CB 3.96Å; F333-L335 HydrophobicContact CE2-CB 3.99Å
334	L	98.7	Very high	97.9	Very high	22 Å²	22	34 Å²	34	12%	0.115	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	120.1	167.4	177.1	64.5	0	0	0	110.3	V67 S164 I165 A168 S174 T175 G176	V67-L334 HydrophobicContact CB-CD1 3.62Å; V67-L334 HydrophobicContact CG1-CD1 3.53Å; V67-L334 WeakPolarHBondContact O-CA 3.43Å; S164-L334 VanDerWaalsContact C-CD2 3.46Å; I165-L334 HydrophobicContact CD1-CB 4.35Å; I165-L334 HydrophobicContact CD1-CD2 3.78Å; I165-L334 HydrophobicContact CD1-CG 3.65Å; I165-L334 HydrophobicContact CG1-CD2 4.16Å; A168-L334 HydrophobicContact CB-CB 4.02Å; A168-L334 HydrophobicContact CB-CD2 4.05Å; S174-L334 PolarHBondContact O-N 3.14Å; T175-L334 VanDerWaalsContact CA-O 3.24Å; T175-L334 WeakPolarHBondContact CA-O 3.33Å; T175-L334 HydrophobicContact CG2-CB 4.44Å; G176-L334 PolarHBondContact N-O 3.08Å
335	L	98.9	Very high	97.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	122.5	-178.3	175.3	59.7	0	0	0	110.7	V67 I68 L69 V178 T319 A322 I323 L326 F333 V337	V67-L335 PolarHBondContact O-N 3.14Å; I68-L335 CarbonylContact C-O 3.41Å; I68-L335 WeakPolarHBondContact CA-O 3.24Å; I68-L335 HydrophobicContact CG1-CB 4.29Å; I68-L335 HydrophobicContact CG1-CD2 4.48Å; I68-L335 HydrophobicContact CG2-CB 4.37Å; I68-L335 HydrophobicContact CG2-CD2 4.28Å; I68-L335 HydrophobicContact CG2-CG 4.31Å; L69-L335 PolarHBondContact N-O 2.99Å; V178-L335 HydrophobicContact CG2-CD1 3.99Å; T319-L335 HydrophobicContact CG2-CD2 4.24Å; A322-L335 HydrophobicContact CB-CD1 3.97Å; A322-L335 HydrophobicContact CB-CD2 4Å; I323-L335 HydrophobicContact CG1-CD2 3.95Å; L326-L335 HydrophobicContact CD1-CB 3.97Å; L326-L335 HydrophobicContact CD1-CD1 3.95Å; L326-L335 HydrophobicContact CD1-CD2 4.36Å; L326-L335 HydrophobicContact CD1-CG 4.3Å; F333-L335 HydrophobicContact CD2-CB 3.96Å; F333-L335 HydrophobicContact CE2-CB 3.99Å; L335-V337 HydrophobicContact CD1-CG2 4.35Å; L335-V337 HydrophobicContact CD2-CG2 3.92Å; L335-V337 HydrophobicContact CG-CG2 3.74Å
336	L	98.9	Very high	97.5	Very high	3 Å²	3	31.5 Å²	31.5	2%	0.016	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	128.6	165.8	174.5	66.1	0	0	0	109.4	L69 I71 M131 I165 G176 I177 V178 A191	L69-L336 HydrophobicContact CB-CD1 4.5Å; L69-L336 HydrophobicContact CD2-CD1 4.14Å; L69-L336 HydrophobicContact CG-CD1 4.26Å; I71-L336 HydrophobicContact CD1-CD1 3.73Å; I71-L336 HydrophobicContact CG1-CD1 4.04Å; M131-L336 HydrophobicContact CE-CD2 4.21Å; M131-L336 HydrophobicContact SD-CD2 3.8Å; I165-L336 HydrophobicContact CD1-CB 4.42Å; G176-L336 PolarHBondContact O-N 3.13Å; I177-L336 CarbonylContact C-O 3.52Å; I177-L336 HydrophobicContact CG2-CD2 4.3Å; V178-L336 PolarHBondContact N-O 3.22Å; A191-L336 HydrophobicContact CB-CD2 4.2Å
337	V	98.9	Very high	97.2	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	126.1	174.2	-174.4	0	0	0	0	109.4	I68 L69 F70 I71 V178 L315 T319 L335	I68-V337 HydrophobicContact CG2-CG2 3.82Å; L69-V337 PolarHBondContact O-N 2.92Å; F70-V337 CarbonylContact C-O 3.55Å; F70-V337 VanDerWaalsContact CA-O 3.31Å; F70-V337 WeakPolarHBondContact CA-O 3.43Å; F70-V337 HydrophobicContact CD1-CB 3.59Å; F70-V337 HydrophobicContact CD1-CG1 3.7Å; F70-V337 HydrophobicContact CD1-CG2 4.22Å; F70-V337 HydrophobicContact CE1-CB 3.77Å; F70-V337 HydrophobicContact CE1-CG1 3.72Å; F70-V337 HydrophobicContact CE1-CG2 3.93Å; F70-V337 HydrophobicContact CG-CB 4.37Å; F70-V337 HydrophobicContact CZ-CG2 4.45Å; I71-V337 PolarHBondContact N-O 2.94Å; V178-V337 CarbonylContact O-C 3.43Å; V178-V337 VanDerWaalsContact O-CA 3.29Å; V178-V337 WeakPolarHBondContact O-CA 3.44Å; L315-V337 HydrophobicContact CD1-CG1 3.61Å; L315-V337 HydrophobicContact CD2-CG1 4.22Å; L315-V337 HydrophobicContact CG-CG1 3.96Å; T319-V337 HydrophobicContact CG2-CG2 3.94Å; T319-V337 WeakPolarHBondContact OG1-CG1 3.48Å; L335-V337 HydrophobicContact CD1-CG2 4.35Å; L335-V337 HydrophobicContact CD2-CG2 3.92Å; L335-V337 HydrophobicContact CG-CG2 3.74Å
338	E	98.8	Very high	97	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	124.7	-175.7	-172	-155.9	-174.8	0	0	113	I71 V178 T179 T180 T187 P188 G340	I71-E338 HydrophobicContact CB-CG 4.47Å; I71-E338 CarbonylContact O-C 3.6Å; I71-E338 VanDerWaalsContact O-CA 3.31Å; I71-E338 WeakPolarHBondContact O-CA 3.12Å; V178-E338 PolarHBondContact O-N 3.45Å; T179-E338 WeakPolarHBondContact CA-O 3.24Å; T179-E338 VanDerWaalsContact CB-OE2 3.29Å; T179-E338 WeakPolarHBondContact CB-OE2 3.32Å; T179-E338 PolarHBondContact OG1-OE2 3.25Å; T180-E338 PolarHBondContact N-O 2.8Å; T180-E338 VanDerWaalsContact N-O 3.14Å; T187-E338 WeakPolarHBondContact CB-OE1 3.19Å; T187-E338 HydrophobicContact CG2-CB 4.5Å; T187-E338 VanDerWaalsContact CG2-CD 3.42Å; T187-E338 HydrophobicContact CG2-CG 3.81Å; T187-E338 WeakPolarHBondContact CG2-OE1 3.49Å; T187-E338 PolarHBondContact OG1-OE1 2.91Å; T187-E338 VanDerWaalsContact OG1-OE1 3.04Å; P188-E338 VanDerWaalsContact CD-OE2 3.32Å; P188-E338 WeakPolarHBondContact CD-OE2 3.5Å; E338-G340 VanDerWaalsContact C-N 3.3Å; E338-G340 PolarHBondContact O-N 3.03Å; E338-G340 WeakPolarHBondContact OE1-CA 3.47Å
339	G	98	Very high	96.7	Very high	12 Å²	12	42.3 Å²	42.3	12%	0.124	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	66.5	162.4	0	0	0	0	0	111.8	I71 R341 I342	I71-G339 PolarHBondContact O-N 2.73Å; G339-R341 VanDerWaalsContact C-N 3.25Å; G339-R341 PolarHBondContact O-N 2.71Å; G339-I342 WeakPolarHBondContact O-CG1 3.19Å; G339-I342 PolarHBondContact O-N 2.71Å
340	G	97.7	Very high	96.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-12.5	-173.1	0	0	0	0	0	115.4	T180 E338 I342 H344	T180-G340 PolarHBondContact OG1-N 3.39Å; E338-G340 VanDerWaalsContact C-N 3.3Å; E338-G340 PolarHBondContact O-N 3.03Å; E338-G340 WeakPolarHBondContact OE1-CA 3.47Å; G340-I342 VanDerWaalsContact C-N 3.31Å; G340-H344 PolarHBondContact O-CE1 3.1Å; G340-H344 PolarHBondContact O-ND1 3.14Å
341	R	97	Very high	95.1	Very high	37 Å²	37	43.2 Å²	43.2	14%	0.14	21%	0.212	C	C	.	.	H	α-helix	trans	-79.2	-12.6	175.5	-65.5	-55	-62.2	167	-4.2	113.2	T180 H302 L303 Y305 G339 H344 G345 E348	T180-R341 PolarHBondContact OG1-N 2.71Å; T180-R341 VanDerWaalsContact OG1-N 3.17Å; H302-R341 PolarHBondContact CD2-NH1 3.31Å; L303-R341 WeakPolarHBondContact O-CD 3.21Å; Y305-R341 HydrophobicContact CD1-CB 3.82Å; Y305-R341 HydrophobicContact CD1-CG 4.47Å; Y305-R341 HydrophobicContact CE1-CB 3.86Å; Y305-R341 WeakPolarHBondContact CE1-O 3.43Å; Y305-R341 PolarHBondContact OH-NH2 3.36Å; Y305-R341 VanDerWaalsContact OH-NH2 3.1Å; G339-R341 VanDerWaalsContact C-N 3.25Å; G339-R341 PolarHBondContact O-N 2.71Å; R341-H344 PolarHBondContact NH1-CE1 2.9Å; R341-H344 PolarHBondContact NH1-ND1 3.43Å; R341-H344 PolarHBondContact O-N 3.21Å; R341-G345 PolarHBondContact O-N 2.89Å; R341-E348 IonicContact NH2-OE1 3.73Å
342	I	96.3	Very high	93.5	Very high	54 Å²	54	47.5 Å²	47.5	28%	0.277	23%	0.234	S	C	.	.	H	α-helix	trans	-62.5	-48.2	177.3	-63.9	167.6	0	0	0	110.4	D73 M75 T79 G339 G340 H344 G345 N346	D73-I342 CarbonylContact O-C 3.56Å; D73-I342 VanDerWaalsContact O-CB 3.25Å; D73-I342 WeakPolarHBondContact O-CB 3.34Å; D73-I342 WeakPolarHBondContact O-CG2 3.25Å; M75-I342 HydrophobicContact CB-CG2 4.12Å; M75-I342 HydrophobicContact SD-CD1 4.36Å; T79-I342 HydrophobicContact CG2-CG2 3.74Å; G339-I342 WeakPolarHBondContact O-CG1 3.19Å; G339-I342 PolarHBondContact O-N 2.71Å; G340-I342 VanDerWaalsContact C-N 3.31Å; I342-H344 PolarHBondContact O-N 3.19Å; I342-G345 PolarHBondContact O-N 2.67Å; I342-N346 PolarHBondContact O-N 3.48Å; I342-N346 PolarHBondContact O-ND2 3.19Å
343	D	95.8	Very high	93.3	Very high	20 Å²	20	49.9 Å²	49.9	11%	0.107	25%	0.246	C	C	.	.	H	α-helix	trans	-56.4	-48.5	176.6	-177.4	64.5	0	0	0	112.4	D73 G345 N346 H347	D73-D343 HydrophobicContact CB-CB 3.96Å; D73-D343 WeakPolarHBondContact O-CA 3.45Å; D73-D343 PolarHBondContact O-N 3.05Å; D343-G345 VanDerWaalsContact C-N 3.32Å; D343-G345 PolarHBondContact O-N 3.45Å; D343-N346 WeakPolarHBondContact O-CB 3.47Å; D343-N346 PolarHBondContact O-N 3.39Å; D343-N346 VanDerWaalsContact O-N 3.11Å; D343-H347 PolarHBondContact O-CD2 3.01Å; D343-H347 PolarHBondContact O-N 3.37Å; D343-H347 IonicContact OD1-CD2 2.7Å; D343-H347 IonicContact OD1-NE2 3.71Å; D343-H347 PolarHBondContact OD1-NE2 3.46Å; D343-H347 IonicContact OD2-CD2 2.91Å; D343-H347 PolarHBondContact OD2-CD2 3.24Å; D343-H347 VanDerWaalsContact OD2-CD2 3.24Å; D343-H347 IonicContact OD2-NE2 3.91Å; D343-H347 PolarHBondContact OD2-NE2 3.04Å
344	H	95.7	Very high	93	Very high	25 Å²	25	51.8 Å²	51.8	12%	0.116	26%	0.255	C	S	.	.	H	α-helix	trans	-59.6	-42.6	176.6	-59.8	112.8	0	0	0	112.2	H302 Y305 G340 R341 I342 N346 H347 E348	H302-H344 AromaticContact CE1-CE1 3.62Å; H302-H344 AromaticContact CE1-NE2 3.67Å; H302-H344 AromaticContact ND1-CE1 3.75Å; H302-H344 AromaticContact NE2-CE1 3.94Å; H302-H344 AromaticContact NE2-NE2 3.67Å; Y305-H344 VanDerWaalsContact OH-C 3.28Å; Y305-H344 WeakPolarHBondContact OH-CB 3.32Å; G340-H344 PolarHBondContact O-CE1 3.1Å; G340-H344 PolarHBondContact O-ND1 3.14Å; R341-H344 PolarHBondContact NH1-CE1 2.9Å; R341-H344 PolarHBondContact NH1-ND1 3.43Å; R341-H344 PolarHBondContact O-N 3.21Å; I342-H344 PolarHBondContact O-N 3.19Å; H344-N346 VanDerWaalsContact C-N 3.33Å; H344-N346 PolarHBondContact O-N 3.01Å; H344-H347 PolarHBondContact O-N 3.04Å; H344-E348 WeakPolarHBondContact O-CB 3.39Å; H344-E348 VanDerWaalsContact O-CG 3.24Å; H344-E348 WeakPolarHBondContact O-CG 3.32Å; H344-E348 PolarHBondContact O-N 3.12Å
345	G	94.5	Very high	92.6	Very high	3 Å²	3	53.4 Å²	53.4	3%	0.031	26%	0.263	C	S	.	.	H	α-helix	trans	-59.9	-42.6	174.7	0	0	0	0	0	111.8	Y305 R341 I342 D343 E348 N349 R350 A351	Y305-G345 PolarHBondContact OH-N 3.37Å; R341-G345 PolarHBondContact O-N 2.89Å; I342-G345 PolarHBondContact O-N 2.67Å; D343-G345 VanDerWaalsContact C-N 3.32Å; D343-G345 PolarHBondContact O-N 3.45Å; G345-E348 PolarHBondContact O-N 2.92Å; G345-N349 PolarHBondContact O-N 3.27Å; G345-N349 VanDerWaalsContact O-N 3.16Å; G345-R350 CarbonylContact O-C 3.6Å; G345-R350 WeakPolarHBondContact O-CA 3.35Å; G345-R350 PolarHBondContact O-N 2.92Å; G345-A351 PolarHBondContact O-N 3.4Å
346	N	94.1	Very high	92.3	Very high	47 Å²	47	56.6 Å²	56.6	25%	0.251	28%	0.279	S	S	.	.	H	α-helix	trans	-63	-45.6	174.2	-71.8	-67.5	0	0	0	112.3	G74 T79 I342 D343 H344 E348 N349 A351	G74-N346 PolarHBondContact O-ND2 3.1Å; G74-N346 VanDerWaalsContact O-ND2 3.16Å; T79-N346 PolarHBondContact OG1-OD1 2.95Å; I342-N346 PolarHBondContact O-N 3.48Å; I342-N346 PolarHBondContact O-ND2 3.19Å; D343-N346 WeakPolarHBondContact O-CB 3.47Å; D343-N346 PolarHBondContact O-N 3.39Å; D343-N346 VanDerWaalsContact O-N 3.11Å; H344-N346 VanDerWaalsContact C-N 3.33Å; H344-N346 PolarHBondContact O-N 3.01Å; N346-E348 VanDerWaalsContact C-N 3.29Å; N346-E348 PolarHBondContact O-N 3.32Å; N346-N349 PolarHBondContact O-N 3.28Å; N346-N349 VanDerWaalsContact O-N 3.13Å; N346-A351 HydrophobicContact CB-CB 4.48Å; N346-A351 WeakPolarHBondContact OD1-CB 3.48Å
347	H	92.7	Very high	91.9	Very high	139 Å²	139	59.9 Å²	59.9	64%	0.644	30%	0.295	S	S	*	.	H	α-helix	trans	-62.6	-35.5	177.6	-79.4	-55.5	0	0	0	113.4	D343 H344 N349	D343-H347 PolarHBondContact O-CD2 3.01Å; D343-H347 PolarHBondContact O-N 3.37Å; D343-H347 IonicContact OD1-CD2 2.7Å; D343-H347 IonicContact OD1-NE2 3.71Å; D343-H347 PolarHBondContact OD1-NE2 3.46Å; D343-H347 IonicContact OD2-CD2 2.91Å; D343-H347 PolarHBondContact OD2-CD2 3.24Å; D343-H347 VanDerWaalsContact OD2-CD2 3.24Å; D343-H347 IonicContact OD2-NE2 3.91Å; D343-H347 PolarHBondContact OD2-NE2 3.04Å; H344-H347 PolarHBondContact O-N 3.04Å; H347-N349 VanDerWaalsContact C-N 3.26Å; H347-N349 PolarHBondContact O-N 3.37Å
348	E	94.4	Very high	91.4	Very high	88 Å²	88	63.9 Å²	63.9	41%	0.411	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-1.5	178.4	-67.7	167.7	-162.8	0	0	112.7	Y305 R341 H344 G345 N346 R350	Y305-E348 WeakPolarHBondContact CE2-OE2 3.1Å; Y305-E348 PolarHBondContact OH-OE1 3.07Å; Y305-E348 PolarHBondContact OH-OE2 3.48Å; R341-E348 IonicContact NH2-OE1 3.73Å; H344-E348 WeakPolarHBondContact O-CB 3.39Å; H344-E348 VanDerWaalsContact O-CG 3.24Å; H344-E348 WeakPolarHBondContact O-CG 3.32Å; H344-E348 PolarHBondContact O-N 3.12Å; G345-E348 PolarHBondContact O-N 2.92Å; N346-E348 VanDerWaalsContact C-N 3.29Å; N346-E348 PolarHBondContact O-N 3.32Å; E348-R350 HydrophobicContact CB-CB 4.39Å; E348-R350 HydrophobicContact CB-CG 3.98Å; E348-R350 PolarHBondContact O-N 2.83Å; E348-R350 IonicContact OE2-NH1 3.97Å
349	N	89.7	Confident	90.9	Very high	154 Å²	154	68.4 Å²	68.4	82%	0.824	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	33.9	-170.2	-56.7	-57.9	0	0	0	113.6	G345 N346 H347	G345-N349 PolarHBondContact O-N 3.27Å; G345-N349 VanDerWaalsContact O-N 3.16Å; N346-N349 PolarHBondContact O-N 3.28Å; N346-N349 VanDerWaalsContact O-N 3.13Å; H347-N349 VanDerWaalsContact C-N 3.26Å; H347-N349 PolarHBondContact O-N 3.37Å
350	R	86.9	Confident	90.3	Very high	134 Å²	134	72.8 Å²	72.8	51%	0.506	35%	0.353	S	S	.	.			trans	-117.1	28.5	178.9	-58.1	-179.1	67.8	-160.6	-1	112.2	E308 G345 E348 Q352	E308-R350 IonicContact OE1-CZ 3.78Å; E308-R350 IonicContact OE1-NH1 3.2Å; E308-R350 PolarHBondContact OE1-NH1 3.15Å; E308-R350 IonicContact OE1-NH2 3.29Å; E308-R350 PolarHBondContact OE1-NH2 3.49Å; G345-R350 CarbonylContact O-C 3.6Å; G345-R350 WeakPolarHBondContact O-CA 3.35Å; G345-R350 PolarHBondContact O-N 2.92Å; E348-R350 HydrophobicContact CB-CB 4.39Å; E348-R350 HydrophobicContact CB-CG 3.98Å; E348-R350 PolarHBondContact O-N 2.83Å; E348-R350 IonicContact OE2-NH1 3.97Å; R350-Q352 VanDerWaalsContact C-N 3.27Å; R350-Q352 PolarHBondContact O-N 3.42Å
351	A	75.9	Confident	89.7	Confident	39 Å²	39	78.8 Å²	78.8	32%	0.322	38%	0.383	S	S	.	.			trans	-75	-14.9	-175.4	0	0	0	0	0	114.4	G345 N346	G345-A351 PolarHBondContact O-N 3.4Å; N346-A351 HydrophobicContact CB-CB 4.48Å; N346-A351 WeakPolarHBondContact OD1-CB 3.48Å
352	Q	63.8	Low	89.1	Confident	206 Å²	206	82.6 Å²	82.6	96%	0.963	41%	0.405	S	S	*	.			trans	-88.6	0	179.5	-66.3	-178.7	-0.5	0	0	111.4	R350	R350-Q352 VanDerWaalsContact C-N 3.27Å; R350-Q352 PolarHBondContact O-N 3.42Å

Retrieved 352 of 352 residues in 120.4 ms (Link to these results)

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