A0A5K4F6F6_SCHMA Loading...

Peptidase_M13_N domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F6F6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 735 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	46.2	Very low	66	Low	231 Å²	231	143 Å²	143	100%	1.138	68%	0.679	S	S	*	*				0	-24.2	0	-152.6	160.6	161.3	0	0	113.7
2	I	49.4	Very low	66.7	Low	156 Å²	156	140 Å²	140	80%	0.8	67%	0.669	S	S	*	*	G	3₁₀ helix	trans	-78.1	-16.5	179.7	-66.2	162.8	0	0	0	114	K4	I2-K4 VanDerWaalsContact C-N 3.31Å; I2-K4 PolarHBondContact O-N 3.37Å
3	L	53.8	Low	67.2	Low	122 Å²	122	136.6 Å²	136.6	64%	0.639	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-71.8	-12.6	-178.5	-78.2	155.7	0	0	0	115.7	L6 L14	L3-L6 HydrophobicContact CD2-CD1 4.44Å; L3-L14 HydrophobicContact CD2-CD2 4.35Å
4	K	62.7	Low	67.4	Low	191 Å²	191	132.8 Å²	132.8	83%	0.83	64%	0.64	S	S	*	*	G	3₁₀ helix	trans	-80	-17.7	-175.1	-86.6	-174.4	174.7	-179.3	0	114.7	I2	I2-K4 VanDerWaalsContact C-N 3.31Å; I2-K4 PolarHBondContact O-N 3.37Å
5	N	68.1	Low	67.4	Low	159 Å²	159	127.2 Å²	127.2	85%	0.85	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-103.8	10.6	-175.2	-81.7	-7.5	0	0	0	115.3
6	L	69.1	Low	67.7	Low	51 Å²	51	125.8 Å²	125.8	27%	0.267	61%	0.614	S	S	.	*			trans	-86.7	132.1	178.8	-65.9	171.8	0	0	0	111.6	L3 Q10 K11 L14	L3-L6 HydrophobicContact CD2-CD1 4.44Å; L6-Q10 HydrophobicContact CB-CB 4.05Å; L6-Q10 HydrophobicContact CD2-CB 3.93Å; L6-Q10 HydrophobicContact CD2-CG 4.49Å; L6-Q10 HydrophobicContact CG-CB 4.48Å; L6-K11 HydrophobicContact CB-CG 3.85Å; L6-K11 WeakPolarHBondContact O-CE 3.41Å; L6-L14 HydrophobicContact CD1-CD2 4.29Å
7	S	80.9	Confident	67.2	Low	57 Å²	57	125.1 Å²	125.1	40%	0.399	61%	0.613	S	S	.	*			trans	-60.8	157.4	170.2	67.4	0	0	0	0	111.2	R9 Q10 K11	S7-R9 PolarHBondContact O-N 2.77Å; S7-R9 VanDerWaalsContact O-N 3.14Å; S7-Q10 PolarHBondContact O-N 3.38Å; S7-Q10 WeakPolarHBondContact OG-CG 3.33Å; S7-Q10 PolarHBondContact OG-N 2.67Å; S7-Q10 PolarHBondContact OG-OE1 3.26Å; S7-K11 PolarHBondContact O-N 2.76Å
8	K	75.1	Confident	67	Low	197 Å²	197	122.5 Å²	122.5	86%	0.857	61%	0.606	S	S	*	*	H	α-helix	trans	-51.8	-37.6	176.7	-94.3	-176.5	174.8	-179.1	0	112.7	L12	K8-L12 PolarHBondContact O-N 3.31Å; K8-L12 VanDerWaalsContact O-N 3.13Å
9	R	73.5	Confident	66.6	Low	208 Å²	208	121.6 Å²	121.6	79%	0.785	60%	0.602	S	S	*	*	H	α-helix	trans	-65.7	-42	176.2	-108	-177.1	176.2	-177.5	-1.5	112.4	S7 L12 I13	S7-R9 PolarHBondContact O-N 2.77Å; S7-R9 VanDerWaalsContact O-N 3.14Å; R9-L12 PolarHBondContact O-N 2.86Å; R9-I13 VanDerWaalsContact O-CG1 3.31Å; R9-I13 WeakPolarHBondContact O-CG1 3.22Å; R9-I13 PolarHBondContact O-N 3.5Å
10	Q	73.2	Confident	65.4	Low	94 Å²	94	117.6 Å²	117.6	44%	0.439	59%	0.594	S	S	.	*	H	α-helix	trans	-70.4	-36.3	179.2	-72.9	165.1	-42.2	0	0	112.3	L6 S7 L12 I13 L14	L6-Q10 HydrophobicContact CB-CB 4.05Å; L6-Q10 HydrophobicContact CD2-CB 3.93Å; L6-Q10 HydrophobicContact CD2-CG 4.49Å; L6-Q10 HydrophobicContact CG-CB 4.48Å; S7-Q10 PolarHBondContact O-N 3.38Å; S7-Q10 WeakPolarHBondContact OG-CG 3.33Å; S7-Q10 PolarHBondContact OG-N 2.67Å; S7-Q10 PolarHBondContact OG-OE1 3.26Å; Q10-L12 VanDerWaalsContact C-N 3.3Å; Q10-L12 PolarHBondContact O-N 2.82Å; Q10-I13 PolarHBondContact O-N 3.26Å; Q10-L14 WeakPolarHBondContact O-CB 3.36Å; Q10-L14 PolarHBondContact O-N 3.11Å
11	K	74.7	Confident	64.3	Low	107 Å²	107	115 Å²	115	47%	0.465	59%	0.59	S	S	.	*	H	α-helix	trans	-61.9	-40.9	172.1	-69.5	-177.2	180	178.4	0	111.5	L6 S7 L14 S15	L6-K11 HydrophobicContact CB-CG 3.85Å; L6-K11 WeakPolarHBondContact O-CE 3.41Å; S7-K11 PolarHBondContact O-N 2.76Å; K11-L14 PolarHBondContact O-N 3.21Å; K11-S15 PolarHBondContact O-N 3.36Å; K11-S15 PolarHBondContact O-OG 2.95Å
12	L	74.2	Confident	64.2	Low	107 Å²	107	108.5 Å²	108.5	56%	0.56	56%	0.559	S	S	*	*	H	α-helix	trans	-65.5	-44	178.1	-166	73.3	0	0	0	112.1	K8 R9 Q10 S15 I16	K8-L12 PolarHBondContact O-N 3.31Å; K8-L12 VanDerWaalsContact O-N 3.13Å; R9-L12 PolarHBondContact O-N 2.86Å; Q10-L12 VanDerWaalsContact C-N 3.3Å; Q10-L12 PolarHBondContact O-N 2.82Å; L12-S15 VanDerWaalsContact C-OG 3.3Å; L12-S15 VanDerWaalsContact CA-OG 3.26Å; L12-S15 WeakPolarHBondContact CA-OG 3.4Å; L12-S15 PolarHBondContact O-N 3.43Å; L12-S15 PolarHBondContact O-OG 2.81Å; L12-I16 HydrophobicContact CG-CD1 4.15Å; L12-I16 VanDerWaalsContact O-CG1 3.26Å; L12-I16 WeakPolarHBondContact O-CG1 3.44Å; L12-I16 PolarHBondContact O-N 3.03Å
13	I	73.1	Confident	63.8	Low	96 Å²	96	104.8 Å²	104.8	49%	0.492	55%	0.546	S	S	.	.	H	α-helix	trans	-64.7	-41.5	176.7	-66.7	165.3	0	0	0	110.7	R9 Q10 S15 I16 L17	R9-I13 VanDerWaalsContact O-CG1 3.31Å; R9-I13 WeakPolarHBondContact O-CG1 3.22Å; R9-I13 PolarHBondContact O-N 3.5Å; Q10-I13 PolarHBondContact O-N 3.26Å; I13-S15 PolarHBondContact O-N 3.5Å; I13-I16 PolarHBondContact O-N 3.07Å; I13-L17 HydrophobicContact CG2-CD1 3.89Å; I13-L17 HydrophobicContact CG2-CG 4.5Å; I13-L17 WeakPolarHBondContact O-CG 3.41Å; I13-L17 PolarHBondContact O-N 2.66Å
14	L	69.9	Low	63.1	Low	83 Å²	83	103 Å²	103	44%	0.435	55%	0.549	S	S	.	.	H	α-helix	trans	-64.4	-40.2	176.7	-145.6	81.9	0	0	0	111.6	L3 L6 Q10 K11 L17 V18	L3-L14 HydrophobicContact CD2-CD2 4.35Å; L6-L14 HydrophobicContact CD1-CD2 4.29Å; Q10-L14 WeakPolarHBondContact O-CB 3.36Å; Q10-L14 PolarHBondContact O-N 3.11Å; K11-L14 PolarHBondContact O-N 3.21Å; L14-L17 PolarHBondContact O-N 3.48Å; L14-V18 WeakPolarHBondContact O-CB 3.47Å; L14-V18 WeakPolarHBondContact O-CG2 3.33Å; L14-V18 PolarHBondContact O-N 3Å
15	S	67.6	Low	61.8	Low	49 Å²	49	97.7 Å²	97.7	34%	0.343	54%	0.536	S	S	.	.	H	α-helix	trans	-66.1	-36.1	174	44.6	0	0	0	0	112.8	K11 L12 I13 I19	K11-S15 PolarHBondContact O-N 3.36Å; K11-S15 PolarHBondContact O-OG 2.95Å; L12-S15 VanDerWaalsContact C-OG 3.3Å; L12-S15 VanDerWaalsContact CA-OG 3.26Å; L12-S15 WeakPolarHBondContact CA-OG 3.4Å; L12-S15 PolarHBondContact O-N 3.43Å; L12-S15 PolarHBondContact O-OG 2.81Å; I13-S15 PolarHBondContact O-N 3.5Å; S15-I19 VanDerWaalsContact O-CB 3.28Å; S15-I19 WeakPolarHBondContact O-CB 3.48Å; S15-I19 VanDerWaalsContact O-CD1 3.32Å; S15-I19 WeakPolarHBondContact O-CD1 3.11Å; S15-I19 WeakPolarHBondContact O-CG1 3.37Å; S15-I19 PolarHBondContact O-N 2.9Å
16	I	71.8	Confident	60.4	Low	104 Å²	104	93.8 Å²	93.8	53%	0.533	52%	0.517	S	S	.	.	H	α-helix	trans	-70.2	-37.4	177.2	-68.2	164.8	0	0	0	110.9	L12 I13 G20	L12-I16 HydrophobicContact CG-CD1 4.15Å; L12-I16 VanDerWaalsContact O-CG1 3.26Å; L12-I16 WeakPolarHBondContact O-CG1 3.44Å; L12-I16 PolarHBondContact O-N 3.03Å; I13-I16 PolarHBondContact O-N 3.07Å; I16-G20 PolarHBondContact O-N 2.53Å
17	L	59.8	Low	58.8	Low	114 Å²	114	97.2 Å²	97.2	60%	0.597	54%	0.54	S	S	*	.	H	α-helix	trans	-71.4	-37.6	176.5	-73.3	167.3	0	0	0	112.4	I13 L14 G20 A21	I13-L17 HydrophobicContact CG2-CD1 3.89Å; I13-L17 HydrophobicContact CG2-CG 4.5Å; I13-L17 WeakPolarHBondContact O-CG 3.41Å; I13-L17 PolarHBondContact O-N 2.66Å; L14-L17 PolarHBondContact O-N 3.48Å; L17-G20 PolarHBondContact O-N 3.4Å; L17-A21 VanDerWaalsContact O-CB 3.29Å; L17-A21 WeakPolarHBondContact O-CB 3.29Å; L17-A21 PolarHBondContact O-N 2.78Å
18	V	62.9	Low	56.5	Low	79 Å²	79	102.4 Å²	102.4	48%	0.479	56%	0.563	S	S	.	*	H	α-helix	trans	-69.7	-40.1	174.9	172.4	0	0	0	0	111	L14 I22	L14-V18 WeakPolarHBondContact O-CB 3.47Å; L14-V18 WeakPolarHBondContact O-CG2 3.33Å; L14-V18 PolarHBondContact O-N 3Å; V18-I22 HydrophobicContact CG1-CD1 3.62Å; V18-I22 HydrophobicContact CG1-CG1 4.48Å; V18-I22 WeakPolarHBondContact O-CB 3.49Å; V18-I22 WeakPolarHBondContact O-CD1 3.28Å; V18-I22 WeakPolarHBondContact O-CG1 3.35Å; V18-I22 PolarHBondContact O-N 2.92Å
19	I	59.2	Low	54.3	Low	105 Å²	105	98 Å²	98	54%	0.538	55%	0.552	S	S	.	*	H	α-helix	trans	-69.8	-36.3	174.9	-66.4	165.4	0	0	0	110.8	S15 C23	S15-I19 VanDerWaalsContact O-CB 3.28Å; S15-I19 WeakPolarHBondContact O-CB 3.48Å; S15-I19 VanDerWaalsContact O-CD1 3.32Å; S15-I19 WeakPolarHBondContact O-CD1 3.11Å; S15-I19 WeakPolarHBondContact O-CG1 3.37Å; S15-I19 PolarHBondContact O-N 2.9Å; I19-C23 VanDerWaalsContact O-CB 3.26Å; I19-C23 WeakPolarHBondContact O-CB 3.43Å; I19-C23 PolarHBondContact O-N 3.2Å; I19-C23 PolarHBondContact O-SG 3.32Å
20	G	43.2	Very low	52.3	Low	42 Å²	42	94.7 Å²	94.7	43%	0.433	55%	0.549	S	S	.	.	H	α-helix	trans	-68.1	-37.4	175.4	0	0	0	0	0	113.7	I16 L17 A24	I16-G20 PolarHBondContact O-N 2.53Å; L17-G20 PolarHBondContact O-N 3.4Å; G20-A24 WeakPolarHBondContact O-CB 2.88Å; G20-A24 PolarHBondContact O-N 2.85Å; G20-A24 VanDerWaalsContact O-N 3.12Å
21	A	41.7	Very low	50.3	Low	62 Å²	62	99.8 Å²	99.8	51%	0.512	57%	0.57	S	S	.	*	H	α-helix	trans	-74.2	-35	175.9	0	0	0	0	0	112.4	L17 S25	L17-A21 VanDerWaalsContact O-CB 3.29Å; L17-A21 WeakPolarHBondContact O-CB 3.29Å; L17-A21 PolarHBondContact O-N 2.78Å; A21-S25 PolarHBondContact O-N 3.32Å; A21-S25 PolarHBondContact O-OG 3.41Å
22	I	45.4	Very low	48.2	Very low	96 Å²	96	101.8 Å²	101.8	49%	0.492	59%	0.585	S	S	.	*	H	α-helix	trans	-72.7	-34.3	174.3	-66.2	167.4	0	0	0	110.9	V18 V26	V18-I22 HydrophobicContact CG1-CD1 3.62Å; V18-I22 HydrophobicContact CG1-CG1 4.48Å; V18-I22 WeakPolarHBondContact O-CB 3.49Å; V18-I22 WeakPolarHBondContact O-CD1 3.28Å; V18-I22 WeakPolarHBondContact O-CG1 3.35Å; V18-I22 PolarHBondContact O-N 2.92Å; I22-V26 HydrophobicContact CG2-CG2 4.26Å; I22-V26 VanDerWaalsContact O-CB 3.29Å; I22-V26 WeakPolarHBondContact O-CB 3.43Å; I22-V26 WeakPolarHBondContact O-CG2 3.4Å; I22-V26 PolarHBondContact O-N 2.98Å
23	C	40	Very low	46.2	Very low	78 Å²	78	102.5 Å²	102.5	53%	0.527	59%	0.593	S	S	.	*	H	α-helix	trans	-75.7	-20.7	175.2	-73.7	0	0	0	0	113.8	I19 V27	I19-C23 VanDerWaalsContact O-CB 3.26Å; I19-C23 WeakPolarHBondContact O-CB 3.43Å; I19-C23 PolarHBondContact O-N 3.2Å; I19-C23 PolarHBondContact O-SG 3.32Å; C23-V27 VanDerWaalsContact O-CG2 3.23Å; C23-V27 WeakPolarHBondContact O-CG2 3.06Å
24	A	38.3	Very low	44.2	Very low	84 Å²	84	106.3 Å²	106.3	69%	0.694	60%	0.602	S	S	*	*	H	α-helix	trans	-86.5	-21.2	175.3	0	0	0	0	0	113.2	G20	G20-A24 WeakPolarHBondContact O-CB 2.88Å; G20-A24 PolarHBondContact O-N 2.85Å; G20-A24 VanDerWaalsContact O-N 3.12Å
25	S	37	Very low	42.3	Very low	79 Å²	79	110.5 Å²	110.5	55%	0.552	62%	0.619	S	S	*	*	H	α-helix	trans	-97.8	-4.4	177.1	69.7	0	0	0	0	114.5	A21	A21-S25 PolarHBondContact O-N 3.32Å; A21-S25 PolarHBondContact O-OG 3.41Å
26	V	37.1	Very low	40.6	Very low	77 Å²	77	116.6 Å²	116.6	47%	0.467	65%	0.646	S	S	.	*	S	Bend	trans	-109.2	2.2	-177.1	175.9	0	0	0	0	112.9	I22 I30	I22-V26 HydrophobicContact CG2-CG2 4.26Å; I22-V26 VanDerWaalsContact O-CB 3.29Å; I22-V26 WeakPolarHBondContact O-CB 3.43Å; I22-V26 WeakPolarHBondContact O-CG2 3.4Å; I22-V26 PolarHBondContact O-N 2.98Å; V26-I30 HydrophobicContact CG1-CD1 4.36Å
27	V	36.1	Very low	38.5	Very low	123 Å²	123	121.1 Å²	121.1	75%	0.745	66%	0.662	S	S	*	*	S	Bend	trans	-94.4	4.5	-179.4	175.7	0	0	0	0	113.5	C23	C23-V27 VanDerWaalsContact O-CG2 3.23Å; C23-V27 WeakPolarHBondContact O-CG2 3.06Å
28	L	32.5	Very low	37	Very low	166 Å²	166	120.1 Å²	120.1	87%	0.869	67%	0.665	S	S	*	*	S	Bend	trans	-124.6	11.1	179.1	-140.3	80.1	0	0	0	115.1
29	T	30	Very low	35.3	Very low	104 Å²	104	123 Å²	123	64%	0.638	68%	0.677	S	S	*	*	S	Bend	trans	-158.3	106.9	-179.6	6.5	0	0	0	0	107.7
30	I	31.2	Very low	34	Very low	139 Å²	139	124.2 Å²	124.2	71%	0.713	69%	0.69	S	S	*	*			trans	158.9	93.5	156.3	-77.2	148	0	0	0	106.7	V26	V26-I30 HydrophobicContact CG1-CD1 4.36Å
31	F	30.4	Very low	33.5	Very low	201 Å²	201	129.3 Å²	129.3	88%	0.882	71%	0.707	S	S	*	*			trans	-136	73.8	149.7	-106.6	-83.1	0	0	0	106.7	V33	F31-V33 HydrophobicContact CD1-CG2 3.87Å; F31-V33 HydrophobicContact CE1-CG2 4.17Å
32	L	30.3	Very low	32.9	Very low	150 Å²	150	132.8 Å²	132.8	79%	0.785	72%	0.717	S	S	*	*			trans	-108.5	89	161.8	-93.6	163.8	0	0	0	105.8	R34	L32-R34 PolarHBondContact O-N 2.95Å
33	V	32.5	Very low	32.1	Very low	121 Å²	121	136.1 Å²	136.1	73%	0.733	73%	0.731	S	S	*	*			trans	-88.6	92.4	172.7	178.4	0	0	0	0	107.5	F31	F31-V33 HydrophobicContact CD1-CG2 3.87Å; F31-V33 HydrophobicContact CE1-CG2 4.17Å
34	R	30.9	Very low	31.7	Very low	177 Å²	177	139.9 Å²	139.9	67%	0.668	75%	0.746	S	S	*	*			trans	-99	122.1	158.7	-105.6	-178.5	177.8	163.6	0.8	107.9	L32 T56	L32-R34 PolarHBondContact O-N 2.95Å; R34-T56 PolarHBondContact NH2-OG1 3.16Å
35	H	30.2	Very low	31.3	Very low	171 Å²	171	143.7 Å²	143.7	79%	0.792	75%	0.753	S	S	*	*			trans	62.7	115.2	168.6	-70.7	-55.6	0	0	0	116.7
36	L	31.1	Very low	31.3	Very low	176 Å²	176	145.8 Å²	145.8	92%	0.921	77%	0.768	S	S	*	*				-159.8	121.8	114.8	-98.5	163	0	0	0	110.7
37	K	28.2	Very low	31.6	Very low	200 Å²	200	147.3 Å²	147.3	87%	0.87	78%	0.78	S	S	*	*			trans	-63.9	149	173.6	-141.6	171.3	-174.3	173.9	0	109.8
38	S	28.4	Very low	31.8	Very low	93 Å²	93	145.1 Å²	145.1	65%	0.65	77%	0.768	S	S	*	*			trans	92.8	115.7	150.4	-169.3	0	0	0	0	118.8
39	N	28.1	Very low	32.4	Very low	139 Å²	139	141.1 Å²	141.1	74%	0.743	75%	0.751	S	S	*	*			trans	70.3	99	147.3	-62.7	0.7	0	0	0	117.4
40	T	31.3	Very low	33	Very low	131 Å²	131	141 Å²	141	80%	0.804	76%	0.76	S	S	*	*				168.2	120.9	95.4	39.9	0	0	0	0	110.9
41	N	32.3	Very low	33.6	Very low	149 Å²	149	137 Å²	137	80%	0.797	75%	0.748	S	S	*	*			trans	24.5	124.4	144.2	-59.3	-9.3	0	0	0	121.3
42	N	28.8	Very low	34.3	Very low	135 Å²	135	131.6 Å²	131.6	72%	0.722	73%	0.733	S	S	*	*			trans	73.7	125	136.2	-76.3	12.8	0	0	0	120.8
43	E	29.9	Very low	35.2	Very low	165 Å²	165	126.5 Å²	126.5	77%	0.771	71%	0.708	S	S	*	*			trans	76.1	92.1	141.1	-66.7	169.3	-177.6	0	0	116.4
44	D	31.1	Very low	35.9	Very low	158 Å²	158	125.4 Å²	125.4	85%	0.845	70%	0.697	S	S	*	*				150.8	84.9	129.8	-78.3	-21.9	0	0	0	112.9
45	L	30.8	Very low	37.1	Very low	163 Å²	163	118.6 Å²	118.6	85%	0.853	67%	0.674	S	S	*	*			trans	-140.8	83.6	162.8	-76.2	173.5	0	0	0	111.2
46	S	36.1	Very low	37.9	Very low	123 Å²	123	112.9 Å²	112.9	86%	0.86	65%	0.651	S	S	*	*			trans	-109.5	139.4	153.4	-75.7	0	0	0	0	107.4
47	P	42.9	Very low	38.9	Very low	109 Å²	109	107.4 Å²	107.4	71%	0.708	62%	0.621	S	S	*	*	S	Bend	cis	-115.8	174.4	16	20	3.2	0	0	0	114.8
48	P	41.4	Very low	40.2	Very low	78 Å²	78	98.5 Å²	98.5	51%	0.506	58%	0.583	S	S	.	*			trans	-56.2	141.9	179.6	20.9	-34.1	0	0	0	114.2
49	T	44.3	Very low	41.4	Very low	82 Å²	82	100 Å²	100	50%	0.503	58%	0.578	S	S	.	*			trans	-73.4	130.9	-179.2	25.4	0	0	0	0	112.1	A51	T49-A51 PolarHBondContact O-N 3.03Å
50	A	43.7	Very low	42.6	Very low	102 Å²	102	100 Å²	100	84%	0.843	57%	0.574	S	S	*	*	S	Bend	trans	-83.5	9.9	174.3	0	0	0	0	0	113.7
51	A	42.3	Very low	43.4	Very low	55 Å²	55	96.8 Å²	96.8	46%	0.455	56%	0.555	S	S	.	*	S	Bend	trans	-113.1	144	-176.5	0	0	0	0	0	110.8	T49 A73	T49-A51 PolarHBondContact O-N 3.03Å; A51-A73 VanDerWaalsContact C-CB 3.4Å; A51-A73 WeakPolarHBondContact O-CB 3.48Å
52	P	46.6	Very low	44.2	Very low	86 Å²	86	90.8 Å²	90.8	56%	0.558	52%	0.524	S	S	*	.			trans	-61.4	140.1	178.4	23.2	-31.3	0	0	0	111.6	P74	P52-P74 WeakPolarHBondContact CA-O 3.27Å; P52-P74 HydrophobicContact CB-CG 4.33Å; P52-P74 WeakPolarHBondContact CB-O 3.44Å
53	V	49.2	Very low	45.1	Very low	44 Å²	44	90 Å²	90	27%	0.267	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	122.6	177.5	-179.4	0	0	0	0	108.5	I55 T71 P74 V75 L76	V53-I55 HydrophobicContact CG1-CG1 4.22Å; V53-T71 HydrophobicContact CG2-CG2 3.6Å; V53-P74 PolarHBondContact N-O 3.45Å; V53-V75 HydrophobicContact CB-CG1 4.42Å; V53-V75 HydrophobicContact CB-CG2 4.41Å; V53-V75 CarbonylContact O-C 3.59Å; V53-L76 PolarHBondContact O-N 3.03Å
54	L	45.8	Very low	45.7	Very low	97 Å²	97	87.3 Å²	87.3	51%	0.508	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	110.9	177.5	-175.7	71.4	0	0	0	110.4	T56 L76 T78	L54-T56 HydrophobicContact CD2-CG2 4.31Å; L54-T56 HydrophobicContact CG-CG2 4.34Å; L54-L76 CarbonylContact C-O 3.54Å; L54-L76 WeakPolarHBondContact CA-O 3.31Å; L54-L76 HydrophobicContact CD1-CB 3.97Å; L54-L76 HydrophobicContact CD1-CD2 3.33Å; L54-L76 HydrophobicContact CD1-CG 4.22Å; L54-T78 HydrophobicContact CD1-CG2 3.67Å
55	I	56.1	Low	46.7	Very low	34 Å²	34	88.2 Å²	88.2	17%	0.174	50%	0.504	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	110.1	173.6	-57.2	-179.3	0	0	0	108.2	V53 V58 V62 V75 L76 I77 T78	V53-I55 HydrophobicContact CG1-CG1 4.22Å; I55-V58 HydrophobicContact CG2-CG2 3.54Å; I55-V62 HydrophobicContact CD1-CG2 4.42Å; I55-V75 HydrophobicContact CD1-CG1 3.67Å; I55-V75 HydrophobicContact CG1-CG1 4.11Å; I55-L76 PolarHBondContact N-O 3.11Å; I55-I77 HydrophobicContact CB-CG1 4.19Å; I55-I77 HydrophobicContact CB-CG2 4.47Å; I55-I77 HydrophobicContact CD1-CG1 4.23Å; I55-I77 HydrophobicContact CG2-CG2 4.41Å; I55-I77 CarbonylContact O-C 3.53Å; I55-I77 VanDerWaalsContact O-CA 3.31Å; I55-I77 WeakPolarHBondContact O-CA 3.48Å; I55-T78 PolarHBondContact O-N 3Å
56	T	47.2	Very low	47.8	Very low	51 Å²	51	85.9 Å²	85.9	31%	0.313	49%	0.492	S	S	.	.			trans	-78.2	-23.7	-170.5	59.2	0	0	0	0	115.1	R34 L54 T78	R34-T56 PolarHBondContact NH2-OG1 3.16Å; L54-T56 HydrophobicContact CD2-CG2 4.31Å; L54-T56 HydrophobicContact CG-CG2 4.34Å; T56-T78 WeakPolarHBondContact CA-OG1 3.4Å; T56-T78 PolarHBondContact O-OG1 3.03Å
57	E	51.7	Low	48.4	Very low	61 Å²	61	81.1 Å²	81.1	29%	0.285	46%	0.457	S	S	.	.			trans	-164.9	122.5	-177.3	-163.6	-179.5	-179	0	0	107.9	K59 E79 K81	E57-K59 HydrophobicContact CG-CG 4.29Å; E57-K59 WeakPolarHBondContact OE1-CE 3.38Å; E57-K59 IonicContact OE1-NZ 2.86Å; E57-K59 PolarHBondContact OE1-NZ 3.47Å; E57-K59 WeakPolarHBondContact OE2-CE 3.32Å; E57-K59 IonicContact OE2-NZ 3.31Å; E57-K59 PolarHBondContact OE2-NZ 3.27Å; E57-E79 WeakPolarHBondContact CA-O 3.43Å; E57-E79 HydrophobicContact CG-CB 4.46Å; E57-K81 VanDerWaalsContact OE1-CE 3.28Å; E57-K81 WeakPolarHBondContact OE1-CE 3.26Å; E57-K81 IonicContact OE1-NZ 2.88Å; E57-K81 PolarHBondContact OE1-NZ 3.41Å
58	V	55.5	Low	48.7	Very low	14 Å²	14	80.3 Å²	80.3	9%	0.085	45%	0.454	C	S	.	.	B	Isolated β-bridge	trans	-100.1	113.4	173.6	-178.9	0	0	0	0	108.3	I55 E60 V62 I77 E79 K81	I55-V58 HydrophobicContact CG2-CG2 3.54Å; V58-E60 VanDerWaalsContact CG1-O 3.32Å; V58-E60 WeakPolarHBondContact CG1-O 3.2Å; V58-V62 HydrophobicContact CG1-CG2 4.42Å; V58-V62 HydrophobicContact CG2-CG2 4.45Å; V58-I77 HydrophobicContact CG2-CD1 4.47Å; V58-I77 HydrophobicContact CG2-CG2 3.6Å; V58-E79 PolarHBondContact N-O 3.24Å; V58-K81 PolarHBondContact O-N 2.95Å
59	K	55.1	Low	49	Very low	124 Å²	124	79 Å²	79	54%	0.539	45%	0.445	S	S	.	.	S	Bend	trans	-108.4	-18.1	177.4	-69.6	-174.7	-176.8	162.7	0	113.9	E57	E57-K59 HydrophobicContact CG-CG 4.29Å; E57-K59 WeakPolarHBondContact OE1-CE 3.38Å; E57-K59 IonicContact OE1-NZ 2.86Å; E57-K59 PolarHBondContact OE1-NZ 3.47Å; E57-K59 WeakPolarHBondContact OE2-CE 3.32Å; E57-K59 IonicContact OE2-NZ 3.31Å; E57-K59 PolarHBondContact OE2-NZ 3.27Å
60	E	52.9	Low	49.4	Very low	140 Å²	140	78.8 Å²	78.8	65%	0.654	45%	0.446	S	S	*	.	S	Bend	trans	-146.8	157.5	-179.1	-69.9	-173.9	-171.7	0	0	107.1	V58 V62	V58-E60 VanDerWaalsContact CG1-O 3.32Å; V58-E60 WeakPolarHBondContact CG1-O 3.2Å; E60-V62 PolarHBondContact O-N 2.92Å
61	P	47.7	Very low	49.7	Very low	62 Å²	62	74.6 Å²	74.6	40%	0.403	41%	0.409	S	S	.	.			trans	-41.4	129.8	170.5	-35.9	39.8	0	0	0	113.3	K63 D88	P61-K63 PolarHBondContact O-N 3.01Å; P61-D88 HydrophobicContact CB-CB 4.31Å; P61-D88 VanDerWaalsContact CB-OD1 3.28Å; P61-D88 WeakPolarHBondContact CB-OD1 3.38Å
62	V	50.1	Low	50.1	Low	24 Å²	24	76 Å²	76	15%	0.145	42%	0.421	C	S	.	.			trans	-70.7	119.2	171.9	-176.5	0	0	0	0	107.2	I55 V58 E60 D66 L67	I55-V62 HydrophobicContact CD1-CG2 4.42Å; V58-V62 HydrophobicContact CG1-CG2 4.42Å; V58-V62 HydrophobicContact CG2-CG2 4.45Å; E60-V62 PolarHBondContact O-N 2.92Å; V62-D66 HydrophobicContact CG1-CB 3.85Å; V62-L67 HydrophobicContact CG1-CD1 3.72Å; V62-L67 HydrophobicContact CG1-CD2 4.39Å; V62-L67 HydrophobicContact CG1-CG 3.74Å
63	K	47.3	Very low	50.2	Low	119 Å²	119	72.4 Å²	72.4	52%	0.517	40%	0.398	S	S	.	.			trans	-91.1	156	-174.7	-66.4	178.7	-175.8	169.3	0	110.5	P61 E65 D66	P61-K63 PolarHBondContact O-N 3.01Å; K63-E65 PolarHBondContact O-N 3.35Å; K63-D66 PolarHBondContact N-OD2 3.14Å; K63-D66 WeakPolarHBondContact O-CB 3.1Å; K63-D66 PolarHBondContact O-N 2.76Å
64	D	41.6	Very low	50.3	Low	108 Å²	108	72.6 Å²	72.6	58%	0.578	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-43.6	-33.1	179.5	-62.7	-7.4	0	0	0	114.7	D66	D64-D66 VanDerWaalsContact C-N 3.26Å; D64-D66 PolarHBondContact O-N 3.16Å
65	E	53	Low	50.6	Low	176 Å²	176	68.2 Å²	68.2	82%	0.822	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-69.5	-21.1	-178.9	-64.6	165.4	-169.7	0	0	113	K63	K63-E65 PolarHBondContact O-N 3.35Å
66	D	52.8	Low	50.4	Low	115 Å²	115	69.3 Å²	69.3	62%	0.615	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-92.6	-18	-174.7	-61.7	-43.5	0	0	0	113.5	V62 K63 D64	V62-D66 HydrophobicContact CG1-CB 3.85Å; K63-D66 PolarHBondContact N-OD2 3.14Å; K63-D66 WeakPolarHBondContact O-CB 3.1Å; K63-D66 PolarHBondContact O-N 2.76Å; D64-D66 VanDerWaalsContact C-N 3.26Å; D64-D66 PolarHBondContact O-N 3.16Å
67	L	50	Low	51	Low	22 Å²	22	67 Å²	67	12%	0.115	37%	0.369	C	S	.	.	S	Bend	trans	-116.7	10.6	-175.8	-68.6	173.2	0	0	0	113.9	V62 P69	V62-L67 HydrophobicContact CG1-CD1 3.72Å; V62-L67 HydrophobicContact CG1-CD2 4.39Å; V62-L67 HydrophobicContact CG1-CG 3.74Å; L67-P69 CarbonylContact O-C 3.52Å
68	S	48.3	Very low	51.1	Low	92 Å²	92	66 Å²	66	64%	0.643	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-100.6	126.4	178.8	-163.5	0	0	0	0	111
69	P	48.4	Very low	51.1	Low	51 Å²	51	67 Å²	67	33%	0.331	37%	0.371	S	S	.	.	S	Bend	cis	-80.3	154.2	3.1	32.3	-34.4	0	0	0	113.6	L67 T71	L67-P69 CarbonylContact O-C 3.52Å; P69-T71 PolarHBondContact O-N 3.16Å
70	P	52	Low	51.2	Low	78 Å²	78	61.3 Å²	61.3	51%	0.506	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-55.3	132.9	-179.4	9.2	-17.7	0	0	0	112.5
71	T	50.2	Low	51.4	Low	13 Å²	13	58.5 Å²	58.5	8%	0.08	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-89.6	135	-176	50	0	0	0	0	112.8	V53 P69 A73	V53-T71 HydrophobicContact CG2-CG2 3.6Å; P69-T71 PolarHBondContact O-N 3.16Å; T71-A73 PolarHBondContact OG1-O 3Å
72	A	50.5	Low	51.8	Low	85 Å²	85	61.1 Å²	61.1	70%	0.702	34%	0.339	S	S	*	.	S	Bend	trans	-81.4	-3.4	171.8	0	0	0	0	0	113
73	A	49	Very low	51.8	Low	10 Å²	10	61.8 Å²	61.8	8%	0.083	34%	0.344	C	S	.	.	S	Bend	trans	-110	152.2	179.9	0	0	0	0	0	110.8	A51 T71	A51-A73 VanDerWaalsContact C-CB 3.4Å; A51-A73 WeakPolarHBondContact O-CB 3.48Å; T71-A73 PolarHBondContact OG1-O 3Å
74	P	50.3	Low	52	Low	49 Å²	49	57.2 Å²	57.2	32%	0.318	33%	0.327	S	S	.	.			trans	-61.7	146.1	-177.6	22.4	-31.5	0	0	0	112.5	P52 V53 P96	P52-P74 WeakPolarHBondContact CA-O 3.27Å; P52-P74 HydrophobicContact CB-CG 4.33Å; P52-P74 WeakPolarHBondContact CB-O 3.44Å; V53-P74 PolarHBondContact N-O 3.45Å; P74-P96 WeakPolarHBondContact CA-O 3.49Å; P74-P96 WeakPolarHBondContact CB-O 3.06Å
75	V	53.7	Low	52.4	Low	4 Å²	4	57 Å²	57	2%	0.024	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	123.4	174.1	-178	0	0	0	0	108	V53 I55 I77 T93 P96 V97 L98	V53-V75 HydrophobicContact CB-CG1 4.42Å; V53-V75 HydrophobicContact CB-CG2 4.41Å; V53-V75 CarbonylContact O-C 3.59Å; I55-V75 HydrophobicContact CD1-CG1 3.67Å; I55-V75 HydrophobicContact CG1-CG1 4.11Å; V75-I77 HydrophobicContact CG1-CG1 4.17Å; V75-T93 HydrophobicContact CG2-CG2 4.22Å; V75-P96 PolarHBondContact N-O 3.34Å; V75-V97 HydrophobicContact CB-CG1 4.46Å; V75-V97 HydrophobicContact CB-CG2 4.45Å; V75-V97 CarbonylContact O-C 3.59Å; V75-V97 WeakPolarHBondContact O-CA 3.31Å; V75-L98 PolarHBondContact O-N 2.96Å
76	L	51.8	Low	52.1	Low	57 Å²	57	50.8 Å²	50.8	30%	0.298	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	108.4	178.8	-155	106.1	0	0	0	109.3	V53 L54 I55 T78 L98 T100	V53-L76 PolarHBondContact O-N 3.03Å; L54-L76 CarbonylContact C-O 3.54Å; L54-L76 WeakPolarHBondContact CA-O 3.31Å; L54-L76 HydrophobicContact CD1-CB 3.97Å; L54-L76 HydrophobicContact CD1-CD2 3.33Å; L54-L76 HydrophobicContact CD1-CG 4.22Å; I55-L76 PolarHBondContact N-O 3.11Å; L76-T78 HydrophobicContact CD2-CG2 4.16Å; L76-L98 CarbonylContact C-O 3.39Å; L76-L98 WeakPolarHBondContact CA-O 3.36Å; L76-L98 HydrophobicContact CD1-CB 3.73Å; L76-L98 HydrophobicContact CD1-CD2 4.25Å; L76-L98 HydrophobicContact CD1-CG 4.4Å; L76-L98 HydrophobicContact CG-CB 4.3Å; L76-T100 HydrophobicContact CD2-CG2 4.22Å; L76-T100 HydrophobicContact CG-CG2 4.36Å
77	I	58.6	Low	52	Low	2 Å²	2	53 Å²	53	1%	0.01	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	115.9	176.8	-53.2	179.7	0	0	0	108.6	I55 V58 V75 V80 V97 L98 I99 T100	I55-I77 HydrophobicContact CB-CG1 4.19Å; I55-I77 HydrophobicContact CB-CG2 4.47Å; I55-I77 HydrophobicContact CD1-CG1 4.23Å; I55-I77 HydrophobicContact CG2-CG2 4.41Å; I55-I77 CarbonylContact O-C 3.53Å; I55-I77 VanDerWaalsContact O-CA 3.31Å; I55-I77 WeakPolarHBondContact O-CA 3.48Å; V58-I77 HydrophobicContact CG2-CD1 4.47Å; V58-I77 HydrophobicContact CG2-CG2 3.6Å; V75-I77 HydrophobicContact CG1-CG1 4.17Å; I77-V80 HydrophobicContact CB-CG2 4.43Å; I77-V80 HydrophobicContact CG2-CG2 3.52Å; I77-V97 HydrophobicContact CD1-CG1 3.74Å; I77-V97 HydrophobicContact CG1-CG1 4.12Å; I77-L98 PolarHBondContact N-O 3.39Å; I77-I99 HydrophobicContact CB-CG1 4.3Å; I77-I99 HydrophobicContact CD1-CG1 4.33Å; I77-I99 CarbonylContact O-C 3.56Å; I77-I99 VanDerWaalsContact O-CA 3.3Å; I77-I99 WeakPolarHBondContact O-CA 3.34Å; I77-T100 PolarHBondContact O-N 3.28Å
78	T	54.8	Low	52	Low	40 Å²	40	53 Å²	53	25%	0.245	30%	0.3	C	S	.	.			trans	-83	-26.7	-173.6	61.5	0	0	0	0	114.9	L54 I55 T56 L76 T100 E101	L54-T78 HydrophobicContact CD1-CG2 3.67Å; I55-T78 PolarHBondContact O-N 3Å; T56-T78 WeakPolarHBondContact CA-OG1 3.4Å; T56-T78 PolarHBondContact O-OG1 3.03Å; L76-T78 HydrophobicContact CD2-CG2 4.16Å; T78-T100 VanDerWaalsContact C-OG1 3.31Å; T78-T100 WeakPolarHBondContact CA-OG1 3.47Å; T78-T100 PolarHBondContact O-OG1 3.41Å; T78-E101 WeakPolarHBondContact O-CB 3.48Å; T78-E101 PolarHBondContact O-N 2.9Å
79	E	55.1	Low	52.1	Low	35 Å²	35	49.8 Å²	49.8	16%	0.164	28%	0.275	C	S	.	.			trans	-150.8	125.3	-179.2	-169.6	-179.5	169.2	0	0	110.2	E57 V58 K81 K103	E57-E79 WeakPolarHBondContact CA-O 3.43Å; E57-E79 HydrophobicContact CG-CB 4.46Å; V58-E79 PolarHBondContact N-O 3.24Å; E79-K81 WeakPolarHBondContact OE1-CE 3.48Å; E79-K81 IonicContact OE1-NZ 2.8Å; E79-K103 HydrophobicContact CG-CD 4.37Å; E79-K103 WeakPolarHBondContact OE1-CD 3.12Å; E79-K103 VanDerWaalsContact OE1-CE 3.25Å; E79-K103 WeakPolarHBondContact OE1-CE 3.26Å; E79-K103 IonicContact OE1-NZ 3.65Å; E79-K103 PolarHBondContact OE1-NZ 3.42Å; E79-K103 IonicContact OE2-NZ 3.97Å
80	V	57.8	Low	52	Low	5 Å²	5	50.2 Å²	50.2	3%	0.03	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-115	119.4	176.6	176.4	0	0	0	0	109.3	I77 E82 V84 I99 E101 K103	I77-V80 HydrophobicContact CB-CG2 4.43Å; I77-V80 HydrophobicContact CG2-CG2 3.52Å; V80-E82 WeakPolarHBondContact CG1-O 3.49Å; V80-V84 HydrophobicContact CG1-CG2 3.94Å; V80-V84 HydrophobicContact CG2-CG2 4.22Å; V80-I99 HydrophobicContact CB-CG2 4.29Å; V80-I99 HydrophobicContact CG2-CD1 4.36Å; V80-I99 HydrophobicContact CG2-CG1 4.44Å; V80-I99 HydrophobicContact CG2-CG2 3.58Å; V80-E101 PolarHBondContact N-O 2.88Å; V80-K103 PolarHBondContact O-N 3.47Å
81	K	57	Low	51.7	Low	81 Å²	81	49.7 Å²	49.7	35%	0.352	28%	0.276	S	S	.	.	S	Bend	trans	-100.4	-19.1	179.9	-73.2	-175.2	174.2	172.1	0	114.5	E57 V58 E79	E57-K81 VanDerWaalsContact OE1-CE 3.28Å; E57-K81 WeakPolarHBondContact OE1-CE 3.26Å; E57-K81 IonicContact OE1-NZ 2.88Å; E57-K81 PolarHBondContact OE1-NZ 3.41Å; V58-K81 PolarHBondContact O-N 2.95Å; E79-K81 WeakPolarHBondContact OE1-CE 3.48Å; E79-K81 IonicContact OE1-NZ 2.8Å
82	E	55.4	Low	51.7	Low	117 Å²	117	53.9 Å²	53.9	55%	0.547	30%	0.303	S	S	.	.	S	Bend	trans	-134	151.5	174.5	-67.1	-168.5	171	0	0	109.1	V80 V84	V80-E82 WeakPolarHBondContact CG1-O 3.49Å; E82-V84 PolarHBondContact O-N 3.22Å
83	P	50.7	Low	51.7	Low	38 Å²	38	50.8 Å²	50.8	25%	0.247	28%	0.276	C	S	.	.			trans	-54.7	127.9	179	-19.4	29	0	0	0	111.5	K85 D110	P83-K85 PolarHBondContact O-N 2.96Å; P83-D110 HydrophobicContact CB-CB 3.95Å
84	V	51.1	Low	51.7	Low	24 Å²	24	55.1 Å²	55.1	15%	0.145	31%	0.311	C	S	.	.			trans	-75.7	115.6	172.5	-178.1	0	0	0	0	107.5	V80 E82 D88 L89	V80-V84 HydrophobicContact CG1-CG2 3.94Å; V80-V84 HydrophobicContact CG2-CG2 4.22Å; E82-V84 PolarHBondContact O-N 3.22Å; V84-D88 HydrophobicContact CG1-CB 4.44Å; V84-L89 HydrophobicContact CG1-CD1 3.81Å; V84-L89 HydrophobicContact CG1-CD2 4.28Å; V84-L89 HydrophobicContact CG1-CG 3.83Å
85	K	50.9	Low	51.6	Low	102 Å²	102	53.1 Å²	53.1	44%	0.443	30%	0.299	S	S	.	.			trans	-87	151.1	175.1	-63.6	178.5	179.7	178.6	0	109.5	P83 E87 D88	P83-K85 PolarHBondContact O-N 2.96Å; K85-E87 HydrophobicContact CB-CB 4.49Å; K85-E87 PolarHBondContact O-N 3.2Å; K85-E87 VanDerWaalsContact O-N 3.16Å; K85-D88 WeakPolarHBondContact CB-OD2 3.5Å; K85-D88 PolarHBondContact N-OD2 3.39Å; K85-D88 WeakPolarHBondContact O-CA 3.32Å; K85-D88 WeakPolarHBondContact O-CB 3.48Å; K85-D88 PolarHBondContact O-N 3.12Å
86	D	45.6	Very low	51.4	Low	47 Å²	47	55.2 Å²	55.2	25%	0.251	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-58.5	-28.5	175.8	-111.5	23.5	0	0	0	113.2	D88 L89 P113 T115	D86-D88 PolarHBondContact O-N 3.26Å; D86-L89 PolarHBondContact O-N 3Å; D86-P113 VanDerWaalsContact OD2-O 3.09Å; D86-T115 WeakPolarHBondContact OD1-CG2 3.45Å
87	E	51.7	Low	51.4	Low	162 Å²	162	52.8 Å²	52.8	76%	0.757	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-59.2	-24.4	171.3	-64	168.3	-176.9	0	0	112.3	K85	K85-E87 HydrophobicContact CB-CB 4.49Å; K85-E87 PolarHBondContact O-N 3.2Å; K85-E87 VanDerWaalsContact O-N 3.16Å
88	D	50.2	Low	51.1	Low	21 Å²	21	54.9 Å²	54.9	11%	0.112	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-91	-4.8	179.2	-44.9	-32.2	0	0	0	112.5	P61 V84 K85 D86	P61-D88 HydrophobicContact CB-CB 4.31Å; P61-D88 VanDerWaalsContact CB-OD1 3.28Å; P61-D88 WeakPolarHBondContact CB-OD1 3.38Å; V84-D88 HydrophobicContact CG1-CB 4.44Å; K85-D88 WeakPolarHBondContact CB-OD2 3.5Å; K85-D88 PolarHBondContact N-OD2 3.39Å; K85-D88 WeakPolarHBondContact O-CA 3.32Å; K85-D88 WeakPolarHBondContact O-CB 3.48Å; K85-D88 PolarHBondContact O-N 3.12Å; D86-D88 PolarHBondContact O-N 3.26Å
89	L	48.7	Very low	51.2	Low	25 Å²	25	53.6 Å²	53.6	13%	0.131	30%	0.303	C	S	.	.	S	Bend	trans	-118.7	28.3	-179.9	-67.4	175.3	0	0	0	112.3	V84 D86 P91	V84-L89 HydrophobicContact CG1-CD1 3.81Å; V84-L89 HydrophobicContact CG1-CD2 4.28Å; V84-L89 HydrophobicContact CG1-CG 3.83Å; D86-L89 PolarHBondContact O-N 3Å; L89-P91 CarbonylContact O-C 3.6Å; L89-P91 VanDerWaalsContact O-O 3.14Å
90	S	46.6	Very low	51.1	Low	60 Å²	60	53.8 Å²	53.8	42%	0.42	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-93.2	130.4	175.6	178.3	0	0	0	0	111
91	P	46.5	Very low	50.9	Low	67 Å²	67	55.1 Å²	55.1	44%	0.435	31%	0.312	S	S	.	.	S	Bend	cis	-78.2	152.1	-0.9	32.1	-33.3	0	0	0	112.4	L89 T93	L89-P91 CarbonylContact O-C 3.6Å; L89-P91 VanDerWaalsContact O-O 3.14Å; P91-T93 PolarHBondContact O-N 3.38Å
92	P	50.7	Low	50.8	Low	100 Å²	100	51.9 Å²	51.9	65%	0.649	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-53.9	126.9	-176.7	18	-30.1	0	0	0	112
93	T	49.8	Very low	50.8	Low	21 Å²	21	50.7 Å²	50.7	13%	0.129	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-69.9	133.5	176.4	51	0	0	0	0	110.3	V75 P91 A95	V75-T93 HydrophobicContact CG2-CG2 4.22Å; P91-T93 PolarHBondContact O-N 3.38Å; T93-A95 PolarHBondContact O-N 3.41Å; T93-A95 PolarHBondContact OG1-O 2.81Å
94	A	48.8	Very low	51	Low	100 Å²	100	54.1 Å²	54.1	83%	0.826	31%	0.305	S	S	*	.	S	Bend	trans	-71.3	-3	173.8	0	0	0	0	0	113.2
95	A	48.4	Very low	50.8	Low	8 Å²	8	56.2 Å²	56.2	7%	0.066	32%	0.319	C	S	.	.	S	Bend	trans	-125.2	151.2	-177.8	0	0	0	0	0	110.7	T93	T93-A95 PolarHBondContact O-N 3.41Å; T93-A95 PolarHBondContact OG1-O 2.81Å
96	P	50.2	Low	50.7	Low	47 Å²	47	52.2 Å²	52.2	31%	0.305	30%	0.303	S	S	.	.			trans	-63.3	147.2	-179.8	23.9	-32.3	0	0	0	112.5	P74 V75 P118	P74-P96 WeakPolarHBondContact CA-O 3.49Å; P74-P96 WeakPolarHBondContact CB-O 3.06Å; V75-P96 PolarHBondContact N-O 3.34Å; P96-P118 WeakPolarHBondContact CA-O 3.33Å; P96-P118 HydrophobicContact CB-CG 4.26Å; P96-P118 VanDerWaalsContact CB-O 3.23Å; P96-P118 WeakPolarHBondContact CB-O 3.43Å
97	V	50.8	Low	50.8	Low	6 Å²	6	55.9 Å²	55.9	4%	0.036	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	121.3	173.4	-178.2	0	0	0	0	108.1	V75 I77 I99 P118 V119 L120	V75-V97 HydrophobicContact CB-CG1 4.46Å; V75-V97 HydrophobicContact CB-CG2 4.45Å; V75-V97 CarbonylContact O-C 3.59Å; V75-V97 WeakPolarHBondContact O-CA 3.31Å; I77-V97 HydrophobicContact CD1-CG1 3.74Å; I77-V97 HydrophobicContact CG1-CG1 4.12Å; V97-I99 HydrophobicContact CG1-CG1 4.31Å; V97-P118 PolarHBondContact N-O 2.95Å; V97-V119 HydrophobicContact CB-CG2 4.43Å; V97-V119 CarbonylContact O-C 3.2Å; V97-V119 WeakPolarHBondContact O-CA 3.31Å; V97-L120 PolarHBondContact O-N 2.88Å
98	L	51.6	Low	50.3	Low	47 Å²	47	52.4 Å²	52.4	25%	0.246	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	115.7	175.2	-101.6	115.9	0	0	0	109.6	V75 L76 I77 L120 T122	V75-L98 PolarHBondContact O-N 2.96Å; L76-L98 CarbonylContact C-O 3.39Å; L76-L98 WeakPolarHBondContact CA-O 3.36Å; L76-L98 HydrophobicContact CD1-CB 3.73Å; L76-L98 HydrophobicContact CD1-CD2 4.25Å; L76-L98 HydrophobicContact CD1-CG 4.4Å; L76-L98 HydrophobicContact CG-CB 4.3Å; I77-L98 PolarHBondContact N-O 3.39Å; L98-L120 CarbonylContact C-O 3.54Å; L98-L120 WeakPolarHBondContact CA-O 3.38Å; L98-L120 HydrophobicContact CD1-CD1 4.35Å; L98-L120 HydrophobicContact CG-CB 4.08Å; L98-L120 HydrophobicContact CG-CD1 4.42Å; L98-T122 HydrophobicContact CD2-CG2 3.74Å
99	I	56.9	Low	50.3	Low	13 Å²	13	59.1 Å²	59.1	7%	0.067	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	118.6	173.8	-57.8	174	0	0	0	108.5	I77 V80 V97 V102 V119 L120 I121 T122	I77-I99 HydrophobicContact CB-CG1 4.3Å; I77-I99 HydrophobicContact CD1-CG1 4.33Å; I77-I99 CarbonylContact O-C 3.56Å; I77-I99 VanDerWaalsContact O-CA 3.3Å; I77-I99 WeakPolarHBondContact O-CA 3.34Å; V80-I99 HydrophobicContact CB-CG2 4.29Å; V80-I99 HydrophobicContact CG2-CD1 4.36Å; V80-I99 HydrophobicContact CG2-CG1 4.44Å; V80-I99 HydrophobicContact CG2-CG2 3.58Å; V97-I99 HydrophobicContact CG1-CG1 4.31Å; I99-V102 HydrophobicContact CG2-CG2 3.6Å; I99-V119 HydrophobicContact CD1-CG1 3.56Å; I99-V119 HydrophobicContact CG1-CG1 4.1Å; I99-L120 PolarHBondContact N-O 3.4Å; I99-I121 HydrophobicContact CB-CG1 4.27Å; I99-I121 HydrophobicContact CD1-CG1 4.42Å; I99-I121 CarbonylContact O-C 3.53Å; I99-I121 VanDerWaalsContact O-CA 3.29Å; I99-I121 WeakPolarHBondContact O-CA 3.3Å; I99-T122 PolarHBondContact O-N 3.03Å
100	T	53.5	Low	50.2	Low	39 Å²	39	59.6 Å²	59.6	24%	0.239	34%	0.337	C	S	.	.			trans	-84.7	-30.6	-175.5	70.3	0	0	0	0	114.9	L76 I77 T78 T122 E123	L76-T100 HydrophobicContact CD2-CG2 4.22Å; L76-T100 HydrophobicContact CG-CG2 4.36Å; I77-T100 PolarHBondContact O-N 3.28Å; T78-T100 VanDerWaalsContact C-OG1 3.31Å; T78-T100 WeakPolarHBondContact CA-OG1 3.47Å; T78-T100 PolarHBondContact O-OG1 3.41Å; T100-T122 WeakPolarHBondContact CA-OG1 3.42Å; T100-T122 PolarHBondContact O-OG1 3.09Å; T100-E123 WeakPolarHBondContact O-CB 3.4Å; T100-E123 PolarHBondContact O-N 3.27Å
101	E	53.2	Low	50.1	Low	33 Å²	33	59.9 Å²	59.9	15%	0.154	33%	0.333	C	S	.	.			trans	-145.7	124.7	179.9	-165.8	-177.5	174.8	0	0	111	T78 V80 K103 K125	T78-E101 WeakPolarHBondContact O-CB 3.48Å; T78-E101 PolarHBondContact O-N 2.9Å; V80-E101 PolarHBondContact N-O 2.88Å; E101-K103 VanDerWaalsContact CD-CE 3.5Å; E101-K103 WeakPolarHBondContact OE1-CE 3.21Å; E101-K103 IonicContact OE1-NZ 3.53Å; E101-K125 WeakPolarHBondContact OE1-CE 3.44Å; E101-K125 IonicContact OE1-NZ 2.93Å; E101-K125 PolarHBondContact OE1-NZ 2.89Å
102	V	56.4	Low	49.7	Very low	13 Å²	13	60.8 Å²	60.8	8%	0.079	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-111.8	122.3	174.3	177.8	0	0	0	0	109.4	I99 E104 V106 I121 E123	I99-V102 HydrophobicContact CG2-CG2 3.6Å; V102-E104 WeakPolarHBondContact CG1-O 3.43Å; V102-V106 HydrophobicContact CG1-CG2 3.89Å; V102-I121 HydrophobicContact CB-CG2 4.48Å; V102-I121 HydrophobicContact CG2-CD1 4.25Å; V102-I121 HydrophobicContact CG2-CG1 4.34Å; V102-I121 HydrophobicContact CG2-CG2 3.68Å; V102-E123 PolarHBondContact N-O 3.38Å
103	K	55.5	Low	49.3	Very low	91 Å²	91	60.2 Å²	60.2	40%	0.396	34%	0.337	S	S	.	.			trans	-100.7	-9.6	-175.8	-70.7	-173.2	178.3	175.1	0	115.3	E79 V80 E101	E79-K103 HydrophobicContact CG-CD 4.37Å; E79-K103 WeakPolarHBondContact OE1-CD 3.12Å; E79-K103 VanDerWaalsContact OE1-CE 3.25Å; E79-K103 WeakPolarHBondContact OE1-CE 3.26Å; E79-K103 IonicContact OE1-NZ 3.65Å; E79-K103 PolarHBondContact OE1-NZ 3.42Å; E79-K103 IonicContact OE2-NZ 3.97Å; V80-K103 PolarHBondContact O-N 3.47Å; E101-K103 VanDerWaalsContact CD-CE 3.5Å; E101-K103 WeakPolarHBondContact OE1-CE 3.21Å; E101-K103 IonicContact OE1-NZ 3.53Å
104	E	53.2	Low	48.9	Very low	111 Å²	111	65 Å²	65	52%	0.519	37%	0.369	S	S	.	.	S	Bend	trans	-132.2	150.3	176.2	-70	-158.6	170.4	0	0	111.3	V102 V106	V102-E104 WeakPolarHBondContact CG1-O 3.43Å; E104-V106 PolarHBondContact O-N 3.32Å
105	P	47	Very low	48.7	Very low	68 Å²	68	62.9 Å²	62.9	44%	0.442	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-63.9	119.4	-179.2	23.7	-32.6	0	0	0	112
106	V	50	Low	48.4	Very low	17 Å²	17	67.3 Å²	67.3	10%	0.103	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-78.9	126.5	171.7	-176.4	0	0	0	0	108.9	V102 E104 D110 L111	V102-V106 HydrophobicContact CG1-CG2 3.89Å; E104-V106 PolarHBondContact O-N 3.32Å; V106-D110 HydrophobicContact CG1-CB 4.5Å; V106-L111 HydrophobicContact CG1-CD1 3.72Å; V106-L111 HydrophobicContact CG1-CD2 4.44Å; V106-L111 HydrophobicContact CG1-CG 3.84Å
107	K	46.7	Very low	48.1	Very low	125 Å²	125	65.9 Å²	65.9	54%	0.543	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-95.1	150.4	176.4	-60.3	175.4	-176.7	170.6	0	110	E109 D110	K107-E109 PolarHBondContact O-N 2.9Å; K107-E109 VanDerWaalsContact O-N 3.11Å; K107-D110 WeakPolarHBondContact CB-OD2 3.47Å; K107-D110 PolarHBondContact N-OD2 3.2Å; K107-D110 WeakPolarHBondContact O-CB 3.35Å; K107-D110 PolarHBondContact O-N 2.73Å
108	D	42.2	Very low	48	Very low	89 Å²	89	69.8 Å²	69.8	48%	0.476	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-56.6	-28.9	178	-67.3	-24.1	0	0	0	113.2	D110 L111 G130	D108-D110 PolarHBondContact O-N 3.41Å; D108-L111 PolarHBondContact O-N 3.08Å; D108-G130 VanDerWaalsContact OD1-C 3.26Å; D108-G130 VanDerWaalsContact OD1-CA 3.24Å; D108-G130 WeakPolarHBondContact OD1-CA 3.31Å; D108-G130 VanDerWaalsContact OD2-CA 3.31Å; D108-G130 WeakPolarHBondContact OD2-CA 3.37Å
109	E	48.9	Very low	47.7	Very low	162 Å²	162	69.8 Å²	69.8	76%	0.757	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-63.1	-24.7	175.2	-65.1	165.6	-170.9	0	0	112.5	K107	K107-E109 PolarHBondContact O-N 2.9Å; K107-E109 VanDerWaalsContact O-N 3.11Å
110	D	46.5	Very low	47.2	Very low	34 Å²	34	72.4 Å²	72.4	18%	0.182	42%	0.415	C	S	.	.	G	3₁₀ helix	trans	-87.7	-12.3	-179.6	-55.2	-46.6	0	0	0	112.4	P83 V106 K107 D108	P83-D110 HydrophobicContact CB-CB 3.95Å; V106-D110 HydrophobicContact CG1-CB 4.5Å; K107-D110 WeakPolarHBondContact CB-OD2 3.47Å; K107-D110 PolarHBondContact N-OD2 3.2Å; K107-D110 WeakPolarHBondContact O-CB 3.35Å; K107-D110 PolarHBondContact O-N 2.73Å; D108-D110 PolarHBondContact O-N 3.41Å
111	L	44.8	Very low	46.9	Very low	66 Å²	66	73.5 Å²	73.5	35%	0.346	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-115.3	21.9	-179	-67.3	173.4	0	0	0	112.8	V106 D108	V106-L111 HydrophobicContact CG1-CD1 3.72Å; V106-L111 HydrophobicContact CG1-CD2 4.44Å; V106-L111 HydrophobicContact CG1-CG 3.84Å; D108-L111 PolarHBondContact O-N 3.08Å
112	S	38.9	Very low	46.6	Very low	87 Å²	87	75.3 Å²	75.3	61%	0.608	43%	0.433	S	S	*	.			trans	-114.6	131.7	179.9	-128.7	0	0	0	0	110.3
113	P	42.9	Very low	46.1	Very low	87 Å²	87	79.8 Å²	79.8	57%	0.565	45%	0.453	S	S	*	.	S	Bend	cis	-88.2	177.1	7.7	11.8	7.3	0	0	0	113.8	D86 T115	D86-P113 VanDerWaalsContact OD2-O 3.09Å; P113-T115 PolarHBondContact O-N 2.68Å
114	P	41.3	Very low	45.6	Very low	123 Å²	123	78.8 Å²	78.8	80%	0.799	45%	0.454	S	S	*	.			trans	-61.6	122.9	-173.6	-17.2	28.7	0	0	0	112.8
115	T	44	Very low	45.2	Very low	55 Å²	55	79.6 Å²	79.6	34%	0.337	46%	0.456	S	S	.	.			trans	-62.7	141.9	167.3	49.7	0	0	0	0	110.7	D86 P113 A117	D86-T115 WeakPolarHBondContact OD1-CG2 3.45Å; P113-T115 PolarHBondContact O-N 2.68Å; T115-A117 WeakPolarHBondContact CB-O 3.44Å; T115-A117 PolarHBondContact O-N 3.34Å; T115-A117 PolarHBondContact OG1-O 3.47Å
116	A	42.2	Very low	44.8	Very low	101 Å²	101	81.8 Å²	81.8	84%	0.835	46%	0.46	S	S	*	.	S	Bend	trans	-67.9	-10.1	176.2	0	0	0	0	0	113.6
117	A	44.1	Very low	44.1	Very low	16 Å²	16	85.8 Å²	85.8	13%	0.132	49%	0.486	C	S	.	.	S	Bend	trans	-131.7	142.5	175.9	0	0	0	0	0	110.5	T115	T115-A117 WeakPolarHBondContact CB-O 3.44Å; T115-A117 PolarHBondContact O-N 3.34Å; T115-A117 PolarHBondContact OG1-O 3.47Å
118	P	47.5	Very low	43.6	Very low	89 Å²	89	82 Å²	82	58%	0.578	47%	0.474	S	S	*	.			trans	-69.8	137.8	-177.5	25.4	-30.8	0	0	0	112.1	P96 V97	P96-P118 WeakPolarHBondContact CA-O 3.33Å; P96-P118 HydrophobicContact CB-CG 4.26Å; P96-P118 VanDerWaalsContact CB-O 3.23Å; P96-P118 WeakPolarHBondContact CB-O 3.43Å; V97-P118 PolarHBondContact N-O 2.95Å
119	V	46.3	Very low	43.2	Very low	47 Å²	47	86.4 Å²	86.4	29%	0.285	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	121.6	166.6	-177.5	0	0	0	0	108.1	V97 I99	V97-V119 HydrophobicContact CB-CG2 4.43Å; V97-V119 CarbonylContact O-C 3.2Å; V97-V119 WeakPolarHBondContact O-CA 3.31Å; I99-V119 HydrophobicContact CD1-CG1 3.56Å; I99-V119 HydrophobicContact CG1-CG1 4.1Å
120	L	45.9	Very low	42.4	Very low	67 Å²	67	79.6 Å²	79.6	35%	0.351	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	117.6	-178.6	-80.6	162	0	0	0	109.7	V97 L98 I99 F138	V97-L120 PolarHBondContact O-N 2.88Å; L98-L120 CarbonylContact C-O 3.54Å; L98-L120 WeakPolarHBondContact CA-O 3.38Å; L98-L120 HydrophobicContact CD1-CD1 4.35Å; L98-L120 HydrophobicContact CG-CB 4.08Å; L98-L120 HydrophobicContact CG-CD1 4.42Å; I99-L120 PolarHBondContact N-O 3.4Å; L120-F138 HydrophobicContact CD2-CE2 4.39Å
121	I	48.7	Very low	41.6	Very low	62 Å²	62	86.5 Å²	86.5	32%	0.318	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	120.4	175.5	-56.2	167.6	0	0	0	108.8	I99 V102 V124	I99-I121 HydrophobicContact CB-CG1 4.27Å; I99-I121 HydrophobicContact CD1-CG1 4.42Å; I99-I121 CarbonylContact O-C 3.53Å; I99-I121 VanDerWaalsContact O-CA 3.29Å; I99-I121 WeakPolarHBondContact O-CA 3.3Å; V102-I121 HydrophobicContact CB-CG2 4.48Å; V102-I121 HydrophobicContact CG2-CD1 4.25Å; V102-I121 HydrophobicContact CG2-CG1 4.34Å; V102-I121 HydrophobicContact CG2-CG2 3.68Å; I121-V124 HydrophobicContact CB-CG2 4.46Å; I121-V124 HydrophobicContact CG2-CG2 3.62Å
122	T	45.2	Very low	40.8	Very low	71 Å²	71	88.1 Å²	88.1	44%	0.436	50%	0.503	S	S	.	.	S	Bend	trans	-93.3	-18.4	-175.3	68.5	0	0	0	0	114.6	L98 I99 T100	L98-T122 HydrophobicContact CD2-CG2 3.74Å; I99-T122 PolarHBondContact O-N 3.03Å; T100-T122 WeakPolarHBondContact CA-OG1 3.42Å; T100-T122 PolarHBondContact O-OG1 3.09Å
123	E	46.1	Very low	40.5	Very low	107 Å²	107	90.7 Å²	90.7	50%	0.5	51%	0.51	S	S	.	.			trans	-147.9	122.6	177.6	-148.6	-179.6	169.3	0	0	110.9	T100 V102	T100-E123 WeakPolarHBondContact O-CB 3.4Å; T100-E123 PolarHBondContact O-N 3.27Å; V102-E123 PolarHBondContact N-O 3.38Å
124	V	45.5	Very low	40.5	Very low	70 Å²	70	92.3 Å²	92.3	42%	0.424	51%	0.51	S	S	.	.	B	Isolated β-bridge	trans	-118.8	113.7	-178.8	173.4	0	0	0	0	108.1	I121 E126 V128	I121-V124 HydrophobicContact CB-CG2 4.46Å; I121-V124 HydrophobicContact CG2-CG2 3.62Å; V124-E126 WeakPolarHBondContact CG1-O 3.38Å; V124-V128 HydrophobicContact CG1-CG2 3.74Å; V124-V128 HydrophobicContact CG2-CG2 4.12Å
125	K	44.6	Very low	41	Very low	128 Å²	128	91.5 Å²	91.5	56%	0.557	50%	0.504	S	S	*	.	S	Bend	trans	-87.5	-12.9	179.7	-75.7	-177.7	176.1	169.6	0	114.5	E101	E101-K125 WeakPolarHBondContact OE1-CE 3.44Å; E101-K125 IonicContact OE1-NZ 2.93Å; E101-K125 PolarHBondContact OE1-NZ 2.89Å
126	E	37.9	Very low	41.5	Very low	115 Å²	115	90.2 Å²	90.2	54%	0.537	50%	0.496	S	S	.	.	S	Bend	trans	-138.4	144.9	175.4	-70.7	-156.4	168	0	0	111.5	V124 V128	V124-E126 WeakPolarHBondContact CG1-O 3.38Å; E126-V128 PolarHBondContact O-N 3.43Å; E126-V128 VanDerWaalsContact O-N 3.16Å
127	P	36.6	Very low	42.3	Very low	100 Å²	100	91.4 Å²	91.4	65%	0.649	48%	0.484	S	S	*	.			trans	-56	120.7	-173.3	21.8	-33	0	0	0	112.6	K129	P127-K129 PolarHBondContact O-N 2.98Å
128	V	36.5	Very low	43.4	Very low	45 Å²	45	94.9 Å²	94.9	27%	0.273	50%	0.496	S	S	.	.			trans	-68	99.4	167.6	-173.7	0	0	0	0	108	V124 E126 G130 F131	V124-V128 HydrophobicContact CG1-CG2 3.74Å; V124-V128 HydrophobicContact CG2-CG2 4.12Å; E126-V128 PolarHBondContact O-N 3.43Å; E126-V128 VanDerWaalsContact O-N 3.16Å; V128-G130 PolarHBondContact O-N 3.11Å; V128-F131 HydrophobicContact CG1-CB 4.32Å
129	K	33.2	Very low	44.5	Very low	183 Å²	183	90.7 Å²	90.7	80%	0.796	47%	0.469	S	S	*	.	S	Bend	trans	-81.5	97.5	168.8	-81.7	-178.3	174.4	177	0	108.3	P127	P127-K129 PolarHBondContact O-N 2.98Å
130	G	31.9	Very low	46.1	Very low	18 Å²	18	89 Å²	89	19%	0.186	46%	0.459	C	S	.	.	S	Bend	trans	155.5	-34.5	178.8	0	0	0	0	0	113.5	D108 V128 V132	D108-G130 VanDerWaalsContact OD1-C 3.26Å; D108-G130 VanDerWaalsContact OD1-CA 3.24Å; D108-G130 WeakPolarHBondContact OD1-CA 3.31Å; D108-G130 VanDerWaalsContact OD2-CA 3.31Å; D108-G130 WeakPolarHBondContact OD2-CA 3.37Å; V128-G130 PolarHBondContact O-N 3.11Å; G130-V132 PolarHBondContact O-N 3.06Å
131	F	29.9	Very low	47.4	Very low	179 Å²	179	89.9 Å²	89.9	79%	0.785	47%	0.467	S	S	*	.			trans	-76.6	62.7	160.7	-100.9	-91.4	0	0	0	110.2	V128	V128-F131 HydrophobicContact CG1-CB 4.32Å
132	V	28.3	Very low	48.5	Very low	101 Å²	101	89.3 Å²	89.3	61%	0.612	47%	0.465	S	S	*	.			trans	-95.7	118.3	176.2	178	0	0	0	0	107.6	G130	G130-V132 PolarHBondContact O-N 3.06Å
133	D	32.5	Very low	50	Low	140 Å²	140	86.5 Å²	86.5	75%	0.749	45%	0.446	S	S	*	.	S	Bend	trans	87.7	24	154.2	-67.1	-19.3	0	0	0	123.4
134	Q	42.6	Very low	51.1	Low	121 Å²	121	83.7 Å²	83.7	57%	0.565	44%	0.435	S	S	*	.			trans	-137.7	58.7	167.9	-66.6	-171.1	-17.2	0	0	117.2	D136 Q137	Q134-D136 PolarHBondContact O-N 3.07Å; Q134-D136 VanDerWaalsContact O-N 3.1Å; Q134-Q137 HydrophobicContact CB-CB 4.23Å; Q134-Q137 HydrophobicContact CB-CG 4.12Å; Q134-Q137 PolarHBondContact O-N 3.21Å; Q134-Q137 VanDerWaalsContact O-N 3.09Å; Q134-Q137 VanDerWaalsContact OE1-OE1 3.05Å
135	P	50.7	Low	51.9	Low	106 Å²	106	82.4 Å²	82.4	69%	0.688	43%	0.431	S	S	*	.	H	α-helix	trans	-55.6	-26.3	168.6	22.2	-31.2	0	0	0	113.2	A139	P135-A139 PolarHBondContact O-N 3.01Å
136	D	56.4	Low	52.8	Low	29 Å²	29	78.8 Å²	78.8	16%	0.155	42%	0.422	C	S	.	.	H	α-helix	trans	-69	-30.5	178.3	-73.6	-21.3	0	0	0	113	Q134 C140 K667 H715	Q134-D136 PolarHBondContact O-N 3.07Å; Q134-D136 VanDerWaalsContact O-N 3.1Å; D136-C140 PolarHBondContact O-SG 3.44Å; D136-K667 IonicContact OD1-NZ 3.56Å; D136-K667 PolarHBondContact OD1-NZ 3.4Å; D136-K667 IonicContact OD2-NZ 2.8Å; D136-K667 PolarHBondContact OD2-NZ 3.35Å; D136-H715 WeakPolarHBondContact CB-O 3.4Å; D136-H715 IonicContact OD1-ND1 2.71Å; D136-H715 PolarHBondContact OD1-ND1 2.94Å
137	Q	58.3	Low	54.3	Low	126 Å²	126	73.7 Å²	73.7	59%	0.589	40%	0.399	S	S	*	.	H	α-helix	trans	-72.4	-36.6	178.8	-79.9	-163.9	-7.6	0	0	113.2	Q134 A139 C140	Q134-Q137 HydrophobicContact CB-CB 4.23Å; Q134-Q137 HydrophobicContact CB-CG 4.12Å; Q134-Q137 PolarHBondContact O-N 3.21Å; Q134-Q137 VanDerWaalsContact O-N 3.09Å; Q134-Q137 VanDerWaalsContact OE1-OE1 3.05Å; Q137-A139 VanDerWaalsContact C-N 3.34Å; Q137-C140 WeakPolarHBondContact O-CB 3.29Å; Q137-C140 PolarHBondContact O-N 3.5Å
138	F	66.4	Low	55.8	Low	88 Å²	88	69.2 Å²	69.2	39%	0.386	37%	0.37	S	S	.	.	H	α-helix	trans	-68.7	-36.4	178.7	-167	-84.3	0	0	0	111.7	L120 C140 V141 D142 A145	L120-F138 HydrophobicContact CD2-CE2 4.39Å; F138-C140 PolarHBondContact O-N 3.21Å; F138-C140 VanDerWaalsContact O-N 3.08Å; F138-V141 PolarHBondContact O-N 3.05Å; F138-D142 VanDerWaalsContact CE1-O 3.3Å; F138-D142 WeakPolarHBondContact CE1-O 3.23Å; F138-D142 PolarHBondContact O-N 2.92Å; F138-D142 VanDerWaalsContact O-N 3.15Å; F138-A145 HydrophobicContact CE1-CB 4.12Å; F138-A145 HydrophobicContact CZ-CB 4.34Å
139	A	71.8	Confident	56.8	Low	2 Å²	2	72.2 Å²	72.2	2%	0.017	38%	0.384	C	S	.	.	H	α-helix	trans	-55.3	-25.8	173.7	0	0	0	0	0	113	P135 Q137 Y143 H715 M723	P135-A139 PolarHBondContact O-N 3.01Å; Q137-A139 VanDerWaalsContact C-N 3.34Å; A139-Y143 HydrophobicContact CB-CD2 3.61Å; A139-Y143 HydrophobicContact CB-CE2 4.08Å; A139-H715 HydrophobicContact CB-CB 3.99Å; A139-M723 WeakPolarHBondContact O-CG 3.48Å
140	C	78.6	Confident	57.8	Low	11 Å²	11	69.8 Å²	69.8	7%	0.074	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-4.9	-179.8	-56.3	0	0	0	0	114.7	D136 Q137 F138 H715 C717 M723	D136-C140 PolarHBondContact O-SG 3.44Å; Q137-C140 WeakPolarHBondContact O-CB 3.29Å; Q137-C140 PolarHBondContact O-N 3.5Å; F138-C140 PolarHBondContact O-N 3.21Å; F138-C140 VanDerWaalsContact O-N 3.08Å; C140-H715 PolarHBondContact SG-O 2.86Å; C140-C717 WeakPolarHBondContact CA-SG 3.42Å; C140-C717 HydrophobicContact CB-CB 3.72Å; C140-C717 WeakPolarHBondContact CB-SG 3.5Å; C140-C717 WeakPolarHBondContact SG-CA 3.17Å; C140-C717 WeakPolarHBondContact SG-CB 3.49Å; C140-C717 CovalentContact SG-SG 2.04Å; C140-C717 PolarHBondContact SG-SG 3.26Å; C140-M723 WeakPolarHBondContact O-CB 3.38Å; C140-M723 WeakPolarHBondContact O-CG 3.34Å; C140-M723 PolarHBondContact O-N 3.44Å
141	V	74	Confident	58.7	Low	86 Å²	86	72.1 Å²	72.1	52%	0.521	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-52	178.4	-177.4	0	0	0	0	111	F138 K722	F138-V141 PolarHBondContact O-N 3.05Å; V141-K722 WeakPolarHBondContact O-CD 3.49Å
142	D	71.4	Confident	59.5	Low	50 Å²	50	66.8 Å²	66.8	27%	0.267	36%	0.359	S	S	.	.			trans	-154.3	94.5	178.2	-163.9	-28.5	0	0	0	111	F138 L144 A145 S146 N702	F138-D142 VanDerWaalsContact CE1-O 3.3Å; F138-D142 WeakPolarHBondContact CE1-O 3.23Å; F138-D142 PolarHBondContact O-N 2.92Å; F138-D142 VanDerWaalsContact O-N 3.15Å; D142-L144 PolarHBondContact OD1-N 2.98Å; D142-A145 HydrophobicContact CB-CB 4Å; D142-A145 PolarHBondContact OD1-N 3.19Å; D142-A145 VanDerWaalsContact OD1-N 3.08Å; D142-S146 PolarHBondContact O-N 3.02Å; D142-N702 PolarHBondContact OD1-ND2 3.14Å
143	Y	77.4	Confident	59.9	Low	11 Å²	11	68.6 Å²	68.6	4%	0.043	36%	0.363	C	S	.	.	H	α-helix	trans	-71.1	-31.9	-177.5	-169.5	-107.1	0	0	0	113.2	A139 S146 S147 F670 S671 A674 N702 L705 F711 H715	A139-Y143 HydrophobicContact CB-CD2 3.61Å; A139-Y143 HydrophobicContact CB-CE2 4.08Å; Y143-S146 PolarHBondContact O-OG 2.79Å; Y143-S147 VanDerWaalsContact CE1-OG 3.3Å; Y143-S147 WeakPolarHBondContact CE1-OG 3.47Å; Y143-S147 VanDerWaalsContact O-CB 3.27Å; Y143-S147 WeakPolarHBondContact O-CB 3.4Å; Y143-S147 PolarHBondContact O-N 2.97Å; Y143-S147 PolarHBondContact O-OG 2.82Å; Y143-F670 HydrophobicContact CE1-CB 4.33Å; Y143-F670 VanDerWaalsContact OH-C 3.31Å; Y143-S671 WeakPolarHBondContact OH-CA 3.16Å; Y143-S671 PolarHBondContact OH-N 2.94Å; Y143-A674 HydrophobicContact CD1-CB 3.74Å; Y143-A674 HydrophobicContact CE1-CB 3.52Å; Y143-N702 PolarHBondContact N-OD1 3.26Å; Y143-L705 HydrophobicContact CD1-CD1 3.34Å; Y143-L705 HydrophobicContact CE1-CD1 3.91Å; Y143-L705 HydrophobicContact CG-CD1 4Å; Y143-F711 HydrophobicContact CD1-CE2 4.09Å; Y143-F711 HydrophobicContact CD1-CZ 4.4Å; Y143-F711 AromaticContact CD2-CE2 3.73Å; Y143-F711 HydrophobicContact CD2-CE2 3.73Å; Y143-F711 AromaticContact CD2-CZ 3.67Å; Y143-F711 HydrophobicContact CD2-CZ 3.67Å; Y143-F711 HydrophobicContact CE1-CE2 4.18Å; Y143-F711 AromaticContact CE2-CE2 3.84Å; Y143-F711 HydrophobicContact CE2-CE2 3.84Å; Y143-F711 HydrophobicContact CE2-CZ 4.21Å; Y143-F711 AromaticContact CG-CE2 3.84Å; Y143-F711 HydrophobicContact CG-CE2 3.84Å; Y143-F711 AromaticContact CG-CZ 3.76Å; Y143-F711 HydrophobicContact CG-CZ 3.76Å; Y143-H715 AromaticContact CE2-CE1 3.72Å; Y143-H715 AromaticContact CE2-NE2 3.62Å
144	L	69.5	Low	59.8	Low	48 Å²	48	68.7 Å²	68.7	25%	0.251	36%	0.364	S	S	.	.	H	α-helix	trans	-66.4	-44.1	178.4	-172.7	72.8	0	0	0	110.5	D142 S146 S147 C148 V701 N702	D142-L144 PolarHBondContact OD1-N 2.98Å; L144-S146 VanDerWaalsContact C-N 3.32Å; L144-S146 PolarHBondContact O-N 3.29Å; L144-S147 PolarHBondContact O-N 3.34Å; L144-C148 WeakPolarHBondContact CD1-SG 3.25Å; L144-C148 WeakPolarHBondContact O-CB 3.32Å; L144-C148 PolarHBondContact O-N 3.4Å; L144-C148 PolarHBondContact O-SG 3.42Å; L144-V701 HydrophobicContact CD1-CB 3.87Å; L144-V701 HydrophobicContact CD1-CG2 3.64Å; L144-N702 PolarHBondContact N-OD1 3.14Å
145	A	61.7	Low	59	Low	43 Å²	43	65.8 Å²	65.8	36%	0.355	37%	0.367	S	S	.	.	H	α-helix	trans	-59.9	-40.7	178.6	0	0	0	0	0	112.3	F138 D142	F138-A145 HydrophobicContact CE1-CB 4.12Å; F138-A145 HydrophobicContact CZ-CB 4.34Å; D142-A145 HydrophobicContact CB-CB 4Å; D142-A145 PolarHBondContact OD1-N 3.19Å; D142-A145 VanDerWaalsContact OD1-N 3.08Å
146	S	63.4	Low	58	Low	52 Å²	52	64.7 Å²	64.7	36%	0.364	37%	0.366	S	S	.	.	H	α-helix	trans	-71.6	-38.8	175.4	50.3	0	0	0	0	112.9	D142 Y143 L144	D142-S146 PolarHBondContact O-N 3.02Å; Y143-S146 PolarHBondContact O-OG 2.79Å; L144-S146 VanDerWaalsContact C-N 3.32Å; L144-S146 PolarHBondContact O-N 3.29Å
147	S	68.8	Low	56.5	Low	9 Å²	9	64.8 Å²	64.8	6%	0.063	37%	0.371	C	S	.	.	H	α-helix	trans	-78.9	-30.1	-172.8	-59.3	0	0	0	0	113.6	Y143 L144	Y143-S147 VanDerWaalsContact CE1-OG 3.3Å; Y143-S147 WeakPolarHBondContact CE1-OG 3.47Å; Y143-S147 VanDerWaalsContact O-CB 3.27Å; Y143-S147 WeakPolarHBondContact O-CB 3.4Å; Y143-S147 PolarHBondContact O-N 2.97Å; Y143-S147 PolarHBondContact O-OG 2.82Å; L144-S147 PolarHBondContact O-N 3.34Å
148	C	68.3	Low	55.2	Low	6 Å²	6	63.4 Å²	63.4	4%	0.041	38%	0.375	C	S	.	.	H	α-helix	trans	-90.1	-12.8	-177.2	-60.6	0	0	0	0	114.6	L144 E150 Q151 F152 C678	L144-C148 WeakPolarHBondContact CD1-SG 3.25Å; L144-C148 WeakPolarHBondContact O-CB 3.32Å; L144-C148 PolarHBondContact O-N 3.4Å; L144-C148 PolarHBondContact O-SG 3.42Å; C148-E150 VanDerWaalsContact C-N 3.29Å; C148-E150 PolarHBondContact O-N 3.31Å; C148-Q151 PolarHBondContact O-N 2.88Å; C148-Q151 VanDerWaalsContact O-N 3.12Å; C148-F152 HydrophobicContact CB-CD2 4.25Å; C148-F152 HydrophobicContact CB-CE2 3.5Å; C148-F152 HydrophobicContact CB-CZ 3.94Å; C148-F152 VanDerWaalsContact O-CD2 3.23Å; C148-F152 WeakPolarHBondContact O-CD2 3.28Å; C148-C678 WeakPolarHBondContact CA-SG 3.3Å; C148-C678 HydrophobicContact CB-CB 3.87Å; C148-C678 WeakPolarHBondContact CB-SG 3.29Å; C148-C678 WeakPolarHBondContact SG-CB 3.44Å; C148-C678 CovalentContact SG-SG 2.02Å; C148-C678 PolarHBondContact SG-SG 2.95Å
149	L	58.7	Low	53.6	Low	108 Å²	108	66.2 Å²	66.2	57%	0.565	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-39.8	-170.9	-159.2	74.3	0	0	0	112.6
150	E	52.4	Low	52	Low	132 Å²	132	70 Å²	70	62%	0.617	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-37.7	178.3	-67.8	-179.9	156.7	0	0	113	C148 F152 I153 K675	C148-E150 VanDerWaalsContact C-N 3.29Å; C148-E150 PolarHBondContact O-N 3.31Å; E150-F152 VanDerWaalsContact C-N 3.27Å; E150-F152 PolarHBondContact O-N 3.01Å; E150-I153 PolarHBondContact O-N 3.48Å; E150-K675 IonicContact OE2-NZ 3.23Å; E150-K675 PolarHBondContact OE2-NZ 3.38Å
151	Q	52.6	Low	50.4	Low	67 Å²	67	72.9 Å²	72.9	31%	0.313	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-24	-174.5	-82.3	-170.3	-6	0	0	113.6	C148 I153 K675	C148-Q151 PolarHBondContact O-N 2.88Å; C148-Q151 VanDerWaalsContact O-N 3.12Å; Q151-I153 PolarHBondContact O-N 3.08Å; Q151-K675 PolarHBondContact NE2-O 2.85Å; Q151-K675 PolarHBondContact OE1-O 3.29Å; Q151-K675 VanDerWaalsContact OE1-O 3.11Å
152	F	45.7	Very low	49.5	Very low	67 Å²	67	70.9 Å²	70.9	29%	0.294	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-8.9	179.6	-62.5	-46.3	0	0	0	113.7	C148 E150 A157 R680	C148-F152 HydrophobicContact CB-CD2 4.25Å; C148-F152 HydrophobicContact CB-CE2 3.5Å; C148-F152 HydrophobicContact CB-CZ 3.94Å; C148-F152 VanDerWaalsContact O-CD2 3.23Å; C148-F152 WeakPolarHBondContact O-CD2 3.28Å; E150-F152 VanDerWaalsContact C-N 3.27Å; E150-F152 PolarHBondContact O-N 3.01Å; F152-A157 HydrophobicContact CD1-CB 4.3Å; F152-A157 HydrophobicContact CE1-CB 4.22Å; F152-R680 VanDerWaalsContact CD1-CD 3.47Å; F152-R680 HydrophobicContact CD1-CG 3.52Å; F152-R680 HydrophobicContact CE1-CG 3.18Å; F152-R680 HydrophobicContact CZ-CG 3.98Å
153	I	36.1	Very low	49.2	Very low	139 Å²	139	69.3 Å²	69.3	71%	0.713	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-30.1	176.8	-57.7	175.9	0	0	0	110.8	E150 Q151	E150-I153 PolarHBondContact O-N 3.48Å; Q151-I153 PolarHBondContact O-N 3.08Å
154	D	30.6	Very low	49.1	Very low	141 Å²	141	73.3 Å²	73.3	75%	0.754	44%	0.443	S	S	*	.	S	Bend	trans	-95.7	9.9	-174.7	-83.9	-15.4	0	0	0	115.4	A156	D154-A156 PolarHBondContact O-N 3.45Å
155	G	27.3	Very low	49.7	Very low	61 Å²	61	74.3 Å²	74.3	63%	0.629	45%	0.448	S	S	*	.	S	Bend	trans	64.1	1.9	173	0	0	0	0	0	116.1	A157	G155-A157 VanDerWaalsContact C-N 3.25Å; G155-A157 PolarHBondContact O-N 2.83Å
156	A	27.9	Very low	50.8	Low	82 Å²	82	77.2 Å²	77.2	68%	0.678	46%	0.458	S	S	*	.			trans	-78.1	-2.3	-172.4	0	0	0	0	0	114.8	D154 S158	D154-A156 PolarHBondContact O-N 3.45Å; A156-S158 PolarHBondContact O-N 3.34Å
157	A	26.7	Very low	51.9	Low	32 Å²	32	77.3 Å²	77.3	26%	0.264	45%	0.452	S	S	.	.			trans	-95.7	70.3	179.6	0	0	0	0	0	111.2	F152 G155	F152-A157 HydrophobicContact CD1-CB 4.3Å; F152-A157 HydrophobicContact CE1-CB 4.22Å; G155-A157 VanDerWaalsContact C-N 3.25Å; G155-A157 PolarHBondContact O-N 2.83Å
158	S	28.9	Very low	52.8	Low	96 Å²	96	76.9 Å²	76.9	67%	0.671	45%	0.449	S	S	*	.			trans	-146.3	121.3	165.6	63.1	0	0	0	0	113.3	A156	A156-S158 PolarHBondContact O-N 3.34Å
159	H	33.9	Very low	53.7	Low	147 Å²	147	79 Å²	79	68%	0.681	46%	0.459	S	S	*	.			trans	85.6	114.7	168.1	-86.6	-73.1	0	0	0	119.4	T161 G162	H159-T161 PolarHBondContact O-N 3.35Å; H159-G162 PolarHBondContact O-N 2.83Å
160	P	38.8	Very low	55.2	Low	83 Å²	83	79.1 Å²	79.1	54%	0.539	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	10.3	171.4	-16.5	29.6	0	0	0	115.4
161	T	44.9	Very low	57.1	Low	70 Å²	70	73.7 Å²	73.7	43%	0.429	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117	12.4	-176.6	53.6	0	0	0	0	113.5	H159 V163	H159-T161 PolarHBondContact O-N 3.35Å; T161-V163 VanDerWaalsContact C-N 3.33Å; T161-V163 PolarHBondContact O-N 3.36Å
162	G	53.9	Low	59	Low	45 Å²	45	70.6 Å²	70.6	46%	0.464	42%	0.421	S	S	.	.			trans	66.7	6.6	141.7	0	0	0	0	0	120.4	H159	H159-G162 PolarHBondContact O-N 2.83Å
163	V	65.9	Low	61	Low	16 Å²	16	72.4 Å²	72.4	10%	0.097	43%	0.433	C	S	.	.			trans	-128.6	124	174.9	-172.8	0	0	0	0	110.5	T161 F167 I168 K423 I430 F543	T161-V163 VanDerWaalsContact C-N 3.33Å; T161-V163 PolarHBondContact O-N 3.36Å; V163-F167 HydrophobicContact CG1-CD1 3.46Å; V163-F167 VanDerWaalsContact CG1-CD1 3.46Å; V163-F167 HydrophobicContact CG1-CE1 4.07Å; V163-F167 HydrophobicContact CG1-CG 4.34Å; V163-I168 HydrophobicContact CG1-CD1 3.56Å; V163-I168 HydrophobicContact CG1-CG1 3.95Å; V163-K423 VanDerWaalsContact O-CE 3.28Å; V163-K423 WeakPolarHBondContact O-CE 3.43Å; V163-K423 PolarHBondContact O-NZ 3.43Å; V163-I430 HydrophobicContact CG1-CG2 4.33Å; V163-F543 HydrophobicContact CG2-CD1 4.49Å; V163-F543 HydrophobicContact CG2-CD2 4.1Å; V163-F543 HydrophobicContact CG2-CE1 4.34Å; V163-F543 HydrophobicContact CG2-CE2 3.89Å; V163-F543 HydrophobicContact CG2-CG 4.39Å; V163-F543 HydrophobicContact CG2-CZ 4.05Å
164	D	75	Confident	63.3	Low	96 Å²	96	68.7 Å²	68.7	51%	0.513	42%	0.415	S	S	.	.			trans	-65.4	142.6	-180	176.8	75.2	0	0	0	112.4	D166 F167 I168	D164-D166 WeakPolarHBondContact OD2-CA 3.29Å; D164-D166 VanDerWaalsContact OD2-CB 3.22Å; D164-D166 WeakPolarHBondContact OD2-CB 3.34Å; D164-D166 PolarHBondContact OD2-N 2.7Å; D164-F167 HydrophobicContact CB-CB 4.31Å; D164-F167 PolarHBondContact O-N 2.72Å; D164-F167 PolarHBondContact OD2-N 3.05Å; D164-F167 VanDerWaalsContact OD2-N 3.1Å; D164-I168 PolarHBondContact O-N 3.33Å
165	D	83.1	Confident	65.5	Low	69 Å²	69	65.4 Å²	65.4	37%	0.369	40%	0.4	S	S	.	.	H	α-helix	trans	-65.3	-38.9	-178	-77.9	-3	0	0	0	111.8	F167 I168 I169 I419 K423	D165-F167 VanDerWaalsContact C-N 3.31Å; D165-F167 PolarHBondContact O-N 3.02Å; D165-I168 PolarHBondContact O-N 2.89Å; D165-I168 VanDerWaalsContact O-N 3.14Å; D165-I169 VanDerWaalsContact O-CG1 3.32Å; D165-I169 WeakPolarHBondContact O-CG1 3.21Å; D165-I169 PolarHBondContact O-N 3.46Å; D165-I419 HydrophobicContact CB-CG2 4.24Å; D165-I419 WeakPolarHBondContact OD1-CG2 3.47Å; D165-K423 WeakPolarHBondContact OD1-CE 3.41Å; D165-K423 IonicContact OD1-NZ 2.76Å; D165-K423 PolarHBondContact OD1-NZ 2.83Å
166	D	83.8	Confident	68	Low	103 Å²	103	68.5 Å²	68.5	55%	0.551	40%	0.403	S	S	*	.	H	α-helix	trans	-67.5	-35.1	179.5	-64.9	-26.8	0	0	0	110.9	D164 I169 N170	D164-D166 WeakPolarHBondContact OD2-CA 3.29Å; D164-D166 VanDerWaalsContact OD2-CB 3.22Å; D164-D166 WeakPolarHBondContact OD2-CB 3.34Å; D164-D166 PolarHBondContact OD2-N 2.7Å; D166-I169 PolarHBondContact O-N 3.02Å; D166-N170 VanDerWaalsContact O-CB 3.31Å; D166-N170 WeakPolarHBondContact O-CB 3.39Å; D166-N170 VanDerWaalsContact O-CG 3.24Å; D166-N170 PolarHBondContact O-N 3.03Å; D166-N170 PolarHBondContact O-ND2 2.84Å
167	F	86.3	Confident	70.6	Confident	55 Å²	55	67.8 Å²	67.8	24%	0.241	39%	0.387	C	S	.	.	H	α-helix	trans	-58.2	-47.9	170.6	170.8	-92.1	0	0	0	111.4	V163 D164 D165 N170 L171 I430 H434	V163-F167 HydrophobicContact CG1-CD1 3.46Å; V163-F167 VanDerWaalsContact CG1-CD1 3.46Å; V163-F167 HydrophobicContact CG1-CE1 4.07Å; V163-F167 HydrophobicContact CG1-CG 4.34Å; D164-F167 HydrophobicContact CB-CB 4.31Å; D164-F167 PolarHBondContact O-N 2.72Å; D164-F167 PolarHBondContact OD2-N 3.05Å; D164-F167 VanDerWaalsContact OD2-N 3.1Å; D165-F167 VanDerWaalsContact C-N 3.31Å; D165-F167 PolarHBondContact O-N 3.02Å; F167-N170 PolarHBondContact O-N 3.13Å; F167-L171 HydrophobicContact CE1-CB 4.38Å; F167-L171 HydrophobicContact CE1-CD2 3.78Å; F167-L171 HydrophobicContact CZ-CB 4.44Å; F167-L171 HydrophobicContact CZ-CD2 3.94Å; F167-L171 VanDerWaalsContact O-CB 3.25Å; F167-L171 WeakPolarHBondContact O-CB 3.32Å; F167-L171 PolarHBondContact O-N 2.83Å; F167-I430 HydrophobicContact CE1-CG2 4.26Å; F167-H434 AromaticContact CD1-CD2 3.58Å; F167-H434 HydrophobicContact CE1-CB 4.04Å; F167-H434 AromaticContact CE1-CD2 3.43Å; F167-H434 VanDerWaalsContact CE1-CD2 3.43Å; F167-H434 WeakPolarHBondContact CE1-CD2 3.41Å; F167-H434 AromaticContact CG-CD2 4Å; F167-H434 HydrophobicContact CZ-CB 3.9Å; F167-H434 AromaticContact CZ-CD2 3.71Å
168	I	87.4	Confident	73.2	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-63.1	-45.6	179.7	-59.9	-61.2	0	0	0	110.8	V163 D164 D165 N170 L171 M172 I419 V422 K423 I430	V163-I168 HydrophobicContact CG1-CD1 3.56Å; V163-I168 HydrophobicContact CG1-CG1 3.95Å; D164-I168 PolarHBondContact O-N 3.33Å; D165-I168 PolarHBondContact O-N 2.89Å; D165-I168 VanDerWaalsContact O-N 3.14Å; I168-N170 VanDerWaalsContact C-N 3.34Å; I168-N170 PolarHBondContact O-N 2.88Å; I168-L171 PolarHBondContact O-N 2.96Å; I168-M172 HydrophobicContact CG2-CG 4.04Å; I168-M172 VanDerWaalsContact O-CG 3.29Å; I168-M172 WeakPolarHBondContact O-CG 3.19Å; I168-M172 PolarHBondContact O-N 2.89Å; I168-I419 HydrophobicContact CB-CD1 4.49Å; I168-I419 HydrophobicContact CB-CG2 4.12Å; I168-I419 HydrophobicContact CG1-CG2 4.33Å; I168-I419 HydrophobicContact CG2-CD1 4.02Å; I168-I419 HydrophobicContact CG2-CG2 4.13Å; I168-V422 HydrophobicContact CG2-CG1 4.09Å; I168-K423 HydrophobicContact CD1-CG 4.41Å; I168-K423 HydrophobicContact CG1-CG 4.19Å; I168-I430 HydrophobicContact CD1-CB 4.33Å; I168-I430 HydrophobicContact CD1-CD1 3.87Å; I168-I430 HydrophobicContact CD1-CG1 4.01Å; I168-I430 HydrophobicContact CD1-CG2 3.36Å
169	I	88.8	Confident	76	Confident	51 Å²	51	73.2 Å²	73.2	26%	0.262	41%	0.409	S	S	.	.	H	α-helix	trans	-58.2	-48.8	178.7	-68.6	164.6	0	0	0	110.4	D165 D166 L171 M172 N173 I419	D165-I169 VanDerWaalsContact O-CG1 3.32Å; D165-I169 WeakPolarHBondContact O-CG1 3.21Å; D165-I169 PolarHBondContact O-N 3.46Å; D166-I169 PolarHBondContact O-N 3.02Å; I169-L171 VanDerWaalsContact C-N 3.32Å; I169-L171 PolarHBondContact O-N 2.93Å; I169-M172 PolarHBondContact O-N 3.03Å; I169-N173 WeakPolarHBondContact O-CB 3.37Å; I169-N173 PolarHBondContact O-N 3.1Å; I169-N173 PolarHBondContact O-ND2 3.47Å; I169-N173 VanDerWaalsContact O-ND2 3.12Å; I169-I419 HydrophobicContact CD1-CD1 4.33Å; I169-I419 HydrophobicContact CG1-CD1 3.52Å; I169-I419 HydrophobicContact CG1-CG1 4.2Å
170	N	90	Very high	78.6	Confident	110 Å²	110	67.4 Å²	67.4	59%	0.588	38%	0.383	S	S	*	.	H	α-helix	trans	-63.9	-38.2	178.5	-73.2	-42.6	0	0	0	112.1	D166 F167 I168 N174	D166-N170 VanDerWaalsContact O-CB 3.31Å; D166-N170 WeakPolarHBondContact O-CB 3.39Å; D166-N170 VanDerWaalsContact O-CG 3.24Å; D166-N170 PolarHBondContact O-N 3.03Å; D166-N170 PolarHBondContact O-ND2 2.84Å; F167-N170 PolarHBondContact O-N 3.13Å; I168-N170 VanDerWaalsContact C-N 3.34Å; I168-N170 PolarHBondContact O-N 2.88Å; N170-N174 WeakPolarHBondContact O-CB 3.29Å; N170-N174 PolarHBondContact O-N 2.76Å
171	L	90.7	Very high	81	Confident	18 Å²	18	67.6 Å²	67.6	9%	0.094	39%	0.386	C	S	.	.	H	α-helix	trans	-65	-48.4	176.9	-179.5	62.9	0	0	0	111.3	F167 I168 I169 N173 N174 F183 Y433	F167-L171 HydrophobicContact CE1-CB 4.38Å; F167-L171 HydrophobicContact CE1-CD2 3.78Å; F167-L171 HydrophobicContact CZ-CB 4.44Å; F167-L171 HydrophobicContact CZ-CD2 3.94Å; F167-L171 VanDerWaalsContact O-CB 3.25Å; F167-L171 WeakPolarHBondContact O-CB 3.32Å; F167-L171 PolarHBondContact O-N 2.83Å; I168-L171 PolarHBondContact O-N 2.96Å; I169-L171 VanDerWaalsContact C-N 3.32Å; I169-L171 PolarHBondContact O-N 2.93Å; L171-N173 VanDerWaalsContact C-N 3.33Å; L171-N173 PolarHBondContact O-N 2.99Å; L171-N174 WeakPolarHBondContact O-CB 3.23Å; L171-N174 PolarHBondContact O-N 3.29Å; L171-N174 VanDerWaalsContact O-N 3.11Å; L171-F183 HydrophobicContact CD1-CE2 3.69Å; L171-F183 HydrophobicContact CD1-CZ 4.07Å; L171-F183 HydrophobicContact CD2-CE2 4.38Å; L171-F183 HydrophobicContact CG-CE2 3.81Å; L171-F183 HydrophobicContact CG-CZ 4.36Å; L171-F183 WeakPolarHBondContact O-CZ 3.4Å; L171-Y433 HydrophobicContact CD1-CD1 4.45Å; L171-Y433 HydrophobicContact CD1-CG 4.02Å
172	M	92.6	Very high	83.1	Confident	2 Å²	2	66.6 Å²	66.6	1%	0.01	38%	0.375	C	S	.	.	H	α-helix	trans	-70.1	-28.5	-177.9	-62.9	-61.1	130.5	0	0	113.1	I168 I169 N174 A186 V187 Y190 V422 I430	I168-M172 HydrophobicContact CG2-CG 4.04Å; I168-M172 VanDerWaalsContact O-CG 3.29Å; I168-M172 WeakPolarHBondContact O-CG 3.19Å; I168-M172 PolarHBondContact O-N 2.89Å; I169-M172 PolarHBondContact O-N 3.03Å; M172-N174 VanDerWaalsContact C-N 3.26Å; M172-A186 HydrophobicContact CE-CB 4.11Å; M172-A186 HydrophobicContact SD-CB 3.89Å; M172-V187 HydrophobicContact SD-CG2 4.4Å; M172-Y190 HydrophobicContact CB-CD1 3.31Å; M172-Y190 HydrophobicContact CB-CD2 4.22Å; M172-Y190 HydrophobicContact CB-CE1 3.79Å; M172-Y190 HydrophobicContact CB-CG 3.53Å; M172-Y190 HydrophobicContact CG-CD1 4.11Å; M172-Y190 HydrophobicContact CG-CD2 4.19Å; M172-Y190 HydrophobicContact CG-CG 3.77Å; M172-V422 HydrophobicContact CE-CG1 4.01Å; M172-V422 HydrophobicContact CG-CG1 4.27Å; M172-V422 HydrophobicContact SD-CG1 4Å; M172-I430 HydrophobicContact CE-CG1 4.08Å
173	N	89.4	Confident	84.9	Confident	104 Å²	104	64.5 Å²	64.5	56%	0.556	35%	0.352	S	S	*	.	H	α-helix	trans	-76.6	-13.4	173	-73.8	-34.8	0	0	0	113.3	I169 L171	I169-N173 WeakPolarHBondContact O-CB 3.37Å; I169-N173 PolarHBondContact O-N 3.1Å; I169-N173 PolarHBondContact O-ND2 3.47Å; I169-N173 VanDerWaalsContact O-ND2 3.12Å; L171-N173 VanDerWaalsContact C-N 3.33Å; L171-N173 PolarHBondContact O-N 2.99Å
174	N	83.4	Confident	86.1	Confident	62 Å²	62	65.8 Å²	65.8	33%	0.332	36%	0.358	S	S	.	.			trans	-93.5	102.8	-178.8	-174.1	-10.9	0	0	0	111	N170 L171 M172 N176 F183	N170-N174 WeakPolarHBondContact O-CB 3.29Å; N170-N174 PolarHBondContact O-N 2.76Å; L171-N174 WeakPolarHBondContact O-CB 3.23Å; L171-N174 PolarHBondContact O-N 3.29Å; L171-N174 VanDerWaalsContact O-N 3.11Å; M172-N174 VanDerWaalsContact C-N 3.26Å; N174-N176 VanDerWaalsContact C-N 3.3Å; N174-N176 PolarHBondContact O-N 3.27Å; N174-N176 WeakPolarHBondContact OD1-CB 2.86Å; N174-N176 PolarHBondContact OD1-N 2.95Å; N174-N176 VanDerWaalsContact OD1-N 3.11Å; N174-N176 PolarHBondContact OD1-ND2 3.03Å; N174-N176 PolarHBondContact OD1-OD1 2.86Å; N174-F183 WeakPolarHBondContact O-CE1 3.34Å; N174-F183 WeakPolarHBondContact O-CZ 3.47Å
175	T	77.1	Confident	87	Confident	72 Å²	72	62.4 Å²	62.4	44%	0.442	34%	0.342	S	S	.	.			trans	-90.6	21.2	-179	49.3	0	0	0	0	113.8	N177 V187	T175-N177 PolarHBondContact O-N 3.47Å; T175-N177 VanDerWaalsContact O-N 3.14Å; T175-V187 HydrophobicContact CG2-CG1 4.39Å
176	N	80.5	Confident	87.5	Confident	126 Å²	126	59.1 Å²	59.1	67%	0.674	32%	0.324	S	S	*	.			trans	-70.5	-6.5	-175.3	-69.4	-13.6	0	0	0	115.2	N174 P178	N174-N176 VanDerWaalsContact C-N 3.3Å; N174-N176 PolarHBondContact O-N 3.27Å; N174-N176 WeakPolarHBondContact OD1-CB 2.86Å; N174-N176 PolarHBondContact OD1-N 2.95Å; N174-N176 VanDerWaalsContact OD1-N 3.11Å; N174-N176 PolarHBondContact OD1-ND2 3.03Å; N174-N176 PolarHBondContact OD1-OD1 2.86Å; N176-P178 WeakPolarHBondContact O-CD 3.31Å
177	N	81.4	Confident	88	Confident	66 Å²	66	54.2 Å²	54.2	35%	0.353	30%	0.298	S	S	.	.			trans	-119.5	59.9	178.6	-58	-65.6	0	0	0	111.7	T175 D179 D180 F183 Y433	T175-N177 PolarHBondContact O-N 3.47Å; T175-N177 VanDerWaalsContact O-N 3.14Å; N177-D179 PolarHBondContact O-N 3.35Å; N177-D180 PolarHBondContact O-N 3.34Å; N177-F183 HydrophobicContact CB-CD1 4.12Å; N177-F183 HydrophobicContact CB-CE1 4.4Å; N177-Y433 WeakPolarHBondContact ND2-CE1 3.24Å
178	P	82.4	Confident	88.4	Confident	81 Å²	81	53.2 Å²	53.2	53%	0.526	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-21	-174.8	29.8	-36.4	0	0	0	113.2	N176 D180	N176-P178 WeakPolarHBondContact O-CD 3.31Å; P178-D180 VanDerWaalsContact C-N 3.3Å; P178-D180 PolarHBondContact O-N 2.73Å
179	D	86	Confident	88.8	Confident	162 Å²	162	53.2 Å²	53.2	87%	0.866	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-14.9	-179	-60.7	-35.5	0	0	0	113	N177 S181	N177-D179 PolarHBondContact O-N 3.35Å; D179-S181 PolarHBondContact O-N 3.16Å
180	D	88.3	Confident	89	Confident	24 Å²	24	51.9 Å²	51.9	13%	0.128	29%	0.287	C	S	.	.			trans	-88.5	95.8	174.8	-174.2	-19.5	0	0	0	109.8	N177 P178 R182 F183 M184 K432 Y433	N177-D180 PolarHBondContact O-N 3.34Å; P178-D180 VanDerWaalsContact C-N 3.3Å; P178-D180 PolarHBondContact O-N 2.73Å; D180-R182 PolarHBondContact O-N 3.29Å; D180-R182 PolarHBondContact OD1-N 3.05Å; D180-F183 HydrophobicContact CB-CB 3.75Å; D180-F183 VanDerWaalsContact CG-CB 3.48Å; D180-F183 WeakPolarHBondContact O-CB 3.45Å; D180-F183 PolarHBondContact O-N 3.22Å; D180-F183 PolarHBondContact OD1-N 2.92Å; D180-M184 WeakPolarHBondContact O-CG 3.26Å; D180-M184 PolarHBondContact O-N 2.85Å; D180-K432 IonicContact OD2-NZ 2.66Å; D180-K432 PolarHBondContact OD2-NZ 3.48Å; D180-Y433 PolarHBondContact OD2-OH 3.34Å
181	S	89.4	Confident	89.1	Confident	88 Å²	88	49.4 Å²	49.4	62%	0.615	27%	0.271	S	S	*	.	H	α-helix	trans	-61.3	-30.6	-176.6	62.1	0	0	0	0	113.9	D179 S185	D179-S181 PolarHBondContact O-N 3.16Å; S181-S185 PolarHBondContact O-N 2.93Å; S181-S185 PolarHBondContact O-OG 3.05Å
182	R	89.8	Confident	89.1	Confident	49 Å²	49	48.8 Å²	48.8	19%	0.185	27%	0.268	C	S	.	.	H	α-helix	trans	-74.3	-41.6	177.9	-70.1	178.5	172.3	177.2	-0.7	110.7	D180 S185 A186 A495 E496 E499 F505	D180-R182 PolarHBondContact O-N 3.29Å; D180-R182 PolarHBondContact OD1-N 3.05Å; R182-S185 WeakPolarHBondContact O-CB 3.3Å; R182-S185 PolarHBondContact O-N 3.45Å; R182-A186 PolarHBondContact O-N 3Å; R182-A186 VanDerWaalsContact O-N 3.16Å; R182-A495 PolarHBondContact NH1-O 2.76Å; R182-E496 VanDerWaalsContact NH1-CA 3.3Å; R182-E496 PolarHBondContact NH1-O 3.26Å; R182-E496 PolarHBondContact NH2-O 2.94Å; R182-E496 VanDerWaalsContact NH2-O 3.16Å; R182-E499 WeakPolarHBondContact CD-OE2 3.44Å; R182-E499 IonicContact CZ-OE2 2.62Å; R182-E499 IonicContact NE-OE2 3.97Å; R182-E499 IonicContact NH1-OE2 3.54Å; R182-E499 PolarHBondContact NH1-OE2 3.1Å; R182-F505 HydrophobicContact CB-CD1 4.41Å; R182-F505 HydrophobicContact CB-CE1 3.71Å; R182-F505 HydrophobicContact CB-CE2 4.44Å; R182-F505 HydrophobicContact CB-CZ 3.72Å; R182-F505 HydrophobicContact CG-CD1 4.01Å; R182-F505 HydrophobicContact CG-CD2 4.4Å; R182-F505 HydrophobicContact CG-CE1 3.78Å; R182-F505 HydrophobicContact CG-CE2 4.19Å; R182-F505 HydrophobicContact CG-CG 4.31Å; R182-F505 HydrophobicContact CG-CZ 3.88Å
183	F	90.9	Very high	89	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-58.5	-47.1	169.5	-178.9	-105.4	0	0	0	111.9	L171 N174 N177 D180 S185 A186 V187 T429 Y433	L171-F183 HydrophobicContact CD1-CE2 3.69Å; L171-F183 HydrophobicContact CD1-CZ 4.07Å; L171-F183 HydrophobicContact CD2-CE2 4.38Å; L171-F183 HydrophobicContact CG-CE2 3.81Å; L171-F183 HydrophobicContact CG-CZ 4.36Å; L171-F183 WeakPolarHBondContact O-CZ 3.4Å; N174-F183 WeakPolarHBondContact O-CE1 3.34Å; N174-F183 WeakPolarHBondContact O-CZ 3.47Å; N177-F183 HydrophobicContact CB-CD1 4.12Å; N177-F183 HydrophobicContact CB-CE1 4.4Å; D180-F183 HydrophobicContact CB-CB 3.75Å; D180-F183 VanDerWaalsContact CG-CB 3.48Å; D180-F183 WeakPolarHBondContact O-CB 3.45Å; D180-F183 PolarHBondContact O-N 3.22Å; D180-F183 PolarHBondContact OD1-N 2.92Å; F183-S185 VanDerWaalsContact C-N 3.26Å; F183-S185 PolarHBondContact O-N 3.34Å; F183-A186 WeakPolarHBondContact O-CA 3.24Å; F183-A186 WeakPolarHBondContact O-CB 3.33Å; F183-A186 PolarHBondContact O-N 2.75Å; F183-V187 HydrophobicContact CD1-CG2 4.22Å; F183-V187 HydrophobicContact CE1-CG2 3.8Å; F183-V187 HydrophobicContact CZ-CG2 3.98Å; F183-V187 PolarHBondContact O-N 2.89Å; F183-T429 HydrophobicContact CB-CG2 4.2Å; F183-T429 HydrophobicContact CD2-CG2 4.33Å; F183-Y433 HydrophobicContact CB-CE2 4.02Å; F183-Y433 AromaticContact CD2-CD2 3.82Å; F183-Y433 HydrophobicContact CD2-CD2 3.82Å; F183-Y433 AromaticContact CD2-CE2 3.44Å; F183-Y433 HydrophobicContact CD2-CE2 3.44Å; F183-Y433 VanDerWaalsContact CD2-CE2 3.44Å; F183-Y433 AromaticContact CD2-CZ 3.97Å; F183-Y433 HydrophobicContact CE2-CD2 4.19Å; F183-Y433 HydrophobicContact CE2-CE2 4.17Å; F183-Y433 AromaticContact CG-CE2 3.92Å; F183-Y433 HydrophobicContact CG-CE2 3.92Å
184	M	92.6	Very high	88.8	Confident	44 Å²	44	46.1 Å²	46.1	22%	0.217	26%	0.256	C	S	.	.	H	α-helix	trans	-63	-31.9	177.1	-70.2	-54.5	-57.1	0	0	112.9	D180 A186 V187 N188	D180-M184 WeakPolarHBondContact O-CG 3.26Å; D180-M184 PolarHBondContact O-N 2.85Å; M184-A186 VanDerWaalsContact C-N 3.34Å; M184-V187 HydrophobicContact CE-CG1 4.47Å; M184-V187 PolarHBondContact O-N 3.49Å; M184-N188 WeakPolarHBondContact O-CB 3.18Å; M184-N188 PolarHBondContact O-N 3.49Å; M184-N188 PolarHBondContact O-OD1 3.15Å
185	S	93.9	Very high	88.6	Confident	24 Å²	24	47.8 Å²	47.8	17%	0.168	27%	0.265	C	S	.	.	H	α-helix	trans	-64.5	-38.3	172.3	-58.9	0	0	0	0	112.1	S181 R182 F183 N188 Y189 I509	S181-S185 PolarHBondContact O-N 2.93Å; S181-S185 PolarHBondContact O-OG 3.05Å; R182-S185 WeakPolarHBondContact O-CB 3.3Å; R182-S185 PolarHBondContact O-N 3.45Å; F183-S185 VanDerWaalsContact C-N 3.26Å; F183-S185 PolarHBondContact O-N 3.34Å; S185-N188 PolarHBondContact O-N 3.49Å; S185-Y189 PolarHBondContact O-N 3.42Å; S185-I509 WeakPolarHBondContact O-CG2 3.31Å
186	A	93.8	Very high	88.2	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-64.8	-43.2	173.8	0	0	0	0	0	111.6	M172 R182 F183 M184 Y189 Y190 F426	M172-A186 HydrophobicContact CE-CB 4.11Å; M172-A186 HydrophobicContact SD-CB 3.89Å; R182-A186 PolarHBondContact O-N 3Å; R182-A186 VanDerWaalsContact O-N 3.16Å; F183-A186 WeakPolarHBondContact O-CA 3.24Å; F183-A186 WeakPolarHBondContact O-CB 3.33Å; F183-A186 PolarHBondContact O-N 2.75Å; M184-A186 VanDerWaalsContact C-N 3.34Å; A186-Y189 PolarHBondContact O-N 3.29Å; A186-Y190 WeakPolarHBondContact O-CB 3.4Å; A186-Y190 PolarHBondContact O-N 2.92Å; A186-F426 HydrophobicContact CB-CB 3.85Å; A186-F426 HydrophobicContact CB-CD1 3.58Å; A186-F426 HydrophobicContact CB-CD2 3.91Å; A186-F426 HydrophobicContact CB-CE1 4.07Å; A186-F426 HydrophobicContact CB-CE2 4.37Å; A186-F426 HydrophobicContact CB-CG 3.48Å; A186-F426 VanDerWaalsContact CB-CG 3.48Å; A186-F426 HydrophobicContact CB-CZ 4.43Å
187	V	94.2	Very high	87.2	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-60.5	-47.8	174.7	174.4	0	0	0	0	110.9	M172 T175 F183 M184 Y189 Y190 K191	M172-V187 HydrophobicContact SD-CG2 4.4Å; T175-V187 HydrophobicContact CG2-CG1 4.39Å; F183-V187 HydrophobicContact CD1-CG2 4.22Å; F183-V187 HydrophobicContact CE1-CG2 3.8Å; F183-V187 HydrophobicContact CZ-CG2 3.98Å; F183-V187 PolarHBondContact O-N 2.89Å; M184-V187 HydrophobicContact CE-CG1 4.47Å; M184-V187 PolarHBondContact O-N 3.49Å; V187-Y189 VanDerWaalsContact C-N 3.33Å; V187-Y189 PolarHBondContact O-N 2.92Å; V187-Y190 PolarHBondContact O-N 3.34Å; V187-K191 HydrophobicContact CG1-CD 4.24Å; V187-K191 HydrophobicContact CG1-CG 4.4Å; V187-K191 WeakPolarHBondContact O-CG 3.47Å; V187-K191 PolarHBondContact O-N 3.39Å
188	N	94.5	Very high	86.4	Confident	35 Å²	35	46 Å²	46	19%	0.187	26%	0.258	C	S	.	.	H	α-helix	trans	-59.7	-43.5	178.2	-70.4	-2.4	0	0	0	111.4	M184 S185 K191 S192 I509 E511	M184-N188 WeakPolarHBondContact O-CB 3.18Å; M184-N188 PolarHBondContact O-N 3.49Å; M184-N188 PolarHBondContact O-OD1 3.15Å; S185-N188 PolarHBondContact O-N 3.49Å; N188-K191 PolarHBondContact O-N 3.49Å; N188-S192 WeakPolarHBondContact O-CB 3.23Å; N188-S192 PolarHBondContact O-N 3.33Å; N188-S192 PolarHBondContact O-OG 2.98Å; N188-I509 HydrophobicContact CB-CG2 4.08Å; N188-I509 PolarHBondContact ND2-O 3.25Å; N188-E511 HydrophobicContact CB-CB 4.34Å
189	Y	94.7	Very high	85.7	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.1	-49.3	174.9	-164	-74	0	0	0	110.9	S185 A186 V187 K191 S192 C193 E421 V422 F426 I504 I509 N517	S185-Y189 PolarHBondContact O-N 3.42Å; A186-Y189 PolarHBondContact O-N 3.29Å; V187-Y189 VanDerWaalsContact C-N 3.33Å; V187-Y189 PolarHBondContact O-N 2.92Å; Y189-K191 VanDerWaalsContact C-N 3.32Å; Y189-K191 PolarHBondContact O-N 3.06Å; Y189-S192 PolarHBondContact O-N 2.82Å; Y189-S192 PolarHBondContact O-OG 3.3Å; Y189-C193 PolarHBondContact O-N 3.26Å; Y189-C193 VanDerWaalsContact O-N 3.13Å; Y189-C193 PolarHBondContact O-SG 3.09Å; Y189-C193 VanDerWaalsContact O-SG 3.39Å; Y189-E421 HydrophobicContact CE1-CB 3.68Å; Y189-E421 WeakPolarHBondContact CE1-OE2 3.37Å; Y189-E421 PolarHBondContact OH-OE2 3.38Å; Y189-V422 HydrophobicContact CD1-CG2 4Å; Y189-F426 VanDerWaalsContact CB-CE2 3.43Å; Y189-F426 HydrophobicContact CD1-CE2 4.29Å; Y189-F426 AromaticContact CD2-CE2 3.78Å; Y189-F426 HydrophobicContact CD2-CE2 3.78Å; Y189-F426 HydrophobicContact CD2-CZ 4.03Å; Y189-F426 AromaticContact CG-CE2 3.58Å; Y189-F426 HydrophobicContact CG-CE2 3.58Å; Y189-F426 HydrophobicContact CG-CZ 4.1Å; Y189-I504 HydrophobicContact CD2-CD1 4.18Å; Y189-I504 HydrophobicContact CE2-CD1 4.25Å; Y189-I509 HydrophobicContact CD2-CG2 4.23Å; Y189-N517 HydrophobicContact CD2-CB 3.79Å; Y189-N517 HydrophobicContact CE2-CB 3.72Å
190	Y	93.9	Very high	85.1	Confident	23 Å²	23	42.8 Å²	42.8	9%	0.09	24%	0.236	C	C	.	.	H	α-helix	trans	-60.5	-38.4	-179.6	175.9	-106.3	0	0	0	113.1	M172 A186 V187 C193 T194 I419 V422	M172-Y190 HydrophobicContact CB-CD1 3.31Å; M172-Y190 HydrophobicContact CB-CD2 4.22Å; M172-Y190 HydrophobicContact CB-CE1 3.79Å; M172-Y190 HydrophobicContact CB-CG 3.53Å; M172-Y190 HydrophobicContact CG-CD1 4.11Å; M172-Y190 HydrophobicContact CG-CD2 4.19Å; M172-Y190 HydrophobicContact CG-CG 3.77Å; A186-Y190 WeakPolarHBondContact O-CB 3.4Å; A186-Y190 PolarHBondContact O-N 2.92Å; V187-Y190 PolarHBondContact O-N 3.34Å; Y190-C193 VanDerWaalsContact CA-SG 3.58Å; Y190-C193 PolarHBondContact O-SG 3.46Å; Y190-T194 HydrophobicContact CD2-CG2 4.1Å; Y190-T194 HydrophobicContact CE1-CG2 4.35Å; Y190-T194 HydrophobicContact CE2-CG2 3.62Å; Y190-T194 WeakPolarHBondContact O-CB 3.44Å; Y190-T194 VanDerWaalsContact O-CG2 3.3Å; Y190-T194 WeakPolarHBondContact O-CG2 3.36Å; Y190-T194 PolarHBondContact O-N 3.21Å; Y190-T194 PolarHBondContact O-OG1 2.85Å; Y190-I419 HydrophobicContact CD2-CD1 4.12Å; Y190-I419 HydrophobicContact CE2-CD1 3.51Å; Y190-V422 HydrophobicContact CD2-CG2 4.15Å
191	K	92.1	Very high	84.3	Confident	58 Å²	58	46.3 Å²	46.3	25%	0.252	25%	0.254	S	S	.	.	H	α-helix	trans	-70.8	-45.7	175.2	-69.6	-177	-178.2	-179.6	0	111.8	V187 N188 Y189 C193 T194 D195 E511	V187-K191 HydrophobicContact CG1-CD 4.24Å; V187-K191 HydrophobicContact CG1-CG 4.4Å; V187-K191 WeakPolarHBondContact O-CG 3.47Å; V187-K191 PolarHBondContact O-N 3.39Å; N188-K191 PolarHBondContact O-N 3.49Å; Y189-K191 VanDerWaalsContact C-N 3.32Å; Y189-K191 PolarHBondContact O-N 3.06Å; K191-C193 PolarHBondContact O-N 3.48Å; K191-C193 VanDerWaalsContact O-N 3.13Å; K191-T194 WeakPolarHBondContact CA-OG1 3.29Å; K191-T194 PolarHBondContact O-N 3.1Å; K191-T194 PolarHBondContact O-OG1 3.46Å; K191-T194 VanDerWaalsContact O-OG1 3.13Å; K191-D195 WeakPolarHBondContact O-CB 3.25Å; K191-D195 PolarHBondContact O-N 3.25Å; K191-E511 HydrophobicContact CB-CG 3.78Å; K191-E511 HydrophobicContact CD-CG 3.84Å; K191-E511 WeakPolarHBondContact CD-OE1 3.5Å; K191-E511 WeakPolarHBondContact CD-OE2 3.33Å; K191-E511 IonicContact NZ-OE1 2.89Å; K191-E511 PolarHBondContact NZ-OE1 3.16Å; K191-E511 IonicContact NZ-OE2 3.26Å; K191-E511 PolarHBondContact NZ-OE2 3Å
192	S	91.4	Very high	83.5	Confident	4 Å²	4	44.8 Å²	44.8	3%	0.028	24%	0.244	C	C	.	.	H	α-helix	trans	-54.4	-40.1	179.6	76.4	0	0	0	0	112.8	N188 Y189 S196 E511 Y514 N517	N188-S192 WeakPolarHBondContact O-CB 3.23Å; N188-S192 PolarHBondContact O-N 3.33Å; N188-S192 PolarHBondContact O-OG 2.98Å; Y189-S192 PolarHBondContact O-N 2.82Å; Y189-S192 PolarHBondContact O-OG 3.3Å; S192-S196 WeakPolarHBondContact O-CB 3.25Å; S192-S196 PolarHBondContact O-N 3.26Å; S192-E511 WeakPolarHBondContact CA-O 3.47Å; S192-E511 WeakPolarHBondContact CB-O 3.38Å; S192-Y514 WeakPolarHBondContact O-CB 3.43Å; S192-N517 PolarHBondContact OG-ND2 3.04Å
193	C	89.4	Confident	82.8	Confident	2 Å²	2	45.4 Å²	45.4	1%	0.014	25%	0.252	C	S	.	.	H	α-helix	trans	-83.4	-17.9	-178.9	70.1	0	0	0	0	114.7	Y189 Y190 K191 P197 C418 Y514	Y189-C193 PolarHBondContact O-N 3.26Å; Y189-C193 VanDerWaalsContact O-N 3.13Å; Y189-C193 PolarHBondContact O-SG 3.09Å; Y189-C193 VanDerWaalsContact O-SG 3.39Å; Y190-C193 VanDerWaalsContact CA-SG 3.58Å; Y190-C193 PolarHBondContact O-SG 3.46Å; K191-C193 PolarHBondContact O-N 3.48Å; K191-C193 VanDerWaalsContact O-N 3.13Å; C193-P197 WeakPolarHBondContact O-CD 3.36Å; C193-P197 WeakPolarHBondContact O-CG 3.34Å; C193-C418 HydrophobicContact CB-CB 3.7Å; C193-C418 WeakPolarHBondContact CB-SG 3.21Å; C193-C418 WeakPolarHBondContact SG-CB 3.16Å; C193-C418 CovalentContact SG-SG 1.95Å; C193-C418 PolarHBondContact SG-SG 2.92Å; C193-Y514 VanDerWaalsContact CA-CD2 3.41Å; C193-Y514 HydrophobicContact CB-CD2 3.52Å; C193-Y514 HydrophobicContact CB-CE2 3.27Å
194	T	86.1	Confident	82.2	Confident	48 Å²	48	45.6 Å²	45.6	29%	0.294	25%	0.254	S	S	.	.	H	α-helix	trans	-95.5	-29.6	-179.5	48	0	0	0	0	111.5	Y190 K191 P197	Y190-T194 HydrophobicContact CD2-CG2 4.1Å; Y190-T194 HydrophobicContact CE1-CG2 4.35Å; Y190-T194 HydrophobicContact CE2-CG2 3.62Å; Y190-T194 WeakPolarHBondContact O-CB 3.44Å; Y190-T194 VanDerWaalsContact O-CG2 3.3Å; Y190-T194 WeakPolarHBondContact O-CG2 3.36Å; Y190-T194 PolarHBondContact O-N 3.21Å; Y190-T194 PolarHBondContact O-OG1 2.85Å; K191-T194 WeakPolarHBondContact CA-OG1 3.29Å; K191-T194 PolarHBondContact O-N 3.1Å; K191-T194 PolarHBondContact O-OG1 3.46Å; K191-T194 VanDerWaalsContact O-OG1 3.13Å; T194-P197 WeakPolarHBondContact O-CD 3.31Å
195	D	77.8	Confident	81.4	Confident	98 Å²	98	48.4 Å²	48.4	52%	0.524	27%	0.266	S	S	.	.	H	α-helix	trans	-81.9	-38.7	175.3	-66.8	-29.8	0	0	0	112.2	K191 P197 N198	K191-D195 WeakPolarHBondContact O-CB 3.25Å; K191-D195 PolarHBondContact O-N 3.25Å; D195-P197 VanDerWaalsContact C-CD 3.48Å; D195-N198 PolarHBondContact O-N 3.03Å
196	S	68.6	Low	80.6	Confident	21 Å²	21	50.8 Å²	50.8	15%	0.147	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-58.3	-38.3	-179.3	-179.6	0	0	0	0	115.5	S192 N198 A199 Y402	S192-S196 WeakPolarHBondContact O-CB 3.25Å; S192-S196 PolarHBondContact O-N 3.26Å; S196-N198 PolarHBondContact O-N 3.19Å; S196-N198 VanDerWaalsContact O-N 3.07Å; S196-A199 WeakPolarHBondContact O-CB 3.38Å; S196-A199 PolarHBondContact O-N 2.85Å; S196-Y402 WeakPolarHBondContact CB-OH 2.8Å; S196-Y402 PolarHBondContact OG-OH 2.98Å
197	P	60.8	Low	80.1	Confident	65 Å²	65	52.7 Å²	52.7	42%	0.422	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-54.2	-24.1	175.8	-29.1	36.4	0	0	0	115.2	C193 T194 D195	C193-P197 WeakPolarHBondContact O-CD 3.36Å; C193-P197 WeakPolarHBondContact O-CG 3.34Å; T194-P197 WeakPolarHBondContact O-CD 3.31Å; D195-P197 VanDerWaalsContact C-CD 3.48Å
198	N	63	Low	79.6	Confident	140 Å²	140	53.5 Å²	53.5	75%	0.749	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-92.4	-0.9	-177.8	-61.7	-46.1	0	0	0	113.3	D195 S196	D195-N198 PolarHBondContact O-N 3.03Å; S196-N198 PolarHBondContact O-N 3.19Å; S196-N198 VanDerWaalsContact O-N 3.07Å
199	A	68.4	Low	78.9	Confident	34 Å²	34	54.2 Å²	54.2	28%	0.281	29%	0.294	S	S	.	.	S	Bend	trans	-76.6	145.5	-179.5	0	0	0	0	0	112	S196 V203 I204	S196-A199 WeakPolarHBondContact O-CB 3.38Å; S196-A199 PolarHBondContact O-N 2.85Å; A199-V203 HydrophobicContact CB-CB 4.07Å; A199-V203 HydrophobicContact CB-CG1 4.04Å; A199-I204 HydrophobicContact CB-CG1 4.31Å; A199-I204 WeakPolarHBondContact O-CD1 3.36Å
200	E	72.8	Confident	78.3	Confident	142 Å²	142	59.4 Å²	59.4	66%	0.664	32%	0.317	S	S	*	.			trans	-59.9	147.6	172.9	-64.5	-175.6	165.3	0	0	110.9	S202 V203 I204	E200-S202 PolarHBondContact O-N 3.43Å; E200-V203 HydrophobicContact CB-CG2 4.29Å; E200-V203 WeakPolarHBondContact O-CA 3.4Å; E200-V203 WeakPolarHBondContact O-CB 3.4Å; E200-V203 PolarHBondContact O-N 2.96Å; E200-I204 PolarHBondContact O-N 2.9Å
201	I	73.4	Confident	78.1	Confident	98 Å²	98	58.5 Å²	58.5	50%	0.503	31%	0.313	S	S	.	.	H	α-helix	trans	-49.5	-40.3	179.2	-67.1	173.7	0	0	0	111.8	V203 I204 E205 Y403	I201-V203 VanDerWaalsContact C-N 3.28Å; I201-V203 PolarHBondContact O-N 3.38Å; I201-I204 PolarHBondContact O-N 3.26Å; I201-E205 HydrophobicContact CG2-CG 4.25Å; I201-E205 WeakPolarHBondContact O-CG 3.38Å; I201-E205 PolarHBondContact O-N 2.9Å; I201-Y403 HydrophobicContact CG2-CE1 3.74Å
202	S	71	Confident	77.7	Confident	56 Å²	56	55.9 Å²	55.9	39%	0.392	30%	0.302	S	S	.	.	H	α-helix	trans	-63.3	-30.2	177.8	45.6	0	0	0	0	114.2	E200 N206	E200-S202 PolarHBondContact O-N 3.43Å; S202-N206 VanDerWaalsContact O-CG 3.27Å; S202-N206 PolarHBondContact O-N 2.96Å; S202-N206 PolarHBondContact O-ND2 2.97Å
203	V	76.5	Confident	77.3	Confident	61 Å²	61	58.4 Å²	58.4	37%	0.37	31%	0.314	S	S	.	.	H	α-helix	trans	-69.8	-47.6	174.4	178.7	0	0	0	0	109.1	A199 E200 I201 E205 N206 E207	A199-V203 HydrophobicContact CB-CB 4.07Å; A199-V203 HydrophobicContact CB-CG1 4.04Å; E200-V203 HydrophobicContact CB-CG2 4.29Å; E200-V203 WeakPolarHBondContact O-CA 3.4Å; E200-V203 WeakPolarHBondContact O-CB 3.4Å; E200-V203 PolarHBondContact O-N 2.96Å; I201-V203 VanDerWaalsContact C-N 3.28Å; I201-V203 PolarHBondContact O-N 3.38Å; V203-E205 PolarHBondContact O-N 3.39Å; V203-N206 WeakPolarHBondContact O-CB 3.43Å; V203-N206 PolarHBondContact O-N 3.45Å; V203-E207 PolarHBondContact O-N 2.83Å
204	I	76.5	Confident	77.2	Confident	5 Å²	5	62.8 Å²	62.8	3%	0.026	34%	0.342	C	S	.	.	H	α-helix	trans	-60	-44.6	177.3	-65.6	149.9	0	0	0	111.3	A199 E200 I201 N206 E207 V208 Y402 Y403 F515	A199-I204 HydrophobicContact CB-CG1 4.31Å; A199-I204 WeakPolarHBondContact O-CD1 3.36Å; E200-I204 PolarHBondContact O-N 2.9Å; I201-I204 PolarHBondContact O-N 3.26Å; I204-N206 VanDerWaalsContact C-N 3.27Å; I204-N206 PolarHBondContact O-N 3.28Å; I204-E207 PolarHBondContact O-N 3.35Å; I204-V208 HydrophobicContact CG2-CG2 4.46Å; I204-V208 WeakPolarHBondContact O-CG2 3.27Å; I204-V208 PolarHBondContact O-N 2.98Å; I204-Y402 HydrophobicContact CD1-CD1 3.17Å; I204-Y402 HydrophobicContact CD1-CE1 3.6Å; I204-Y402 HydrophobicContact CD1-CG 3.88Å; I204-Y402 HydrophobicContact CG1-CD1 4Å; I204-Y402 HydrophobicContact CG1-CE1 4.08Å; I204-Y402 HydrophobicContact CG2-CG 4.32Å; I204-Y403 HydrophobicContact CG2-CE2 3.79Å; I204-F515 HydrophobicContact CG2-CE2 3.95Å; I204-F515 HydrophobicContact CG2-CZ 3.61Å
205	E	76.2	Confident	77.4	Confident	102 Å²	102	62 Å²	62	48%	0.477	34%	0.335	S	S	.	.	H	α-helix	trans	-55.8	-43	174	-74	-174.8	161.7	0	0	111.6	I201 V203 I209 Y403	I201-E205 HydrophobicContact CG2-CG 4.25Å; I201-E205 WeakPolarHBondContact O-CG 3.38Å; I201-E205 PolarHBondContact O-N 2.9Å; V203-E205 PolarHBondContact O-N 3.39Å; E205-I209 WeakPolarHBondContact O-CB 3.37Å; E205-I209 WeakPolarHBondContact O-CD1 3.42Å; E205-I209 WeakPolarHBondContact O-CG1 3.48Å; E205-I209 PolarHBondContact O-N 3.49Å; E205-Y403 WeakPolarHBondContact CG-OH 3.23Å
206	N	78.5	Confident	77.8	Confident	75 Å²	75	57.5 Å²	57.5	40%	0.401	31%	0.311	S	S	.	.	H	α-helix	trans	-66.6	-41.1	177.9	-73.2	-38.1	0	0	0	112	S202 V203 I204 I209 K210	S202-N206 VanDerWaalsContact O-CG 3.27Å; S202-N206 PolarHBondContact O-N 2.96Å; S202-N206 PolarHBondContact O-ND2 2.97Å; V203-N206 WeakPolarHBondContact O-CB 3.43Å; V203-N206 PolarHBondContact O-N 3.45Å; I204-N206 VanDerWaalsContact C-N 3.27Å; I204-N206 PolarHBondContact O-N 3.28Å; N206-I209 PolarHBondContact O-N 3.19Å; N206-K210 WeakPolarHBondContact O-CG 3.23Å; N206-K210 PolarHBondContact O-N 2.89Å
207	E	82.2	Confident	78.2	Confident	40 Å²	40	62.1 Å²	62.1	19%	0.187	33%	0.328	C	S	.	.	H	α-helix	trans	-65	-41.8	176.6	-62.3	-44.3	131.4	0	0	111.9	V203 I204 I209 K210 L211 F515	V203-E207 PolarHBondContact O-N 2.83Å; I204-E207 PolarHBondContact O-N 3.35Å; E207-I209 VanDerWaalsContact C-N 3.31Å; E207-I209 PolarHBondContact O-N 3.44Å; E207-K210 WeakPolarHBondContact O-CB 3.38Å; E207-K210 PolarHBondContact O-N 3.41Å; E207-K210 IonicContact OE1-NZ 3.92Å; E207-K210 PolarHBondContact OE1-NZ 3.11Å; E207-K210 WeakPolarHBondContact OE2-CD 3.38Å; E207-K210 IonicContact OE2-NZ 2.71Å; E207-K210 PolarHBondContact OE2-NZ 3.28Å; E207-L211 PolarHBondContact O-N 3.48Å; E207-F515 HydrophobicContact CB-CD2 3.6Å; E207-F515 HydrophobicContact CB-CE2 4.05Å; E207-F515 HydrophobicContact CG-CD2 4.47Å
208	V	82.8	Confident	78.6	Confident	17 Å²	17	59 Å²	59	10%	0.103	31%	0.308	C	S	.	.	H	α-helix	trans	-61.8	-40.8	173.5	173.8	0	0	0	0	110.9	I204 L211 I212 L392 L399 F515	I204-V208 HydrophobicContact CG2-CG2 4.46Å; I204-V208 WeakPolarHBondContact O-CG2 3.27Å; I204-V208 PolarHBondContact O-N 2.98Å; V208-L211 PolarHBondContact O-N 3.26Å; V208-I212 HydrophobicContact CG1-CD1 3.97Å; V208-I212 WeakPolarHBondContact O-CD1 3.48Å; V208-I212 VanDerWaalsContact O-CG1 3.25Å; V208-I212 WeakPolarHBondContact O-CG1 3.09Å; V208-I212 PolarHBondContact O-N 3.3Å; V208-L392 HydrophobicContact CG1-CD2 3.73Å; V208-L399 HydrophobicContact CG2-CD2 3.95Å; V208-F515 HydrophobicContact CG2-CD1 4.12Å; V208-F515 HydrophobicContact CG2-CE1 3.95Å; V208-F515 HydrophobicContact CG2-CE2 4.46Å; V208-F515 HydrophobicContact CG2-CG 4.47Å; V208-F515 HydrophobicContact CG2-CZ 4.14Å
209	I	80	Confident	78.9	Confident	49 Å²	49	54.9 Å²	54.9	25%	0.251	28%	0.282	S	S	.	.	H	α-helix	trans	-62.5	-43.9	174.5	-72.1	163	0	0	0	110.9	E205 N206 E207 I212 I213 A224	E205-I209 WeakPolarHBondContact O-CB 3.37Å; E205-I209 WeakPolarHBondContact O-CD1 3.42Å; E205-I209 WeakPolarHBondContact O-CG1 3.48Å; E205-I209 PolarHBondContact O-N 3.49Å; N206-I209 PolarHBondContact O-N 3.19Å; E207-I209 VanDerWaalsContact C-N 3.31Å; E207-I209 PolarHBondContact O-N 3.44Å; I209-I212 PolarHBondContact O-N 2.87Å; I209-I213 HydrophobicContact CG2-CD1 3.72Å; I209-I213 HydrophobicContact CG2-CG1 4.37Å; I209-I213 VanDerWaalsContact O-CG1 3.28Å; I209-I213 WeakPolarHBondContact O-CG1 3.46Å; I209-I213 PolarHBondContact O-N 3.18Å; I209-A224 HydrophobicContact CD1-CB 3.74Å; I209-A224 HydrophobicContact CG1-CB 4.1Å; I209-A224 HydrophobicContact CG2-CB 4.16Å
210	K	83.5	Confident	78.7	Confident	110 Å²	110	56.9 Å²	56.9	48%	0.478	28%	0.283	S	S	.	.	H	α-helix	trans	-60.1	-46.5	176.2	-72.3	-177.1	-153.4	157.6	0	111.2	N206 E207 I212 I213 T214	N206-K210 WeakPolarHBondContact O-CG 3.23Å; N206-K210 PolarHBondContact O-N 2.89Å; E207-K210 WeakPolarHBondContact O-CB 3.38Å; E207-K210 PolarHBondContact O-N 3.41Å; E207-K210 IonicContact OE1-NZ 3.92Å; E207-K210 PolarHBondContact OE1-NZ 3.11Å; E207-K210 WeakPolarHBondContact OE2-CD 3.38Å; E207-K210 IonicContact OE2-NZ 2.71Å; E207-K210 PolarHBondContact OE2-NZ 3.28Å; K210-I212 VanDerWaalsContact C-N 3.32Å; K210-I212 PolarHBondContact O-N 3Å; K210-I213 PolarHBondContact O-N 3.14Å; K210-I213 VanDerWaalsContact O-N 3.13Å; K210-T214 PolarHBondContact O-N 3.35Å; K210-T214 PolarHBondContact O-OG1 2.89Å; K210-T214 VanDerWaalsContact O-OG1 3.08Å
211	L	88.2	Confident	77.9	Confident	3 Å²	3	51.7 Å²	51.7	2%	0.016	26%	0.26	C	S	.	.	H	α-helix	trans	-56	-46.9	176.6	179.1	63.7	0	0	0	111.4	E207 V208 I213 T214 L215 F391 M395 F515 M516	E207-L211 PolarHBondContact O-N 3.48Å; V208-L211 PolarHBondContact O-N 3.26Å; L211-I213 PolarHBondContact O-N 3.09Å; L211-T214 PolarHBondContact O-N 3.44Å; L211-L215 HydrophobicContact CD1-CD1 3.57Å; L211-L215 HydrophobicContact CD1-CG 4Å; L211-L215 HydrophobicContact CG-CD1 4.01Å; L211-L215 WeakPolarHBondContact O-CG 3.4Å; L211-L215 PolarHBondContact O-N 3.21Å; L211-F391 HydrophobicContact CD2-CE1 3.76Å; L211-F391 HydrophobicContact CD2-CZ 3.98Å; L211-F391 HydrophobicContact CG-CE1 4.15Å; L211-F391 HydrophobicContact CG-CZ 4.32Å; L211-M395 HydrophobicContact CD2-CE 3.68Å; L211-M395 HydrophobicContact CD2-SD 3.83Å; L211-F515 HydrophobicContact CD2-CB 4.02Å; L211-M516 HydrophobicContact CD1-CB 4.48Å; L211-M516 HydrophobicContact CD1-CE 3.66Å; L211-M516 HydrophobicContact CD1-SD 3.65Å
212	I	85.5	Confident	77.1	Confident	3 Å²	3	48.2 Å²	48.2	2%	0.015	24%	0.243	C	C	.	.	H	α-helix	trans	-65.5	-38.4	178.1	-63.8	163.5	0	0	0	111.7	V208 I209 K210 T214 F216 K217 G218 W219 T388 L392	V208-I212 HydrophobicContact CG1-CD1 3.97Å; V208-I212 WeakPolarHBondContact O-CD1 3.48Å; V208-I212 VanDerWaalsContact O-CG1 3.25Å; V208-I212 WeakPolarHBondContact O-CG1 3.09Å; V208-I212 PolarHBondContact O-N 3.3Å; I209-I212 PolarHBondContact O-N 2.87Å; K210-I212 VanDerWaalsContact C-N 3.32Å; K210-I212 PolarHBondContact O-N 3Å; I212-T214 VanDerWaalsContact C-N 3.34Å; I212-F216 HydrophobicContact CG2-CB 4.36Å; I212-F216 HydrophobicContact CG2-CD2 4.27Å; I212-F216 CarbonylContact O-C 3.56Å; I212-F216 WeakPolarHBondContact O-CA 3.22Å; I212-F216 WeakPolarHBondContact O-CB 3.26Å; I212-F216 PolarHBondContact O-N 3.32Å; I212-K217 PolarHBondContact O-N 2.8Å; I212-G218 WeakPolarHBondContact CG2-O 3.4Å; I212-G218 PolarHBondContact O-N 3.39Å; I212-W219 HydrophobicContact CD1-CD2 4.48Å; I212-W219 HydrophobicContact CD1-CE3 3.81Å; I212-W219 HydrophobicContact CD1-CZ3 4.38Å; I212-W219 HydrophobicContact CG2-CB 3.82Å; I212-T388 HydrophobicContact CD1-CG2 4.08Å; I212-T388 HydrophobicContact CG1-CG2 4.14Å; I212-T388 HydrophobicContact CG2-CG2 3.73Å; I212-L392 HydrophobicContact CD1-CD1 4.06Å; I212-L392 HydrophobicContact CD1-CD2 4.14Å; I212-L392 HydrophobicContact CD1-CG 4.44Å; I212-L392 HydrophobicContact CG1-CD2 4.38Å
213	I	82.3	Confident	76	Confident	57 Å²	57	52 Å²	52	29%	0.292	26%	0.259	S	S	.	.	H	α-helix	trans	-62.3	-43.6	174.3	-70.5	167.5	0	0	0	110.5	I209 K210 L211 K217 I228	I209-I213 HydrophobicContact CG2-CD1 3.72Å; I209-I213 HydrophobicContact CG2-CG1 4.37Å; I209-I213 VanDerWaalsContact O-CG1 3.28Å; I209-I213 WeakPolarHBondContact O-CG1 3.46Å; I209-I213 PolarHBondContact O-N 3.18Å; K210-I213 PolarHBondContact O-N 3.14Å; K210-I213 VanDerWaalsContact O-N 3.13Å; L211-I213 PolarHBondContact O-N 3.09Å; I213-K217 WeakPolarHBondContact O-CA 3.4Å; I213-K217 PolarHBondContact O-N 3.31Å; I213-I228 HydrophobicContact CD1-CG1 4.15Å; I213-I228 HydrophobicContact CG1-CD1 4.2Å; I213-I228 HydrophobicContact CG1-CG1 4.25Å
214	T	86.9	Confident	74.7	Confident	95 Å²	95	49.8 Å²	49.8	58%	0.583	25%	0.247	S	C	*	.	H	α-helix	trans	-66.7	-47.4	-179.5	-59.1	0	0	0	0	111.9	K210 L211 I212 M516	K210-T214 PolarHBondContact O-N 3.35Å; K210-T214 PolarHBondContact O-OG1 2.89Å; K210-T214 VanDerWaalsContact O-OG1 3.08Å; L211-T214 PolarHBondContact O-N 3.44Å; I212-T214 VanDerWaalsContact C-N 3.34Å; T214-M516 HydrophobicContact CG2-CE 3.54Å
215	L	89.7	Confident	73.6	Confident	30 Å²	30	50.6 Å²	50.6	16%	0.157	25%	0.25	C	S	.	.	H	α-helix	trans	-83.4	-40.4	-173.6	-64.1	-179.9	0	0	0	113.6	L211 P250 F391 M516 Y519	L211-L215 HydrophobicContact CD1-CD1 3.57Å; L211-L215 HydrophobicContact CD1-CG 4Å; L211-L215 HydrophobicContact CG-CD1 4.01Å; L211-L215 WeakPolarHBondContact O-CG 3.4Å; L211-L215 PolarHBondContact O-N 3.21Å; L215-P250 HydrophobicContact CB-CB 4.2Å; L215-P250 HydrophobicContact CB-CG 4.28Å; L215-P250 HydrophobicContact CD1-CB 4.47Å; L215-P250 HydrophobicContact CD2-CB 4.37Å; L215-F391 HydrophobicContact CD1-CE1 4.01Å; L215-F391 HydrophobicContact CD1-CE2 3.62Å; L215-F391 HydrophobicContact CD1-CZ 3.27Å; L215-M516 HydrophobicContact CD2-SD 4.46Å; L215-Y519 HydrophobicContact CD1-CD1 4.16Å; L215-Y519 HydrophobicContact CD1-CD2 3.95Å; L215-Y519 HydrophobicContact CD1-CE1 4.26Å; L215-Y519 HydrophobicContact CD1-CE2 4.05Å; L215-Y519 HydrophobicContact CD1-CG 3.99Å; L215-Y519 HydrophobicContact CD2-CD1 4.1Å; L215-Y519 HydrophobicContact CD2-CE1 3.65Å
216	F	86.1	Confident	72.6	Confident	5 Å²	5	51.4 Å²	51.4	2%	0.022	26%	0.258	C	S	.	.	H	α-helix	trans	-114.7	8.4	-172.1	-57.9	-73.6	0	0	0	113.1	I212 G218 L247 P250 H384 T387 F391	I212-F216 HydrophobicContact CG2-CB 4.36Å; I212-F216 HydrophobicContact CG2-CD2 4.27Å; I212-F216 CarbonylContact O-C 3.56Å; I212-F216 WeakPolarHBondContact O-CA 3.22Å; I212-F216 WeakPolarHBondContact O-CB 3.26Å; I212-F216 PolarHBondContact O-N 3.32Å; F216-G218 PolarHBondContact O-N 2.75Å; F216-G218 VanDerWaalsContact O-N 3.15Å; F216-L247 HydrophobicContact CD1-CD1 3.99Å; F216-L247 WeakPolarHBondContact CE1-O 3.37Å; F216-P250 HydrophobicContact CE1-CB 4.06Å; F216-P250 HydrophobicContact CE1-CG 4.17Å; F216-P250 HydrophobicContact CZ-CB 3.94Å; F216-P250 HydrophobicContact CZ-CG 4.5Å; F216-H384 PolarHBondContact O-NE2 3.3Å; F216-T387 HydrophobicContact CD1-CG2 4.13Å; F216-T387 HydrophobicContact CE1-CG2 3.53Å; F216-T387 HydrophobicContact CZ-CG2 4.32Å; F216-F391 HydrophobicContact CE2-CB 3.75Å; F216-F391 AromaticContact CE2-CD1 3.61Å; F216-F391 HydrophobicContact CE2-CD1 3.61Å; F216-F391 AromaticContact CE2-CD2 3.76Å; F216-F391 HydrophobicContact CE2-CD2 3.76Å; F216-F391 HydrophobicContact CE2-CE1 4.13Å; F216-F391 HydrophobicContact CE2-CE2 4.26Å; F216-F391 AromaticContact CE2-CG 3.41Å; F216-F391 HydrophobicContact CE2-CG 3.41Å; F216-F391 VanDerWaalsContact CE2-CG 3.41Å; F216-F391 HydrophobicContact CE2-CZ 4.44Å; F216-F391 HydrophobicContact CZ-CB 3.62Å; F216-F391 HydrophobicContact CZ-CD1 4.25Å; F216-F391 AromaticContact CZ-CD2 3.61Å; F216-F391 HydrophobicContact CZ-CD2 3.61Å; F216-F391 HydrophobicContact CZ-CE2 4.34Å; F216-F391 AromaticContact CZ-CG 3.56Å; F216-F391 HydrophobicContact CZ-CG 3.56Å
217	K	78.3	Confident	71.6	Confident	117 Å²	117	56 Å²	56	51%	0.509	27%	0.274	S	S	.	.	S	Bend	trans	59.5	19.6	-174.8	-60.6	-179.4	-178.9	174.6	0	112.7	I212 I213 V232 L236	I212-K217 PolarHBondContact O-N 2.8Å; I213-K217 WeakPolarHBondContact O-CA 3.4Å; I213-K217 PolarHBondContact O-N 3.31Å; K217-V232 HydrophobicContact CB-CG1 3.96Å; K217-V232 WeakPolarHBondContact O-CG1 3.38Å; K217-L236 HydrophobicContact CB-CD1 4.43Å; K217-L236 HydrophobicContact CB-CD2 4.44Å; K217-L236 HydrophobicContact CB-CG 4.23Å; K217-L236 WeakPolarHBondContact O-CD1 3.28Å
218	G	69	Low	70.6	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.267	C	S	.	.			trans	132.1	-175.2	177.1	0	0	0	0	0	114.4	I212 F216 H384	I212-G218 WeakPolarHBondContact CG2-O 3.4Å; I212-G218 PolarHBondContact O-N 3.39Å; F216-G218 PolarHBondContact O-N 2.75Å; F216-G218 VanDerWaalsContact O-N 3.15Å; G218-H384 PolarHBondContact O-CE1 3.11Å; G218-H384 PolarHBondContact O-NE2 2.96Å
219	W	69.1	Low	69.6	Low	54 Å²	54	57.2 Å²	57.2	21%	0.205	29%	0.286	C	S	.	.			trans	-135.7	116.6	171.4	-168.9	11.9	0	0	0	111.9	I212 L221 T222 Y225 T388 I389 L392	I212-W219 HydrophobicContact CD1-CD2 4.48Å; I212-W219 HydrophobicContact CD1-CE3 3.81Å; I212-W219 HydrophobicContact CD1-CZ3 4.38Å; I212-W219 HydrophobicContact CG2-CB 3.82Å; W219-L221 VanDerWaalsContact C-N 3.34Å; W219-L221 HydrophobicContact CZ2-CB 4.43Å; W219-L221 PolarHBondContact O-N 3.19Å; W219-T222 HydrophobicContact CD2-CG2 3.51Å; W219-T222 HydrophobicContact CE3-CG2 3.16Å; W219-T222 HydrophobicContact CG-CG2 4.21Å; W219-T222 HydrophobicContact CH2-CG2 3.93Å; W219-T222 HydrophobicContact CZ2-CG2 4.24Å; W219-T222 HydrophobicContact CZ3-CG2 3.39Å; W219-T222 PolarHBondContact O-OG1 3.14Å; W219-Y225 WeakPolarHBondContact O-CB 3.42Å; W219-Y225 WeakPolarHBondContact O-CD2 3.28Å; W219-T388 HydrophobicContact CB-CG2 4.38Å; W219-T388 HydrophobicContact CD2-CG2 3.93Å; W219-T388 HydrophobicContact CG-CG2 3.82Å; W219-I389 HydrophobicContact CZ2-CG1 4.26Å; W219-L392 HydrophobicContact CH2-CD1 3.98Å; W219-L392 HydrophobicContact CZ3-CD1 3.94Å
220	Y	63.7	Low	68.8	Low	75 Å²	75	61.7 Å²	61.7	29%	0.294	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-26.9	-174.9	-160.5	-86.9	0	0	0	114.7	T222 Y225 L237 K381	Y220-T222 VanDerWaalsContact C-N 3.35Å; Y220-T222 PolarHBondContact O-N 3.34Å; Y220-Y225 HydrophobicContact CD2-CD2 4.1Å; Y220-Y225 HydrophobicContact CD2-CE1 4.08Å; Y220-Y225 AromaticContact CD2-CE2 3.54Å; Y220-Y225 HydrophobicContact CD2-CE2 3.54Å; Y220-Y225 AromaticContact CD2-CZ 3.52Å; Y220-Y225 AromaticContact CE2-CE1 3.82Å; Y220-Y225 HydrophobicContact CE2-CE1 3.82Å; Y220-Y225 HydrophobicContact CE2-CE2 4.11Å; Y220-Y225 AromaticContact CE2-CZ 3.58Å; Y220-Y225 HydrophobicContact CG-CE2 4.38Å; Y220-L237 HydrophobicContact CE2-CD1 4.31Å; Y220-K381 HydrophobicContact CD1-CB 4.01Å; Y220-K381 HydrophobicContact CD1-CD 3.97Å; Y220-K381 HydrophobicContact CD1-CG 3.89Å; Y220-K381 HydrophobicContact CD2-CD 4.15Å; Y220-K381 HydrophobicContact CD2-CG 3.73Å; Y220-K381 HydrophobicContact CE1-CB 4.36Å; Y220-K381 HydrophobicContact CE1-CD 3.48Å; Y220-K381 VanDerWaalsContact CE1-CD 3.48Å; Y220-K381 HydrophobicContact CE1-CG 3.93Å; Y220-K381 HydrophobicContact CE2-CD 3.66Å; Y220-K381 HydrophobicContact CE2-CG 3.74Å; Y220-K381 HydrophobicContact CG-CB 4.14Å; Y220-K381 HydrophobicContact CG-CD 4.31Å; Y220-K381 HydrophobicContact CG-CG 3.82Å; Y220-K381 WeakPolarHBondContact OH-CE 3.28Å; Y220-K381 PolarHBondContact OH-NZ 3.31Å
221	L	56.9	Low	67.6	Low	34 Å²	34	60.9 Å²	60.9	18%	0.178	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	6.9	-172.1	-65.1	-177.2	0	0	0	115.3	W219 A298 L302 A385 I389	W219-L221 VanDerWaalsContact C-N 3.34Å; W219-L221 HydrophobicContact CZ2-CB 4.43Å; W219-L221 PolarHBondContact O-N 3.19Å; L221-A298 HydrophobicContact CD2-CB 3.35Å; L221-L302 HydrophobicContact CD1-CD2 4.28Å; L221-A385 HydrophobicContact CD1-CB 3.52Å; L221-A385 HydrophobicContact CD2-CB 4.38Å; L221-A385 HydrophobicContact CG-CB 3.67Å; L221-I389 HydrophobicContact CD1-CD1 4.11Å
222	T	55.1	Low	66.3	Low	25 Å²	25	62.3 Å²	62.3	15%	0.153	32%	0.316	C	S	.	.	S	Bend	trans	-121.6	152.1	-176.5	61.1	0	0	0	0	111.5	W219 Y220 A224 Y225	W219-T222 HydrophobicContact CD2-CG2 3.51Å; W219-T222 HydrophobicContact CE3-CG2 3.16Å; W219-T222 HydrophobicContact CG-CG2 4.21Å; W219-T222 HydrophobicContact CH2-CG2 3.93Å; W219-T222 HydrophobicContact CZ2-CG2 4.24Å; W219-T222 HydrophobicContact CZ3-CG2 3.39Å; W219-T222 PolarHBondContact O-OG1 3.14Å; Y220-T222 VanDerWaalsContact C-N 3.35Å; Y220-T222 PolarHBondContact O-N 3.34Å; T222-A224 PolarHBondContact O-N 3.33Å; T222-A224 VanDerWaalsContact O-N 3.09Å; T222-A224 WeakPolarHBondContact OG1-CB 3.35Å; T222-A224 PolarHBondContact OG1-N 3.13Å; T222-Y225 WeakPolarHBondContact O-CB 3.39Å; T222-Y225 PolarHBondContact O-N 3.4Å
223	N	48.8	Very low	65.2	Low	135 Å²	135	64.1 Å²	64.1	72%	0.722	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-15.4	167.8	-60.8	4	0	0	0	111.3	Y225 D226	N223-Y225 PolarHBondContact O-N 3.31Å; N223-D226 WeakPolarHBondContact O-CB 2.99Å; N223-D226 PolarHBondContact O-N 3.34Å; N223-D226 VanDerWaalsContact O-N 3.12Å
224	A	49.9	Very low	64.4	Low	15 Å²	15	69.3 Å²	69.3	12%	0.124	34%	0.34	C	S	.	.	H	α-helix	trans	-64.2	-25.2	169.4	0	0	0	0	0	111.8	I209 T222 D226 K227 I228	I209-A224 HydrophobicContact CD1-CB 3.74Å; I209-A224 HydrophobicContact CG1-CB 4.1Å; I209-A224 HydrophobicContact CG2-CB 4.16Å; T222-A224 PolarHBondContact O-N 3.33Å; T222-A224 VanDerWaalsContact O-N 3.09Å; T222-A224 WeakPolarHBondContact OG1-CB 3.35Å; T222-A224 PolarHBondContact OG1-N 3.13Å; A224-D226 PolarHBondContact O-N 3.21Å; A224-K227 WeakPolarHBondContact O-CB 3.37Å; A224-K227 PolarHBondContact O-N 3.49Å; A224-I228 WeakPolarHBondContact O-CG1 3.13Å; A224-I228 PolarHBondContact O-N 3.26Å
225	Y	52.5	Low	63.2	Low	22 Å²	22	68 Å²	68	9%	0.086	33%	0.33	C	S	.	.	H	α-helix	trans	-51.1	-40.6	169.2	-168.4	-104.8	0	0	0	111	W219 Y220 T222 N223 K227 I228 K233 L236	W219-Y225 WeakPolarHBondContact O-CB 3.42Å; W219-Y225 WeakPolarHBondContact O-CD2 3.28Å; Y220-Y225 HydrophobicContact CD2-CD2 4.1Å; Y220-Y225 HydrophobicContact CD2-CE1 4.08Å; Y220-Y225 AromaticContact CD2-CE2 3.54Å; Y220-Y225 HydrophobicContact CD2-CE2 3.54Å; Y220-Y225 AromaticContact CD2-CZ 3.52Å; Y220-Y225 AromaticContact CE2-CE1 3.82Å; Y220-Y225 HydrophobicContact CE2-CE1 3.82Å; Y220-Y225 HydrophobicContact CE2-CE2 4.11Å; Y220-Y225 AromaticContact CE2-CZ 3.58Å; Y220-Y225 HydrophobicContact CG-CE2 4.38Å; T222-Y225 WeakPolarHBondContact O-CB 3.39Å; T222-Y225 PolarHBondContact O-N 3.4Å; N223-Y225 PolarHBondContact O-N 3.31Å; Y225-K227 PolarHBondContact O-N 2.91Å; Y225-I228 HydrophobicContact CD2-CD1 4.07Å; Y225-I228 WeakPolarHBondContact O-CB 3.48Å; Y225-I228 PolarHBondContact O-N 3.21Å; Y225-I228 VanDerWaalsContact O-N 3.08Å; Y225-K233 HydrophobicContact CD1-CD 4.33Å; Y225-K233 HydrophobicContact CE1-CD 3.81Å; Y225-K233 HydrophobicContact CE1-CG 3.9Å; Y225-K233 HydrophobicContact CE2-CG 4.27Å; Y225-K233 WeakPolarHBondContact O-CE 3.39Å; Y225-K233 PolarHBondContact O-NZ 3.39Å; Y225-L236 HydrophobicContact CE2-CD1 4.14Å
226	D	55.2	Low	61.9	Low	119 Å²	119	67.2 Å²	67.2	64%	0.636	33%	0.325	S	S	*	.	H	α-helix	trans	-64.9	-27.6	-179.4	-71.7	-35.2	0	0	0	113.5	N223 A224 I228 K233	N223-D226 WeakPolarHBondContact O-CB 2.99Å; N223-D226 PolarHBondContact O-N 3.34Å; N223-D226 VanDerWaalsContact O-N 3.12Å; A224-D226 PolarHBondContact O-N 3.21Å; D226-I228 VanDerWaalsContact C-N 3.32Å; D226-K233 PolarHBondContact O-NZ 2.82Å; D226-K233 VanDerWaalsContact O-NZ 3.11Å; D226-K233 IonicContact OD1-NZ 3.98Å
227	K	58.5	Low	60.9	Low	170 Å²	170	69 Å²	69	74%	0.739	34%	0.335	S	S	*	.	H	α-helix	trans	-79.1	-10.3	176.7	-58.7	-177.1	177.9	-179.8	0	113.8	A224 Y225	A224-K227 WeakPolarHBondContact O-CB 3.37Å; A224-K227 PolarHBondContact O-N 3.49Å; Y225-K227 PolarHBondContact O-N 2.91Å
228	I	60.1	Low	60.4	Low	7 Å²	7	66 Å²	66	4%	0.036	33%	0.325	C	S	.	.	S	Bend	trans	-75.8	136.7	-178.7	-59.7	-179.3	0	0	0	110	I213 A224 Y225 D226 F230 V232 K233	I213-I228 HydrophobicContact CD1-CG1 4.15Å; I213-I228 HydrophobicContact CG1-CD1 4.2Å; I213-I228 HydrophobicContact CG1-CG1 4.25Å; A224-I228 WeakPolarHBondContact O-CG1 3.13Å; A224-I228 PolarHBondContact O-N 3.26Å; Y225-I228 HydrophobicContact CD2-CD1 4.07Å; Y225-I228 WeakPolarHBondContact O-CB 3.48Å; Y225-I228 PolarHBondContact O-N 3.21Å; Y225-I228 VanDerWaalsContact O-N 3.08Å; D226-I228 VanDerWaalsContact C-N 3.32Å; I228-F230 PolarHBondContact O-N 3.25Å; I228-V232 HydrophobicContact CG2-CB 3.61Å; I228-V232 HydrophobicContact CG2-CG1 3.58Å; I228-V232 HydrophobicContact CG2-CG2 4.43Å; I228-K233 HydrophobicContact CB-CG 4.49Å; I228-K233 HydrophobicContact CG2-CG 4.47Å; I228-K233 WeakPolarHBondContact O-CE 3.38Å
229	P	62.8	Low	60	Low	77 Å²	77	71.2 Å²	71.2	50%	0.5	35%	0.352	S	S	.	.			trans	-49.9	137.8	175.8	-27.7	34.5	0	0	0	112.7	T231 V232 K233	P229-T231 PolarHBondContact O-N 2.68Å; P229-T231 VanDerWaalsContact O-N 3.13Å; P229-V232 HydrophobicContact CB-CG2 4.22Å; P229-V232 WeakPolarHBondContact O-CB 3.01Å; P229-V232 PolarHBondContact O-N 2.7Å; P229-K233 PolarHBondContact O-N 3.15Å
230	F	61.7	Low	59.8	Low	142 Å²	142	77 Å²	77	62%	0.623	38%	0.382	S	S	*	.	H	α-helix	trans	-54.9	-35.5	-176.2	-179.8	-97.5	0	0	0	113.5	I228 V232 K233 R234	I228-F230 PolarHBondContact O-N 3.25Å; F230-V232 VanDerWaalsContact C-N 3.31Å; F230-V232 PolarHBondContact O-N 2.84Å; F230-K233 PolarHBondContact O-N 3.44Å; F230-R234 PolarHBondContact O-N 3.39Å
231	T	59.2	Low	60.1	Low	93 Å²	93	76.5 Å²	76.5	57%	0.571	39%	0.387	S	S	*	.	H	α-helix	trans	-59.3	-40.8	176.1	44.8	0	0	0	0	112.3	P229 R234 N235	P229-T231 PolarHBondContact O-N 2.68Å; P229-T231 VanDerWaalsContact O-N 3.13Å; T231-R234 PolarHBondContact O-N 3.07Å; T231-N235 VanDerWaalsContact O-CG 3.23Å; T231-N235 PolarHBondContact O-N 2.71Å; T231-N235 VanDerWaalsContact O-N 3.14Å; T231-N235 PolarHBondContact O-ND2 2.88Å; T231-N235 PolarHBondContact O-OD1 3.44Å
232	V	61	Low	61.1	Low	33 Å²	33	75.9 Å²	75.9	20%	0.2	38%	0.382	C	S	.	.	H	α-helix	trans	-71.2	-40.2	179.4	179.4	0	0	0	0	110.7	K217 I228 P229 F230 R234 N235 L236	K217-V232 HydrophobicContact CB-CG1 3.96Å; K217-V232 WeakPolarHBondContact O-CG1 3.38Å; I228-V232 HydrophobicContact CG2-CB 3.61Å; I228-V232 HydrophobicContact CG2-CG1 3.58Å; I228-V232 HydrophobicContact CG2-CG2 4.43Å; P229-V232 HydrophobicContact CB-CG2 4.22Å; P229-V232 WeakPolarHBondContact O-CB 3.01Å; P229-V232 PolarHBondContact O-N 2.7Å; F230-V232 VanDerWaalsContact C-N 3.31Å; F230-V232 PolarHBondContact O-N 2.84Å; V232-R234 VanDerWaalsContact C-N 3.33Å; V232-R234 PolarHBondContact O-N 3.37Å; V232-N235 PolarHBondContact O-N 3.39Å; V232-L236 HydrophobicContact CG1-CD1 4.31Å; V232-L236 PolarHBondContact O-N 2.87Å
233	K	63.3	Low	62.5	Low	42 Å²	42	77 Å²	77	18%	0.183	39%	0.391	C	S	.	.	H	α-helix	trans	-58	-43.2	173.3	-66.4	-177.5	179.7	171.2	0	112.4	Y225 D226 I228 P229 F230 L236	Y225-K233 HydrophobicContact CD1-CD 4.33Å; Y225-K233 HydrophobicContact CE1-CD 3.81Å; Y225-K233 HydrophobicContact CE1-CG 3.9Å; Y225-K233 HydrophobicContact CE2-CG 4.27Å; Y225-K233 WeakPolarHBondContact O-CE 3.39Å; Y225-K233 PolarHBondContact O-NZ 3.39Å; D226-K233 PolarHBondContact O-NZ 2.82Å; D226-K233 VanDerWaalsContact O-NZ 3.11Å; D226-K233 IonicContact OD1-NZ 3.98Å; I228-K233 HydrophobicContact CB-CG 4.49Å; I228-K233 HydrophobicContact CG2-CG 4.47Å; I228-K233 WeakPolarHBondContact O-CE 3.38Å; P229-K233 PolarHBondContact O-N 3.15Å; F230-K233 PolarHBondContact O-N 3.44Å; K233-L236 PolarHBondContact O-N 3.22Å
234	R	63.8	Low	64.2	Low	165 Å²	165	70.6 Å²	70.6	62%	0.623	36%	0.357	S	S	*	.	H	α-helix	trans	-64	-42.7	177.6	-177.5	-179.1	-99.8	160.8	-7.5	111.3	F230 T231 V232 L236 L237 N238	F230-R234 PolarHBondContact O-N 3.39Å; T231-R234 PolarHBondContact O-N 3.07Å; V232-R234 VanDerWaalsContact C-N 3.33Å; V232-R234 PolarHBondContact O-N 3.37Å; R234-L236 VanDerWaalsContact C-N 3.33Å; R234-L236 PolarHBondContact O-N 3.36Å; R234-L237 PolarHBondContact O-N 2.94Å; R234-N238 WeakPolarHBondContact O-CB 3.41Å; R234-N238 PolarHBondContact O-N 3.41Å
235	N	63	Low	66.1	Low	69 Å²	69	70 Å²	70	37%	0.369	35%	0.352	S	S	.	.	H	α-helix	trans	-68.6	-29.7	-179.7	-67.6	-11.6	0	0	0	113.3	T231 V232 L237 T241	T231-N235 VanDerWaalsContact O-CG 3.23Å; T231-N235 PolarHBondContact O-N 2.71Å; T231-N235 VanDerWaalsContact O-N 3.14Å; T231-N235 PolarHBondContact O-ND2 2.88Å; T231-N235 PolarHBondContact O-OD1 3.44Å; V232-N235 PolarHBondContact O-N 3.39Å; N235-L237 VanDerWaalsContact C-N 3.26Å; N235-L237 PolarHBondContact O-N 3.2Å; N235-T241 PolarHBondContact O-OG1 3.26Å
236	L	62.6	Low	67.8	Low	12 Å²	12	72.5 Å²	72.5	6%	0.063	37%	0.373	C	S	.	.	H	α-helix	trans	-69.6	-20.5	175.6	-91.2	159.8	0	0	0	114	K217 Y225 V232 K233 R234 F242 H384	K217-L236 HydrophobicContact CB-CD1 4.43Å; K217-L236 HydrophobicContact CB-CD2 4.44Å; K217-L236 HydrophobicContact CB-CG 4.23Å; K217-L236 WeakPolarHBondContact O-CD1 3.28Å; Y225-L236 HydrophobicContact CE2-CD1 4.14Å; V232-L236 HydrophobicContact CG1-CD1 4.31Å; V232-L236 PolarHBondContact O-N 2.87Å; K233-L236 PolarHBondContact O-N 3.22Å; R234-L236 VanDerWaalsContact C-N 3.33Å; R234-L236 PolarHBondContact O-N 3.36Å; L236-F242 WeakPolarHBondContact O-CD2 3.18Å; L236-H384 VanDerWaalsContact CD2-CD2 3.44Å; L236-H384 WeakPolarHBondContact CD2-CD2 2.85Å; L236-H384 VanDerWaalsContact CD2-NE2 3.33Å; L236-H384 WeakPolarHBondContact CD2-NE2 3.34Å
237	L	64.3	Low	69.4	Low	44 Å²	44	67.4 Å²	67.4	23%	0.23	35%	0.345	C	S	.	.	H	α-helix	trans	-121.7	1.5	-175.7	-61	177.4	0	0	0	113	Y220 R234 N235 R380 K381	Y220-L237 HydrophobicContact CE2-CD1 4.31Å; R234-L237 PolarHBondContact O-N 2.94Å; N235-L237 VanDerWaalsContact C-N 3.26Å; N235-L237 PolarHBondContact O-N 3.2Å; L237-R380 PolarHBondContact O-NH1 3.36Å; L237-K381 HydrophobicContact CD2-CD 4.27Å; L237-K381 HydrophobicContact CD2-CG 3.74Å
238	N	67.2	Low	71	Confident	54 Å²	54	59.3 Å²	59.3	29%	0.289	31%	0.31	S	S	.	.			trans	-82.8	126	173.8	-178.1	5.8	0	0	0	109.4	R234 E240 T241 F242	R234-N238 WeakPolarHBondContact O-CB 3.41Å; R234-N238 PolarHBondContact O-N 3.41Å; N238-E240 PolarHBondContact O-N 2.98Å; N238-E240 PolarHBondContact OD1-N 2.81Å; N238-T241 WeakPolarHBondContact CB-OG1 3.32Å; N238-T241 PolarHBondContact O-N 3.25Å; N238-T241 VanDerWaalsContact O-N 3.14Å; N238-T241 PolarHBondContact O-OG1 3.47Å; N238-F242 WeakPolarHBondContact O-CB 3.43Å; N238-F242 PolarHBondContact O-N 3.11Å
239	D	61.4	Low	72.6	Confident	108 Å²	108	60.8 Å²	60.8	58%	0.578	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-35.1	178.8	-72.9	-57.1	0	0	0	112.2	T241 R380	D239-T241 VanDerWaalsContact C-N 3.29Å; D239-T241 PolarHBondContact O-N 2.85Å; D239-R380 VanDerWaalsContact CG-NH2 3.27Å; D239-R380 IonicContact OD1-CZ 3.83Å; D239-R380 IonicContact OD1-NE 3.35Å; D239-R380 PolarHBondContact OD1-NE 2.78Å; D239-R380 IonicContact OD1-NH1 2.88Å; D239-R380 PolarHBondContact OD1-NH1 3.42Å; D239-R380 IonicContact OD1-NH2 2.85Å; D239-R380 PolarHBondContact OD1-NH2 2.6Å; D239-R380 IonicContact OD2-NH2 2.6Å; D239-R380 PolarHBondContact OD2-NH2 3.31Å
240	E	64	Low	74	Confident	176 Å²	176	57.6 Å²	57.6	82%	0.822	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-21.1	-178.5	-63.7	-178.5	167.8	0	0	113.4	N238	N238-E240 PolarHBondContact O-N 2.98Å; N238-E240 PolarHBondContact OD1-N 2.81Å
241	T	71	Confident	75.5	Confident	64 Å²	64	50.8 Å²	50.8	39%	0.393	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115	-13.8	-173.3	60.4	0	0	0	0	113.9	N235 N238 D239 S243	N235-T241 PolarHBondContact O-OG1 3.26Å; N238-T241 WeakPolarHBondContact CB-OG1 3.32Å; N238-T241 PolarHBondContact O-N 3.25Å; N238-T241 VanDerWaalsContact O-N 3.14Å; N238-T241 PolarHBondContact O-OG1 3.47Å; D239-T241 VanDerWaalsContact C-N 3.29Å; D239-T241 PolarHBondContact O-N 2.85Å; T241-S243 PolarHBondContact O-N 2.86Å
242	F	76.9	Confident	77.2	Confident	21 Å²	21	46.4 Å²	46.4	9%	0.092	24%	0.24	C	C	.	.			trans	-81.7	102.2	178.3	-168.1	-87.8	0	0	0	110.6	L236 N238 L247 M374 R380 H384	L236-F242 WeakPolarHBondContact O-CD2 3.18Å; N238-F242 WeakPolarHBondContact O-CB 3.43Å; N238-F242 PolarHBondContact O-N 3.11Å; F242-L247 HydrophobicContact CE1-CD2 4.43Å; F242-L247 HydrophobicContact CZ-CD2 3.82Å; F242-M374 HydrophobicContact CD1-CE 3.61Å; F242-M374 HydrophobicContact CD1-SD 3.64Å; F242-M374 HydrophobicContact CE1-CE 4.05Å; F242-M374 HydrophobicContact CE1-SD 3.44Å; F242-M374 WeakPolarHBondContact CE1-SD 3.17Å; F242-R380 HydrophobicContact CD1-CB 4.39Å; F242-R380 HydrophobicContact CD1-CG 3.86Å; F242-R380 HydrophobicContact CE1-CB 4.14Å; F242-R380 HydrophobicContact CE1-CG 3.88Å; F242-R380 HydrophobicContact CE2-CB 4.33Å; F242-R380 HydrophobicContact CG-CG 4.34Å; F242-R380 HydrophobicContact CZ-CB 4.08Å; F242-R380 HydrophobicContact CZ-CG 4.33Å; F242-H384 HydrophobicContact CE2-CB 4.34Å; F242-H384 HydrophobicContact CZ-CB 4.44Å
243	S	84.6	Confident	78.7	Confident	48 Å²	48	45.2 Å²	45.2	34%	0.336	23%	0.233	S	C	.	.			trans	-106.1	121.7	176.9	168.9	0	0	0	0	110.4	T241 T245 S246 L247	T241-S243 PolarHBondContact O-N 2.86Å; S243-T245 VanDerWaalsContact C-N 3.29Å; S243-T245 PolarHBondContact O-N 3.06Å; S243-T245 PolarHBondContact OG-N 3.46Å; S243-S246 WeakPolarHBondContact CB-OG 3.44Å; S243-S246 PolarHBondContact O-N 3.12Å; S243-S246 PolarHBondContact OG-N 3.18Å; S243-S246 VanDerWaalsContact OG-N 3.14Å; S243-S246 PolarHBondContact OG-OG 3.07Å; S243-L247 WeakPolarHBondContact O-CB 3.13Å; S243-L247 PolarHBondContact O-N 3.42Å
244	L	86.4	Confident	80.1	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-64.7	-35.6	174.8	-169.4	62.4	0	0	0	111.2	L247 F248 S331 I332 H370 M374 L383	L244-L247 HydrophobicContact CD1-CD2 4.04Å; L244-L247 WeakPolarHBondContact O-CB 3.46Å; L244-L247 PolarHBondContact O-N 3.32Å; L244-F248 HydrophobicContact CD1-CD1 4.24Å; L244-F248 HydrophobicContact CD1-CD2 4.3Å; L244-F248 HydrophobicContact CD1-CE1 3.76Å; L244-F248 HydrophobicContact CD1-CE2 3.82Å; L244-F248 HydrophobicContact CD1-CZ 3.54Å; L244-F248 HydrophobicContact CD2-CE2 3.97Å; L244-F248 HydrophobicContact CD2-CZ 4.32Å; L244-F248 HydrophobicContact CG-CD2 4.03Å; L244-F248 HydrophobicContact CG-CE1 4.5Å; L244-F248 HydrophobicContact CG-CE2 3.71Å; L244-F248 HydrophobicContact CG-CZ 4Å; L244-F248 WeakPolarHBondContact O-CB 3.33Å; L244-F248 PolarHBondContact O-N 2.65Å; L244-S331 WeakPolarHBondContact CB-O 3.48Å; L244-I332 HydrophobicContact CB-CD1 3.94Å; L244-I332 HydrophobicContact CD2-CD1 3.68Å; L244-I332 HydrophobicContact CD2-CG1 4.33Å; L244-I332 HydrophobicContact CG-CD1 3.62Å; L244-H370 HydrophobicContact CD2-CB 4.36Å; L244-M374 HydrophobicContact CB-CE 4.38Å; L244-M374 HydrophobicContact CB-SD 4.19Å; L244-M374 HydrophobicContact CD1-SD 4.47Å; L244-L383 HydrophobicContact CD1-CD1 4.14Å
245	T	88.6	Confident	81.4	Confident	4 Å²	4	38.2 Å²	38.2	3%	0.025	21%	0.213	C	C	.	.	H	α-helix	trans	-56.5	-50	171.1	-59.1	0	0	0	0	111.5	S243 L247 F248 L249 D333 V336 L337	S243-T245 VanDerWaalsContact C-N 3.29Å; S243-T245 PolarHBondContact O-N 3.06Å; S243-T245 PolarHBondContact OG-N 3.46Å; T245-L247 VanDerWaalsContact C-N 3.3Å; T245-L247 PolarHBondContact O-N 3.17Å; T245-F248 PolarHBondContact O-N 3.27Å; T245-L249 WeakPolarHBondContact O-CB 3.3Å; T245-L249 PolarHBondContact O-N 2.69Å; T245-D333 PolarHBondContact OG1-N 2.99Å; T245-V336 HydrophobicContact CG2-CG1 4.24Å; T245-L337 HydrophobicContact CG2-CB 4.01Å; T245-L337 HydrophobicContact CG2-CD1 4.35Å
246	S	88.4	Confident	82.8	Confident	74 Å²	74	35.1 Å²	35.1	52%	0.517	20%	0.198	S	C	.	.	H	α-helix	trans	-65.9	-34.9	179.4	-60.8	0	0	0	0	112.2	S243 P250	S243-S246 WeakPolarHBondContact CB-OG 3.44Å; S243-S246 PolarHBondContact O-N 3.12Å; S243-S246 PolarHBondContact OG-N 3.18Å; S243-S246 VanDerWaalsContact OG-N 3.14Å; S243-S246 PolarHBondContact OG-OG 3.07Å; S246-P250 WeakPolarHBondContact O-CD 3.44Å
247	L	88.9	Confident	84.1	Confident	11 Å²	11	35.5 Å²	35.5	6%	0.058	20%	0.202	C	C	.	.	H	α-helix	trans	-65.8	-43.7	177.5	-179	66.6	0	0	0	111.7	F216 F242 S243 L244 T245 L383 H384 T387	F216-L247 HydrophobicContact CD1-CD1 3.99Å; F216-L247 WeakPolarHBondContact CE1-O 3.37Å; F242-L247 HydrophobicContact CE1-CD2 4.43Å; F242-L247 HydrophobicContact CZ-CD2 3.82Å; S243-L247 WeakPolarHBondContact O-CB 3.13Å; S243-L247 PolarHBondContact O-N 3.42Å; L244-L247 HydrophobicContact CD1-CD2 4.04Å; L244-L247 WeakPolarHBondContact O-CB 3.46Å; L244-L247 PolarHBondContact O-N 3.32Å; T245-L247 VanDerWaalsContact C-N 3.3Å; T245-L247 PolarHBondContact O-N 3.17Å; L247-L383 HydrophobicContact CD2-CB 4.37Å; L247-H384 HydrophobicContact CD1-CB 4.49Å; L247-T387 HydrophobicContact CD1-CG2 4.37Å; L247-T387 HydrophobicContact CG-CG2 4.08Å; L247-T387 WeakPolarHBondContact O-CG2 3.09Å
248	F	91.7	Very high	85.3	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-81.1	-23.1	-176.1	-74.9	-9.7	0	0	0	114.1	L244 T245 L251 L252 T258 L260 F261 I332 H370 T387	L244-F248 HydrophobicContact CD1-CD1 4.24Å; L244-F248 HydrophobicContact CD1-CD2 4.3Å; L244-F248 HydrophobicContact CD1-CE1 3.76Å; L244-F248 HydrophobicContact CD1-CE2 3.82Å; L244-F248 HydrophobicContact CD1-CZ 3.54Å; L244-F248 HydrophobicContact CD2-CE2 3.97Å; L244-F248 HydrophobicContact CD2-CZ 4.32Å; L244-F248 HydrophobicContact CG-CD2 4.03Å; L244-F248 HydrophobicContact CG-CE1 4.5Å; L244-F248 HydrophobicContact CG-CE2 3.71Å; L244-F248 HydrophobicContact CG-CZ 4Å; L244-F248 WeakPolarHBondContact O-CB 3.33Å; L244-F248 PolarHBondContact O-N 2.65Å; T245-F248 PolarHBondContact O-N 3.27Å; F248-L251 PolarHBondContact O-N 2.79Å; F248-L251 VanDerWaalsContact O-N 3.11Å; F248-L252 WeakPolarHBondContact O-CB 3.35Å; F248-L252 PolarHBondContact O-N 3.47Å; F248-T258 HydrophobicContact CB-CG2 3.95Å; F248-T258 HydrophobicContact CD2-CG2 4.29Å; F248-T258 HydrophobicContact CG-CG2 4.06Å; F248-L260 HydrophobicContact CE2-CB 3.63Å; F248-L260 HydrophobicContact CE2-CD2 3.81Å; F248-L260 HydrophobicContact CE2-CG 4.37Å; F248-L260 HydrophobicContact CZ-CB 4.08Å; F248-F261 HydrophobicContact CD2-CE1 4.27Å; F248-I332 HydrophobicContact CD2-CD1 3.88Å; F248-I332 HydrophobicContact CE2-CD1 4.19Å; F248-H370 AromaticContact CZ-CD2 3.95Å; F248-T387 HydrophobicContact CD1-CG2 4.02Å; F248-T387 VanDerWaalsContact CE1-OG1 3.28Å; F248-T387 WeakPolarHBondContact CE1-OG1 3.37Å
249	L	93.1	Very high	85.9	Confident	38 Å²	38	31.1 Å²	31.1	20%	0.199	18%	0.178	C	C	.	.	H	α-helix	trans	-54.4	-45.8	-174.9	-176.1	65.1	0	0	0	113.7	T245 L251 L252 L253 I341	T245-L249 WeakPolarHBondContact O-CB 3.3Å; T245-L249 PolarHBondContact O-N 2.69Å; L249-L251 PolarHBondContact O-N 3.48Å; L249-L252 PolarHBondContact O-N 2.95Å; L249-L253 HydrophobicContact CD1-CD1 4.12Å; L249-L253 HydrophobicContact CD1-CG 4.17Å; L249-L253 HydrophobicContact CG-CD1 4.02Å; L249-L253 HydrophobicContact CG-CG 4.48Å; L249-L253 WeakPolarHBondContact O-CB 3.27Å; L249-L253 WeakPolarHBondContact O-CG 3.36Å; L249-L253 PolarHBondContact O-N 3.38Å; L249-I341 HydrophobicContact CD1-CG1 4.4Å
250	P	93.8	Very high	86.9	Confident	10 Å²	10	26 Å²	26	7%	0.065	15%	0.151	C	C	.	.	H	α-helix	trans	-62.3	-41.7	176.6	-22.8	33.9	0	0	0	113.4	L215 F216 S246 L253 Q254 Y519	L215-P250 HydrophobicContact CB-CB 4.2Å; L215-P250 HydrophobicContact CB-CG 4.28Å; L215-P250 HydrophobicContact CD1-CB 4.47Å; L215-P250 HydrophobicContact CD2-CB 4.37Å; F216-P250 HydrophobicContact CE1-CB 4.06Å; F216-P250 HydrophobicContact CE1-CG 4.17Å; F216-P250 HydrophobicContact CZ-CB 3.94Å; F216-P250 HydrophobicContact CZ-CG 4.5Å; S246-P250 WeakPolarHBondContact O-CD 3.44Å; P250-L253 PolarHBondContact O-N 2.95Å; P250-Q254 WeakPolarHBondContact O-CB 3.39Å; P250-Q254 PolarHBondContact O-N 2.96Å; P250-Y519 WeakPolarHBondContact CA-OH 3.4Å; P250-Y519 HydrophobicContact CB-CE2 4.33Å; P250-Y519 WeakPolarHBondContact O-CE2 3.28Å
251	L	93.1	Very high	88.1	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-67.9	-38.2	179.6	-178.4	61.2	0	0	0	111.8	F248 L249 Q254 S255 S257 T258 T387 F391 N394	F248-L251 PolarHBondContact O-N 2.79Å; F248-L251 VanDerWaalsContact O-N 3.11Å; L249-L251 PolarHBondContact O-N 3.48Å; L251-Q254 WeakPolarHBondContact O-CB 3.27Å; L251-Q254 PolarHBondContact O-N 2.86Å; L251-S255 PolarHBondContact O-N 2.95Å; L251-S255 PolarHBondContact O-OG 2.89Å; L251-S257 WeakPolarHBondContact CG-O 3.44Å; L251-T258 HydrophobicContact CD2-CG2 4.45Å; L251-T387 HydrophobicContact CB-CG2 4.06Å; L251-T387 HydrophobicContact CD2-CG2 3.83Å; L251-F391 HydrophobicContact CD1-CB 4.09Å; L251-N394 WeakPolarHBondContact CD1-ND2 3.34Å
252	L	93.5	Very high	89	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-67.2	-44.6	175.4	-173	66.1	0	0	0	111.3	F248 L249 Q254 S255 G256 T258 F261 L263 L337 I341 F526	F248-L252 WeakPolarHBondContact O-CB 3.35Å; F248-L252 PolarHBondContact O-N 3.47Å; L249-L252 PolarHBondContact O-N 2.95Å; L252-Q254 VanDerWaalsContact C-N 3.25Å; L252-Q254 PolarHBondContact O-N 3.26Å; L252-S255 PolarHBondContact O-N 3.34Å; L252-G256 VanDerWaalsContact O-CA 3.26Å; L252-G256 WeakPolarHBondContact O-CA 3.47Å; L252-G256 PolarHBondContact O-N 2.83Å; L252-T258 HydrophobicContact CB-CG2 4.16Å; L252-T258 HydrophobicContact CD1-CG2 4.29Å; L252-F261 HydrophobicContact CD1-CE2 4.06Å; L252-F261 HydrophobicContact CD2-CE2 4.19Å; L252-F261 HydrophobicContact CD2-CZ 4.26Å; L252-L263 HydrophobicContact CD1-CB 4Å; L252-L337 HydrophobicContact CD2-CD1 3.89Å; L252-L337 HydrophobicContact CD2-CD2 3.78Å; L252-L337 HydrophobicContact CD2-CG 4Å; L252-I341 HydrophobicContact CD2-CD1 3.55Å; L252-I341 HydrophobicContact CG-CD1 4.28Å; L252-F526 WeakPolarHBondContact O-CE1 3.06Å
253	L	93.8	Very high	89.7	Confident	9 Å²	9	14.5 Å²	14.5	5%	0.047	10%	0.095	C	C	.	.	H	α-helix	trans	-63.8	-32.7	174.4	-75.1	172.3	0	0	0	111.7	L249 P250 I341 K523 F526 L527	L249-L253 HydrophobicContact CD1-CD1 4.12Å; L249-L253 HydrophobicContact CD1-CG 4.17Å; L249-L253 HydrophobicContact CG-CD1 4.02Å; L249-L253 HydrophobicContact CG-CG 4.48Å; L249-L253 WeakPolarHBondContact O-CB 3.27Å; L249-L253 WeakPolarHBondContact O-CG 3.36Å; L249-L253 PolarHBondContact O-N 3.38Å; P250-L253 PolarHBondContact O-N 2.95Å; L253-I341 HydrophobicContact CD2-CG1 4.44Å; L253-K523 HydrophobicContact CB-CG 4.19Å; L253-K523 HydrophobicContact CD1-CD 4.33Å; L253-K523 HydrophobicContact CD2-CG 4.41Å; L253-K523 VanDerWaalsContact O-CA 3.28Å; L253-K523 WeakPolarHBondContact O-CA 3.42Å; L253-F526 HydrophobicContact CD2-CD1 4.34Å; L253-F526 HydrophobicContact CD2-CE1 4.4Å; L253-F526 WeakPolarHBondContact O-CB 3.23Å; L253-F526 WeakPolarHBondContact O-CD1 3.03Å; L253-L527 HydrophobicContact CD2-CD2 4.3Å
254	Q	92.5	Very high	90	Very high	11 Å²	11	19 Å²	19	5%	0.051	11%	0.108	C	C	.	.	H	α-helix	trans	-68.2	-37.4	178.8	-167.8	-170.7	29.4	0	0	113.8	P250 L251 L252 F391 N394 M395 Y519 Q522	P250-Q254 WeakPolarHBondContact O-CB 3.39Å; P250-Q254 PolarHBondContact O-N 2.96Å; L251-Q254 WeakPolarHBondContact O-CB 3.27Å; L251-Q254 PolarHBondContact O-N 2.86Å; L252-Q254 VanDerWaalsContact C-N 3.25Å; L252-Q254 PolarHBondContact O-N 3.26Å; Q254-F391 HydrophobicContact CB-CE2 4.48Å; Q254-F391 VanDerWaalsContact CD-CD2 3.44Å; Q254-F391 HydrophobicContact CG-CD2 4.45Å; Q254-F391 HydrophobicContact CG-CE2 4.27Å; Q254-F391 PolarHBondContact NE2-O 2.84Å; Q254-F391 VanDerWaalsContact NE2-O 3.13Å; Q254-N394 HydrophobicContact CG-CB 4.42Å; Q254-N394 PolarHBondContact OE1-ND2 2.93Å; Q254-M395 VanDerWaalsContact NE2-CG 3.29Å; Q254-Y519 HydrophobicContact CB-CE2 4.34Å; Q254-Q522 HydrophobicContact CG-CB 3.9Å; Q254-Q522 HydrophobicContact CG-CG 4.44Å
255	S	90	Very high	90.1	Very high	48 Å²	48	19.6 Å²	19.6	34%	0.336	11%	0.111	S	C	.	.	H	α-helix	trans	-142.4	-8.9	-162.9	68	0	0	0	0	115.7	L251 L252 S257 N394	L251-S255 PolarHBondContact O-N 2.95Å; L251-S255 PolarHBondContact O-OG 2.89Å; L252-S255 PolarHBondContact O-N 3.34Å; S255-S257 PolarHBondContact O-N 2.89Å; S255-S257 PolarHBondContact OG-N 3.15Å; S255-S257 PolarHBondContact OG-O 3.15Å; S255-N394 WeakPolarHBondContact CB-ND2 3.23Å; S255-N394 PolarHBondContact OG-ND2 3.39Å
256	G	92.2	Very high	89.9	Confident	5 Å²	5	21.3 Å²	21.3	5%	0.052	12%	0.122	C	C	.	.	S	Bend	trans	68.4	6.7	-168.1	0	0	0	0	0	114.1	L252 S262 L263	L252-G256 VanDerWaalsContact O-CA 3.26Å; L252-G256 WeakPolarHBondContact O-CA 3.47Å; L252-G256 PolarHBondContact O-N 2.83Å; G256-S262 CarbonylContact O-C 3.52Å; G256-S262 WeakPolarHBondContact O-CA 3.43Å; G256-L263 PolarHBondContact O-N 3.11Å
257	S	91.5	Very high	89.5	Confident	20 Å²	20	20 Å²	20	14%	0.14	11%	0.109	C	C	.	.	B	Isolated β-bridge	trans	-135.2	149.5	-177.8	-168.4	0	0	0	0	112.1	L251 S255 S262 S279	L251-S257 WeakPolarHBondContact CG-O 3.44Å; S255-S257 PolarHBondContact O-N 2.89Å; S255-S257 PolarHBondContact OG-N 3.15Å; S255-S257 PolarHBondContact OG-O 3.15Å; S257-S262 WeakPolarHBondContact CB-OG 3.04Å; S257-S262 PolarHBondContact OG-OG 2.87Å; S257-S279 PolarHBondContact OG-N 3.32Å
258	T	89.5	Confident	88.6	Confident	1 Å²	1	26.9 Å²	26.9	1%	0.006	15%	0.146	C	C	.	.			trans	-130.4	-178.6	173.2	69.6	0	0	0	0	108.9	F248 L251 L252 L260 F261 G278 S279	F248-T258 HydrophobicContact CB-CG2 3.95Å; F248-T258 HydrophobicContact CD2-CG2 4.29Å; F248-T258 HydrophobicContact CG-CG2 4.06Å; L251-T258 HydrophobicContact CD2-CG2 4.45Å; L252-T258 HydrophobicContact CB-CG2 4.16Å; L252-T258 HydrophobicContact CD1-CG2 4.29Å; T258-L260 PolarHBondContact O-N 3.36Å; T258-L260 PolarHBondContact OG1-N 3.41Å; T258-L260 VanDerWaalsContact OG1-N 3.16Å; T258-F261 PolarHBondContact N-O 3.48Å; T258-F261 PolarHBondContact OG1-N 3.11Å; T258-F261 PolarHBondContact OG1-O 3.24Å; T258-G278 CarbonylContact O-C 3.48Å; T258-G278 WeakPolarHBondContact O-CA 3.31Å; T258-S279 PolarHBondContact O-N 2.92Å
259	T	78.5	Confident	87.7	Confident	4 Å²	4	29.9 Å²	29.9	3%	0.025	18%	0.177	C	C	.	.	S	Bend	trans	-74.1	-13.4	172.1	57.3	0	0	0	0	113.5	F283 M386	T259-F283 HydrophobicContact CG2-CE2 3.57Å; T259-F283 HydrophobicContact CG2-CZ 4.24Å; T259-M386 HydrophobicContact CG2-CE 3.87Å
260	L	84	Confident	87	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.005	20%	0.202	C	C	.	.	S	Bend	trans	-97.6	-53.5	-179	177.4	61.4	0	0	0	110.9	F248 T258 G278 I332 V366	F248-L260 HydrophobicContact CE2-CB 3.63Å; F248-L260 HydrophobicContact CE2-CD2 3.81Å; F248-L260 HydrophobicContact CE2-CG 4.37Å; F248-L260 HydrophobicContact CZ-CB 4.08Å; T258-L260 PolarHBondContact O-N 3.36Å; T258-L260 PolarHBondContact OG1-N 3.41Å; T258-L260 VanDerWaalsContact OG1-N 3.16Å; L260-G278 PolarHBondContact O-N 2.02Å; L260-G278 VanDerWaalsContact O-N 3.13Å; L260-I332 HydrophobicContact CD2-CD1 4.33Å; L260-I332 HydrophobicContact CD2-CG1 4.01Å; L260-V366 HydrophobicContact CD1-CB 4Å; L260-V366 HydrophobicContact CD1-CG1 3.42Å; L260-V366 VanDerWaalsContact CD1-CG1 3.42Å
261	F	87.8	Confident	86.6	Confident	1 Å²	1	35.9 Å²	35.9	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	160.6	-174.9	69.1	-88.7	0	0	0	111.8	F248 L252 T258 L263 I275 S276 G278 W334 L337 L363	F248-F261 HydrophobicContact CD2-CE1 4.27Å; L252-F261 HydrophobicContact CD1-CE2 4.06Å; L252-F261 HydrophobicContact CD2-CE2 4.19Å; L252-F261 HydrophobicContact CD2-CZ 4.26Å; T258-F261 PolarHBondContact N-O 3.48Å; T258-F261 PolarHBondContact OG1-N 3.11Å; T258-F261 PolarHBondContact OG1-O 3.24Å; F261-L263 HydrophobicContact CE2-CB 4.45Å; F261-I275 HydrophobicContact CB-CG2 4.05Å; F261-I275 HydrophobicContact CD2-CG2 4.31Å; F261-I275 HydrophobicContact CG-CG2 4.45Å; F261-S276 CarbonylContact C-O 3.48Å; F261-S276 WeakPolarHBondContact CA-O 2.99Å; F261-S276 WeakPolarHBondContact CB-O 3.15Å; F261-G278 VanDerWaalsContact CA-N 3.32Å; F261-W334 AromaticContact CD1-CH2 3.97Å; F261-W334 HydrophobicContact CD1-CH2 3.97Å; F261-W334 HydrophobicContact CD2-CH2 4.18Å; F261-W334 HydrophobicContact CD2-CZ3 4.33Å; F261-W334 AromaticContact CE1-CH2 3.94Å; F261-W334 HydrophobicContact CE1-CH2 3.94Å; F261-W334 HydrophobicContact CE1-CZ3 4.31Å; F261-W334 HydrophobicContact CE2-CH2 4.15Å; F261-W334 AromaticContact CE2-CZ3 3.95Å; F261-W334 HydrophobicContact CE2-CZ3 3.95Å; F261-W334 HydrophobicContact CG-CH2 4.1Å; F261-W334 HydrophobicContact CZ-CH2 4.02Å; F261-W334 AromaticContact CZ-CZ3 3.94Å; F261-W334 HydrophobicContact CZ-CZ3 3.94Å; F261-L337 HydrophobicContact CZ-CD1 3.79Å; F261-L363 HydrophobicContact CB-CD1 3.94Å
262	S	90.4	Very high	86.3	Confident	15 Å²	15	36.3 Å²	36.3	11%	0.105	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	142.6	168.4	-49.6	0	0	0	0	109.9	G256 S257 I275 S276 L277	G256-S262 CarbonylContact O-C 3.52Å; G256-S262 WeakPolarHBondContact O-CA 3.43Å; S257-S262 WeakPolarHBondContact CB-OG 3.04Å; S257-S262 PolarHBondContact OG-OG 2.87Å; S262-I275 WeakPolarHBondContact O-CA 3.33Å; S262-S276 PolarHBondContact N-O 3.26Å; S262-S276 PolarHBondContact O-N 3.12Å; S262-L277 PolarHBondContact OG-O 3.31Å
263	L	91.1	Very high	86.1	Confident	3 Å²	3	36.4 Å²	36.4	2%	0.016	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	130.9	179.3	-174	153.8	0	0	0	109.6	L252 G256 F261 I273 D274 L337 F338 I341 F526 I530	L252-L263 HydrophobicContact CD1-CB 4Å; G256-L263 PolarHBondContact O-N 3.11Å; F261-L263 HydrophobicContact CE2-CB 4.45Å; L263-I273 HydrophobicContact CD1-CG2 4.17Å; L263-I273 HydrophobicContact CG-CG2 4.09Å; L263-D274 WeakPolarHBondContact CA-O 3.28Å; L263-L337 HydrophobicContact CD1-CD2 4.31Å; L263-F338 HydrophobicContact CD1-CD1 4.14Å; L263-F338 HydrophobicContact CD1-CE1 3.67Å; L263-I341 HydrophobicContact CD1-CD1 4.09Å; L263-F526 HydrophobicContact CD2-CZ 4.15Å; L263-I530 HydrophobicContact CD2-CD1 4.36Å
264	K	90.6	Very high	85.9	Confident	142 Å²	142	37.1 Å²	37.1	62%	0.617	22%	0.218	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-136	157	170	-67.5	-176.1	179	178.7	0	109.7	D274	K264-D274 PolarHBondContact N-O 2.67Å; K264-D274 PolarHBondContact O-N 3.22Å
265	L	89.4	Confident	85.7	Confident	14 Å²	14	37 Å²	37	7%	0.073	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	123	168.8	-164.1	82	0	0	0	108.6	S272 I273 F342 M353 I530 S533 L534	L265-S272 WeakPolarHBondContact CA-O 3.22Å; L265-S272 WeakPolarHBondContact CD1-O 3.39Å; L265-I273 HydrophobicContact CD1-CB 4.49Å; L265-I273 HydrophobicContact CD1-CG1 3.68Å; L265-F342 HydrophobicContact CD1-CZ 4.5Å; L265-M353 HydrophobicContact CD1-SD 3.92Å; L265-I530 HydrophobicContact CB-CB 4.5Å; L265-I530 HydrophobicContact CB-CG2 4.01Å; L265-I530 HydrophobicContact CD2-CG2 3.73Å; L265-I530 WeakPolarHBondContact CD2-O 3.32Å; L265-I530 HydrophobicContact CG-CG2 4.38Å; L265-S533 WeakPolarHBondContact O-CB 3.32Å; L265-S533 PolarHBondContact O-OG 2.91Å; L265-L534 HydrophobicContact CD2-CD1 4.24Å; L265-L534 HydrophobicContact CD2-CD2 3.27Å; L265-L534 HydrophobicContact CD2-CG 3.42Å; L265-L534 VanDerWaalsContact CD2-CG 3.42Å
266	V	84.6	Confident	85.6	Confident	41 Å²	41	36.4 Å²	36.4	25%	0.248	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	148.4	179.4	-175.7	0	0	0	0	108.2	P271 S272 D274	V266-P271 CarbonylContact O-C 3.3Å; V266-P271 WeakPolarHBondContact O-CA 3.39Å; V266-S272 PolarHBondContact N-O 3.15Å; V266-S272 PolarHBondContact O-N 3.43Å; V266-D274 HydrophobicContact CG2-CB 4.15Å
267	N	80	Confident	85.1	Confident	46 Å²	46	38.3 Å²	38.3	25%	0.246	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	92.8	176.3	-175.4	-0.3	0	0	0	109.3	G269 N270 S533 T536	N267-G269 VanDerWaalsContact C-N 3.3Å; N267-G269 PolarHBondContact OD1-N 3.24Å; N267-G269 VanDerWaalsContact OD1-N 3.15Å; N267-N270 PolarHBondContact OD1-N 3.4Å; N267-S533 WeakPolarHBondContact CB-O 3.43Å; N267-S533 PolarHBondContact ND2-O 2.96Å; N267-T536 WeakPolarHBondContact ND2-CG2 3.36Å
268	D	69.6	Low	84.7	Confident	155 Å²	155	38 Å²	38	83%	0.829	22%	0.223	S	C	*	.	S	Bend	trans	-99.3	36.1	175	-64.6	-24.8	0	0	0	110.6
269	G	71.8	Confident	84.1	Confident	63 Å²	63	39.8 Å²	39.8	65%	0.649	24%	0.235	S	C	*	.	S	Bend	trans	112	-28.2	-175.8	0	0	0	0	0	113.3	N267	N267-G269 VanDerWaalsContact C-N 3.3Å; N267-G269 PolarHBondContact OD1-N 3.24Å; N267-G269 VanDerWaalsContact OD1-N 3.15Å
270	N	79.5	Confident	83.8	Confident	136 Å²	136	41.7 Å²	41.7	73%	0.727	25%	0.245	S	C	*	.	S	Bend	trans	-133.5	128.9	167.5	-78	-39.7	0	0	0	109.3	N267 S272	N267-N270 PolarHBondContact OD1-N 3.4Å; N270-S272 PolarHBondContact O-N 3.47Å
271	P	84.4	Confident	83.3	Confident	38 Å²	38	47.5 Å²	47.5	25%	0.247	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	127.9	178.2	-24.3	33.3	0	0	0	113.3	V266 M353 L534	V266-P271 CarbonylContact O-C 3.3Å; V266-P271 WeakPolarHBondContact O-CA 3.39Å; P271-M353 HydrophobicContact CB-CE 4.03Å; P271-L534 HydrophobicContact CB-CD2 4.29Å
272	S	87.6	Confident	82.5	Confident	10 Å²	10	47.5 Å²	47.5	7%	0.07	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	148.8	174.6	64.8	0	0	0	0	111.9	L265 V266 N270 D274 E354	L265-S272 WeakPolarHBondContact CA-O 3.22Å; L265-S272 WeakPolarHBondContact CD1-O 3.39Å; V266-S272 PolarHBondContact N-O 3.15Å; V266-S272 PolarHBondContact O-N 3.43Å; N270-S272 PolarHBondContact O-N 3.47Å; S272-D274 PolarHBondContact OG-OD1 3Å; S272-E354 CarbonylContact C-O 3.6Å; S272-E354 WeakPolarHBondContact CA-O 3.32Å
273	I	89	Confident	81.4	Confident	2 Å²	2	47.3 Å²	47.3	1%	0.01	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	113	172.1	-58.3	170	0	0	0	108.5	L263 L265 F338 F342 M353 E354 I355 I356	L263-I273 HydrophobicContact CD1-CG2 4.17Å; L263-I273 HydrophobicContact CG-CG2 4.09Å; L265-I273 HydrophobicContact CD1-CB 4.49Å; L265-I273 HydrophobicContact CD1-CG1 3.68Å; I273-F338 HydrophobicContact CD1-CD1 4.47Å; I273-F338 HydrophobicContact CD1-CE1 4.41Å; I273-F338 HydrophobicContact CG2-CE1 3.99Å; I273-F338 HydrophobicContact CG2-CZ 4.41Å; I273-F342 HydrophobicContact CD1-CE2 3.73Å; I273-F342 HydrophobicContact CD1-CZ 3.85Å; I273-F342 HydrophobicContact CG1-CZ 4.22Å; I273-M353 HydrophobicContact CD1-CB 4.35Å; I273-M353 HydrophobicContact CD1-SD 4.42Å; I273-M353 HydrophobicContact CG1-CB 4.35Å; I273-M353 HydrophobicContact CG1-SD 4.23Å; I273-E354 PolarHBondContact N-O 3.08Å; I273-I355 HydrophobicContact CB-CG1 4.3Å; I273-I355 HydrophobicContact CD1-CG1 4.45Å; I273-I355 CarbonylContact O-C 3.08Å; I273-I355 VanDerWaalsContact O-CA 3.31Å; I273-I355 WeakPolarHBondContact O-CA 3.5Å; I273-I356 PolarHBondContact O-N 3.2Å
274	D	90.1	Very high	80.2	Confident	24 Å²	24	53 Å²	53	13%	0.128	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	121	-179.3	-81.6	38.4	0	0	0	110.5	L263 K264 V266 S272 I356 H358	L263-D274 WeakPolarHBondContact CA-O 3.28Å; K264-D274 PolarHBondContact N-O 2.67Å; K264-D274 PolarHBondContact O-N 3.22Å; V266-D274 HydrophobicContact CG2-CB 4.15Å; S272-D274 PolarHBondContact OG-OD1 3Å; D274-I356 CarbonylContact C-O 3.44Å; D274-I356 WeakPolarHBondContact CA-O 2.99Å; D274-H358 IonicContact OD2-CD2 3.29Å; D274-H358 IonicContact OD2-CE1 2.61Å; D274-H358 IonicContact OD2-NE2 2.65Å; D274-H358 PolarHBondContact OD2-NE2 3.29Å
275	I	88.9	Confident	79	Confident	7 Å²	7	48.6 Å²	48.6	4%	0.036	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	125.9	174	-57.7	176.3	0	0	0	108.5	F261 S262 W334 F338 I355 I356 V357 H358 L363	F261-I275 HydrophobicContact CB-CG2 4.05Å; F261-I275 HydrophobicContact CD2-CG2 4.31Å; F261-I275 HydrophobicContact CG-CG2 4.45Å; S262-I275 WeakPolarHBondContact O-CA 3.33Å; I275-W334 HydrophobicContact CD1-CE3 4.26Å; I275-W334 HydrophobicContact CD1-CH2 4.02Å; I275-W334 HydrophobicContact CD1-CZ3 3.68Å; I275-W334 HydrophobicContact CG2-CH2 4.46Å; I275-F338 HydrophobicContact CD1-CZ 4.21Å; I275-I355 HydrophobicContact CD1-CG2 3.72Å; I275-I355 HydrophobicContact CG1-CG2 4.2Å; I275-I356 PolarHBondContact N-O 3.25Å; I275-V357 HydrophobicContact CB-CG2 4.33Å; I275-V357 HydrophobicContact CD1-CG2 4.46Å; I275-V357 WeakPolarHBondContact O-CA 3.5Å; I275-H358 PolarHBondContact O-CD2 3.11Å; I275-H358 PolarHBondContact O-N 2.88Å; I275-L363 HydrophobicContact CG2-CD2 4.02Å
276	S	86.6	Confident	77.7	Confident	37 Å²	37	49.5 Å²	49.5	26%	0.259	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	176.3	177.4	55.2	0	0	0	0	110.6	F261 S262	F261-S276 CarbonylContact C-O 3.48Å; F261-S276 WeakPolarHBondContact CA-O 2.99Å; F261-S276 WeakPolarHBondContact CB-O 3.15Å; S262-S276 PolarHBondContact N-O 3.26Å; S262-S276 PolarHBondContact O-N 3.12Å
277	L	83.2	Confident	76.4	Confident	45 Å²	45	49.3 Å²	49.3	24%	0.236	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	144.4	177.7	-165.2	65.9	0	0	0	111.5	S262 L312 V366	S262-L277 PolarHBondContact OG-O 3.31Å; L277-L312 HydrophobicContact CD1-CD1 4.35Å; L277-L312 HydrophobicContact CD2-CB 3.8Å; L277-L312 HydrophobicContact CD2-CD1 4Å; L277-V366 HydrophobicContact CD1-CB 4.47Å; L277-V366 HydrophobicContact CD1-CG2 3.84Å
278	G	81.4	Confident	75.5	Confident	14 Å²	14	51.5 Å²	51.5	14%	0.144	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-67.1	166.9	175.3	0	0	0	0	0	113.1	T258 L260 F261	T258-G278 CarbonylContact O-C 3.48Å; T258-G278 WeakPolarHBondContact O-CA 3.31Å; L260-G278 PolarHBondContact O-N 2.02Å; L260-G278 VanDerWaalsContact O-N 3.13Å; F261-G278 VanDerWaalsContact CA-N 3.32Å
279	S	78.4	Confident	74.7	Confident	37 Å²	37	47.8 Å²	47.8	26%	0.259	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-94.5	137.9	175	-177.6	0	0	0	0	111.7	S257 T258 E281	S257-S279 PolarHBondContact OG-N 3.32Å; T258-S279 PolarHBondContact O-N 2.92Å; S279-E281 WeakPolarHBondContact OG-CB 3.5Å; S279-E281 VanDerWaalsContact OG-CG 3.28Å; S279-E281 WeakPolarHBondContact OG-CG 3.29Å; S279-E281 PolarHBondContact OG-N 3.24Å
280	L	71.6	Confident	73.7	Confident	44 Å²	44	47.4 Å²	47.4	23%	0.23	28%	0.284	C	S	.	.			trans	-107.7	8.3	170.6	-68.4	175.2	0	0	0	112.7	A282 F283 D284 L306 L309 M386	L280-A282 PolarHBondContact O-N 2.99Å; L280-A282 VanDerWaalsContact O-N 3.08Å; L280-F283 HydrophobicContact CD2-CD2 3.94Å; L280-F283 HydrophobicContact CD2-CE2 4.38Å; L280-F283 PolarHBondContact O-N 2.95Å; L280-D284 PolarHBondContact O-N 3.28Å; L280-D284 VanDerWaalsContact O-N 3.16Å; L280-L306 HydrophobicContact CD2-CD2 4.33Å; L280-L309 HydrophobicContact CD1-CB 4.24Å; L280-L309 HydrophobicContact CD1-CD1 4.34Å; L280-L309 HydrophobicContact CD2-CD1 4.03Å; L280-M386 HydrophobicContact CD2-CE 4.32Å
281	E	73.4	Confident	72.2	Confident	123 Å²	123	45.4 Å²	45.4	58%	0.575	28%	0.28	S	S	*	.	H	α-helix	trans	-52.1	-37.6	-176.9	-75.8	175.5	-161.1	0	0	113.3	S279 F283 D284 A285 F393	S279-E281 WeakPolarHBondContact OG-CB 3.5Å; S279-E281 VanDerWaalsContact OG-CG 3.28Å; S279-E281 WeakPolarHBondContact OG-CG 3.29Å; S279-E281 PolarHBondContact OG-N 3.24Å; E281-F283 PolarHBondContact O-N 3.27Å; E281-D284 PolarHBondContact O-N 3.33Å; E281-A285 WeakPolarHBondContact O-CB 3.28Å; E281-A285 PolarHBondContact O-N 2.04Å; E281-F393 HydrophobicContact CB-CE1 4.04Å; E281-F393 HydrophobicContact CB-CZ 4.43Å
282	A	70.8	Confident	70.7	Confident	2 Å²	2	50.2 Å²	50.2	2%	0.017	30%	0.304	C	S	.	.	H	α-helix	trans	-58	-38.8	177.6	0	0	0	0	0	112.5	L280 V286 F393	L280-A282 PolarHBondContact O-N 2.99Å; L280-A282 VanDerWaalsContact O-N 3.08Å; A282-V286 WeakPolarHBondContact O-CB 3.48Å; A282-V286 WeakPolarHBondContact O-CG2 3.38Å; A282-V286 PolarHBondContact O-N 3.38Å; A282-V286 VanDerWaalsContact O-N 3.13Å; A282-F393 VanDerWaalsContact CA-CD1 3.49Å; A282-F393 VanDerWaalsContact CA-CG 3.48Å; A282-F393 HydrophobicContact CB-CB 3.47Å; A282-F393 VanDerWaalsContact CB-CB 3.47Å; A282-F393 HydrophobicContact CB-CD1 3.55Å; A282-F393 HydrophobicContact CB-CD2 4.25Å; A282-F393 HydrophobicContact CB-CE1 4.26Å; A282-F393 HydrophobicContact CB-CG 3.5Å; A282-F393 VanDerWaalsContact CB-CG 3.5Å
283	F	66.6	Low	68.8	Low	10 Å²	10	52.2 Å²	52.2	4%	0.044	33%	0.326	C	S	.	.	H	α-helix	trans	-80.5	-38.6	-179.3	-61	-77.5	0	0	0	111.7	T259 L280 E281 A285 V286 A287 L302 L306 M386 I389	T259-F283 HydrophobicContact CG2-CE2 3.57Å; T259-F283 HydrophobicContact CG2-CZ 4.24Å; L280-F283 HydrophobicContact CD2-CD2 3.94Å; L280-F283 HydrophobicContact CD2-CE2 4.38Å; L280-F283 PolarHBondContact O-N 2.95Å; E281-F283 PolarHBondContact O-N 3.27Å; F283-A285 PolarHBondContact O-N 2.72Å; F283-V286 PolarHBondContact O-N 3.07Å; F283-A287 WeakPolarHBondContact O-CA 3.42Å; F283-A287 WeakPolarHBondContact O-CB 3.34Å; F283-A287 PolarHBondContact O-N 3.41Å; F283-L302 HydrophobicContact CE1-CD2 4.31Å; F283-L306 HydrophobicContact CB-CD1 3.94Å; F283-L306 HydrophobicContact CB-CD2 4.19Å; F283-L306 HydrophobicContact CD1-CD1 3.43Å; F283-L306 VanDerWaalsContact CD1-CD1 3.43Å; F283-L306 HydrophobicContact CD1-CD2 3.85Å; F283-L306 HydrophobicContact CD1-CG 4.26Å; F283-L306 HydrophobicContact CD2-CD2 3.89Å; F283-L306 HydrophobicContact CE1-CD1 4.19Å; F283-L306 HydrophobicContact CE1-CD2 4.23Å; F283-L306 HydrophobicContact CE2-CD2 4.3Å; F283-L306 HydrophobicContact CG-CD1 3.78Å; F283-L306 HydrophobicContact CG-CD2 3.66Å; F283-L306 HydrophobicContact CG-CG 4.39Å; F283-L306 HydrophobicContact CZ-CD2 4.45Å; F283-M386 HydrophobicContact CD2-CE 4.49Å; F283-M386 HydrophobicContact CE1-CB 4.14Å; F283-M386 HydrophobicContact CE1-CG 3.81Å; F283-M386 HydrophobicContact CE2-CB 4.37Å; F283-M386 HydrophobicContact CE2-CE 3.87Å; F283-M386 HydrophobicContact CE2-CG 4.47Å; F283-M386 VanDerWaalsContact CZ-CA 3.47Å; F283-M386 HydrophobicContact CZ-CB 3.51Å; F283-M386 HydrophobicContact CZ-CE 3.93Å; F283-M386 HydrophobicContact CZ-CG 3.59Å; F283-M386 WeakPolarHBondContact CZ-O 3.45Å; F283-I389 HydrophobicContact CD1-CG2 4.32Å; F283-I389 HydrophobicContact CE1-CB 4.07Å; F283-I389 HydrophobicContact CE1-CD1 4.14Å; F283-I389 HydrophobicContact CE1-CG2 3.87Å; F283-I389 HydrophobicContact CZ-CB 4.32Å; F283-I389 HydrophobicContact CZ-CG2 4.3Å
284	D	66.5	Low	66.9	Low	122 Å²	122	61.6 Å²	61.6	65%	0.652	37%	0.367	S	S	*	.	H	α-helix	trans	-58.6	-37.5	174.6	-68.7	-23.7	0	0	0	110.9	L280 E281	L280-D284 PolarHBondContact O-N 3.28Å; L280-D284 VanDerWaalsContact O-N 3.16Å; E281-D284 PolarHBondContact O-N 3.33Å
285	A	65.3	Low	65.1	Low	51 Å²	51	67.5 Å²	67.5	42%	0.421	39%	0.392	S	S	.	.	H	α-helix	trans	-74.3	-37.2	177	0	0	0	0	0	114	E281 F283 F393	E281-A285 WeakPolarHBondContact O-CB 3.28Å; E281-A285 PolarHBondContact O-N 2.04Å; F283-A285 PolarHBondContact O-N 2.72Å; A285-F393 HydrophobicContact CB-CD2 4.15Å; A285-F393 HydrophobicContact CB-CE2 3.31Å; A285-F393 HydrophobicContact CB-CZ 3.84Å
286	V	62	Low	63.1	Low	33 Å²	33	71 Å²	71	20%	0.2	41%	0.41	C	S	.	.	H	α-helix	trans	-88.9	-21.8	-174.9	174.9	0	0	0	0	112.2	A282 F283 P288 S289 M290 I389	A282-V286 WeakPolarHBondContact O-CB 3.48Å; A282-V286 WeakPolarHBondContact O-CG2 3.38Å; A282-V286 PolarHBondContact O-N 3.38Å; A282-V286 VanDerWaalsContact O-N 3.13Å; F283-V286 PolarHBondContact O-N 3.07Å; V286-P288 VanDerWaalsContact C-N 3.33Å; V286-P288 VanDerWaalsContact O-N 3.17Å; V286-S289 PolarHBondContact O-N 3.12Å; V286-S289 PolarHBondContact O-OG 2.93Å; V286-M290 HydrophobicContact CG1-CE 3.89Å; V286-M290 HydrophobicContact CG1-CG 3.76Å; V286-M290 HydrophobicContact CG1-SD 3.87Å; V286-M290 PolarHBondContact O-N 3.41Å; V286-I389 HydrophobicContact CG2-CG2 4.49Å
287	A	58.7	Low	61.5	Low	36 Å²	36	74.4 Å²	74.4	30%	0.298	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.9	-44.9	-177.6	0	0	0	0	0	114.8	F283 S289 F303	F283-A287 WeakPolarHBondContact O-CA 3.42Å; F283-A287 WeakPolarHBondContact O-CB 3.34Å; F283-A287 PolarHBondContact O-N 3.41Å; A287-S289 PolarHBondContact O-N 3.45Å; A287-F303 HydrophobicContact CB-CE1 3.64Å; A287-F303 HydrophobicContact CB-CZ 4.17Å
288	P	59.7	Low	59.8	Low	92 Å²	92	74 Å²	74	60%	0.597	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-40.3	179	-22.7	35	0	0	0	112.9	V286 S291	V286-P288 VanDerWaalsContact C-N 3.33Å; V286-P288 VanDerWaalsContact O-N 3.17Å; P288-S291 PolarHBondContact O-OG 2.91Å
289	S	53.4	Low	58.4	Low	77 Å²	77	74 Å²	74	54%	0.538	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-74.6	-26	-171.9	70	0	0	0	0	114.5	V286 A287 S291	V286-S289 PolarHBondContact O-N 3.12Å; V286-S289 PolarHBondContact O-OG 2.93Å; A287-S289 PolarHBondContact O-N 3.45Å; S289-S291 VanDerWaalsContact C-N 3.31Å; S289-S291 PolarHBondContact O-N 3.4Å
290	M	50.8	Low	57.3	Low	55 Å²	55	77.7 Å²	77.7	27%	0.271	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-82.7	-7.6	-178.4	-72.1	-172.9	154.8	0	0	113.9	V286 D292 A299 F303 I389	V286-M290 HydrophobicContact CG1-CE 3.89Å; V286-M290 HydrophobicContact CG1-CG 3.76Å; V286-M290 HydrophobicContact CG1-SD 3.87Å; V286-M290 PolarHBondContact O-N 3.41Å; M290-D292 PolarHBondContact O-N 3.44Å; M290-A299 HydrophobicContact CB-CB 4.44Å; M290-F303 HydrophobicContact CB-CE2 3.46Å; M290-F303 VanDerWaalsContact CB-CE2 3.46Å; M290-F303 HydrophobicContact CB-CZ 3.71Å; M290-F303 HydrophobicContact CG-CE2 4.27Å; M290-F303 HydrophobicContact CG-CZ 4.26Å; M290-F303 HydrophobicContact SD-CE2 3.88Å; M290-F303 HydrophobicContact SD-CZ 3.84Å; M290-I389 HydrophobicContact CE-CD1 3.73Å; M290-I389 HydrophobicContact CE-CG1 4.48Å
291	S	49	Very low	56.7	Low	94 Å²	94	79 Å²	79	66%	0.657	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-74.3	-10	176.8	68.5	0	0	0	0	113.7	P288 S289 G293	P288-S291 PolarHBondContact O-OG 2.91Å; S289-S291 VanDerWaalsContact C-N 3.31Å; S289-S291 PolarHBondContact O-N 3.4Å; S291-G293 PolarHBondContact O-N 3.03Å
292	D	51.3	Low	56	Low	140 Å²	140	73.1 Å²	73.1	75%	0.749	42%	0.417	S	S	*	.	S	Bend	trans	-76.7	80.7	178.7	-99.8	-16.2	0	0	0	112.5	M290 K294	M290-D292 PolarHBondContact O-N 3.44Å; D292-K294 VanDerWaalsContact C-N 3.26Å; D292-K294 PolarHBondContact O-N 3.45Å
293	G	47.6	Very low	55.5	Low	51 Å²	51	75.9 Å²	75.9	53%	0.526	43%	0.429	S	S	.	.	S	Bend	trans	52.8	-15.8	138.5	0	0	0	0	0	123.1	S291 I296	S291-G293 PolarHBondContact O-N 3.03Å; G293-I296 VanDerWaalsContact O-CD1 3.26Å; G293-I296 WeakPolarHBondContact O-CD1 3.45Å
294	K	50.5	Low	55.3	Low	200 Å²	200	78.1 Å²	78.1	87%	0.87	45%	0.449	S	S	*	.	S	Bend	trans	-120.9	-9.8	-167.1	-77.6	-176.4	178.2	176.3	0	115.6	D292	D292-K294 VanDerWaalsContact C-N 3.26Å; D292-K294 PolarHBondContact O-N 3.45Å
295	K	51.2	Low	55	Low	148 Å²	148	73 Å²	73	64%	0.643	42%	0.421	S	S	*	.	S	Bend	trans	-132.1	34.2	176.6	-67.1	-175.2	179.7	176.9	0	112.7	N297	K295-N297 PolarHBondContact O-N 3.1Å
296	I	48	Very low	54.6	Low	81 Å²	81	71.6 Å²	71.6	42%	0.415	41%	0.406	S	S	.	.	H	α-helix	trans	-56.1	-50.2	-158.8	-65.8	176.3	0	0	0	113.9	G293 A298 A299 E300	G293-I296 VanDerWaalsContact O-CD1 3.26Å; G293-I296 WeakPolarHBondContact O-CD1 3.45Å; I296-A298 PolarHBondContact O-N 2.94Å; I296-A299 PolarHBondContact O-N 3.18Å; I296-E300 HydrophobicContact CG2-CG 3.94Å; I296-E300 WeakPolarHBondContact CG2-OE1 3.39Å; I296-E300 WeakPolarHBondContact CG2-OE2 3.37Å; I296-E300 VanDerWaalsContact O-CB 3.29Å; I296-E300 WeakPolarHBondContact O-CB 3.28Å; I296-E300 WeakPolarHBondContact O-CG 3.49Å; I296-E300 PolarHBondContact O-N 3.37Å
297	N	51.5	Low	54.6	Low	107 Å²	107	78.7 Å²	78.7	57%	0.572	43%	0.434	S	S	*	.	H	α-helix	trans	-67.4	-41.8	-165	-168	-5.5	0	0	0	114.3	K295 Q301	K295-N297 PolarHBondContact O-N 3.1Å; N297-Q301 WeakPolarHBondContact O-CG 3.09Å; N297-Q301 PolarHBondContact O-N 3.45Å; N297-Q301 PolarHBondContact OD1-NE2 2.92Å
298	A	48.9	Very low	54.9	Low	38 Å²	38	84.1 Å²	84.1	31%	0.314	45%	0.451	S	S	.	.	H	α-helix	trans	-79.4	-34.3	-178.3	0	0	0	0	0	112.2	L221 I296 Q301 L302	L221-A298 HydrophobicContact CD2-CB 3.35Å; I296-A298 PolarHBondContact O-N 2.94Å; A298-Q301 PolarHBondContact O-N 3.14Å; A298-L302 WeakPolarHBondContact O-CB 3.28Å; A298-L302 PolarHBondContact O-N 3.36Å; A298-L302 VanDerWaalsContact O-N 3.07Å
299	A	50.4	Low	54.7	Low	12 Å²	12	80.1 Å²	80.1	10%	0.099	42%	0.424	C	S	.	.	H	α-helix	trans	-63.9	-43.7	171.7	0	0	0	0	0	111.2	M290 I296 Q301 L302 F303	M290-A299 HydrophobicContact CB-CB 4.44Å; I296-A299 PolarHBondContact O-N 3.18Å; A299-Q301 VanDerWaalsContact C-N 3.34Å; A299-Q301 PolarHBondContact O-N 3.16Å; A299-L302 WeakPolarHBondContact O-CB 3.04Å; A299-L302 PolarHBondContact O-N 3.47Å; A299-F303 HydrophobicContact CB-CE2 4.37Å; A299-F303 WeakPolarHBondContact O-CD2 3.39Å; A299-F303 PolarHBondContact O-N 3.08Å
300	E	57.1	Low	54.7	Low	116 Å²	116	77.9 Å²	77.9	54%	0.542	41%	0.414	S	S	.	.	H	α-helix	trans	-59	-42.9	175.8	-79.2	175.6	162.7	0	0	112.5	I296 L302 F303 A304	I296-E300 HydrophobicContact CG2-CG 3.94Å; I296-E300 WeakPolarHBondContact CG2-OE1 3.39Å; I296-E300 WeakPolarHBondContact CG2-OE2 3.37Å; I296-E300 VanDerWaalsContact O-CB 3.29Å; I296-E300 WeakPolarHBondContact O-CB 3.28Å; I296-E300 WeakPolarHBondContact O-CG 3.49Å; I296-E300 PolarHBondContact O-N 3.37Å; E300-L302 VanDerWaalsContact C-N 3.34Å; E300-F303 PolarHBondContact O-N 2.8Å; E300-A304 VanDerWaalsContact O-CB 3.29Å; E300-A304 WeakPolarHBondContact O-CB 3.41Å; E300-A304 PolarHBondContact O-N 2.76Å
301	Q	59.1	Low	54.6	Low	70 Å²	70	81.7 Å²	81.7	33%	0.327	44%	0.443	S	S	.	.	H	α-helix	trans	-64.6	-40	176.4	-72.2	176.9	43.5	0	0	112.1	N297 A298 A299 A304 Y305	N297-Q301 WeakPolarHBondContact O-CG 3.09Å; N297-Q301 PolarHBondContact O-N 3.45Å; N297-Q301 PolarHBondContact OD1-NE2 2.92Å; A298-Q301 PolarHBondContact O-N 3.14Å; A299-Q301 VanDerWaalsContact C-N 3.34Å; A299-Q301 PolarHBondContact O-N 3.16Å; Q301-A304 PolarHBondContact O-N 3.25Å; Q301-Y305 WeakPolarHBondContact O-CB 3.08Å; Q301-Y305 PolarHBondContact O-N 2.89Å
302	L	57.1	Low	54.5	Low	1 Å²	1	79.7 Å²	79.7	1%	0.005	43%	0.425	C	S	.	.	H	α-helix	trans	-62.7	-48.1	174.7	-168.9	68.6	0	0	0	111.1	L221 F283 A298 A299 E300 A304 Y305 L306 N382 A385 M386 I389	L221-L302 HydrophobicContact CD1-CD2 4.28Å; F283-L302 HydrophobicContact CE1-CD2 4.31Å; A298-L302 WeakPolarHBondContact O-CB 3.28Å; A298-L302 PolarHBondContact O-N 3.36Å; A298-L302 VanDerWaalsContact O-N 3.07Å; A299-L302 WeakPolarHBondContact O-CB 3.04Å; A299-L302 PolarHBondContact O-N 3.47Å; E300-L302 VanDerWaalsContact C-N 3.34Å; L302-A304 PolarHBondContact O-N 3.12Å; L302-Y305 WeakPolarHBondContact O-CB 3.4Å; L302-Y305 PolarHBondContact O-N 3.33Å; L302-Y305 VanDerWaalsContact O-N 3.17Å; L302-L306 HydrophobicContact CG-CD1 4.16Å; L302-L306 VanDerWaalsContact O-CG 3.28Å; L302-L306 WeakPolarHBondContact O-CG 3.46Å; L302-L306 PolarHBondContact O-N 2.88Å; L302-N382 HydrophobicContact CD1-CB 4.31Å; L302-A385 HydrophobicContact CD1-CB 4.33Å; L302-M386 HydrophobicContact CD1-CG 3.32Å; L302-M386 HydrophobicContact CD1-SD 4.18Å; L302-M386 HydrophobicContact CG-CG 4.35Å; L302-I389 HydrophobicContact CD2-CD1 3.5Å
303	F	60.7	Low	53.9	Low	60 Å²	60	82.1 Å²	82.1	26%	0.263	43%	0.428	S	S	.	.	H	α-helix	trans	-64.4	-39.8	177	-77.8	-63.8	0	0	0	113	A287 M290 A299 E300 Y305 L306 K307	A287-F303 HydrophobicContact CB-CE1 3.64Å; A287-F303 HydrophobicContact CB-CZ 4.17Å; M290-F303 HydrophobicContact CB-CE2 3.46Å; M290-F303 VanDerWaalsContact CB-CE2 3.46Å; M290-F303 HydrophobicContact CB-CZ 3.71Å; M290-F303 HydrophobicContact CG-CE2 4.27Å; M290-F303 HydrophobicContact CG-CZ 4.26Å; M290-F303 HydrophobicContact SD-CE2 3.88Å; M290-F303 HydrophobicContact SD-CZ 3.84Å; A299-F303 HydrophobicContact CB-CE2 4.37Å; A299-F303 WeakPolarHBondContact O-CD2 3.39Å; A299-F303 PolarHBondContact O-N 3.08Å; E300-F303 PolarHBondContact O-N 2.8Å; F303-Y305 PolarHBondContact O-N 2.85Å; F303-L306 HydrophobicContact CD1-CD1 4.06Å; F303-L306 HydrophobicContact CE1-CD1 4.27Å; F303-L306 PolarHBondContact O-N 2.73Å; F303-K307 WeakPolarHBondContact O-CB 3.38Å; F303-K307 PolarHBondContact O-N 2.92Å
304	A	61.7	Low	53.6	Low	57 Å²	57	86.4 Å²	86.4	47%	0.471	44%	0.439	S	S	.	.	H	α-helix	trans	-60.8	-37.2	174.6	0	0	0	0	0	111.3	E300 Q301 L302	E300-A304 VanDerWaalsContact O-CB 3.29Å; E300-A304 WeakPolarHBondContact O-CB 3.41Å; E300-A304 PolarHBondContact O-N 2.76Å; Q301-A304 PolarHBondContact O-N 3.25Å; L302-A304 PolarHBondContact O-N 3.12Å
305	Y	60.7	Low	52.6	Low	13 Å²	13	86.5 Å²	86.5	5%	0.051	44%	0.44	C	S	.	.	H	α-helix	trans	-68.9	-48.3	173.1	179.1	-96.2	0	0	0	112.2	Q301 L302 F303 K307 K308 L309 I369 A373 L383 M386	Q301-Y305 WeakPolarHBondContact O-CB 3.08Å; Q301-Y305 PolarHBondContact O-N 2.89Å; L302-Y305 WeakPolarHBondContact O-CB 3.4Å; L302-Y305 PolarHBondContact O-N 3.33Å; L302-Y305 VanDerWaalsContact O-N 3.17Å; F303-Y305 PolarHBondContact O-N 2.85Å; Y305-K307 VanDerWaalsContact C-N 3.25Å; Y305-K307 PolarHBondContact O-N 3.12Å; Y305-K308 WeakPolarHBondContact O-CA 3.25Å; Y305-K308 VanDerWaalsContact O-CB 3.26Å; Y305-K308 WeakPolarHBondContact O-CB 3.42Å; Y305-K308 PolarHBondContact O-N 3.28Å; Y305-L309 HydrophobicContact CE1-CD1 4.17Å; Y305-I369 HydrophobicContact CD2-CG2 4.44Å; Y305-I369 HydrophobicContact CE2-CG2 3.53Å; Y305-A373 HydrophobicContact CE2-CB 3.76Å; Y305-L383 HydrophobicContact CE1-CD2 4.33Å; Y305-L383 WeakPolarHBondContact OH-CD2 3.39Å; Y305-M386 HydrophobicContact CD1-CE 4.47Å; Y305-M386 HydrophobicContact CD1-SD 3.32Å; Y305-M386 WeakPolarHBondContact CD1-SD 3.39Å; Y305-M386 HydrophobicContact CE1-CE 4.14Å; Y305-M386 HydrophobicContact CE1-SD 3.27Å; Y305-M386 WeakPolarHBondContact CE1-SD 3.01Å
306	L	57.3	Low	51.6	Low	22 Å²	22	88.3 Å²	88.3	12%	0.115	45%	0.448	C	S	.	.	H	α-helix	trans	-58.2	-38.2	177.6	-69.2	166.4	0	0	0	112	L280 F283 L302 F303 K308 L309 G310 M386	L280-L306 HydrophobicContact CD2-CD2 4.33Å; F283-L306 HydrophobicContact CB-CD1 3.94Å; F283-L306 HydrophobicContact CB-CD2 4.19Å; F283-L306 HydrophobicContact CD1-CD1 3.43Å; F283-L306 VanDerWaalsContact CD1-CD1 3.43Å; F283-L306 HydrophobicContact CD1-CD2 3.85Å; F283-L306 HydrophobicContact CD1-CG 4.26Å; F283-L306 HydrophobicContact CD2-CD2 3.89Å; F283-L306 HydrophobicContact CE1-CD1 4.19Å; F283-L306 HydrophobicContact CE1-CD2 4.23Å; F283-L306 HydrophobicContact CE2-CD2 4.3Å; F283-L306 HydrophobicContact CG-CD1 3.78Å; F283-L306 HydrophobicContact CG-CD2 3.66Å; F283-L306 HydrophobicContact CG-CG 4.39Å; F283-L306 HydrophobicContact CZ-CD2 4.45Å; L302-L306 HydrophobicContact CG-CD1 4.16Å; L302-L306 VanDerWaalsContact O-CG 3.28Å; L302-L306 WeakPolarHBondContact O-CG 3.46Å; L302-L306 PolarHBondContact O-N 2.88Å; F303-L306 HydrophobicContact CD1-CD1 4.06Å; F303-L306 HydrophobicContact CE1-CD1 4.27Å; F303-L306 PolarHBondContact O-N 2.73Å; L306-K308 PolarHBondContact O-N 2.96Å; L306-L309 HydrophobicContact CD2-CD1 4.23Å; L306-L309 VanDerWaalsContact O-CB 3.31Å; L306-L309 WeakPolarHBondContact O-CB 3.26Å; L306-L309 PolarHBondContact O-N 3.44Å; L306-G310 PolarHBondContact O-N 3.32Å; L306-M386 HydrophobicContact CD2-CE 3.39Å; L306-M386 HydrophobicContact CD2-CG 4.47Å; L306-M386 HydrophobicContact CD2-SD 3.77Å; L306-M386 HydrophobicContact CG-SD 4.41Å
307	K	62.7	Low	50.8	Low	182 Å²	182	91.1 Å²	91.1	79%	0.791	46%	0.463	S	S	*	.	H	α-helix	trans	-62.8	-27.4	175.7	-168.2	175.3	-178.5	178.5	0	112.7	F303 Y305 L309 G310	F303-K307 WeakPolarHBondContact O-CB 3.38Å; F303-K307 PolarHBondContact O-N 2.92Å; Y305-K307 VanDerWaalsContact C-N 3.25Å; Y305-K307 PolarHBondContact O-N 3.12Å; K307-L309 VanDerWaalsContact C-N 3.29Å; K307-G310 PolarHBondContact O-N 3.28Å
308	K	64.3	Low	49.9	Very low	151 Å²	151	94.1 Å²	94.1	66%	0.657	48%	0.478	S	S	*	.	H	α-helix	trans	-70.4	-26.1	172.6	-65	178.2	178.5	-175.3	0	112.6	Y305 L306 G310	Y305-K308 WeakPolarHBondContact O-CA 3.25Å; Y305-K308 VanDerWaalsContact O-CB 3.26Å; Y305-K308 WeakPolarHBondContact O-CB 3.42Å; Y305-K308 PolarHBondContact O-N 3.28Å; L306-K308 PolarHBondContact O-N 2.96Å; K308-G310 VanDerWaalsContact C-N 3.31Å
309	L	55.4	Low	48.9	Very low	7 Å²	7	99.2 Å²	99.2	4%	0.037	50%	0.498	C	S	.	.	H	α-helix	trans	-70.9	-31	176.1	-60.1	175.2	0	0	0	111.1	L280 Y305 L306 K307 L312 V366 I369 M386	L280-L309 HydrophobicContact CD1-CB 4.24Å; L280-L309 HydrophobicContact CD1-CD1 4.34Å; L280-L309 HydrophobicContact CD2-CD1 4.03Å; Y305-L309 HydrophobicContact CE1-CD1 4.17Å; L306-L309 HydrophobicContact CD2-CD1 4.23Å; L306-L309 VanDerWaalsContact O-CB 3.31Å; L306-L309 WeakPolarHBondContact O-CB 3.26Å; L306-L309 PolarHBondContact O-N 3.44Å; K307-L309 VanDerWaalsContact C-N 3.29Å; L309-L312 WeakPolarHBondContact O-CD1 3.2Å; L309-L312 VanDerWaalsContact O-CG 3.32Å; L309-L312 WeakPolarHBondContact O-CG 3.38Å; L309-V366 HydrophobicContact CD2-CG1 4.09Å; L309-I369 HydrophobicContact CD2-CB 4.19Å; L309-I369 HydrophobicContact CD2-CD1 3.85Å; L309-I369 HydrophobicContact CD2-CG2 3.77Å; L309-M386 HydrophobicContact CD1-CE 3.96Å
310	G	53.4	Low	47.8	Very low	31 Å²	31	107.2 Å²	107.2	32%	0.32	53%	0.531	S	S	.	.			trans	64.8	171.8	171.7	0	0	0	0	0	114.5	L306 K307 K308 L312	L306-G310 PolarHBondContact O-N 3.32Å; K307-G310 PolarHBondContact O-N 3.28Å; K308-G310 VanDerWaalsContact C-N 3.31Å; G310-L312 PolarHBondContact O-N 3.11Å
311	P	47.9	Very low	46.5	Very low	135 Å²	135	107.4 Å²	107.4	88%	0.877	54%	0.535	S	S	*	.			trans	-76	91.3	171.7	29.5	-29.6	0	0	0	108.9	K313	P311-K313 PolarHBondContact O-N 3.39Å; P311-K313 VanDerWaalsContact O-N 3.12Å
312	L	47	Very low	45.1	Very low	52 Å²	52	109.2 Å²	109.2	27%	0.272	55%	0.551	S	S	.	*			trans	-77.8	95.1	176	-65.9	165.1	0	0	0	109	L277 L309 G310 V366	L277-L312 HydrophobicContact CD1-CD1 4.35Å; L277-L312 HydrophobicContact CD2-CB 3.8Å; L277-L312 HydrophobicContact CD2-CD1 4Å; L309-L312 WeakPolarHBondContact O-CD1 3.2Å; L309-L312 VanDerWaalsContact O-CG 3.32Å; L309-L312 WeakPolarHBondContact O-CG 3.38Å; G310-L312 PolarHBondContact O-N 3.11Å; L312-V366 HydrophobicContact CD1-CG2 3.29Å
313	K	39	Very low	43.9	Very low	191 Å²	191	115.9 Å²	115.9	83%	0.83	59%	0.586	S	S	*	*			trans	-140.2	107.3	166.1	-83.7	-175.9	177.2	177.1	0	107.4	P311	P311-K313 PolarHBondContact O-N 3.39Å; P311-K313 VanDerWaalsContact O-N 3.12Å
314	D	41.5	Very low	43	Very low	141 Å²	141	118.8 Å²	118.8	75%	0.754	60%	0.6	S	S	*	*			trans	-152	113.8	146.4	-107.1	-30.6	0	0	0	111.6
315	K	29.7	Very low	42	Very low	202 Å²	202	118 Å²	118	88%	0.878	59%	0.588	S	S	*	*			trans	-84.2	108.6	172.5	-74	179	173.6	-177.1	0	108.2
316	K	30.5	Very low	41.1	Very low	186 Å²	186	122.6 Å²	122.6	81%	0.809	61%	0.61	S	S	*	*			trans	178.7	126	138.9	-108.7	170	177.2	176.9	0	112.3
317	N	30.2	Very low	40.3	Very low	140 Å²	140	125 Å²	125	75%	0.749	63%	0.628	S	S	*	*			trans	42.4	120.2	146.6	-59.8	-9.2	0	0	0	117.8
318	I	32.4	Very low	39.6	Very low	169 Å²	169	120.4 Å²	120.4	87%	0.867	61%	0.61	S	S	*	*				-165.1	136.5	114.8	-90.5	144.9	0	0	0	110.1
319	I	27.8	Very low	39.2	Very low	146 Å²	146	113.8 Å²	113.8	75%	0.749	58%	0.581	S	S	*	*			trans	-79	151.4	179.5	-75.7	163.7	0	0	0	110.3
320	K	28	Very low	39.6	Very low	180 Å²	180	122.6 Å²	122.6	78%	0.783	62%	0.619	S	S	*	*			trans	78.6	94.7	167.6	-80.4	169.4	177.2	-177.1	0	117.3
321	D	30.5	Very low	40.5	Very low	119 Å²	119	122.6 Å²	122.6	64%	0.636	61%	0.614	S	S	*	*				-171.9	103.3	101.3	-90.4	-17	0	0	0	110.3	L323	D321-L323 PolarHBondContact O-N 2.91Å
322	V	29.3	Very low	42	Very low	108 Å²	108	116.4 Å²	116.4	66%	0.655	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	111.7	172.5	174.8	0	0	0	0	106.9
323	L	31.8	Very low	43.9	Very low	142 Å²	142	117.8 Å²	117.8	74%	0.743	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	141.2	-3.2	158.6	-77.6	158.6	0	0	0	115.8	D321	D321-L323 PolarHBondContact O-N 2.91Å
324	Q	42.1	Very low	46.1	Very low	120 Å²	120	109.5 Å²	109.5	56%	0.561	55%	0.545	S	S	*	.			trans	-96.4	-12.6	-174.2	-126.1	176.8	22	0	0	116.8	H326 S327	Q324-H326 PolarHBondContact O-N 2.76Å; Q324-S327 PolarHBondContact O-N 3.06Å; Q324-S327 VanDerWaalsContact O-N 3.12Å; Q324-S327 PolarHBondContact O-OG 3.32Å
325	L	39.8	Very low	48.2	Very low	42 Å²	42	108.4 Å²	108.4	22%	0.22	54%	0.539	C	S	.	.	H	α-helix	trans	-70.4	-26.6	-177.6	-105.8	138.6	0	0	0	114.1	S327 Q328 I329 V357 Q360	L325-S327 PolarHBondContact O-N 2.99Å; L325-Q328 PolarHBondContact O-N 3.02Å; L325-I329 HydrophobicContact CD2-CD1 3.46Å; L325-I329 VanDerWaalsContact CD2-CD1 3.46Å; L325-I329 HydrophobicContact CD2-CG1 3.96Å; L325-V357 HydrophobicContact CD1-CB 4.18Å; L325-V357 HydrophobicContact CD1-CG1 3.98Å; L325-V357 HydrophobicContact CD1-CG2 4.15Å; L325-Q360 HydrophobicContact CD1-CG 4.24Å
326	H	43.4	Very low	51	Low	109 Å²	109	101.8 Å²	101.8	51%	0.505	52%	0.515	S	S	.	.	H	α-helix	trans	-54.7	-25.1	169.5	-63.5	100.1	0	0	0	113	Q324	Q324-H326 PolarHBondContact O-N 2.76Å
327	S	39.1	Very low	53.9	Low	71 Å²	71	93 Å²	93	50%	0.497	48%	0.477	S	S	.	.	H	α-helix	trans	-97.5	-15.4	-177.8	74.2	0	0	0	0	114.8	Q324 L325	Q324-S327 PolarHBondContact O-N 3.06Å; Q324-S327 VanDerWaalsContact O-N 3.12Å; Q324-S327 PolarHBondContact O-OG 3.32Å; L325-S327 PolarHBondContact O-N 2.99Å
328	Q	48	Very low	56.8	Low	87 Å²	87	86.8 Å²	86.8	41%	0.407	44%	0.443	S	S	.	.	H	α-helix	trans	-105.3	-26.2	-165.3	-67.9	-176.7	-0.7	0	0	114.6	L325 K330	L325-Q328 PolarHBondContact O-N 3.02Å; Q328-K330 PolarHBondContact O-N 3.01Å
329	I	57	Low	59.6	Low	11 Å²	11	83.2 Å²	83.2	6%	0.056	42%	0.423	C	S	.	.			trans	-95.8	72	174.4	-50.5	169.9	0	0	0	108.9	L325 S331 I332 W334 C367	L325-I329 HydrophobicContact CD2-CD1 3.46Å; L325-I329 VanDerWaalsContact CD2-CD1 3.46Å; L325-I329 HydrophobicContact CD2-CG1 3.96Å; I329-S331 PolarHBondContact O-N 3.18Å; I329-I332 HydrophobicContact CG2-CB 4.1Å; I329-I332 HydrophobicContact CG2-CG1 3.96Å; I329-I332 PolarHBondContact O-N 3.4Å; I329-W334 HydrophobicContact CD1-CZ2 3.65Å; I329-C367 HydrophobicContact CD1-CB 4.4Å; I329-C367 WeakPolarHBondContact CD1-SG 3.1Å; I329-C367 HydrophobicContact CG1-CB 3.98Å; I329-C367 WeakPolarHBondContact CG1-SG 3.45Å; I329-C367 HydrophobicContact CG2-CB 4.22Å
330	K	63.1	Low	62.6	Low	193 Å²	193	76.9 Å²	76.9	84%	0.839	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-20.6	-177.1	-70.7	-174	178	-179.4	0	114.1	Q328	Q328-K330 PolarHBondContact O-N 3.01Å
331	S	71.9	Confident	65.7	Low	30 Å²	30	68.3 Å²	68.3	21%	0.21	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-18.9	-178.2	-52.5	0	0	0	0	114	L244 I329	L244-S331 WeakPolarHBondContact CB-O 3.48Å; I329-S331 PolarHBondContact O-N 3.18Å
332	I	81	Confident	68.5	Low	6 Å²	6	62.8 Å²	62.8	3%	0.031	33%	0.325	C	S	.	.	S	Bend	trans	-112.9	118.5	177.9	-59.7	-65.7	0	0	0	109	L244 F248 L260 I329 W334 L337	L244-I332 HydrophobicContact CB-CD1 3.94Å; L244-I332 HydrophobicContact CD2-CD1 3.68Å; L244-I332 HydrophobicContact CD2-CG1 4.33Å; L244-I332 HydrophobicContact CG-CD1 3.62Å; F248-I332 HydrophobicContact CD2-CD1 3.88Å; F248-I332 HydrophobicContact CE2-CD1 4.19Å; L260-I332 HydrophobicContact CD2-CD1 4.33Å; L260-I332 HydrophobicContact CD2-CG1 4.01Å; I329-I332 HydrophobicContact CG2-CB 4.1Å; I329-I332 HydrophobicContact CG2-CG1 3.96Å; I329-I332 PolarHBondContact O-N 3.4Å; I332-W334 HydrophobicContact CB-CZ2 4.38Å; I332-W334 HydrophobicContact CG2-CD2 3.87Å; I332-W334 HydrophobicContact CG2-CE3 4.24Å; I332-W334 HydrophobicContact CG2-CG 4.19Å; I332-W334 HydrophobicContact CG2-CZ2 4.17Å; I332-W334 PolarHBondContact O-N 2.57Å; I332-W334 VanDerWaalsContact O-N 3.16Å; I332-L337 HydrophobicContact CG2-CD1 4.22Å
333	D	86.6	Confident	71.4	Confident	80 Å²	80	64.4 Å²	64.4	43%	0.428	32%	0.319	S	S	.	.			trans	-76.7	94.4	164	-168.3	-31.2	0	0	0	109.5	T245 N335 V336 L337	T245-D333 PolarHBondContact OG1-N 2.99Å; D333-N335 VanDerWaalsContact C-N 3.32Å; D333-N335 PolarHBondContact OD1-N 3.12Å; D333-V336 HydrophobicContact CB-CB 4.06Å; D333-V336 HydrophobicContact CB-CG2 4.22Å; D333-V336 WeakPolarHBondContact OD1-CG2 3.32Å; D333-V336 PolarHBondContact OD1-N 3.27Å; D333-V336 VanDerWaalsContact OD2-CG2 3.22Å; D333-V336 WeakPolarHBondContact OD2-CG2 3.49Å; D333-L337 WeakPolarHBondContact O-CB 2.91Å; D333-L337 PolarHBondContact O-N 3.45Å
334	W	85.1	Confident	74.1	Confident	18 Å²	18	59.9 Å²	59.9	7%	0.068	29%	0.294	C	S	.	.	H	α-helix	trans	-64.7	-34.6	-179.4	-68.1	99.9	0	0	0	112.9	F261 I275 I329 I332 L337 F338	F261-W334 AromaticContact CD1-CH2 3.97Å; F261-W334 HydrophobicContact CD1-CH2 3.97Å; F261-W334 HydrophobicContact CD2-CH2 4.18Å; F261-W334 HydrophobicContact CD2-CZ3 4.33Å; F261-W334 AromaticContact CE1-CH2 3.94Å; F261-W334 HydrophobicContact CE1-CH2 3.94Å; F261-W334 HydrophobicContact CE1-CZ3 4.31Å; F261-W334 HydrophobicContact CE2-CH2 4.15Å; F261-W334 AromaticContact CE2-CZ3 3.95Å; F261-W334 HydrophobicContact CE2-CZ3 3.95Å; F261-W334 HydrophobicContact CG-CH2 4.1Å; F261-W334 HydrophobicContact CZ-CH2 4.02Å; F261-W334 AromaticContact CZ-CZ3 3.94Å; F261-W334 HydrophobicContact CZ-CZ3 3.94Å; I275-W334 HydrophobicContact CD1-CE3 4.26Å; I275-W334 HydrophobicContact CD1-CH2 4.02Å; I275-W334 HydrophobicContact CD1-CZ3 3.68Å; I275-W334 HydrophobicContact CG2-CH2 4.46Å; I329-W334 HydrophobicContact CD1-CZ2 3.65Å; I332-W334 HydrophobicContact CB-CZ2 4.38Å; I332-W334 HydrophobicContact CG2-CD2 3.87Å; I332-W334 HydrophobicContact CG2-CE3 4.24Å; I332-W334 HydrophobicContact CG2-CG 4.19Å; I332-W334 HydrophobicContact CG2-CZ2 4.17Å; I332-W334 PolarHBondContact O-N 2.57Å; I332-W334 VanDerWaalsContact O-N 3.16Å; W334-L337 HydrophobicContact CE3-CD2 4.41Å; W334-L337 PolarHBondContact O-N 2.95Å; W334-F338 HydrophobicContact CB-CD2 4.38Å; W334-F338 HydrophobicContact CB-CE2 4.06Å; W334-F338 HydrophobicContact CE3-CE1 4.34Å; W334-F338 HydrophobicContact CE3-CE2 4.15Å; W334-F338 AromaticContact CE3-CZ 3.77Å; W334-F338 HydrophobicContact CE3-CZ 3.77Å; W334-F338 HydrophobicContact CZ3-CZ 4.36Å; W334-F338 WeakPolarHBondContact O-CD2 2.97Å; W334-F338 WeakPolarHBondContact O-CG 3.22Å; W334-F338 PolarHBondContact O-N 2.97Å
335	N	85.4	Confident	76.2	Confident	117 Å²	117	54.7 Å²	54.7	63%	0.626	27%	0.27	S	S	*	.	H	α-helix	trans	-65.8	-49.3	179.3	-72.6	-26.2	0	0	0	110.1	D333 L337 F338 E339	D333-N335 VanDerWaalsContact C-N 3.32Å; D333-N335 PolarHBondContact OD1-N 3.12Å; N335-L337 VanDerWaalsContact C-N 3.27Å; N335-L337 PolarHBondContact O-N 3.4Å; N335-F338 PolarHBondContact O-N 3.23Å; N335-E339 WeakPolarHBondContact O-CB 3.32Å; N335-E339 PolarHBondContact O-N 3.03Å
336	V	89.2	Confident	78.3	Confident	64 Å²	64	61.9 Å²	61.9	39%	0.388	30%	0.3	S	S	.	.	H	α-helix	trans	-62	-37.9	176	172.3	0	0	0	0	111.1	T245 D333 S340	T245-V336 HydrophobicContact CG2-CG1 4.24Å; D333-V336 HydrophobicContact CB-CB 4.06Å; D333-V336 HydrophobicContact CB-CG2 4.22Å; D333-V336 WeakPolarHBondContact OD1-CG2 3.32Å; D333-V336 PolarHBondContact OD1-N 3.27Å; D333-V336 VanDerWaalsContact OD2-CG2 3.22Å; D333-V336 WeakPolarHBondContact OD2-CG2 3.49Å; V336-S340 VanDerWaalsContact O-CB 3.23Å; V336-S340 WeakPolarHBondContact O-CB 3.22Å; V336-S340 PolarHBondContact O-N 3.07Å; V336-S340 PolarHBondContact O-OG 3.29Å
337	L	90.6	Very high	80.2	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-63.9	-54.1	178.1	-173	136.3	0	0	0	111.9	T245 L252 F261 L263 I332 D333 W334 N335 S340 I341	T245-L337 HydrophobicContact CG2-CB 4.01Å; T245-L337 HydrophobicContact CG2-CD1 4.35Å; L252-L337 HydrophobicContact CD2-CD1 3.89Å; L252-L337 HydrophobicContact CD2-CD2 3.78Å; L252-L337 HydrophobicContact CD2-CG 4Å; F261-L337 HydrophobicContact CZ-CD1 3.79Å; L263-L337 HydrophobicContact CD1-CD2 4.31Å; I332-L337 HydrophobicContact CG2-CD1 4.22Å; D333-L337 WeakPolarHBondContact O-CB 2.91Å; D333-L337 PolarHBondContact O-N 3.45Å; W334-L337 HydrophobicContact CE3-CD2 4.41Å; W334-L337 PolarHBondContact O-N 2.95Å; N335-L337 VanDerWaalsContact C-N 3.27Å; N335-L337 PolarHBondContact O-N 3.4Å; L337-S340 PolarHBondContact O-N 3.31Å; L337-I341 HydrophobicContact CD2-CD1 3.85Å; L337-I341 HydrophobicContact CG-CD1 4.44Å; L337-I341 WeakPolarHBondContact O-CG1 3.26Å; L337-I341 PolarHBondContact O-N 2.92Å; L337-I341 VanDerWaalsContact O-N 3.14Å
338	F	90.7	Very high	82.3	Confident	10 Å²	10	64.8 Å²	64.8	4%	0.044	30%	0.303	C	S	.	.	H	α-helix	trans	-64.8	-44.3	179.3	-64.6	-45.4	0	0	0	111.5	L263 I273 I275 W334 N335 S340 I341 F342 Y350 I355	L263-F338 HydrophobicContact CD1-CD1 4.14Å; L263-F338 HydrophobicContact CD1-CE1 3.67Å; I273-F338 HydrophobicContact CD1-CD1 4.47Å; I273-F338 HydrophobicContact CD1-CE1 4.41Å; I273-F338 HydrophobicContact CG2-CE1 3.99Å; I273-F338 HydrophobicContact CG2-CZ 4.41Å; I275-F338 HydrophobicContact CD1-CZ 4.21Å; W334-F338 HydrophobicContact CB-CD2 4.38Å; W334-F338 HydrophobicContact CB-CE2 4.06Å; W334-F338 HydrophobicContact CE3-CE1 4.34Å; W334-F338 HydrophobicContact CE3-CE2 4.15Å; W334-F338 AromaticContact CE3-CZ 3.77Å; W334-F338 HydrophobicContact CE3-CZ 3.77Å; W334-F338 HydrophobicContact CZ3-CZ 4.36Å; W334-F338 WeakPolarHBondContact O-CD2 2.97Å; W334-F338 WeakPolarHBondContact O-CG 3.22Å; W334-F338 PolarHBondContact O-N 2.97Å; N335-F338 PolarHBondContact O-N 3.23Å; F338-S340 PolarHBondContact O-N 3.16Å; F338-I341 PolarHBondContact O-N 2.84Å; F338-I341 VanDerWaalsContact O-N 3.12Å; F338-F342 HydrophobicContact CB-CD2 4.2Å; F338-F342 HydrophobicContact CB-CE2 4.48Å; F338-F342 HydrophobicContact CD1-CE2 4.47Å; F338-F342 WeakPolarHBondContact O-CB 3.13Å; F338-F342 VanDerWaalsContact O-CD2 3.28Å; F338-F342 WeakPolarHBondContact O-CD2 3.33Å; F338-F342 PolarHBondContact O-N 3.16Å; F338-Y350 HydrophobicContact CB-CD2 4.12Å; F338-Y350 HydrophobicContact CB-CE2 3.7Å; F338-I355 HydrophobicContact CE2-CD1 3.71Å; F338-I355 HydrophobicContact CZ-CD1 4.01Å
339	E	91.1	Very high	83.9	Confident	95 Å²	95	64.1 Å²	64.1	44%	0.444	31%	0.308	S	S	.	.	H	α-helix	trans	-57.3	-40.7	175.5	-171.8	-177.4	154.1	0	0	111.3	N335 I341 R343 Y350	N335-E339 WeakPolarHBondContact O-CB 3.32Å; N335-E339 PolarHBondContact O-N 3.03Å; E339-I341 PolarHBondContact O-N 3.47Å; E339-R343 WeakPolarHBondContact O-CB 3.25Å; E339-R343 PolarHBondContact O-N 3.28Å; E339-Y350 WeakPolarHBondContact CA-OH 3.29Å
340	S	91.6	Very high	85.2	Confident	13 Å²	13	64.9 Å²	64.9	9%	0.091	31%	0.311	C	S	.	.	H	α-helix	trans	-65.1	-37	177.8	-62.8	0	0	0	0	113.1	V336 L337 F338 E344	V336-S340 VanDerWaalsContact O-CB 3.23Å; V336-S340 WeakPolarHBondContact O-CB 3.22Å; V336-S340 PolarHBondContact O-N 3.07Å; V336-S340 PolarHBondContact O-OG 3.29Å; L337-S340 PolarHBondContact O-N 3.31Å; F338-S340 PolarHBondContact O-N 3.16Å; S340-E344 WeakPolarHBondContact O-CG 3.29Å
341	I	91.7	Very high	86.2	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-74.8	-51.1	177.9	-62.2	168.5	0	0	0	110.8	L249 L252 L253 L263 L337 F338 E339 R343 E344 F526 L527 I530	L249-I341 HydrophobicContact CD1-CG1 4.4Å; L252-I341 HydrophobicContact CD2-CD1 3.55Å; L252-I341 HydrophobicContact CG-CD1 4.28Å; L253-I341 HydrophobicContact CD2-CG1 4.44Å; L263-I341 HydrophobicContact CD1-CD1 4.09Å; L337-I341 HydrophobicContact CD2-CD1 3.85Å; L337-I341 HydrophobicContact CG-CD1 4.44Å; L337-I341 WeakPolarHBondContact O-CG1 3.26Å; L337-I341 PolarHBondContact O-N 2.92Å; L337-I341 VanDerWaalsContact O-N 3.14Å; F338-I341 PolarHBondContact O-N 2.84Å; F338-I341 VanDerWaalsContact O-N 3.12Å; E339-I341 PolarHBondContact O-N 3.47Å; I341-R343 VanDerWaalsContact C-N 3.32Å; I341-R343 PolarHBondContact O-N 2.72Å; I341-E344 WeakPolarHBondContact O-CB 3.22Å; I341-E344 PolarHBondContact O-N 3Å; I341-F526 HydrophobicContact CG2-CE1 4.34Å; I341-L527 HydrophobicContact CG2-CD2 4.42Å; I341-I530 HydrophobicContact CG2-CD1 3.74Å
342	F	90.7	Very high	86.7	Confident	3 Å²	3	69 Å²	69	1%	0.013	33%	0.332	C	S	.	.	H	α-helix	trans	-74.7	-21.8	-174	-75.6	-76.5	0	0	0	113.3	L265 I273 F338 E344 L345 K346 Y347 Y350 M353 I530 L534	L265-F342 HydrophobicContact CD1-CZ 4.5Å; I273-F342 HydrophobicContact CD1-CE2 3.73Å; I273-F342 HydrophobicContact CD1-CZ 3.85Å; I273-F342 HydrophobicContact CG1-CZ 4.22Å; F338-F342 HydrophobicContact CB-CD2 4.2Å; F338-F342 HydrophobicContact CB-CE2 4.48Å; F338-F342 HydrophobicContact CD1-CE2 4.47Å; F338-F342 WeakPolarHBondContact O-CB 3.13Å; F338-F342 VanDerWaalsContact O-CD2 3.28Å; F338-F342 WeakPolarHBondContact O-CD2 3.33Å; F338-F342 PolarHBondContact O-N 3.16Å; F342-E344 VanDerWaalsContact C-N 3.32Å; F342-L345 HydrophobicContact CD1-CD1 3.91Å; F342-L345 HydrophobicContact CE1-CD1 4.24Å; F342-L345 CarbonylContact O-C 3.49Å; F342-L345 PolarHBondContact O-N 3Å; F342-K346 PolarHBondContact O-N 3.31Å; F342-K346 VanDerWaalsContact O-N 3.08Å; F342-Y347 HydrophobicContact CD1-CD1 4.03Å; F342-Y347 HydrophobicContact CE1-CD1 4.35Å; F342-Y347 PolarHBondContact O-N 3.36Å; F342-Y347 VanDerWaalsContact O-N 3.1Å; F342-Y350 HydrophobicContact CB-CD1 3.48Å; F342-Y350 VanDerWaalsContact CB-CD1 3.48Å; F342-Y350 HydrophobicContact CB-CD2 4.33Å; F342-Y350 HydrophobicContact CB-CE1 3.7Å; F342-Y350 HydrophobicContact CB-CG 3.81Å; F342-Y350 HydrophobicContact CD1-CD1 4.22Å; F342-Y350 AromaticContact CD1-CG 3.94Å; F342-Y350 HydrophobicContact CD1-CG 3.94Å; F342-Y350 HydrophobicContact CD2-CD1 4.01Å; F342-Y350 AromaticContact CD2-CD2 3.37Å; F342-Y350 HydrophobicContact CD2-CD2 3.37Å; F342-Y350 AromaticContact CD2-CE2 3.97Å; F342-Y350 HydrophobicContact CD2-CE2 3.97Å; F342-Y350 AromaticContact CD2-CG 3.39Å; F342-Y350 HydrophobicContact CD2-CG 3.39Å; F342-Y350 HydrophobicContact CE1-CG 4.36Å; F342-Y350 AromaticContact CE2-CD2 3.78Å; F342-Y350 HydrophobicContact CE2-CD2 3.78Å; F342-Y350 AromaticContact CE2-CG 3.88Å; F342-Y350 HydrophobicContact CE2-CG 3.88Å; F342-Y350 AromaticContact CG-CD1 3.66Å; F342-Y350 HydrophobicContact CG-CD1 3.66Å; F342-Y350 AromaticContact CG-CD2 3.92Å; F342-Y350 HydrophobicContact CG-CD2 3.92Å; F342-Y350 HydrophobicContact CG-CE1 4.28Å; F342-Y350 AromaticContact CG-CG 3.43Å; F342-Y350 HydrophobicContact CG-CG 3.43Å; F342-Y350 VanDerWaalsContact CG-CG 3.43Å; F342-Y350 HydrophobicContact CZ-CG 4.34Å; F342-M353 HydrophobicContact CE1-SD 4.48Å; F342-M353 HydrophobicContact CZ-SD 4.33Å; F342-I530 HydrophobicContact CE1-CG2 4.29Å; F342-L534 HydrophobicContact CE1-CD1 4.47Å
343	R	90.7	Very high	86.9	Confident	142 Å²	142	70 Å²	70	54%	0.536	34%	0.336	S	S	.	.	H	α-helix	trans	-63.1	-37.3	168.6	-177.7	177	65.4	-128	-5	112.1	E339 I341 L345 K346	E339-R343 WeakPolarHBondContact O-CB 3.25Å; E339-R343 PolarHBondContact O-N 3.28Å; I341-R343 VanDerWaalsContact C-N 3.32Å; I341-R343 PolarHBondContact O-N 2.72Å; R343-L345 PolarHBondContact O-N 2.85Å; R343-K346 PolarHBondContact O-N 3.3Å; R343-K346 VanDerWaalsContact O-N 3.12Å
344	E	88	Confident	86.9	Confident	46 Å²	46	71.7 Å²	71.7	22%	0.215	34%	0.342	C	S	.	.	H	α-helix	trans	-63.5	-32.7	174.6	-61.3	-79.4	169.6	0	0	111.4	S340 I341 F342 K346 T506 K523 L527	S340-E344 WeakPolarHBondContact O-CG 3.29Å; I341-E344 WeakPolarHBondContact O-CB 3.22Å; I341-E344 PolarHBondContact O-N 3Å; F342-E344 VanDerWaalsContact C-N 3.32Å; E344-K346 VanDerWaalsContact C-N 3.33Å; E344-T506 PolarHBondContact OE2-OG1 2.87Å; E344-K523 VanDerWaalsContact CD-CE 3.44Å; E344-K523 IonicContact OE1-NZ 2.62Å; E344-K523 PolarHBondContact OE1-NZ 2.91Å; E344-K523 WeakPolarHBondContact OE2-CE 3.33Å; E344-K523 IonicContact OE2-NZ 3.76Å; E344-K523 PolarHBondContact OE2-NZ 2.93Å; E344-L527 HydrophobicContact CB-CD1 3.82Å; E344-L527 HydrophobicContact CB-CD2 4Å; E344-L527 HydrophobicContact CG-CD1 4.5Å
345	L	84.9	Confident	86.9	Confident	12 Å²	12	72.9 Å²	72.9	6%	0.063	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-7.3	176.8	-60.4	174.4	0	0	0	113.5	F342 R343 Y347 F503 L527 I530 L534	F342-L345 HydrophobicContact CD1-CD1 3.91Å; F342-L345 HydrophobicContact CE1-CD1 4.24Å; F342-L345 CarbonylContact O-C 3.49Å; F342-L345 PolarHBondContact O-N 3Å; R343-L345 PolarHBondContact O-N 2.85Å; L345-Y347 PolarHBondContact O-N 2.68Å; L345-F503 HydrophobicContact CD2-CD1 4.27Å; L345-F503 HydrophobicContact CD2-CE1 3.58Å; L345-F503 HydrophobicContact CD2-CE2 3.86Å; L345-F503 HydrophobicContact CD2-CZ 3.35Å; L345-L527 HydrophobicContact CD2-CB 3.85Å; L345-L527 HydrophobicContact CD2-CD2 3.85Å; L345-L527 HydrophobicContact CD2-CG 4.36Å; L345-L527 HydrophobicContact CG-CD2 4.04Å; L345-I530 HydrophobicContact CD1-CB 4.03Å; L345-I530 HydrophobicContact CD1-CG2 3.48Å; L345-I530 VanDerWaalsContact CD1-CG2 3.48Å; L345-L534 HydrophobicContact CD1-CD1 4.35Å
346	K	84.7	Confident	86.9	Confident	193 Å²	193	70.1 Å²	70.1	84%	0.839	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	35.8	-169	-57.6	179.7	-178	174.4	0	112.8	F342 R343 E344	F342-K346 PolarHBondContact O-N 3.31Å; F342-K346 VanDerWaalsContact O-N 3.08Å; R343-K346 PolarHBondContact O-N 3.3Å; R343-K346 VanDerWaalsContact O-N 3.12Å; E344-K346 VanDerWaalsContact C-N 3.33Å
347	Y	84	Confident	86.6	Confident	73 Å²	73	68.4 Å²	68.4	29%	0.286	32%	0.323	S	S	.	.			trans	-112.9	110.2	-174.6	-172.6	-89.9	0	0	0	109.9	F342 L345 Y350 M353 L534	F342-Y347 HydrophobicContact CD1-CD1 4.03Å; F342-Y347 HydrophobicContact CE1-CD1 4.35Å; F342-Y347 PolarHBondContact O-N 3.36Å; F342-Y347 VanDerWaalsContact O-N 3.1Å; L345-Y347 PolarHBondContact O-N 2.68Å; Y347-Y350 WeakPolarHBondContact O-CD1 3.44Å; Y347-M353 HydrophobicContact CD1-CE 4.25Å; Y347-M353 HydrophobicContact CE1-CE 3.28Å; Y347-L534 HydrophobicContact CD1-CD1 4.11Å; Y347-L534 HydrophobicContact CD2-CD1 3.98Å; Y347-L534 HydrophobicContact CE1-CD1 4.36Å; Y347-L534 HydrophobicContact CE1-CD2 4.08Å; Y347-L534 HydrophobicContact CE2-CD1 4.21Å; Y347-L534 HydrophobicContact CE2-CD2 4.34Å; Y347-L534 HydrophobicContact CG-CD1 3.91Å
348	E	81.6	Confident	86.2	Confident	167 Å²	167	72.2 Å²	72.2	78%	0.78	34%	0.341	S	S	*	.			trans	-92.6	-23.1	-174	-64.1	-170.1	170.1	0	0	114.2	Y350	E348-Y350 WeakPolarHBondContact O-CD1 3.42Å; E348-Y350 PolarHBondContact O-N 2.93Å
349	S	82.3	Confident	85.5	Confident	73 Å²	73	75 Å²	75	51%	0.51	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-71.1	-1.3	-174.9	-56.4	0	0	0	0	114.4	K351 N352	S349-K351 PolarHBondContact O-N 3.07Å; S349-N352 PolarHBondContact O-N 3.02Å
350	Y	84.3	Confident	84.9	Confident	28 Å²	28	74.4 Å²	74.4	11%	0.11	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-62.5	-23.7	179.2	74.3	-81.6	0	0	0	113.2	F338 E339 F342 Y347 E348 N352 M353	F338-Y350 HydrophobicContact CB-CD2 4.12Å; F338-Y350 HydrophobicContact CB-CE2 3.7Å; E339-Y350 WeakPolarHBondContact CA-OH 3.29Å; F342-Y350 HydrophobicContact CB-CD1 3.48Å; F342-Y350 VanDerWaalsContact CB-CD1 3.48Å; F342-Y350 HydrophobicContact CB-CD2 4.33Å; F342-Y350 HydrophobicContact CB-CE1 3.7Å; F342-Y350 HydrophobicContact CB-CG 3.81Å; F342-Y350 HydrophobicContact CD1-CD1 4.22Å; F342-Y350 AromaticContact CD1-CG 3.94Å; F342-Y350 HydrophobicContact CD1-CG 3.94Å; F342-Y350 HydrophobicContact CD2-CD1 4.01Å; F342-Y350 AromaticContact CD2-CD2 3.37Å; F342-Y350 HydrophobicContact CD2-CD2 3.37Å; F342-Y350 AromaticContact CD2-CE2 3.97Å; F342-Y350 HydrophobicContact CD2-CE2 3.97Å; F342-Y350 AromaticContact CD2-CG 3.39Å; F342-Y350 HydrophobicContact CD2-CG 3.39Å; F342-Y350 HydrophobicContact CE1-CG 4.36Å; F342-Y350 AromaticContact CE2-CD2 3.78Å; F342-Y350 HydrophobicContact CE2-CD2 3.78Å; F342-Y350 AromaticContact CE2-CG 3.88Å; F342-Y350 HydrophobicContact CE2-CG 3.88Å; F342-Y350 AromaticContact CG-CD1 3.66Å; F342-Y350 HydrophobicContact CG-CD1 3.66Å; F342-Y350 AromaticContact CG-CD2 3.92Å; F342-Y350 HydrophobicContact CG-CD2 3.92Å; F342-Y350 HydrophobicContact CG-CE1 4.28Å; F342-Y350 AromaticContact CG-CG 3.43Å; F342-Y350 HydrophobicContact CG-CG 3.43Å; F342-Y350 VanDerWaalsContact CG-CG 3.43Å; F342-Y350 HydrophobicContact CZ-CG 4.34Å; Y347-Y350 WeakPolarHBondContact O-CD1 3.44Å; E348-Y350 WeakPolarHBondContact O-CD1 3.42Å; E348-Y350 PolarHBondContact O-N 2.93Å; Y350-N352 PolarHBondContact O-N 3.21Å; Y350-N352 VanDerWaalsContact O-N 3.1Å; Y350-M353 WeakPolarHBondContact O-CB 3.36Å; Y350-M353 PolarHBondContact O-N 3.44Å
351	K	83.9	Confident	84.1	Confident	159 Å²	159	79.4 Å²	79.4	69%	0.691	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-60.8	-20.9	179.9	-66.3	179.3	178.9	173.3	0	113.4	S349	S349-K351 PolarHBondContact O-N 3.07Å
352	N	83	Confident	83.3	Confident	151 Å²	151	79.9 Å²	79.9	81%	0.807	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-100.7	-0.2	179	-60.2	-24.5	0	0	0	113	S349 Y350	S349-N352 PolarHBondContact O-N 3.02Å; Y350-N352 PolarHBondContact O-N 3.21Å; Y350-N352 VanDerWaalsContact O-N 3.1Å
353	M	84.9	Confident	82.7	Confident	25 Å²	25	79.8 Å²	79.8	12%	0.123	38%	0.382	C	S	.	.	S	Bend	trans	-71.7	144.7	-180	-72.9	174.2	-179.7	0	0	111.3	L265 P271 I273 F342 Y347 Y350 L534	L265-M353 HydrophobicContact CD1-SD 3.92Å; P271-M353 HydrophobicContact CB-CE 4.03Å; I273-M353 HydrophobicContact CD1-CB 4.35Å; I273-M353 HydrophobicContact CD1-SD 4.42Å; I273-M353 HydrophobicContact CG1-CB 4.35Å; I273-M353 HydrophobicContact CG1-SD 4.23Å; F342-M353 HydrophobicContact CE1-SD 4.48Å; F342-M353 HydrophobicContact CZ-SD 4.33Å; Y347-M353 HydrophobicContact CD1-CE 4.25Å; Y347-M353 HydrophobicContact CE1-CE 3.28Å; Y350-M353 WeakPolarHBondContact O-CB 3.36Å; Y350-M353 PolarHBondContact O-N 3.44Å; M353-L534 HydrophobicContact CE-CD2 3.19Å; M353-L534 HydrophobicContact SD-CD2 4.41Å
354	E	85.9	Confident	82.1	Confident	116 Å²	116	79.6 Å²	79.6	54%	0.542	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	137.5	169.5	-173.2	170.9	-169.7	0	0	109.9	S272 I273 I356	S272-E354 CarbonylContact C-O 3.6Å; S272-E354 WeakPolarHBondContact CA-O 3.32Å; I273-E354 PolarHBondContact N-O 3.08Å; E354-I356 HydrophobicContact CG-CG1 4.17Å
355	I	85.9	Confident	81.7	Confident	43 Å²	43	83.2 Å²	83.2	22%	0.221	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	113.4	173.7	-56.9	175	0	0	0	108	I273 I275 F338 V357	I273-I355 HydrophobicContact CB-CG1 4.3Å; I273-I355 HydrophobicContact CD1-CG1 4.45Å; I273-I355 CarbonylContact O-C 3.08Å; I273-I355 VanDerWaalsContact O-CA 3.31Å; I273-I355 WeakPolarHBondContact O-CA 3.5Å; I275-I355 HydrophobicContact CD1-CG2 3.72Å; I275-I355 HydrophobicContact CG1-CG2 4.2Å; F338-I355 HydrophobicContact CE2-CD1 3.71Å; F338-I355 HydrophobicContact CZ-CD1 4.01Å; I355-V357 HydrophobicContact CG2-CG2 4.19Å
356	I	85.5	Confident	81.3	Confident	59 Å²	59	82.8 Å²	82.8	30%	0.303	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	118.1	179.2	-57.2	178.5	0	0	0	108.2	I273 D274 I275 E354	I273-I356 PolarHBondContact O-N 3.2Å; D274-I356 CarbonylContact C-O 3.44Å; D274-I356 WeakPolarHBondContact CA-O 2.99Å; I275-I356 PolarHBondContact N-O 3.25Å; E354-I356 HydrophobicContact CG-CG1 4.17Å
357	V	82.9	Confident	81.1	Confident	28 Å²	28	74 Å²	74	17%	0.17	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	113.5	178.3	-172.5	0	0	0	0	110	I275 L325 I355 Q360 L363	I275-V357 HydrophobicContact CB-CG2 4.33Å; I275-V357 HydrophobicContact CD1-CG2 4.46Å; I275-V357 WeakPolarHBondContact O-CA 3.5Å; L325-V357 HydrophobicContact CD1-CB 4.18Å; L325-V357 HydrophobicContact CD1-CG1 3.98Å; L325-V357 HydrophobicContact CD1-CG2 4.15Å; I355-V357 HydrophobicContact CG2-CG2 4.19Å; V357-Q360 HydrophobicContact CB-CG 4.15Å; V357-Q360 HydrophobicContact CG1-CG 3.94Å; V357-L363 HydrophobicContact CG1-CD2 3.55Å
358	H	81.6	Confident	80.9	Confident	81 Å²	81	74.6 Å²	74.6	38%	0.375	37%	0.365	S	S	.	.	S	Bend	trans	-84.2	144.4	176.7	-60.2	-79.8	0	0	0	110.9	D274 I275 Q360	D274-H358 IonicContact OD2-CD2 3.29Å; D274-H358 IonicContact OD2-CE1 2.61Å; D274-H358 IonicContact OD2-NE2 2.65Å; D274-H358 PolarHBondContact OD2-NE2 3.29Å; I275-H358 PolarHBondContact O-CD2 3.11Å; I275-H358 PolarHBondContact O-N 2.88Å; H358-Q360 PolarHBondContact O-N 3.37Å
359	D	75.8	Confident	80.8	Confident	68 Å²	68	68.6 Å²	68.6	36%	0.364	34%	0.338	S	S	.	.	S	Bend	trans	49.6	53.3	174.8	-162.5	13	0	0	0	114.1	D361 S362 L363	D359-D361 VanDerWaalsContact C-N 3.27Å; D359-D361 PolarHBondContact O-N 3.12Å; D359-S362 VanDerWaalsContact CG-CB 3.45Å; D359-S362 PolarHBondContact O-N 2.84Å; D359-S362 PolarHBondContact OD1-OG 2.8Å; D359-S362 VanDerWaalsContact OD1-OG 3.09Å; D359-S362 WeakPolarHBondContact OD2-CB 3Å; D359-S362 PolarHBondContact OD2-OG 3.1Å; D359-L363 PolarHBondContact O-N 3.27Å
360	Q	78.1	Confident	80.8	Confident	83 Å²	83	65.1 Å²	65.1	39%	0.388	31%	0.314	S	S	.	.	H	α-helix	trans	-54.9	-38.1	-172	-64.8	-175.3	-5.5	0	0	113.7	L325 V357 H358 L363 R364	L325-Q360 HydrophobicContact CD1-CG 4.24Å; V357-Q360 HydrophobicContact CB-CG 4.15Å; V357-Q360 HydrophobicContact CG1-CG 3.94Å; H358-Q360 PolarHBondContact O-N 3.37Å; Q360-L363 PolarHBondContact O-N 2.99Å; Q360-R364 VanDerWaalsContact O-CB 3.29Å; Q360-R364 WeakPolarHBondContact O-CB 3.29Å; Q360-R364 PolarHBondContact O-N 3.45Å
361	D	75.5	Confident	80.7	Confident	117 Å²	117	65.3 Å²	65.3	63%	0.626	32%	0.321	S	S	*	.	H	α-helix	trans	-65.6	-44.9	-179.7	-76.3	-28.1	0	0	0	112.1	D359 R364 K365	D359-D361 VanDerWaalsContact C-N 3.27Å; D359-D361 PolarHBondContact O-N 3.12Å; D361-R364 PolarHBondContact O-N 2.74Å; D361-K365 WeakPolarHBondContact O-CG 3.25Å; D361-K365 PolarHBondContact O-N 3.02Å; D361-K365 VanDerWaalsContact O-N 3.14Å
362	S	76	Confident	80.6	Confident	10 Å²	10	61.8 Å²	61.8	7%	0.07	31%	0.313	C	S	.	.	H	α-helix	trans	-64.8	-45.4	175.2	-62.7	0	0	0	0	110.7	D359 R364 K365 V366	D359-S362 VanDerWaalsContact CG-CB 3.45Å; D359-S362 PolarHBondContact O-N 2.84Å; D359-S362 PolarHBondContact OD1-OG 2.8Å; D359-S362 VanDerWaalsContact OD1-OG 3.09Å; D359-S362 WeakPolarHBondContact OD2-CB 3Å; D359-S362 PolarHBondContact OD2-OG 3.1Å; S362-R364 VanDerWaalsContact C-N 3.31Å; S362-R364 PolarHBondContact O-N 2.77Å; S362-K365 PolarHBondContact O-N 3.2Å; S362-V366 WeakPolarHBondContact O-CG2 3.02Å; S362-V366 PolarHBondContact O-N 2.84Å; S362-V366 VanDerWaalsContact O-N 3.09Å
363	L	77.6	Confident	80.5	Confident	2 Å²	2	55 Å²	55	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-59.9	-43.4	178.8	-172.4	65.7	0	0	0	111.2	F261 I275 V357 D359 Q360 K365 V366 C367	F261-L363 HydrophobicContact CB-CD1 3.94Å; I275-L363 HydrophobicContact CG2-CD2 4.02Å; V357-L363 HydrophobicContact CG1-CD2 3.55Å; D359-L363 PolarHBondContact O-N 3.27Å; Q360-L363 PolarHBondContact O-N 2.99Å; L363-K365 PolarHBondContact O-N 3.27Å; L363-V366 PolarHBondContact O-N 3.4Å; L363-C367 WeakPolarHBondContact O-CB 3.45Å; L363-C367 PolarHBondContact O-N 3.39Å; L363-C367 PolarHBondContact O-SG 3.4Å
364	R	77.4	Confident	80.3	Confident	137 Å²	137	55.4 Å²	55.4	52%	0.517	28%	0.28	S	S	.	.	H	α-helix	trans	-59.2	-46.8	176.7	-176.3	176.4	178.4	176.8	3.1	112.1	Q360 D361 S362 V366 C367 D368	Q360-R364 VanDerWaalsContact O-CB 3.29Å; Q360-R364 WeakPolarHBondContact O-CB 3.29Å; Q360-R364 PolarHBondContact O-N 3.45Å; D361-R364 PolarHBondContact O-N 2.74Å; S362-R364 VanDerWaalsContact C-N 3.31Å; S362-R364 PolarHBondContact O-N 2.77Å; R364-V366 VanDerWaalsContact C-N 3.32Å; R364-V366 PolarHBondContact O-N 3.36Å; R364-C367 WeakPolarHBondContact O-CB 2.92Å; R364-C367 PolarHBondContact O-N 3.05Å; R364-C367 VanDerWaalsContact O-N 3.16Å; R364-D368 PolarHBondContact O-N 3.16Å
365	K	79.5	Confident	80.2	Confident	122 Å²	122	56.9 Å²	56.9	53%	0.53	29%	0.286	S	S	.	.	H	α-helix	trans	-58.4	-43.9	176.9	-71.3	169.5	-174.1	167.9	0	111.8	D361 S362 L363 C367 D368 I369	D361-K365 WeakPolarHBondContact O-CG 3.25Å; D361-K365 PolarHBondContact O-N 3.02Å; D361-K365 VanDerWaalsContact O-N 3.14Å; S362-K365 PolarHBondContact O-N 3.2Å; L363-K365 PolarHBondContact O-N 3.27Å; K365-C367 VanDerWaalsContact C-N 3.34Å; K365-D368 PolarHBondContact O-N 3.35Å; K365-I369 VanDerWaalsContact O-CG1 3.31Å; K365-I369 WeakPolarHBondContact O-CG1 3.29Å; K365-I369 PolarHBondContact O-N 2.9Å; K365-I369 VanDerWaalsContact O-N 3.15Å
366	V	77.8	Confident	80	Confident	3 Å²	3	58.2 Å²	58.2	2%	0.018	30%	0.297	C	S	.	.	H	α-helix	trans	-67	-38.2	178.1	-176.5	0	0	0	0	111.1	L260 L277 L309 L312 S362 L363 R364 I369 H370	L260-V366 HydrophobicContact CD1-CB 4Å; L260-V366 HydrophobicContact CD1-CG1 3.42Å; L260-V366 VanDerWaalsContact CD1-CG1 3.42Å; L277-V366 HydrophobicContact CD1-CB 4.47Å; L277-V366 HydrophobicContact CD1-CG2 3.84Å; L309-V366 HydrophobicContact CD2-CG1 4.09Å; L312-V366 HydrophobicContact CD1-CG2 3.29Å; S362-V366 WeakPolarHBondContact O-CG2 3.02Å; S362-V366 PolarHBondContact O-N 2.84Å; S362-V366 VanDerWaalsContact O-N 3.09Å; L363-V366 PolarHBondContact O-N 3.4Å; R364-V366 VanDerWaalsContact C-N 3.32Å; R364-V366 PolarHBondContact O-N 3.36Å; V366-I369 PolarHBondContact O-N 3.32Å; V366-H370 VanDerWaalsContact CG1-CE1 3.41Å; V366-H370 WeakPolarHBondContact CG1-CE1 3.46Å; V366-H370 PolarHBondContact O-N 2.99Å; V366-H370 PolarHBondContact O-ND1 3.17Å
367	C	80.1	Confident	79.7	Confident	8 Å²	8	59.1 Å²	59.1	5%	0.054	30%	0.302	C	S	.	.	H	α-helix	trans	-61.1	-44.6	174.7	-67.4	0	0	0	0	112.3	I329 L363 R364 K365 I369 H370 A371	I329-C367 HydrophobicContact CD1-CB 4.4Å; I329-C367 WeakPolarHBondContact CD1-SG 3.1Å; I329-C367 HydrophobicContact CG1-CB 3.98Å; I329-C367 WeakPolarHBondContact CG1-SG 3.45Å; I329-C367 HydrophobicContact CG2-CB 4.22Å; L363-C367 WeakPolarHBondContact O-CB 3.45Å; L363-C367 PolarHBondContact O-N 3.39Å; L363-C367 PolarHBondContact O-SG 3.4Å; R364-C367 WeakPolarHBondContact O-CB 2.92Å; R364-C367 PolarHBondContact O-N 3.05Å; R364-C367 VanDerWaalsContact O-N 3.16Å; K365-C367 VanDerWaalsContact C-N 3.34Å; C367-I369 VanDerWaalsContact C-N 3.32Å; C367-I369 PolarHBondContact O-N 2.68Å; C367-H370 PolarHBondContact O-N 3.25Å; C367-A371 WeakPolarHBondContact O-CB 3.38Å; C367-A371 PolarHBondContact O-N 2.62Å
368	D	80.3	Confident	79.3	Confident	86 Å²	86	61.9 Å²	61.9	46%	0.46	32%	0.316	S	S	.	.	H	α-helix	trans	-60.5	-42.6	177.2	-69.1	-22.7	0	0	0	111.1	R364 K365 H370 A371 T372	R364-D368 PolarHBondContact O-N 3.16Å; K365-D368 PolarHBondContact O-N 3.35Å; D368-H370 PolarHBondContact O-N 3.05Å; D368-A371 PolarHBondContact O-N 3.48Å; D368-T372 PolarHBondContact O-N 3.37Å; D368-T372 PolarHBondContact O-OG1 3.41Å
369	I	79.4	Confident	79.1	Confident	41 Å²	41	58.3 Å²	58.3	21%	0.21	30%	0.302	C	S	.	.	H	α-helix	trans	-62.6	-42.4	177	-65.6	166.1	0	0	0	111.4	Y305 L309 K365 V366 C367 A373	Y305-I369 HydrophobicContact CD2-CG2 4.44Å; Y305-I369 HydrophobicContact CE2-CG2 3.53Å; L309-I369 HydrophobicContact CD2-CB 4.19Å; L309-I369 HydrophobicContact CD2-CD1 3.85Å; L309-I369 HydrophobicContact CD2-CG2 3.77Å; K365-I369 VanDerWaalsContact O-CG1 3.31Å; K365-I369 WeakPolarHBondContact O-CG1 3.29Å; K365-I369 PolarHBondContact O-N 2.9Å; K365-I369 VanDerWaalsContact O-N 3.15Å; V366-I369 PolarHBondContact O-N 3.32Å; C367-I369 VanDerWaalsContact C-N 3.32Å; C367-I369 PolarHBondContact O-N 2.68Å; I369-A373 WeakPolarHBondContact O-CB 3.48Å; I369-A373 PolarHBondContact O-N 3.39Å
370	H	81.1	Confident	79.3	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-68	-40.1	176.6	-74.7	68.3	0	0	0	111.5	L244 F248 V366 C367 D368 A373 M374 L383	L244-H370 HydrophobicContact CD2-CB 4.36Å; F248-H370 AromaticContact CZ-CD2 3.95Å; V366-H370 VanDerWaalsContact CG1-CE1 3.41Å; V366-H370 WeakPolarHBondContact CG1-CE1 3.46Å; V366-H370 PolarHBondContact O-N 2.99Å; V366-H370 PolarHBondContact O-ND1 3.17Å; C367-H370 PolarHBondContact O-N 3.25Å; D368-H370 PolarHBondContact O-N 3.05Å; H370-A373 WeakPolarHBondContact O-CB 3.43Å; H370-A373 PolarHBondContact O-N 3.12Å; H370-M374 VanDerWaalsContact O-CG 3.27Å; H370-M374 WeakPolarHBondContact O-CG 3.45Å; H370-M374 PolarHBondContact O-N 2.65Å; H370-L383 WeakPolarHBondContact CD2-CD2 3.39Å
371	A	81.9	Confident	79.1	Confident	31 Å²	31	53.1 Å²	53.1	26%	0.256	27%	0.274	S	S	.	.	H	α-helix	trans	-59.6	-47.4	174.9	0	0	0	0	0	111.6	C367 D368 A373 M374 E375	C367-A371 WeakPolarHBondContact O-CB 3.38Å; C367-A371 PolarHBondContact O-N 2.62Å; D368-A371 PolarHBondContact O-N 3.48Å; A371-A373 VanDerWaalsContact C-N 3.3Å; A371-A373 PolarHBondContact O-N 3.11Å; A371-M374 WeakPolarHBondContact O-CB 3.33Å; A371-M374 PolarHBondContact O-N 3.29Å; A371-M374 VanDerWaalsContact O-N 3.16Å; A371-E375 PolarHBondContact O-N 3.4Å
372	T	83.2	Confident	79.1	Confident	86 Å²	86	48.4 Å²	48.4	53%	0.528	25%	0.249	S	C	.	.	H	α-helix	trans	-62.4	-36	174.3	-55.4	0	0	0	0	112.4	D368 M374 E375	D368-T372 PolarHBondContact O-N 3.37Å; D368-T372 PolarHBondContact O-OG1 3.41Å; T372-M374 VanDerWaalsContact C-N 3.32Å; T372-M374 PolarHBondContact O-N 3.47Å; T372-E375 PolarHBondContact O-N 3.34Å
373	A	79.5	Confident	79.3	Confident	7 Å²	7	48 Å²	48	6%	0.058	25%	0.246	C	C	.	.	H	α-helix	trans	-66	-34.8	176.2	0	0	0	0	0	112.5	Y305 I369 H370 A371 E375 T376 G379 R380 L383	Y305-A373 HydrophobicContact CE2-CB 3.76Å; I369-A373 WeakPolarHBondContact O-CB 3.48Å; I369-A373 PolarHBondContact O-N 3.39Å; H370-A373 WeakPolarHBondContact O-CB 3.43Å; H370-A373 PolarHBondContact O-N 3.12Å; A371-A373 VanDerWaalsContact C-N 3.3Å; A371-A373 PolarHBondContact O-N 3.11Å; A373-E375 PolarHBondContact O-N 2.82Å; A373-T376 PolarHBondContact O-N 2.71Å; A373-G379 CarbonylContact O-C 3.19Å; A373-G379 WeakPolarHBondContact O-CA 3.06Å; A373-R380 PolarHBondContact O-N 2.76Å; A373-L383 HydrophobicContact CB-CD1 3.87Å; A373-L383 HydrophobicContact CB-CD2 4.39Å; A373-L383 HydrophobicContact CB-CG 4.01Å
374	M	82.4	Confident	79.5	Confident	35 Å²	35	48 Å²	48	17%	0.172	25%	0.246	C	C	.	.	H	α-helix	trans	-63.2	-30.1	177.7	-71	-74.3	-65.2	0	0	112.9	F242 L244 H370 A371 T372 T376 R380 L383	F242-M374 HydrophobicContact CD1-CE 3.61Å; F242-M374 HydrophobicContact CD1-SD 3.64Å; F242-M374 HydrophobicContact CE1-CE 4.05Å; F242-M374 HydrophobicContact CE1-SD 3.44Å; F242-M374 WeakPolarHBondContact CE1-SD 3.17Å; L244-M374 HydrophobicContact CB-CE 4.38Å; L244-M374 HydrophobicContact CB-SD 4.19Å; L244-M374 HydrophobicContact CD1-SD 4.47Å; H370-M374 VanDerWaalsContact O-CG 3.27Å; H370-M374 WeakPolarHBondContact O-CG 3.45Å; H370-M374 PolarHBondContact O-N 2.65Å; A371-M374 WeakPolarHBondContact O-CB 3.33Å; A371-M374 PolarHBondContact O-N 3.29Å; A371-M374 VanDerWaalsContact O-N 3.16Å; T372-M374 VanDerWaalsContact C-N 3.32Å; T372-M374 PolarHBondContact O-N 3.47Å; M374-T376 PolarHBondContact O-N 3.3Å; M374-R380 WeakPolarHBondContact O-CD 3.4Å; M374-R380 PolarHBondContact O-NE 2.78Å; M374-R380 VanDerWaalsContact O-NE 3.11Å; M374-R380 HydrophobicContact SD-CG 4.22Å; M374-L383 HydrophobicContact CG-CD1 3.92Å; M374-L383 HydrophobicContact SD-CD1 3.78Å
375	E	82.8	Confident	79.5	Confident	146 Å²	146	41.5 Å²	41.5	68%	0.682	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-14.2	-178.8	-64.5	174	176.6	0	0	114	A371 T372 A373	A371-E375 PolarHBondContact O-N 3.4Å; T372-E375 PolarHBondContact O-N 3.34Å; A373-E375 PolarHBondContact O-N 2.82Å
376	T	82.5	Confident	79.4	Confident	71 Å²	71	35.7 Å²	35.7	44%	0.436	20%	0.196	S	C	.	.	S	Bend	trans	-126.4	145.4	-177.1	69	0	0	0	0	112.2	A373 M374 N378 G379 R380	A373-T376 PolarHBondContact O-N 2.71Å; M374-T376 PolarHBondContact O-N 3.3Å; T376-N378 PolarHBondContact O-N 3.27Å; T376-G379 PolarHBondContact O-N 3.24Å; T376-G379 VanDerWaalsContact O-N 3.17Å; T376-G379 PolarHBondContact OG1-N 2.86Å; T376-R380 PolarHBondContact O-N 2.81Å
377	N	79	Confident	79.8	Confident	79 Å²	79	35.6 Å²	35.6	42%	0.422	20%	0.195	S	C	.	.	H	α-helix	trans	-55.4	-38.1	173.3	-78.8	-29.4	0	0	0	112.4	R380 K381	N377-R380 PolarHBondContact OD1-NH2 3.01Å; N377-K381 VanDerWaalsContact O-CD 3.3Å; N377-K381 WeakPolarHBondContact O-CD 3.4Å; N377-K381 WeakPolarHBondContact O-CG 3.43Å; N377-K381 PolarHBondContact O-N 3.23Å; N377-K381 VanDerWaalsContact O-N 3.11Å
378	N	73.9	Confident	80	Confident	85 Å²	85	35.2 Å²	35.2	46%	0.455	19%	0.193	S	C	.	.	H	α-helix	trans	-72.1	-39.3	179	-73.4	-8.1	0	0	0	112.1	T376 K381 N382	T376-N378 PolarHBondContact O-N 3.27Å; N378-K381 PolarHBondContact O-N 3.14Å; N378-N382 VanDerWaalsContact O-CG 3.25Å; N378-N382 PolarHBondContact O-N 2.69Å; N378-N382 PolarHBondContact O-OD1 3.4Å
379	G	76.9	Confident	80	Confident	7 Å²	7	31.6 Å²	31.6	7%	0.072	17%	0.173	C	C	.	.	H	α-helix	trans	-65	-41.7	174.9	0	0	0	0	0	112.1	A373 T376 K381 N382 L383	A373-G379 CarbonylContact O-C 3.19Å; A373-G379 WeakPolarHBondContact O-CA 3.06Å; T376-G379 PolarHBondContact O-N 3.24Å; T376-G379 VanDerWaalsContact O-N 3.17Å; T376-G379 PolarHBondContact OG1-N 2.86Å; G379-K381 VanDerWaalsContact C-N 3.35Å; G379-K381 PolarHBondContact O-N 2.88Å; G379-N382 WeakPolarHBondContact O-CB 3.38Å; G379-N382 PolarHBondContact O-N 3.13Å; G379-N382 VanDerWaalsContact O-N 3.14Å; G379-L383 WeakPolarHBondContact O-CG 3.45Å; G379-L383 PolarHBondContact O-N 3.25Å
380	R	79.7	Confident	80.2	Confident	6 Å²	6	30 Å²	30	2%	0.023	17%	0.166	C	C	.	.	H	α-helix	trans	-59.9	-41.1	172.8	-73.7	-174.3	-90.7	140.3	2.9	112.9	L237 D239 F242 A373 M374 T376 N377 L383 H384	L237-R380 PolarHBondContact O-NH1 3.36Å; D239-R380 VanDerWaalsContact CG-NH2 3.27Å; D239-R380 IonicContact OD1-CZ 3.83Å; D239-R380 IonicContact OD1-NE 3.35Å; D239-R380 PolarHBondContact OD1-NE 2.78Å; D239-R380 IonicContact OD1-NH1 2.88Å; D239-R380 PolarHBondContact OD1-NH1 3.42Å; D239-R380 IonicContact OD1-NH2 2.85Å; D239-R380 PolarHBondContact OD1-NH2 2.6Å; D239-R380 IonicContact OD2-NH2 2.6Å; D239-R380 PolarHBondContact OD2-NH2 3.31Å; F242-R380 HydrophobicContact CD1-CB 4.39Å; F242-R380 HydrophobicContact CD1-CG 3.86Å; F242-R380 HydrophobicContact CE1-CB 4.14Å; F242-R380 HydrophobicContact CE1-CG 3.88Å; F242-R380 HydrophobicContact CE2-CB 4.33Å; F242-R380 HydrophobicContact CG-CG 4.34Å; F242-R380 HydrophobicContact CZ-CB 4.08Å; F242-R380 HydrophobicContact CZ-CG 4.33Å; A373-R380 PolarHBondContact O-N 2.76Å; M374-R380 WeakPolarHBondContact O-CD 3.4Å; M374-R380 PolarHBondContact O-NE 2.78Å; M374-R380 VanDerWaalsContact O-NE 3.11Å; M374-R380 HydrophobicContact SD-CG 4.22Å; T376-R380 PolarHBondContact O-N 2.81Å; N377-R380 PolarHBondContact OD1-NH2 3.01Å; R380-L383 PolarHBondContact O-N 3.08Å; R380-H384 WeakPolarHBondContact O-CB 3.4Å; R380-H384 PolarHBondContact O-N 3.44Å
381	K	75.5	Confident	80.6	Confident	36 Å²	36	30 Å²	30	16%	0.157	17%	0.166	C	C	.	.	H	α-helix	trans	-62.6	-41.4	173.4	-70.2	163	-174.6	-173.8	0	112.3	Y220 L237 N377 N378 G379 A385	Y220-K381 HydrophobicContact CD1-CB 4.01Å; Y220-K381 HydrophobicContact CD1-CD 3.97Å; Y220-K381 HydrophobicContact CD1-CG 3.89Å; Y220-K381 HydrophobicContact CD2-CD 4.15Å; Y220-K381 HydrophobicContact CD2-CG 3.73Å; Y220-K381 HydrophobicContact CE1-CB 4.36Å; Y220-K381 HydrophobicContact CE1-CD 3.48Å; Y220-K381 VanDerWaalsContact CE1-CD 3.48Å; Y220-K381 HydrophobicContact CE1-CG 3.93Å; Y220-K381 HydrophobicContact CE2-CD 3.66Å; Y220-K381 HydrophobicContact CE2-CG 3.74Å; Y220-K381 HydrophobicContact CG-CB 4.14Å; Y220-K381 HydrophobicContact CG-CD 4.31Å; Y220-K381 HydrophobicContact CG-CG 3.82Å; Y220-K381 WeakPolarHBondContact OH-CE 3.28Å; Y220-K381 PolarHBondContact OH-NZ 3.31Å; L237-K381 HydrophobicContact CD2-CD 4.27Å; L237-K381 HydrophobicContact CD2-CG 3.74Å; N377-K381 VanDerWaalsContact O-CD 3.3Å; N377-K381 WeakPolarHBondContact O-CD 3.4Å; N377-K381 WeakPolarHBondContact O-CG 3.43Å; N377-K381 PolarHBondContact O-N 3.23Å; N377-K381 VanDerWaalsContact O-N 3.11Å; N378-K381 PolarHBondContact O-N 3.14Å; G379-K381 VanDerWaalsContact C-N 3.35Å; G379-K381 PolarHBondContact O-N 2.88Å; K381-A385 VanDerWaalsContact O-CB 3.25Å; K381-A385 WeakPolarHBondContact O-CB 3.39Å; K381-A385 PolarHBondContact O-N 2.86Å
382	N	74.3	Confident	80.8	Confident	18 Å²	18	29.6 Å²	29.6	10%	0.096	16%	0.16	C	C	.	.	H	α-helix	trans	-65.4	-46.2	177.4	-70.4	-13.5	0	0	0	111.1	L302 N378 G379 H384 A385 M386	L302-N382 HydrophobicContact CD1-CB 4.31Å; N378-N382 VanDerWaalsContact O-CG 3.25Å; N378-N382 PolarHBondContact O-N 2.69Å; N378-N382 PolarHBondContact O-OD1 3.4Å; G379-N382 WeakPolarHBondContact O-CB 3.38Å; G379-N382 PolarHBondContact O-N 3.13Å; G379-N382 VanDerWaalsContact O-N 3.14Å; N382-H384 PolarHBondContact O-N 2.88Å; N382-A385 PolarHBondContact O-N 3.48Å; N382-M386 WeakPolarHBondContact O-CB 3.41Å; N382-M386 VanDerWaalsContact O-CG 3.28Å; N382-M386 WeakPolarHBondContact O-CG 3.39Å; N382-M386 PolarHBondContact O-N 2.88Å
383	L	79.8	Confident	80.8	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-58.1	-48.8	176.1	-70.7	176.8	0	0	0	111.5	L244 L247 Y305 H370 A373 M374 G379 R380 A385 M386 T387	L244-L383 HydrophobicContact CD1-CD1 4.14Å; L247-L383 HydrophobicContact CD2-CB 4.37Å; Y305-L383 HydrophobicContact CE1-CD2 4.33Å; Y305-L383 WeakPolarHBondContact OH-CD2 3.39Å; H370-L383 WeakPolarHBondContact CD2-CD2 3.39Å; A373-L383 HydrophobicContact CB-CD1 3.87Å; A373-L383 HydrophobicContact CB-CD2 4.39Å; A373-L383 HydrophobicContact CB-CG 4.01Å; M374-L383 HydrophobicContact CG-CD1 3.92Å; M374-L383 HydrophobicContact SD-CD1 3.78Å; G379-L383 WeakPolarHBondContact O-CG 3.45Å; G379-L383 PolarHBondContact O-N 3.25Å; R380-L383 PolarHBondContact O-N 3.08Å; L383-A385 PolarHBondContact O-N 3.28Å; L383-M386 WeakPolarHBondContact O-CB 3.5Å; L383-M386 PolarHBondContact O-N 2.89Å; L383-T387 PolarHBondContact O-N 3.06Å; L383-T387 PolarHBondContact O-OG1 3.34Å
384	H	82.4	Confident	81.2	Confident	4 Å²	4	28.5 Å²	28.5	2%	0.019	15%	0.149	C	C	.	.	H	α-helix	trans	-59	-45.9	177.3	179.3	-97.6	0	0	0	112.6	F216 G218 L236 F242 L247 R380 N382 M386 T387 T388	F216-H384 PolarHBondContact O-NE2 3.3Å; G218-H384 PolarHBondContact O-CE1 3.11Å; G218-H384 PolarHBondContact O-NE2 2.96Å; L236-H384 VanDerWaalsContact CD2-CD2 3.44Å; L236-H384 WeakPolarHBondContact CD2-CD2 2.85Å; L236-H384 VanDerWaalsContact CD2-NE2 3.33Å; L236-H384 WeakPolarHBondContact CD2-NE2 3.34Å; F242-H384 HydrophobicContact CE2-CB 4.34Å; F242-H384 HydrophobicContact CZ-CB 4.44Å; L247-H384 HydrophobicContact CD1-CB 4.49Å; R380-H384 WeakPolarHBondContact O-CB 3.4Å; R380-H384 PolarHBondContact O-N 3.44Å; N382-H384 PolarHBondContact O-N 2.88Å; H384-M386 VanDerWaalsContact C-N 3.34Å; H384-M386 PolarHBondContact O-N 3.45Å; H384-T387 PolarHBondContact O-N 3.3Å; H384-T388 WeakPolarHBondContact O-CB 3.41Å; H384-T388 PolarHBondContact O-N 3.12Å; H384-T388 PolarHBondContact O-OG1 3.3Å
385	A	77.5	Confident	81.3	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.4	-42.6	175.3	0	0	0	0	0	112.3	L221 L302 K381 N382 L383 T388 I389	L221-A385 HydrophobicContact CD1-CB 3.52Å; L221-A385 HydrophobicContact CD2-CB 4.38Å; L221-A385 HydrophobicContact CG-CB 3.67Å; L302-A385 HydrophobicContact CD1-CB 4.33Å; K381-A385 VanDerWaalsContact O-CB 3.25Å; K381-A385 WeakPolarHBondContact O-CB 3.39Å; K381-A385 PolarHBondContact O-N 2.86Å; N382-A385 PolarHBondContact O-N 3.48Å; L383-A385 PolarHBondContact O-N 3.28Å; A385-T388 PolarHBondContact O-N 3.34Å; A385-I389 WeakPolarHBondContact O-CD1 3.33Å; A385-I389 VanDerWaalsContact O-CG1 3.27Å; A385-I389 WeakPolarHBondContact O-CG1 3.45Å; A385-I389 PolarHBondContact O-N 3.22Å
386	M	78.4	Confident	81.1	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-62.1	-49.9	178.1	-76.6	-175.8	56.4	0	0	111.8	T259 L280 F283 L302 Y305 L306 L309 N382 L383 H384 T388 I389 S390	T259-M386 HydrophobicContact CG2-CE 3.87Å; L280-M386 HydrophobicContact CD2-CE 4.32Å; F283-M386 HydrophobicContact CD2-CE 4.49Å; F283-M386 HydrophobicContact CE1-CB 4.14Å; F283-M386 HydrophobicContact CE1-CG 3.81Å; F283-M386 HydrophobicContact CE2-CB 4.37Å; F283-M386 HydrophobicContact CE2-CE 3.87Å; F283-M386 HydrophobicContact CE2-CG 4.47Å; F283-M386 VanDerWaalsContact CZ-CA 3.47Å; F283-M386 HydrophobicContact CZ-CB 3.51Å; F283-M386 HydrophobicContact CZ-CE 3.93Å; F283-M386 HydrophobicContact CZ-CG 3.59Å; F283-M386 WeakPolarHBondContact CZ-O 3.45Å; L302-M386 HydrophobicContact CD1-CG 3.32Å; L302-M386 HydrophobicContact CD1-SD 4.18Å; L302-M386 HydrophobicContact CG-CG 4.35Å; Y305-M386 HydrophobicContact CD1-CE 4.47Å; Y305-M386 HydrophobicContact CD1-SD 3.32Å; Y305-M386 WeakPolarHBondContact CD1-SD 3.39Å; Y305-M386 HydrophobicContact CE1-CE 4.14Å; Y305-M386 HydrophobicContact CE1-SD 3.27Å; Y305-M386 WeakPolarHBondContact CE1-SD 3.01Å; L306-M386 HydrophobicContact CD2-CE 3.39Å; L306-M386 HydrophobicContact CD2-CG 4.47Å; L306-M386 HydrophobicContact CD2-SD 3.77Å; L306-M386 HydrophobicContact CG-SD 4.41Å; L309-M386 HydrophobicContact CD1-CE 3.96Å; N382-M386 WeakPolarHBondContact O-CB 3.41Å; N382-M386 VanDerWaalsContact O-CG 3.28Å; N382-M386 WeakPolarHBondContact O-CG 3.39Å; N382-M386 PolarHBondContact O-N 2.88Å; L383-M386 WeakPolarHBondContact O-CB 3.5Å; L383-M386 PolarHBondContact O-N 2.89Å; H384-M386 VanDerWaalsContact C-N 3.34Å; H384-M386 PolarHBondContact O-N 3.45Å; M386-T388 VanDerWaalsContact C-N 3.26Å; M386-T388 PolarHBondContact O-N 3.48Å; M386-I389 PolarHBondContact O-N 3.18Å; M386-S390 WeakPolarHBondContact O-CB 3.28Å; M386-S390 PolarHBondContact O-N 2.99Å
387	T	85.2	Confident	80.6	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-58.5	-43.2	178.3	-52	0	0	0	0	111.1	F216 L247 F248 L251 L383 H384 S390 F391	F216-T387 HydrophobicContact CD1-CG2 4.13Å; F216-T387 HydrophobicContact CE1-CG2 3.53Å; F216-T387 HydrophobicContact CZ-CG2 4.32Å; L247-T387 HydrophobicContact CD1-CG2 4.37Å; L247-T387 HydrophobicContact CG-CG2 4.08Å; L247-T387 WeakPolarHBondContact O-CG2 3.09Å; F248-T387 HydrophobicContact CD1-CG2 4.02Å; F248-T387 VanDerWaalsContact CE1-OG1 3.28Å; F248-T387 WeakPolarHBondContact CE1-OG1 3.37Å; L251-T387 HydrophobicContact CB-CG2 4.06Å; L251-T387 HydrophobicContact CD2-CG2 3.83Å; L383-T387 PolarHBondContact O-N 3.06Å; L383-T387 PolarHBondContact O-OG1 3.34Å; H384-T387 PolarHBondContact O-N 3.3Å; T387-S390 PolarHBondContact O-N 3.36Å; T387-F391 WeakPolarHBondContact O-CB 3.11Å; T387-F391 PolarHBondContact O-N 3.49Å
388	T	83.5	Confident	80.6	Confident	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-63.7	-43.5	178.7	-51.9	0	0	0	0	111.9	I212 W219 H384 A385 M386 F391 L392	I212-T388 HydrophobicContact CD1-CG2 4.08Å; I212-T388 HydrophobicContact CG1-CG2 4.14Å; I212-T388 HydrophobicContact CG2-CG2 3.73Å; W219-T388 HydrophobicContact CB-CG2 4.38Å; W219-T388 HydrophobicContact CD2-CG2 3.93Å; W219-T388 HydrophobicContact CG-CG2 3.82Å; H384-T388 WeakPolarHBondContact O-CB 3.41Å; H384-T388 PolarHBondContact O-N 3.12Å; H384-T388 PolarHBondContact O-OG1 3.3Å; A385-T388 PolarHBondContact O-N 3.34Å; M386-T388 VanDerWaalsContact C-N 3.26Å; M386-T388 PolarHBondContact O-N 3.48Å; T388-F391 PolarHBondContact O-N 3.48Å; T388-L392 WeakPolarHBondContact O-CG 3.41Å; T388-L392 PolarHBondContact O-N 3.38Å
389	I	80.2	Confident	80.7	Confident	10 Å²	10	14.6 Å²	14.6	5%	0.051	7%	0.074	C	C	.	.	H	α-helix	trans	-64	-44.2	177.5	-71.3	161.5	0	0	0	110.9	W219 L221 F283 V286 M290 L302 A385 M386 F391 L392 F393	W219-I389 HydrophobicContact CZ2-CG1 4.26Å; L221-I389 HydrophobicContact CD1-CD1 4.11Å; F283-I389 HydrophobicContact CD1-CG2 4.32Å; F283-I389 HydrophobicContact CE1-CB 4.07Å; F283-I389 HydrophobicContact CE1-CD1 4.14Å; F283-I389 HydrophobicContact CE1-CG2 3.87Å; F283-I389 HydrophobicContact CZ-CB 4.32Å; F283-I389 HydrophobicContact CZ-CG2 4.3Å; V286-I389 HydrophobicContact CG2-CG2 4.49Å; M290-I389 HydrophobicContact CE-CD1 3.73Å; M290-I389 HydrophobicContact CE-CG1 4.48Å; L302-I389 HydrophobicContact CD2-CD1 3.5Å; A385-I389 WeakPolarHBondContact O-CD1 3.33Å; A385-I389 VanDerWaalsContact O-CG1 3.27Å; A385-I389 WeakPolarHBondContact O-CG1 3.45Å; A385-I389 PolarHBondContact O-N 3.22Å; M386-I389 PolarHBondContact O-N 3.18Å; I389-F391 VanDerWaalsContact C-N 3.32Å; I389-F391 PolarHBondContact O-N 2.93Å; I389-L392 PolarHBondContact O-N 3.41Å; I389-F393 WeakPolarHBondContact O-CB 3.48Å; I389-F393 PolarHBondContact O-N 2.92Å
390	S	84.8	Confident	80.4	Confident	9 Å²	9	15.9 Å²	15.9	6%	0.063	8%	0.08	C	C	.	.	H	α-helix	trans	-61.5	-42.1	177.5	-169.4	0	0	0	0	111.5	M386 T387 L392 F393 N394	M386-S390 WeakPolarHBondContact O-CB 3.28Å; M386-S390 PolarHBondContact O-N 2.99Å; T387-S390 PolarHBondContact O-N 3.36Å; S390-L392 PolarHBondContact O-N 3.38Å; S390-F393 PolarHBondContact O-N 2.85Å; S390-N394 PolarHBondContact O-N 2.88Å
391	F	90.2	Very high	79.9	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-60.1	-47	175.4	177.7	-94.4	0	0	0	112.9	L211 L215 F216 L251 Q254 T387 T388 I389 F393 N394 M395 Y519	L211-F391 HydrophobicContact CD2-CE1 3.76Å; L211-F391 HydrophobicContact CD2-CZ 3.98Å; L211-F391 HydrophobicContact CG-CE1 4.15Å; L211-F391 HydrophobicContact CG-CZ 4.32Å; L215-F391 HydrophobicContact CD1-CE1 4.01Å; L215-F391 HydrophobicContact CD1-CE2 3.62Å; L215-F391 HydrophobicContact CD1-CZ 3.27Å; F216-F391 HydrophobicContact CE2-CB 3.75Å; F216-F391 AromaticContact CE2-CD1 3.61Å; F216-F391 HydrophobicContact CE2-CD1 3.61Å; F216-F391 AromaticContact CE2-CD2 3.76Å; F216-F391 HydrophobicContact CE2-CD2 3.76Å; F216-F391 HydrophobicContact CE2-CE1 4.13Å; F216-F391 HydrophobicContact CE2-CE2 4.26Å; F216-F391 AromaticContact CE2-CG 3.41Å; F216-F391 HydrophobicContact CE2-CG 3.41Å; F216-F391 VanDerWaalsContact CE2-CG 3.41Å; F216-F391 HydrophobicContact CE2-CZ 4.44Å; F216-F391 HydrophobicContact CZ-CB 3.62Å; F216-F391 HydrophobicContact CZ-CD1 4.25Å; F216-F391 AromaticContact CZ-CD2 3.61Å; F216-F391 HydrophobicContact CZ-CD2 3.61Å; F216-F391 HydrophobicContact CZ-CE2 4.34Å; F216-F391 AromaticContact CZ-CG 3.56Å; F216-F391 HydrophobicContact CZ-CG 3.56Å; L251-F391 HydrophobicContact CD1-CB 4.09Å; Q254-F391 HydrophobicContact CB-CE2 4.48Å; Q254-F391 VanDerWaalsContact CD-CD2 3.44Å; Q254-F391 HydrophobicContact CG-CD2 4.45Å; Q254-F391 HydrophobicContact CG-CE2 4.27Å; Q254-F391 PolarHBondContact NE2-O 2.84Å; Q254-F391 VanDerWaalsContact NE2-O 3.13Å; T387-F391 WeakPolarHBondContact O-CB 3.11Å; T387-F391 PolarHBondContact O-N 3.49Å; T388-F391 PolarHBondContact O-N 3.48Å; I389-F391 VanDerWaalsContact C-N 3.32Å; I389-F391 PolarHBondContact O-N 2.93Å; F391-F393 VanDerWaalsContact C-N 3.34Å; F391-N394 PolarHBondContact O-N 3.49Å; F391-M395 HydrophobicContact CD1-CE 3.97Å; F391-M395 HydrophobicContact CE1-CE 3.42Å; F391-M395 VanDerWaalsContact CE1-CE 3.42Å; F391-M395 HydrophobicContact CE1-SD 3.83Å; F391-M395 HydrophobicContact CZ-CE 4.18Å; F391-M395 HydrophobicContact CZ-SD 3.97Å; F391-M395 PolarHBondContact O-N 3Å; F391-Y519 AromaticContact CE2-CD2 3.57Å; F391-Y519 HydrophobicContact CE2-CD2 3.57Å; F391-Y519 AromaticContact CE2-CE2 3.87Å; F391-Y519 HydrophobicContact CE2-CE2 3.87Å; F391-Y519 AromaticContact CZ-CD2 3.88Å; F391-Y519 HydrophobicContact CZ-CD2 3.88Å; F391-Y519 HydrophobicContact CZ-CG 4.46Å
392	L	86.2	Confident	79.6	Confident	23 Å²	23	18.4 Å²	18.4	12%	0.12	9%	0.089	C	C	.	.	H	α-helix	trans	-65.9	-37.6	177.1	-68.4	177.7	0	0	0	111.9	V208 I212 W219 T388 I389 S390 N394 M395 K396 L399	V208-L392 HydrophobicContact CG1-CD2 3.73Å; I212-L392 HydrophobicContact CD1-CD1 4.06Å; I212-L392 HydrophobicContact CD1-CD2 4.14Å; I212-L392 HydrophobicContact CD1-CG 4.44Å; I212-L392 HydrophobicContact CG1-CD2 4.38Å; W219-L392 HydrophobicContact CH2-CD1 3.98Å; W219-L392 HydrophobicContact CZ3-CD1 3.94Å; T388-L392 WeakPolarHBondContact O-CG 3.41Å; T388-L392 PolarHBondContact O-N 3.38Å; I389-L392 PolarHBondContact O-N 3.41Å; S390-L392 PolarHBondContact O-N 3.38Å; L392-N394 VanDerWaalsContact C-N 3.31Å; L392-N394 PolarHBondContact O-N 3Å; L392-M395 HydrophobicContact CD2-CE 3.64Å; L392-M395 CarbonylContact O-C 3.51Å; L392-M395 WeakPolarHBondContact O-CA 3.47Å; L392-M395 PolarHBondContact O-N 3.48Å; L392-K396 PolarHBondContact O-N 3.39Å; L392-L399 HydrophobicContact CD2-CD1 4.44Å
393	F	83.1	Confident	79.1	Confident	18 Å²	18	19.2 Å²	19.2	8%	0.079	9%	0.091	C	C	.	.	H	α-helix	trans	-62.4	-38.7	175.4	179.7	-101.6	0	0	0	112.2	E281 A282 A285 I389 S390 F391 M395 K396	E281-F393 HydrophobicContact CB-CE1 4.04Å; E281-F393 HydrophobicContact CB-CZ 4.43Å; A282-F393 VanDerWaalsContact CA-CD1 3.49Å; A282-F393 VanDerWaalsContact CA-CG 3.48Å; A282-F393 HydrophobicContact CB-CB 3.47Å; A282-F393 VanDerWaalsContact CB-CB 3.47Å; A282-F393 HydrophobicContact CB-CD1 3.55Å; A282-F393 HydrophobicContact CB-CD2 4.25Å; A282-F393 HydrophobicContact CB-CE1 4.26Å; A282-F393 HydrophobicContact CB-CG 3.5Å; A282-F393 VanDerWaalsContact CB-CG 3.5Å; A285-F393 HydrophobicContact CB-CD2 4.15Å; A285-F393 HydrophobicContact CB-CE2 3.31Å; A285-F393 HydrophobicContact CB-CZ 3.84Å; I389-F393 WeakPolarHBondContact O-CB 3.48Å; I389-F393 PolarHBondContact O-N 2.92Å; S390-F393 PolarHBondContact O-N 2.85Å; F391-F393 VanDerWaalsContact C-N 3.34Å; F393-M395 PolarHBondContact O-N 2.04Å; F393-K396 HydrophobicContact CD2-CD 4.06Å; F393-K396 HydrophobicContact CE1-CD 4.36Å; F393-K396 VanDerWaalsContact CE1-NZ 3.31Å; F393-K396 HydrophobicContact CE2-CD 3.78Å; F393-K396 HydrophobicContact CG-CD 4.46Å; F393-K396 HydrophobicContact CZ-CD 4Å; F393-K396 WeakPolarHBondContact O-CB 3.14Å; F393-K396 WeakPolarHBondContact O-CD 3.46Å; F393-K396 WeakPolarHBondContact O-CG 3.43Å; F393-K396 PolarHBondContact O-N 3.28Å
394	N	86.1	Confident	78.1	Confident	52 Å²	52	23.3 Å²	23.3	28%	0.278	12%	0.119	S	C	.	.	H	α-helix	trans	-65.8	-20.9	173.8	-73.3	-16	0	0	0	112.8	L251 Q254 S255 S390 F391 L392 Q522	L251-N394 WeakPolarHBondContact CD1-ND2 3.34Å; Q254-N394 HydrophobicContact CG-CB 4.42Å; Q254-N394 PolarHBondContact OE1-ND2 2.93Å; S255-N394 WeakPolarHBondContact CB-ND2 3.23Å; S255-N394 PolarHBondContact OG-ND2 3.39Å; S390-N394 PolarHBondContact O-N 2.88Å; F391-N394 PolarHBondContact O-N 3.49Å; L392-N394 VanDerWaalsContact C-N 3.31Å; L392-N394 PolarHBondContact O-N 3Å; N394-Q522 PolarHBondContact O-NE2 2.9Å
395	M	85.5	Confident	76.5	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.005	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	6.1	170.8	-60.8	-163.6	-58	0	0	113.9	L211 Q254 F391 L392 F393 N397 I398 L399	L211-M395 HydrophobicContact CD2-CE 3.68Å; L211-M395 HydrophobicContact CD2-SD 3.83Å; Q254-M395 VanDerWaalsContact NE2-CG 3.29Å; F391-M395 HydrophobicContact CD1-CE 3.97Å; F391-M395 HydrophobicContact CE1-CE 3.42Å; F391-M395 VanDerWaalsContact CE1-CE 3.42Å; F391-M395 HydrophobicContact CE1-SD 3.83Å; F391-M395 HydrophobicContact CZ-CE 4.18Å; F391-M395 HydrophobicContact CZ-SD 3.97Å; F391-M395 PolarHBondContact O-N 3Å; L392-M395 HydrophobicContact CD2-CE 3.64Å; L392-M395 CarbonylContact O-C 3.51Å; L392-M395 WeakPolarHBondContact O-CA 3.47Å; L392-M395 PolarHBondContact O-N 3.48Å; F393-M395 PolarHBondContact O-N 2.04Å; M395-N397 VanDerWaalsContact C-N 3.28Å; M395-N397 PolarHBondContact O-N 3.46Å; M395-N397 VanDerWaalsContact O-N 3.13Å; M395-I398 PolarHBondContact O-N 3.25Å; M395-L399 HydrophobicContact CB-CD1 4Å; M395-L399 HydrophobicContact CB-CG 4.15Å; M395-L399 WeakPolarHBondContact O-CG 3.45Å; M395-L399 PolarHBondContact O-N 2.8Å
396	K	78.1	Confident	75.2	Confident	48 Å²	48	39.1 Å²	39.1	21%	0.209	19%	0.191	C	C	.	.	H	α-helix	trans	-51.7	-40.6	-174.7	66.9	-166.8	173.4	-165.9	0	114.1	L392 F393 I398 L399 N400 Y407 I411	L392-K396 PolarHBondContact O-N 3.39Å; F393-K396 HydrophobicContact CD2-CD 4.06Å; F393-K396 HydrophobicContact CE1-CD 4.36Å; F393-K396 VanDerWaalsContact CE1-NZ 3.31Å; F393-K396 HydrophobicContact CE2-CD 3.78Å; F393-K396 HydrophobicContact CG-CD 4.46Å; F393-K396 HydrophobicContact CZ-CD 4Å; F393-K396 WeakPolarHBondContact O-CB 3.14Å; F393-K396 WeakPolarHBondContact O-CD 3.46Å; F393-K396 WeakPolarHBondContact O-CG 3.43Å; F393-K396 PolarHBondContact O-N 3.28Å; K396-I398 VanDerWaalsContact C-N 3.29Å; K396-I398 PolarHBondContact O-N 3.06Å; K396-L399 PolarHBondContact O-N 2.71Å; K396-N400 WeakPolarHBondContact O-CA 3.26Å; K396-N400 WeakPolarHBondContact O-CB 3.23Å; K396-N400 PolarHBondContact O-N 3.23Å; K396-Y407 HydrophobicContact CB-CD1 4.12Å; K396-Y407 HydrophobicContact CB-CE1 3.47Å; K396-Y407 VanDerWaalsContact CB-CE1 3.47Å; K396-Y407 HydrophobicContact CB-CE2 4.34Å; K396-I411 HydrophobicContact CD-CD1 4.3Å
397	N	73.3	Confident	73.8	Confident	48 Å²	48	41.4 Å²	41.4	26%	0.257	20%	0.2	S	C	.	.	H	α-helix	trans	-66.6	-33.1	-177.7	-65.2	-17.5	0	0	0	112.4	M395	M395-N397 VanDerWaalsContact C-N 3.28Å; M395-N397 PolarHBondContact O-N 3.46Å; M395-N397 VanDerWaalsContact O-N 3.13Å
398	I	78.1	Confident	72	Confident	15 Å²	15	45.2 Å²	45.2	8%	0.077	23%	0.225	C	C	.	.	H	α-helix	trans	-77.4	-47.2	176.6	-60.2	-86.5	0	0	0	108.9	M395 K396 N400 R401 Y402 Y514 F515 V518	M395-I398 PolarHBondContact O-N 3.25Å; K396-I398 VanDerWaalsContact C-N 3.29Å; K396-I398 PolarHBondContact O-N 3.06Å; I398-N400 VanDerWaalsContact C-N 3.27Å; I398-N400 PolarHBondContact O-N 2.86Å; I398-R401 WeakPolarHBondContact O-CB 3.31Å; I398-R401 WeakPolarHBondContact O-CG 3.28Å; I398-R401 PolarHBondContact O-N 2.96Å; I398-Y402 WeakPolarHBondContact O-CD2 2.99Å; I398-Y514 VanDerWaalsContact CD1-OH 3.29Å; I398-Y514 WeakPolarHBondContact CD1-OH 3.39Å; I398-Y514 HydrophobicContact CG2-CE1 3.75Å; I398-F515 HydrophobicContact CG2-CE1 4.41Å; I398-V518 HydrophobicContact CB-CG1 4.42Å; I398-V518 HydrophobicContact CD1-CG1 3.88Å; I398-V518 HydrophobicContact CD1-CG2 3.9Å; I398-V518 HydrophobicContact CG1-CG1 3.73Å; I398-V518 HydrophobicContact CG2-CG1 4.31Å; I398-V518 HydrophobicContact CG2-CG2 4.24Å
399	L	75.8	Confident	70.2	Confident	11 Å²	11	51.5 Å²	51.5	6%	0.058	27%	0.268	C	S	.	.	H	α-helix	trans	-63.9	-31.4	178.7	-67.7	173	0	0	0	112.6	V208 L392 M395 K396 R401 Y402 Y403 Y407 F515	V208-L399 HydrophobicContact CG2-CD2 3.95Å; L392-L399 HydrophobicContact CD2-CD1 4.44Å; M395-L399 HydrophobicContact CB-CD1 4Å; M395-L399 HydrophobicContact CB-CG 4.15Å; M395-L399 WeakPolarHBondContact O-CG 3.45Å; M395-L399 PolarHBondContact O-N 2.8Å; K396-L399 PolarHBondContact O-N 2.71Å; L399-R401 PolarHBondContact O-N 3.23Å; L399-Y402 PolarHBondContact O-N 3.41Å; L399-Y403 HydrophobicContact CB-CD2 4.4Å; L399-Y403 HydrophobicContact CD2-CD2 4.42Å; L399-Y403 HydrophobicContact CD2-CE2 4.38Å; L399-Y403 WeakPolarHBondContact O-CD2 3.13Å; L399-Y403 PolarHBondContact O-N 3.41Å; L399-Y407 HydrophobicContact CB-CE2 4.29Å; L399-F515 HydrophobicContact CD2-CE1 3.84Å
400	N	71	Confident	68.8	Low	34 Å²	34	56.4 Å²	56.4	18%	0.182	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-20.2	177.8	-165.4	40.6	0	0	0	112.6	K396 I398 Y402 S404 Y407	K396-N400 WeakPolarHBondContact O-CA 3.26Å; K396-N400 WeakPolarHBondContact O-CB 3.23Å; K396-N400 PolarHBondContact O-N 3.23Å; I398-N400 VanDerWaalsContact C-N 3.27Å; I398-N400 PolarHBondContact O-N 2.86Å; N400-Y402 PolarHBondContact O-N 3.4Å; N400-S404 WeakPolarHBondContact OD1-CA 3.28Å; N400-Y407 HydrophobicContact CB-CD2 4.13Å
401	R	70.2	Confident	67.3	Low	66 Å²	66	58.1 Å²	58.1	25%	0.249	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-27.2	170.3	-63.5	-173	-173	154	17.8	112.6	I398 L399 P415 T416 E421 Y514	I398-R401 WeakPolarHBondContact O-CB 3.31Å; I398-R401 WeakPolarHBondContact O-CG 3.28Å; I398-R401 PolarHBondContact O-N 2.96Å; L399-R401 PolarHBondContact O-N 3.23Å; R401-P415 HydrophobicContact CG-CB 3.7Å; R401-P415 HydrophobicContact CG-CG 4.44Å; R401-T416 PolarHBondContact NE-O 2.76Å; R401-T416 VanDerWaalsContact NE-O 3.08Å; R401-T416 PolarHBondContact NH2-O 3.16Å; R401-E421 IonicContact CZ-OE1 3.74Å; R401-E421 IonicContact NH1-OE1 2.83Å; R401-E421 PolarHBondContact NH1-OE1 3.22Å; R401-E421 IonicContact NH2-OE1 3.34Å; R401-E421 PolarHBondContact NH2-OE1 3.07Å; R401-Y514 PolarHBondContact NH1-OH 3.12Å
402	Y	68.7	Low	65.2	Low	30 Å²	30	63.5 Å²	63.5	12%	0.118	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-30.3	-173.5	-55.6	-79.9	0	0	0	112.6	S196 I204 I398 L399 N400 Y514 F515	S196-Y402 WeakPolarHBondContact CB-OH 2.8Å; S196-Y402 PolarHBondContact OG-OH 2.98Å; I204-Y402 HydrophobicContact CD1-CD1 3.17Å; I204-Y402 HydrophobicContact CD1-CE1 3.6Å; I204-Y402 HydrophobicContact CD1-CG 3.88Å; I204-Y402 HydrophobicContact CG1-CD1 4Å; I204-Y402 HydrophobicContact CG1-CE1 4.08Å; I204-Y402 HydrophobicContact CG2-CG 4.32Å; I398-Y402 WeakPolarHBondContact O-CD2 2.99Å; L399-Y402 PolarHBondContact O-N 3.41Å; N400-Y402 PolarHBondContact O-N 3.4Å; Y402-Y514 HydrophobicContact CE2-CE1 4.3Å; Y402-F515 HydrophobicContact CD2-CZ 4.35Å; Y402-F515 HydrophobicContact CE2-CZ 4.01Å
403	Y	63.6	Low	63.6	Low	35 Å²	35	69.6 Å²	69.6	14%	0.137	37%	0.367	C	S	.	.			trans	-124.2	49	-171.8	-62	-73.1	0	0	0	111.5	I201 I204 E205 L399 E405 F406	I201-Y403 HydrophobicContact CG2-CE1 3.74Å; I204-Y403 HydrophobicContact CG2-CE2 3.79Å; E205-Y403 WeakPolarHBondContact CG-OH 3.23Å; L399-Y403 HydrophobicContact CB-CD2 4.4Å; L399-Y403 HydrophobicContact CD2-CD2 4.42Å; L399-Y403 HydrophobicContact CD2-CE2 4.38Å; L399-Y403 WeakPolarHBondContact O-CD2 3.13Å; L399-Y403 PolarHBondContact O-N 3.41Å; Y403-E405 PolarHBondContact O-N 2.65Å; Y403-F406 HydrophobicContact CD1-CD2 4.02Å; Y403-F406 HydrophobicContact CD1-CE2 4.07Å; Y403-F406 HydrophobicContact CG-CD2 4.34Å; Y403-F406 PolarHBondContact O-N 3.45Å
404	S	57.9	Low	62.3	Low	85 Å²	85	77.9 Å²	77.9	59%	0.594	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-56.5	-25.5	-177.6	61.1	0	0	0	0	113.7	N400 F406	N400-S404 WeakPolarHBondContact OD1-CA 3.28Å; S404-F406 VanDerWaalsContact C-N 3.32Å; S404-F406 PolarHBondContact O-N 3.34Å
405	E	49.6	Very low	60.9	Low	182 Å²	182	77.9 Å²	77.9	85%	0.85	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-72.5	-20.9	179.3	-58.8	-176.8	176.2	0	0	113.8	Y403	Y403-E405 PolarHBondContact O-N 2.65Å
406	F	49.3	Very low	59.9	Low	155 Å²	155	80.3 Å²	80.3	68%	0.68	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-92.6	-10.4	-172.9	-75.9	-84.4	0	0	0	114	Y403 S404	Y403-F406 HydrophobicContact CD1-CD2 4.02Å; Y403-F406 HydrophobicContact CD1-CE2 4.07Å; Y403-F406 HydrophobicContact CG-CD2 4.34Å; Y403-F406 PolarHBondContact O-N 3.45Å; S404-F406 VanDerWaalsContact C-N 3.32Å; S404-F406 PolarHBondContact O-N 3.34Å
407	Y	49.2	Very low	59.8	Low	48 Å²	48	80 Å²	80	19%	0.188	43%	0.425	C	S	.	.	S	Bend	trans	-114.1	134.1	-179.1	-67.7	-75.9	0	0	0	110.7	K396 L399 N400 S409 I411	K396-Y407 HydrophobicContact CB-CD1 4.12Å; K396-Y407 HydrophobicContact CB-CE1 3.47Å; K396-Y407 VanDerWaalsContact CB-CE1 3.47Å; K396-Y407 HydrophobicContact CB-CE2 4.34Å; L399-Y407 HydrophobicContact CB-CE2 4.29Å; N400-Y407 HydrophobicContact CB-CD2 4.13Å; Y407-S409 PolarHBondContact O-N 2.82Å; Y407-I411 HydrophobicContact CD1-CD1 4.04Å; Y407-I411 HydrophobicContact CG-CD1 4.2Å
408	P	47.1	Very low	60.5	Low	80 Å²	80	78.5 Å²	78.5	52%	0.519	42%	0.418	S	S	.	.			trans	-59	139	177.5	23	-30.4	0	0	0	109.7	T410 I411	P408-T410 PolarHBondContact O-N 3.38Å; P408-I411 PolarHBondContact O-N 3.15Å
409	S	47.4	Very low	61	Low	131 Å²	131	78.5 Å²	78.5	92%	0.916	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-1.4	178.8	28.8	0	0	0	0	114.3	Y407 I411	Y407-S409 PolarHBondContact O-N 2.82Å; S409-I411 VanDerWaalsContact C-N 3.35Å
410	T	50.8	Low	61.4	Low	113 Å²	113	81.2 Å²	81.2	69%	0.693	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-0.8	176.6	56.3	0	0	0	0	114.3	P408 P412	P408-T410 PolarHBondContact O-N 3.38Å; T410-P412 WeakPolarHBondContact O-CD 3.46Å
411	I	51.3	Low	62.2	Low	45 Å²	45	80 Å²	80	23%	0.231	43%	0.426	C	S	.	.			trans	-76	107.6	171.6	-57.8	-179.9	0	0	0	108.5	K396 Y407 P408 S409 K413	K396-I411 HydrophobicContact CD-CD1 4.3Å; Y407-I411 HydrophobicContact CD1-CD1 4.04Å; Y407-I411 HydrophobicContact CG-CD1 4.2Å; P408-I411 PolarHBondContact O-N 3.15Å; S409-I411 VanDerWaalsContact C-N 3.35Å; I411-K413 PolarHBondContact O-N 2.66Å; I411-K413 VanDerWaalsContact O-N 3.14Å
412	P	48.1	Very low	63.2	Low	114 Å²	114	76.8 Å²	76.8	74%	0.74	41%	0.414	S	S	*	.			trans	-74.3	-9	-168.2	-14	30.1	0	0	0	113.9	T410 K414	T410-P412 WeakPolarHBondContact O-CD 3.46Å; P412-K414 PolarHBondContact O-N 3.42Å
413	K	52.3	Low	64.1	Low	151 Å²	151	77.4 Å²	77.4	66%	0.657	42%	0.417	S	S	*	.			trans	-90.4	110.6	-173	-69.5	-172.5	176.9	-176.6	0	109.8	I411	I411-K413 PolarHBondContact O-N 2.66Å; I411-K413 VanDerWaalsContact O-N 3.14Å
414	K	55.4	Low	65	Low	192 Å²	192	79.9 Å²	79.9	84%	0.835	43%	0.43	S	S	*	.			trans	-43.3	132.4	159.4	-171.8	179.9	-179.7	-175.2	0	107.5	P412 T416	P412-K414 PolarHBondContact O-N 3.42Å; K414-T416 PolarHBondContact O-N 2.88Å
415	P	56	Low	66.5	Low	52 Å²	52	75.9 Å²	75.9	34%	0.338	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-53.3	131.9	177.2	19.3	-29	0	0	0	108.5	R401 S417	R401-P415 HydrophobicContact CG-CB 3.7Å; R401-P415 HydrophobicContact CG-CG 4.44Å; P415-S417 PolarHBondContact O-N 2.97Å
416	T	64.2	Low	68.4	Low	52 Å²	52	67.2 Å²	67.2	32%	0.319	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-47.1	140.5	172.6	-49	0	0	0	0	108	R401 K414 D420 E421	R401-T416 PolarHBondContact NE-O 2.76Å; R401-T416 VanDerWaalsContact NE-O 3.08Å; R401-T416 PolarHBondContact NH2-O 3.16Å; K414-T416 PolarHBondContact O-N 2.88Å; T416-D420 HydrophobicContact CG2-CB 3.39Å; T416-E421 HydrophobicContact CG2-CG 4.11Å
417	S	77.5	Confident	70	Confident	42 Å²	42	63.9 Å²	63.9	29%	0.294	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-76.3	164.4	171.5	70.9	0	0	0	0	109.6	P415 I419 D420 E421	P415-S417 PolarHBondContact O-N 2.97Å; S417-I419 PolarHBondContact O-N 3.41Å; S417-I419 PolarHBondContact OG-N 2.85Å; S417-D420 WeakPolarHBondContact CB-OD2 3.5Å; S417-D420 PolarHBondContact N-OD2 3.32Å; S417-D420 PolarHBondContact O-N 3.35Å; S417-D420 PolarHBondContact OG-N 3.47Å; S417-D420 PolarHBondContact OG-OD2 3.33Å; S417-E421 PolarHBondContact O-N 2.94Å
418	C	87.2	Confident	71.5	Confident	16 Å²	16	63.2 Å²	63.2	11%	0.108	34%	0.341	C	S	.	.	H	α-helix	trans	-63.1	-35.5	170.1	179.9	0	0	0	0	111.6	C193 D420 E421 V422	C193-C418 HydrophobicContact CB-CB 3.7Å; C193-C418 WeakPolarHBondContact CB-SG 3.21Å; C193-C418 WeakPolarHBondContact SG-CB 3.16Å; C193-C418 CovalentContact SG-SG 1.95Å; C193-C418 PolarHBondContact SG-SG 2.92Å; C418-D420 PolarHBondContact O-N 3.18Å; C418-E421 WeakPolarHBondContact O-CA 3.36Å; C418-E421 WeakPolarHBondContact O-CB 3.08Å; C418-E421 PolarHBondContact O-N 3.22Å; C418-V422 WeakPolarHBondContact O-CG2 2.92Å; C418-V422 PolarHBondContact O-N 3.12Å
419	I	87.9	Confident	73.4	Confident	15 Å²	15	59.4 Å²	59.4	8%	0.077	32%	0.317	C	S	.	.	H	α-helix	trans	-58.2	-40.7	177.7	-59.3	-59.3	0	0	0	111.1	D165 I168 I169 Y190 S417 E421 V422 K423	D165-I419 HydrophobicContact CB-CG2 4.24Å; D165-I419 WeakPolarHBondContact OD1-CG2 3.47Å; I168-I419 HydrophobicContact CB-CD1 4.49Å; I168-I419 HydrophobicContact CB-CG2 4.12Å; I168-I419 HydrophobicContact CG1-CG2 4.33Å; I168-I419 HydrophobicContact CG2-CD1 4.02Å; I168-I419 HydrophobicContact CG2-CG2 4.13Å; I169-I419 HydrophobicContact CD1-CD1 4.33Å; I169-I419 HydrophobicContact CG1-CD1 3.52Å; I169-I419 HydrophobicContact CG1-CG1 4.2Å; Y190-I419 HydrophobicContact CD2-CD1 4.12Å; Y190-I419 HydrophobicContact CE2-CD1 3.51Å; S417-I419 PolarHBondContact O-N 3.41Å; S417-I419 PolarHBondContact OG-N 2.85Å; I419-E421 PolarHBondContact O-N 3.38Å; I419-V422 PolarHBondContact O-N 3.43Å; I419-K423 HydrophobicContact CG2-CD 4.03Å; I419-K423 HydrophobicContact CG2-CG 4.37Å; I419-K423 WeakPolarHBondContact O-CB 3.3Å; I419-K423 VanDerWaalsContact O-CG 3.28Å; I419-K423 WeakPolarHBondContact O-CG 3.38Å; I419-K423 PolarHBondContact O-N 2.87Å
420	D	84.1	Confident	75.2	Confident	68 Å²	68	53.4 Å²	53.4	36%	0.364	27%	0.274	S	S	.	.	H	α-helix	trans	-62.3	-41.2	174.4	-62.8	-44.2	0	0	0	112.1	T416 S417 C418 K423 E424	T416-D420 HydrophobicContact CG2-CB 3.39Å; S417-D420 WeakPolarHBondContact CB-OD2 3.5Å; S417-D420 PolarHBondContact N-OD2 3.32Å; S417-D420 PolarHBondContact O-N 3.35Å; S417-D420 PolarHBondContact OG-N 3.47Å; S417-D420 PolarHBondContact OG-OD2 3.33Å; C418-D420 PolarHBondContact O-N 3.18Å; D420-K423 PolarHBondContact O-N 2.81Å; D420-E424 WeakPolarHBondContact O-CB 3.4Å; D420-E424 PolarHBondContact O-N 3.41Å
421	E	87.7	Confident	76.8	Confident	7 Å²	7	48.1 Å²	48.1	3%	0.033	24%	0.242	C	C	.	.	H	α-helix	trans	-63	-43.2	175.3	-64.9	178.4	-124.4	0	0	111.7	Y189 R401 T416 S417 C418 I419 E424 N425 Y514	Y189-E421 HydrophobicContact CE1-CB 3.68Å; Y189-E421 WeakPolarHBondContact CE1-OE2 3.37Å; Y189-E421 PolarHBondContact OH-OE2 3.38Å; R401-E421 IonicContact CZ-OE1 3.74Å; R401-E421 IonicContact NH1-OE1 2.83Å; R401-E421 PolarHBondContact NH1-OE1 3.22Å; R401-E421 IonicContact NH2-OE1 3.34Å; R401-E421 PolarHBondContact NH2-OE1 3.07Å; T416-E421 HydrophobicContact CG2-CG 4.11Å; S417-E421 PolarHBondContact O-N 2.94Å; C418-E421 WeakPolarHBondContact O-CA 3.36Å; C418-E421 WeakPolarHBondContact O-CB 3.08Å; C418-E421 PolarHBondContact O-N 3.22Å; I419-E421 PolarHBondContact O-N 3.38Å; E421-E424 PolarHBondContact O-N 3.18Å; E421-N425 WeakPolarHBondContact O-CB 3.44Å; E421-N425 PolarHBondContact O-N 2.91Å; E421-N425 PolarHBondContact O-ND2 2.96Å; E421-Y514 PolarHBondContact OE1-OH 2.63Å; E421-Y514 PolarHBondContact OE2-OH 3.02Å
422	V	91.5	Very high	78.4	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-65	-45.3	178.9	171.7	0	0	0	0	110.6	I168 M172 Y189 Y190 C418 I419 E424 N425 F426 I430	I168-V422 HydrophobicContact CG2-CG1 4.09Å; M172-V422 HydrophobicContact CE-CG1 4.01Å; M172-V422 HydrophobicContact CG-CG1 4.27Å; M172-V422 HydrophobicContact SD-CG1 4Å; Y189-V422 HydrophobicContact CD1-CG2 4Å; Y190-V422 HydrophobicContact CD2-CG2 4.15Å; C418-V422 WeakPolarHBondContact O-CG2 2.92Å; C418-V422 PolarHBondContact O-N 3.12Å; I419-V422 PolarHBondContact O-N 3.43Å; V422-E424 VanDerWaalsContact C-N 3.32Å; V422-E424 PolarHBondContact O-N 2.66Å; V422-N425 PolarHBondContact O-N 2.87Å; V422-F426 HydrophobicContact CG1-CD2 4.34Å; V422-F426 PolarHBondContact O-N 3.37Å; V422-I430 HydrophobicContact CG1-CD1 4.07Å
423	K	87.2	Confident	80.2	Confident	42 Å²	42	47.6 Å²	47.6	18%	0.183	23%	0.225	C	C	.	.	H	α-helix	trans	-57.8	-41.9	175.3	-76.6	174.1	170.5	-176.9	0	112.6	V163 D165 I168 I419 D420 R427	V163-K423 VanDerWaalsContact O-CE 3.28Å; V163-K423 WeakPolarHBondContact O-CE 3.43Å; V163-K423 PolarHBondContact O-NZ 3.43Å; D165-K423 WeakPolarHBondContact OD1-CE 3.41Å; D165-K423 IonicContact OD1-NZ 2.76Å; D165-K423 PolarHBondContact OD1-NZ 2.83Å; I168-K423 HydrophobicContact CD1-CG 4.41Å; I168-K423 HydrophobicContact CG1-CG 4.19Å; I419-K423 HydrophobicContact CG2-CD 4.03Å; I419-K423 HydrophobicContact CG2-CG 4.37Å; I419-K423 WeakPolarHBondContact O-CB 3.3Å; I419-K423 VanDerWaalsContact O-CG 3.28Å; I419-K423 WeakPolarHBondContact O-CG 3.38Å; I419-K423 PolarHBondContact O-N 2.87Å; D420-K423 PolarHBondContact O-N 2.81Å; K423-R427 WeakPolarHBondContact O-CB 3.34Å
424	E	83.8	Confident	81.8	Confident	87 Å²	87	40.9 Å²	40.9	41%	0.407	20%	0.196	S	C	.	.	H	α-helix	trans	-74.1	-36.6	-177.3	-169.3	176.7	174.9	0	0	112.8	D420 E421 V422 K525	D420-E424 WeakPolarHBondContact O-CB 3.4Å; D420-E424 PolarHBondContact O-N 3.41Å; E421-E424 PolarHBondContact O-N 3.18Å; V422-E424 VanDerWaalsContact C-N 3.32Å; V422-E424 PolarHBondContact O-N 2.66Å; E424-K525 WeakPolarHBondContact OE1-CD 3.16Å; E424-K525 WeakPolarHBondContact OE1-CE 3.49Å; E424-K525 IonicContact OE1-NZ 3.71Å; E424-K525 PolarHBondContact OE1-NZ 3.26Å; E424-K525 WeakPolarHBondContact OE2-CE 3.23Å; E424-K525 IonicContact OE2-NZ 2.78Å; E424-K525 PolarHBondContact OE2-NZ 3.27Å
425	N	88.2	Confident	83.2	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-85.6	-37	-175.8	-74.4	-54.2	0	0	0	113.9	E421 V422 I504 S521	E421-N425 WeakPolarHBondContact O-CB 3.44Å; E421-N425 PolarHBondContact O-N 2.91Å; E421-N425 PolarHBondContact O-ND2 2.96Å; V422-N425 PolarHBondContact O-N 2.87Å; N425-I504 HydrophobicContact CB-CD1 3.62Å; N425-S521 WeakPolarHBondContact ND2-CB 3.35Å; N425-S521 PolarHBondContact ND2-OG 2.93Å; N425-S521 WeakPolarHBondContact OD1-CA 3.3Å; N425-S521 WeakPolarHBondContact OD1-CB 3.45Å; N425-S521 PolarHBondContact OD1-OG 3.16Å
426	F	89.2	Confident	84.5	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.179	C	C	.	.	S	Bend	trans	-117.5	32.3	-170.4	-58.1	-81.9	0	0	0	112	A186 Y189 V422 W428 T429 I430 I504 F505	A186-F426 HydrophobicContact CB-CB 3.85Å; A186-F426 HydrophobicContact CB-CD1 3.58Å; A186-F426 HydrophobicContact CB-CD2 3.91Å; A186-F426 HydrophobicContact CB-CE1 4.07Å; A186-F426 HydrophobicContact CB-CE2 4.37Å; A186-F426 HydrophobicContact CB-CG 3.48Å; A186-F426 VanDerWaalsContact CB-CG 3.48Å; A186-F426 HydrophobicContact CB-CZ 4.43Å; Y189-F426 VanDerWaalsContact CB-CE2 3.43Å; Y189-F426 HydrophobicContact CD1-CE2 4.29Å; Y189-F426 AromaticContact CD2-CE2 3.78Å; Y189-F426 HydrophobicContact CD2-CE2 3.78Å; Y189-F426 HydrophobicContact CD2-CZ 4.03Å; Y189-F426 AromaticContact CG-CE2 3.58Å; Y189-F426 HydrophobicContact CG-CE2 3.58Å; Y189-F426 HydrophobicContact CG-CZ 4.1Å; V422-F426 HydrophobicContact CG1-CD2 4.34Å; V422-F426 PolarHBondContact O-N 3.37Å; F426-W428 VanDerWaalsContact C-N 3.32Å; F426-W428 PolarHBondContact O-N 2.8Å; F426-T429 PolarHBondContact O-N 2.79Å; F426-T429 VanDerWaalsContact O-N 3.16Å; F426-I430 HydrophobicContact CB-CD1 4.32Å; F426-I430 HydrophobicContact CB-CG1 4.49Å; F426-I430 WeakPolarHBondContact O-CB 3.46Å; F426-I430 WeakPolarHBondContact O-CD1 3.43Å; F426-I430 VanDerWaalsContact O-CG1 3.28Å; F426-I430 WeakPolarHBondContact O-CG1 3.09Å; F426-I430 PolarHBondContact O-N 2.78Å; F426-I504 HydrophobicContact CD1-CG2 4.42Å; F426-I504 HydrophobicContact CE1-CD1 4.17Å; F426-I504 HydrophobicContact CE1-CG2 4.02Å; F426-I504 HydrophobicContact CE2-CD1 3.99Å; F426-I504 HydrophobicContact CZ-CD1 3.59Å; F426-I504 HydrophobicContact CZ-CG1 4.44Å; F426-F505 AromaticContact CD1-CE1 3.98Å; F426-F505 HydrophobicContact CD1-CE1 3.98Å; F426-F505 AromaticContact CD1-CZ 3.86Å; F426-F505 HydrophobicContact CD1-CZ 3.86Å; F426-F505 AromaticContact CE1-CE1 3.84Å; F426-F505 HydrophobicContact CE1-CE1 3.84Å; F426-F505 HydrophobicContact CE1-CZ 4.19Å
427	R	83	Confident	85.4	Confident	85 Å²	85	36.3 Å²	36.3	32%	0.321	17%	0.165	S	C	.	.	H	α-helix	trans	-53.6	-46.8	-173.2	-167.9	176.6	-167.1	-176.6	0.6	112.6	K423 I430 E431 D541	K423-R427 WeakPolarHBondContact O-CB 3.34Å; R427-I430 PolarHBondContact O-N 2.78Å; R427-E431 WeakPolarHBondContact O-CB 3.15Å; R427-E431 PolarHBondContact O-N 3.38Å; R427-D541 IonicContact CZ-OD1 3.74Å; R427-D541 IonicContact CZ-OD2 2.66Å; R427-D541 IonicContact NE-OD1 2.81Å; R427-D541 PolarHBondContact NE-OD1 3.3Å; R427-D541 IonicContact NE-OD2 2.92Å; R427-D541 PolarHBondContact NE-OD2 3.39Å; R427-D541 IonicContact NH1-OD1 2.8Å; R427-D541 IonicContact NH1-OD2 2.79Å; R427-D541 PolarHBondContact NH1-OD2 3.35Å; R427-D541 IonicContact NH2-OD1 2.62Å; R427-D541 PolarHBondContact NH2-OD1 3.42Å; R427-D541 IonicContact NH2-OD2 2.63Å; R427-D541 PolarHBondContact NH2-OD2 2.93Å
428	W	82.4	Confident	85.8	Confident	34 Å²	34	36.6 Å²	36.6	13%	0.129	17%	0.168	C	C	.	.	H	α-helix	trans	-70.2	-38.9	-179.1	-55.5	120.7	0	0	0	112.3	F426 E431 K432 R498 E499 D502 E539 P540 D541	F426-W428 VanDerWaalsContact C-N 3.32Å; F426-W428 PolarHBondContact O-N 2.8Å; W428-E431 WeakPolarHBondContact O-CB 3.02Å; W428-E431 PolarHBondContact O-N 2.75Å; W428-K432 PolarHBondContact O-N 3.04Å; W428-R498 HydrophobicContact CD2-CB 4.29Å; W428-R498 HydrophobicContact CE3-CB 4.18Å; W428-R498 HydrophobicContact CG-CB 4.42Å; W428-R498 VanDerWaalsContact CZ3-CZ 3.48Å; W428-E499 HydrophobicContact CB-CB 4.03Å; W428-E499 HydrophobicContact CB-CG 3.66Å; W428-D502 PolarHBondContact NE1-OD1 3.23Å; W428-E539 WeakPolarHBondContact CH2-O 3.43Å; W428-P540 VanDerWaalsContact CH2-C 3.46Å; W428-D541 HydrophobicContact CE3-CB 4.03Å; W428-D541 VanDerWaalsContact CH2-CA 3.47Å; W428-D541 HydrophobicContact CH2-CB 3.75Å; W428-D541 VanDerWaalsContact CH2-N 3.31Å; W428-D541 HydrophobicContact CZ2-CB 4.45Å; W428-D541 HydrophobicContact CZ3-CB 3.53Å
429	T	86.2	Confident	85.9	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64.6	-42.9	175.4	-58.6	0	0	0	0	110.9	F183 F426 K432 Y433 E499	F183-T429 HydrophobicContact CB-CG2 4.2Å; F183-T429 HydrophobicContact CD2-CG2 4.33Å; F426-T429 PolarHBondContact O-N 2.79Å; F426-T429 VanDerWaalsContact O-N 3.16Å; T429-K432 WeakPolarHBondContact O-CB 3.11Å; T429-K432 PolarHBondContact O-N 3.4Å; T429-Y433 VanDerWaalsContact O-CD2 3.23Å; T429-Y433 WeakPolarHBondContact O-CD2 3.39Å; T429-E499 VanDerWaalsContact CA-OE1 3.25Å; T429-E499 WeakPolarHBondContact CA-OE1 3.38Å; T429-E499 WeakPolarHBondContact CB-OE1 3.35Å; T429-E499 PolarHBondContact OG1-OE1 3.35Å
430	I	86.1	Confident	86.1	Confident	5 Å²	5	39.4 Å²	39.4	3%	0.026	19%	0.186	C	C	.	.	H	α-helix	trans	-62.2	-44.7	173.6	-68.6	160	0	0	0	110.7	V163 F167 I168 M172 V422 F426 R427 K432 Y433 H434	V163-I430 HydrophobicContact CG1-CG2 4.33Å; F167-I430 HydrophobicContact CE1-CG2 4.26Å; I168-I430 HydrophobicContact CD1-CB 4.33Å; I168-I430 HydrophobicContact CD1-CD1 3.87Å; I168-I430 HydrophobicContact CD1-CG1 4.01Å; I168-I430 HydrophobicContact CD1-CG2 3.36Å; M172-I430 HydrophobicContact CE-CG1 4.08Å; V422-I430 HydrophobicContact CG1-CD1 4.07Å; F426-I430 HydrophobicContact CB-CD1 4.32Å; F426-I430 HydrophobicContact CB-CG1 4.49Å; F426-I430 WeakPolarHBondContact O-CB 3.46Å; F426-I430 WeakPolarHBondContact O-CD1 3.43Å; F426-I430 VanDerWaalsContact O-CG1 3.28Å; F426-I430 WeakPolarHBondContact O-CG1 3.09Å; F426-I430 PolarHBondContact O-N 2.78Å; R427-I430 PolarHBondContact O-N 2.78Å; I430-K432 VanDerWaalsContact C-N 3.27Å; I430-K432 PolarHBondContact O-N 2.74Å; I430-Y433 PolarHBondContact O-N 2.81Å; I430-Y433 VanDerWaalsContact O-N 3.09Å; I430-H434 PolarHBondContact O-N 3.27Å
431	E	83.6	Confident	86.5	Confident	3 Å²	3	44.4 Å²	44.4	1%	0.014	21%	0.207	C	C	.	.	H	α-helix	trans	-54.4	-43.4	178.6	-178.7	-174.2	131.4	0	0	111.8	R427 W428 Y433 H434 S437 S490 R498 D541 A542 F543	R427-E431 WeakPolarHBondContact O-CB 3.15Å; R427-E431 PolarHBondContact O-N 3.38Å; W428-E431 WeakPolarHBondContact O-CB 3.02Å; W428-E431 PolarHBondContact O-N 2.75Å; E431-Y433 PolarHBondContact O-N 2.72Å; E431-Y433 VanDerWaalsContact O-N 3.15Å; E431-H434 PolarHBondContact O-N 3.03Å; E431-H434 VanDerWaalsContact O-N 3.14Å; E431-S437 VanDerWaalsContact CG-CB 3.47Å; E431-S437 WeakPolarHBondContact O-CB 3.34Å; E431-S437 PolarHBondContact O-OG 3.01Å; E431-S490 WeakPolarHBondContact OE1-CA 3.01Å; E431-R498 IonicContact OE1-CZ 2.66Å; E431-R498 IonicContact OE1-NH1 2.87Å; E431-R498 PolarHBondContact OE1-NH1 3.17Å; E431-D541 WeakPolarHBondContact OE2-CA 3.48Å; E431-D541 VanDerWaalsContact OE2-CB 3.26Å; E431-D541 WeakPolarHBondContact OE2-CB 3.5Å; E431-A542 HydrophobicContact CG-CB 3.87Å; E431-A542 VanDerWaalsContact OE1-CB 3.23Å; E431-A542 WeakPolarHBondContact OE1-CB 3.39Å; E431-A542 PolarHBondContact OE2-N 2.92Å; E431-F543 HydrophobicContact CB-CE2 3.79Å; E431-F543 HydrophobicContact CG-CE2 3.8Å; E431-F543 HydrophobicContact CG-CZ 4.27Å
432	K	84.3	Confident	86.7	Confident	87 Å²	87	48.2 Å²	48.2	38%	0.378	24%	0.235	S	C	.	.	H	α-helix	trans	-53.5	-34.8	178.1	-175.8	-177	177.2	-177.5	0	113.4	D180 W428 T429 I430 A495	D180-K432 IonicContact OD2-NZ 2.66Å; D180-K432 PolarHBondContact OD2-NZ 3.48Å; W428-K432 PolarHBondContact O-N 3.04Å; T429-K432 WeakPolarHBondContact O-CB 3.11Å; T429-K432 PolarHBondContact O-N 3.4Å; I430-K432 VanDerWaalsContact C-N 3.27Å; I430-K432 PolarHBondContact O-N 2.74Å; K432-A495 HydrophobicContact CD-CB 4.32Å
433	Y	85.8	Confident	86.8	Confident	60 Å²	60	49.9 Å²	49.9	24%	0.235	25%	0.245	C	C	.	.	H	α-helix	trans	-98.9	-6.8	-176.9	-67.5	-80.6	0	0	0	114	L171 N177 D180 F183 T429 I430 E431	L171-Y433 HydrophobicContact CD1-CD1 4.45Å; L171-Y433 HydrophobicContact CD1-CG 4.02Å; N177-Y433 WeakPolarHBondContact ND2-CE1 3.24Å; D180-Y433 PolarHBondContact OD2-OH 3.34Å; F183-Y433 HydrophobicContact CB-CE2 4.02Å; F183-Y433 AromaticContact CD2-CD2 3.82Å; F183-Y433 HydrophobicContact CD2-CD2 3.82Å; F183-Y433 AromaticContact CD2-CE2 3.44Å; F183-Y433 HydrophobicContact CD2-CE2 3.44Å; F183-Y433 VanDerWaalsContact CD2-CE2 3.44Å; F183-Y433 AromaticContact CD2-CZ 3.97Å; F183-Y433 HydrophobicContact CE2-CD2 4.19Å; F183-Y433 HydrophobicContact CE2-CE2 4.17Å; F183-Y433 AromaticContact CG-CE2 3.92Å; F183-Y433 HydrophobicContact CG-CE2 3.92Å; T429-Y433 VanDerWaalsContact O-CD2 3.23Å; T429-Y433 WeakPolarHBondContact O-CD2 3.39Å; I430-Y433 PolarHBondContact O-N 2.81Å; I430-Y433 VanDerWaalsContact O-N 3.09Å; E431-Y433 PolarHBondContact O-N 2.72Å; E431-Y433 VanDerWaalsContact O-N 3.15Å
434	H	85.9	Confident	87.1	Confident	11 Å²	11	51.8 Å²	51.8	5%	0.051	25%	0.254	C	S	.	.			trans	-91	127.2	-174.5	-172.5	-85.5	0	0	0	111.7	F167 I430 E431 Y436 S437 F543	F167-H434 AromaticContact CD1-CD2 3.58Å; F167-H434 HydrophobicContact CE1-CB 4.04Å; F167-H434 AromaticContact CE1-CD2 3.43Å; F167-H434 VanDerWaalsContact CE1-CD2 3.43Å; F167-H434 WeakPolarHBondContact CE1-CD2 3.41Å; F167-H434 AromaticContact CG-CD2 4Å; F167-H434 HydrophobicContact CZ-CB 3.9Å; F167-H434 AromaticContact CZ-CD2 3.71Å; I430-H434 PolarHBondContact O-N 3.27Å; E431-H434 PolarHBondContact O-N 3.03Å; E431-H434 VanDerWaalsContact O-N 3.14Å; H434-Y436 VanDerWaalsContact C-N 3.28Å; H434-Y436 AromaticContact CE1-CD2 3.44Å; H434-Y436 VanDerWaalsContact CE1-CD2 3.44Å; H434-Y436 WeakPolarHBondContact CE1-CD2 3.38Å; H434-Y436 AromaticContact CE1-CG 3.72Å; H434-Y436 PolarHBondContact ND1-N 2.96Å; H434-Y436 VanDerWaalsContact ND1-N 3.19Å; H434-Y436 PolarHBondContact O-N 3.27Å; H434-Y436 VanDerWaalsContact O-N 3.14Å; H434-S437 WeakPolarHBondContact O-CB 3.12Å; H434-S437 PolarHBondContact O-N 1.95Å; H434-S437 PolarHBondContact O-OG 3.13Å; H434-F543 HydrophobicContact CB-CZ 3.77Å; H434-F543 AromaticContact CE1-CE1 3.79Å; H434-F543 AromaticContact CG-CZ 3.63Å; H434-F543 AromaticContact ND1-CE1 3.36Å; H434-F543 WeakPolarHBondContact ND1-CE1 3.37Å; H434-F543 AromaticContact ND1-CZ 3.38Å; H434-F543 WeakPolarHBondContact ND1-CZ 3.32Å
435	K	84.8	Confident	87.6	Confident	135 Å²	135	50.4 Å²	50.4	59%	0.587	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-53.3	-39.9	-175.8	54.5	169	173.7	168.7	0	114.5	S437 S438	K435-S437 PolarHBondContact O-N 3.39Å; K435-S438 PolarHBondContact O-N 3.13Å; K435-S438 PolarHBondContact O-OG 3.27Å
436	Y	84.5	Confident	87.9	Confident	61 Å²	61	52.7 Å²	52.7	24%	0.239	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-80.5	6.4	-177.9	-51.7	-33.8	0	0	0	114	H434 A562 G563 N566	H434-Y436 VanDerWaalsContact C-N 3.28Å; H434-Y436 AromaticContact CE1-CD2 3.44Å; H434-Y436 VanDerWaalsContact CE1-CD2 3.44Å; H434-Y436 WeakPolarHBondContact CE1-CD2 3.38Å; H434-Y436 AromaticContact CE1-CG 3.72Å; H434-Y436 PolarHBondContact ND1-N 2.96Å; H434-Y436 VanDerWaalsContact ND1-N 3.19Å; H434-Y436 PolarHBondContact O-N 3.27Å; H434-Y436 VanDerWaalsContact O-N 3.14Å; Y436-A562 CarbonylContact O-C 3.53Å; Y436-G563 PolarHBondContact O-N 3.01Å; Y436-N566 HydrophobicContact CD1-CB 3.73Å; Y436-N566 VanDerWaalsContact CD1-OD1 3.26Å; Y436-N566 WeakPolarHBondContact CD1-OD1 3.34Å; Y436-N566 HydrophobicContact CD2-CB 4.45Å; Y436-N566 HydrophobicContact CE1-CB 4.45Å; Y436-N566 HydrophobicContact CG-CB 3.75Å; Y436-N566 PolarHBondContact O-ND2 3.01Å
437	S	82.6	Confident	88.2	Confident	3 Å²	3	52.7 Å²	52.7	2%	0.021	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-81.2	-3.1	166	72.5	0	0	0	0	112.6	E431 H434 K435 T489 S490 A562	E431-S437 VanDerWaalsContact CG-CB 3.47Å; E431-S437 WeakPolarHBondContact O-CB 3.34Å; E431-S437 PolarHBondContact O-OG 3.01Å; H434-S437 WeakPolarHBondContact O-CB 3.12Å; H434-S437 PolarHBondContact O-N 1.95Å; H434-S437 PolarHBondContact O-OG 3.13Å; K435-S437 PolarHBondContact O-N 3.39Å; S437-T489 CarbonylContact O-C 3.37Å; S437-T489 WeakPolarHBondContact O-CA 3.38Å; S437-T489 WeakPolarHBondContact O-CB 3.23Å; S437-S490 PolarHBondContact O-N 2.58Å; S437-S490 PolarHBondContact O-OG 3.27Å; S437-S490 VanDerWaalsContact OG-CB 3.23Å; S437-S490 WeakPolarHBondContact OG-CB 3.34Å; S437-S490 PolarHBondContact OG-OG 2.89Å; S437-A562 WeakPolarHBondContact O-CB 3.36Å
438	S	86.7	Confident	88.8	Confident	49 Å²	49	51.8 Å²	51.8	34%	0.343	27%	0.27	S	S	.	.	S	Bend	trans	-127.3	164.6	176.1	66.3	0	0	0	0	110.4	K435 N566	K435-S438 PolarHBondContact O-N 3.13Å; K435-S438 PolarHBondContact O-OG 3.27Å; S438-N566 PolarHBondContact O-ND2 2.87Å
439	I	89.5	Confident	89.5	Confident	30 Å²	30	55.5 Å²	55.5	15%	0.154	29%	0.288	C	S	.	.			trans	-132.1	161.8	174.6	58.1	167.9	0	0	0	109.8	E444 I487 T489 A562 L565	I439-E444 HydrophobicContact CD1-CB 3.59Å; I439-E444 HydrophobicContact CD1-CG 4.31Å; I439-E444 HydrophobicContact CG1-CB 4.38Å; I439-I487 HydrophobicContact CD1-CB 4.48Å; I439-I487 HydrophobicContact CD1-CD1 3.56Å; I439-I487 HydrophobicContact CD1-CG2 3.81Å; I439-T489 HydrophobicContact CG1-CG2 4.43Å; I439-A562 HydrophobicContact CG2-CB 3.98Å; I439-L565 HydrophobicContact CD1-CD1 4.02Å; I439-L565 HydrophobicContact CG2-CB 3.74Å; I439-L565 HydrophobicContact CG2-CD1 4.39Å
440	S	91.3	Very high	89.9	Confident	60 Å²	60	55.6 Å²	55.6	42%	0.42	29%	0.289	S	S	.	.			trans	-74.4	151.1	172.1	81.1	0	0	0	0	110.8	S442 T443 E444	S440-S442 PolarHBondContact O-N 2.87Å; S440-S442 PolarHBondContact OG-N 3.28Å; S440-T443 PolarHBondContact O-N 3.29Å; S440-T443 PolarHBondContact OG-N 3.29Å; S440-T443 PolarHBondContact OG-OG1 3.34Å; S440-E444 PolarHBondContact O-N 3.22Å
441	E	91.8	Very high	90.5	Very high	172 Å²	172	55.4 Å²	55.4	80%	0.804	29%	0.288	S	S	*	.	H	α-helix	trans	-56.6	-33.4	173.8	-66.9	178.3	-177.6	0	0	111.8	E444 A445	E441-E444 PolarHBondContact O-N 3.43Å; E441-A445 WeakPolarHBondContact O-CB 3.25Å; E441-A445 PolarHBondContact O-N 2.9Å
442	S	92.7	Very high	91.1	Very high	88 Å²	88	59.7 Å²	59.7	62%	0.615	31%	0.308	S	S	*	.	H	α-helix	trans	-66.5	-42.8	176.1	-172.6	0	0	0	0	112.1	S440 E444 E446	S440-S442 PolarHBondContact O-N 2.87Å; S440-S442 PolarHBondContact OG-N 3.28Å; S442-E444 VanDerWaalsContact C-N 3.35Å; S442-E446 WeakPolarHBondContact O-CB 3.26Å; S442-E446 PolarHBondContact O-N 2.74Å; S442-E446 VanDerWaalsContact O-N 3.11Å
443	T	92.8	Very high	91.6	Very high	34 Å²	34	58.7 Å²	58.7	21%	0.209	31%	0.305	C	S	.	.	H	α-helix	trans	-65.8	-41.3	177.3	-53.5	0	0	0	0	110.6	S440 E446 V447 L565 L570	S440-T443 PolarHBondContact O-N 3.29Å; S440-T443 PolarHBondContact OG-N 3.29Å; S440-T443 PolarHBondContact OG-OG1 3.34Å; T443-E446 PolarHBondContact O-N 2.73Å; T443-V447 HydrophobicContact CG2-CG2 4.43Å; T443-V447 VanDerWaalsContact O-CG2 3.27Å; T443-V447 WeakPolarHBondContact O-CG2 3.19Å; T443-V447 PolarHBondContact O-N 2.89Å; T443-L565 HydrophobicContact CG2-CB 4.47Å; T443-L570 HydrophobicContact CG2-CD2 3.76Å
444	E	93.2	Very high	92.1	Very high	82 Å²	82	55.8 Å²	55.8	38%	0.383	29%	0.293	S	S	.	.	H	α-helix	trans	-59.2	-51.8	176.1	177.8	162.3	-170	0	0	111.7	I439 S440 E441 S442 E446 V447 L448 I487	I439-E444 HydrophobicContact CD1-CB 3.59Å; I439-E444 HydrophobicContact CD1-CG 4.31Å; I439-E444 HydrophobicContact CG1-CB 4.38Å; S440-E444 PolarHBondContact O-N 3.22Å; E441-E444 PolarHBondContact O-N 3.43Å; S442-E444 VanDerWaalsContact C-N 3.35Å; E444-E446 VanDerWaalsContact C-N 3.3Å; E444-E446 PolarHBondContact O-N 2.61Å; E444-V447 PolarHBondContact O-N 3.02Å; E444-L448 HydrophobicContact CG-CD1 3.93Å; E444-L448 WeakPolarHBondContact O-CB 3.42Å; E444-L448 VanDerWaalsContact O-CG 3.31Å; E444-L448 WeakPolarHBondContact O-CG 3.39Å; E444-L448 PolarHBondContact O-N 2.73Å; E444-I487 HydrophobicContact CB-CD1 4.34Å; E444-I487 HydrophobicContact CG-CD1 4Å
445	A	95.1	Very high	92.5	Very high	58 Å²	58	56 Å²	56	48%	0.479	29%	0.294	S	S	.	.	H	α-helix	trans	-59.2	-41.3	179.4	0	0	0	0	0	112.3	E441 L448 Q449	E441-A445 WeakPolarHBondContact O-CB 3.25Å; E441-A445 PolarHBondContact O-N 2.9Å; A445-L448 PolarHBondContact O-N 3.03Å; A445-Q449 WeakPolarHBondContact O-CB 3.19Å; A445-Q449 PolarHBondContact O-N 3.3Å
446	E	94.6	Very high	93	Very high	49 Å²	49	53.1 Å²	53.1	23%	0.229	29%	0.288	C	S	.	.	H	α-helix	trans	-67.7	-43	-179.8	-166.2	-175.1	87.1	0	0	112.5	S442 T443 E444 Q449 M450 K579	S442-E446 WeakPolarHBondContact O-CB 3.26Å; S442-E446 PolarHBondContact O-N 2.74Å; S442-E446 VanDerWaalsContact O-N 3.11Å; T443-E446 PolarHBondContact O-N 2.73Å; E444-E446 VanDerWaalsContact C-N 3.3Å; E444-E446 PolarHBondContact O-N 2.61Å; E446-Q449 WeakPolarHBondContact O-CB 3.24Å; E446-Q449 PolarHBondContact O-N 2.8Å; E446-M450 WeakPolarHBondContact O-CG 3.42Å; E446-M450 PolarHBondContact O-N 3.08Å; E446-K579 WeakPolarHBondContact OE1-CD 3.36Å; E446-K579 WeakPolarHBondContact OE1-CE 3.5Å; E446-K579 IonicContact OE1-NZ 2.67Å; E446-K579 PolarHBondContact OE1-NZ 2.98Å; E446-K579 IonicContact OE2-NZ 2.76Å; E446-K579 PolarHBondContact OE2-NZ 3.27Å
447	V	95.2	Very high	93.4	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.006	28%	0.283	C	S	.	.	H	α-helix	trans	-65.8	-39.7	177.3	171.4	0	0	0	0	111.2	T443 E444 Q449 M450 F451 L485 I487 L565 I583 I587	T443-V447 HydrophobicContact CG2-CG2 4.43Å; T443-V447 VanDerWaalsContact O-CG2 3.27Å; T443-V447 WeakPolarHBondContact O-CG2 3.19Å; T443-V447 PolarHBondContact O-N 2.89Å; E444-V447 PolarHBondContact O-N 3.02Å; V447-Q449 VanDerWaalsContact C-N 3.33Å; V447-M450 PolarHBondContact O-N 3.3Å; V447-F451 PolarHBondContact O-N 2.61Å; V447-L485 HydrophobicContact CG1-CD2 3.76Å; V447-I487 HydrophobicContact CG1-CD1 4.37Å; V447-L565 HydrophobicContact CG1-CD1 4.4Å; V447-L565 HydrophobicContact CG1-CD2 4.36Å; V447-L565 HydrophobicContact CG2-CD1 4.26Å; V447-L565 HydrophobicContact CG2-CD2 3.83Å; V447-I583 HydrophobicContact CG1-CG2 4.33Å; V447-I587 HydrophobicContact CG1-CD1 4.42Å
448	L	96.3	Very high	93.9	Very high	65 Å²	65	51.2 Å²	51.2	34%	0.34	28%	0.282	S	S	.	.	H	α-helix	trans	-63.9	-39	174	-71.3	170.6	0	0	0	111.7	E444 A445 F451 E452 L485	E444-L448 HydrophobicContact CG-CD1 3.93Å; E444-L448 WeakPolarHBondContact O-CB 3.42Å; E444-L448 VanDerWaalsContact O-CG 3.31Å; E444-L448 WeakPolarHBondContact O-CG 3.39Å; E444-L448 PolarHBondContact O-N 2.73Å; A445-L448 PolarHBondContact O-N 3.03Å; L448-F451 WeakPolarHBondContact O-CB 3.39Å; L448-F451 PolarHBondContact O-N 2.68Å; L448-E452 PolarHBondContact O-N 3.08Å; L448-L485 HydrophobicContact CD2-CB 4.06Å; L448-L485 HydrophobicContact CD2-CD2 3.95Å; L448-L485 HydrophobicContact CD2-CG 4.41Å
449	Q	96	Very high	94.2	Very high	112 Å²	112	49.4 Å²	49.4	52%	0.523	27%	0.27	S	S	.	.	H	α-helix	trans	-63.8	-48.4	174.4	-178.8	-177.9	-17.5	0	0	111.6	A445 E446 V447 F451 E452 E453	A445-Q449 WeakPolarHBondContact O-CB 3.19Å; A445-Q449 PolarHBondContact O-N 3.3Å; E446-Q449 WeakPolarHBondContact O-CB 3.24Å; E446-Q449 PolarHBondContact O-N 2.8Å; V447-Q449 VanDerWaalsContact C-N 3.33Å; Q449-F451 PolarHBondContact O-N 3.16Å; Q449-E452 PolarHBondContact O-N 3.44Å; Q449-E452 VanDerWaalsContact O-N 3.12Å; Q449-E453 WeakPolarHBondContact CG-OE1 3.37Å; Q449-E453 PolarHBondContact NE2-OE1 3.49Å; Q449-E453 WeakPolarHBondContact O-CG 3.13Å; Q449-E453 PolarHBondContact O-N 3.21Å
450	M	96.3	Very high	94.2	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.01	29%	0.288	C	S	.	.	H	α-helix	trans	-56.5	-38.2	176.4	-70.6	172.5	63.3	0	0	112	E446 V447 E453 L454 M576 K579 Y580 I583	E446-M450 WeakPolarHBondContact O-CG 3.42Å; E446-M450 PolarHBondContact O-N 3.08Å; V447-M450 PolarHBondContact O-N 3.3Å; M450-E453 PolarHBondContact O-N 3.45Å; M450-L454 WeakPolarHBondContact O-CB 3.47Å; M450-L454 WeakPolarHBondContact O-CD1 3.47Å; M450-L454 VanDerWaalsContact O-CG 3.26Å; M450-L454 WeakPolarHBondContact O-CG 3.36Å; M450-L454 PolarHBondContact O-N 3.33Å; M450-M576 HydrophobicContact CG-CE 4.37Å; M450-K579 HydrophobicContact CE-CB 3.93Å; M450-K579 WeakPolarHBondContact CE-O 3.49Å; M450-K579 HydrophobicContact SD-CB 4.05Å; M450-Y580 HydrophobicContact CB-CE1 4.48Å; M450-Y580 HydrophobicContact CE-CD1 4.06Å; M450-Y580 HydrophobicContact CE-CD2 4.31Å; M450-Y580 HydrophobicContact CE-CE1 4.16Å; M450-Y580 HydrophobicContact CE-CE2 4.44Å; M450-Y580 HydrophobicContact CE-CG 4.1Å; M450-Y580 HydrophobicContact CG-CE2 4.29Å; M450-I583 HydrophobicContact CE-CB 4.4Å
451	F	96.9	Very high	94.1	Very high	1 Å²	1	50.1 Å²	50.1	0%	0.004	27%	0.27	C	S	.	.	H	α-helix	trans	-62.6	-44.5	176.2	168.7	-108.5	0	0	0	112.9	V447 L448 Q449 L454 K455 F483 L485 I558 I587 L591	V447-F451 PolarHBondContact O-N 2.61Å; L448-F451 WeakPolarHBondContact O-CB 3.39Å; L448-F451 PolarHBondContact O-N 2.68Å; Q449-F451 PolarHBondContact O-N 3.16Å; F451-L454 PolarHBondContact O-N 3.36Å; F451-K455 HydrophobicContact CD1-CD 4.14Å; F451-K455 HydrophobicContact CD2-CD 4.38Å; F451-K455 HydrophobicContact CE1-CD 3.5Å; F451-K455 HydrophobicContact CE2-CD 3.77Å; F451-K455 HydrophobicContact CE2-CG 4.11Å; F451-K455 HydrophobicContact CZ-CD 3.32Å; F451-K455 HydrophobicContact CZ-CG 4.16Å; F451-K455 PolarHBondContact O-N 3.24Å; F451-F483 HydrophobicContact CE2-CB 4.31Å; F451-F483 HydrophobicContact CZ-CB 3.88Å; F451-F483 WeakPolarHBondContact CZ-O 3.01Å; F451-L485 HydrophobicContact CB-CB 4.42Å; F451-L485 HydrophobicContact CB-CD2 3.93Å; F451-L485 HydrophobicContact CD1-CB 3.67Å; F451-L485 HydrophobicContact CD2-CB 4.15Å; F451-L485 HydrophobicContact CD2-CD1 4.3Å; F451-L485 HydrophobicContact CE1-CB 3.83Å; F451-L485 HydrophobicContact CE2-CB 4.32Å; F451-L485 HydrophobicContact CG-CB 3.81Å; F451-L485 HydrophobicContact CG-CD2 4.22Å; F451-L485 HydrophobicContact CG-CG 4.41Å; F451-L485 HydrophobicContact CZ-CB 4.13Å; F451-I558 HydrophobicContact CE2-CD1 3.95Å; F451-I587 HydrophobicContact CB-CD1 4.36Å; F451-I587 HydrophobicContact CD2-CG2 3.69Å; F451-I587 HydrophobicContact CE2-CG2 4.47Å; F451-L591 HydrophobicContact CE2-CD2 4.23Å
452	E	96.4	Very high	93.9	Very high	94 Å²	94	42.1 Å²	42.1	44%	0.439	23%	0.233	S	C	.	.	H	α-helix	trans	-68.2	-34.9	176.7	-66.1	-57.8	152.9	0	0	112.3	L448 Q449 K455 T456	L448-E452 PolarHBondContact O-N 3.08Å; Q449-E452 PolarHBondContact O-N 3.44Å; Q449-E452 VanDerWaalsContact O-N 3.12Å; E452-K455 PolarHBondContact O-N 2.86Å; E452-K455 IonicContact OE1-NZ 3.09Å; E452-K455 IonicContact OE2-NZ 2.67Å; E452-K455 PolarHBondContact OE2-NZ 3.42Å; E452-T456 WeakPolarHBondContact O-CB 3.47Å; E452-T456 PolarHBondContact O-N 3.16Å; E452-T456 PolarHBondContact O-OG1 2.93Å
453	E	95.8	Very high	93.6	Very high	65 Å²	65	40.7 Å²	40.7	30%	0.304	22%	0.222	S	C	.	.	H	α-helix	trans	-63.7	-42.6	173.2	-71.9	173.4	-167.3	0	0	111.6	Q449 M450 T456 T457 Y580 T656	Q449-E453 WeakPolarHBondContact CG-OE1 3.37Å; Q449-E453 PolarHBondContact NE2-OE1 3.49Å; Q449-E453 WeakPolarHBondContact O-CG 3.13Å; Q449-E453 PolarHBondContact O-N 3.21Å; M450-E453 PolarHBondContact O-N 3.45Å; E453-T456 PolarHBondContact O-N 3.31Å; E453-T457 PolarHBondContact O-N 3.13Å; E453-T457 PolarHBondContact O-OG1 3.3Å; E453-Y580 WeakPolarHBondContact CB-OH 3.44Å; E453-Y580 PolarHBondContact OE2-OH 3.19Å; E453-T656 HydrophobicContact CB-CG2 3.86Å
454	L	95.9	Very high	93.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.4	-43.9	174.5	-74.3	161.6	0	0	0	112.1	M450 F451 T456 T457 L458 Y580 I587 L591 L652 T656	M450-L454 WeakPolarHBondContact O-CB 3.47Å; M450-L454 WeakPolarHBondContact O-CD1 3.47Å; M450-L454 VanDerWaalsContact O-CG 3.26Å; M450-L454 WeakPolarHBondContact O-CG 3.36Å; M450-L454 PolarHBondContact O-N 3.33Å; F451-L454 PolarHBondContact O-N 3.36Å; L454-T456 VanDerWaalsContact C-N 3.32Å; L454-T456 PolarHBondContact O-N 3.43Å; L454-T457 PolarHBondContact O-N 2.97Å; L454-L458 VanDerWaalsContact O-CB 3.29Å; L454-L458 WeakPolarHBondContact O-CB 3.35Å; L454-L458 PolarHBondContact O-N 3.08Å; L454-Y580 HydrophobicContact CD1-CE1 4.47Å; L454-Y580 HydrophobicContact CD2-CE1 4.26Å; L454-Y580 HydrophobicContact CG-CE1 4.16Å; L454-I587 HydrophobicContact CD1-CB 3.68Å; L454-I587 HydrophobicContact CD1-CD1 4.25Å; L454-I587 HydrophobicContact CD1-CG2 3.47Å; L454-I587 VanDerWaalsContact CD1-CG2 3.47Å; L454-L591 HydrophobicContact CB-CD1 4.07Å; L454-L652 HydrophobicContact CD2-CG 4.08Å; L454-T656 HydrophobicContact CD2-CG2 4.28Å; L454-T656 WeakPolarHBondContact CD2-OG1 3.46Å; L454-T656 HydrophobicContact CG-CG2 4.36Å
455	K	94.8	Very high	92.5	Very high	14 Å²	14	39.6 Å²	39.6	6%	0.061	22%	0.224	C	C	.	.	H	α-helix	trans	-62.2	-39.9	176.1	-81.3	175.9	54.7	-172.9	0	112.5	F451 E452 L458 S459 A480 N481 F483 L591	F451-K455 HydrophobicContact CD1-CD 4.14Å; F451-K455 HydrophobicContact CD2-CD 4.38Å; F451-K455 HydrophobicContact CE1-CD 3.5Å; F451-K455 HydrophobicContact CE2-CD 3.77Å; F451-K455 HydrophobicContact CE2-CG 4.11Å; F451-K455 HydrophobicContact CZ-CD 3.32Å; F451-K455 HydrophobicContact CZ-CG 4.16Å; F451-K455 PolarHBondContact O-N 3.24Å; E452-K455 PolarHBondContact O-N 2.86Å; E452-K455 IonicContact OE1-NZ 3.09Å; E452-K455 IonicContact OE2-NZ 2.67Å; E452-K455 PolarHBondContact OE2-NZ 3.42Å; K455-L458 PolarHBondContact O-N 3.13Å; K455-S459 WeakPolarHBondContact O-CB 3.34Å; K455-S459 PolarHBondContact O-N 2.95Å; K455-S459 PolarHBondContact O-OG 3.13Å; K455-A480 VanDerWaalsContact CE-O 3.29Å; K455-A480 WeakPolarHBondContact CE-O 3.42Å; K455-N481 PolarHBondContact NZ-O 2.94Å; K455-F483 HydrophobicContact CD-CB 4.49Å; K455-F483 PolarHBondContact NZ-O 2.77Å; K455-L591 HydrophobicContact CG-CD1 4.41Å; K455-L591 HydrophobicContact CG-CD2 4.29Å
456	T	94.4	Very high	91.5	Very high	75 Å²	75	42.1 Å²	42.1	46%	0.46	24%	0.238	S	C	.	.	H	α-helix	trans	-63.7	-51	176.5	-57.6	0	0	0	0	110.1	E452 E453 L454 L458 S459 D460	E452-T456 WeakPolarHBondContact O-CB 3.47Å; E452-T456 PolarHBondContact O-N 3.16Å; E452-T456 PolarHBondContact O-OG1 2.93Å; E453-T456 PolarHBondContact O-N 3.31Å; L454-T456 VanDerWaalsContact C-N 3.32Å; L454-T456 PolarHBondContact O-N 3.43Å; T456-L458 VanDerWaalsContact C-N 3.27Å; T456-L458 PolarHBondContact O-N 2.84Å; T456-S459 PolarHBondContact O-N 3.3Å; T456-S459 VanDerWaalsContact O-N 3.09Å; T456-D460 PolarHBondContact O-N 2.89Å
457	T	94.2	Very high	90.4	Very high	24 Å²	24	44.7 Å²	44.7	15%	0.147	25%	0.246	C	C	.	.	H	α-helix	trans	-60	-37.5	178.3	-57.2	0	0	0	0	112.5	E453 L454 S461 L652 K655 T656	E453-T457 PolarHBondContact O-N 3.13Å; E453-T457 PolarHBondContact O-OG1 3.3Å; L454-T457 PolarHBondContact O-N 2.97Å; T457-S461 VanDerWaalsContact O-CB 3.28Å; T457-S461 WeakPolarHBondContact O-CB 3.48Å; T457-S461 PolarHBondContact O-N 2.98Å; T457-S461 PolarHBondContact O-OG 3.48Å; T457-L652 HydrophobicContact CG2-CD1 3.96Å; T457-K655 HydrophobicContact CG2-CB 4.2Å; T457-K655 HydrophobicContact CG2-CD 4.17Å; T457-K655 HydrophobicContact CG2-CG 3.88Å; T457-T656 WeakPolarHBondContact CB-OG1 3.34Å; T457-T656 WeakPolarHBondContact CG2-OG1 3.27Å; T457-T656 PolarHBondContact OG1-OG1 2.9Å
458	L	92.5	Very high	89.4	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-64.2	-48.6	174	174.4	59.8	0	0	0	111.2	L454 K455 T456 D460 S461 L462 A480 L591 M592 V595 L652 W732	L454-L458 VanDerWaalsContact O-CB 3.29Å; L454-L458 WeakPolarHBondContact O-CB 3.35Å; L454-L458 PolarHBondContact O-N 3.08Å; K455-L458 PolarHBondContact O-N 3.13Å; T456-L458 VanDerWaalsContact C-N 3.27Å; T456-L458 PolarHBondContact O-N 2.84Å; L458-D460 VanDerWaalsContact C-N 3.35Å; L458-D460 PolarHBondContact O-N 3.13Å; L458-S461 PolarHBondContact O-N 2.02Å; L458-L462 HydrophobicContact CD1-CD1 3.96Å; L458-L462 HydrophobicContact CD1-CG 4.11Å; L458-L462 HydrophobicContact CG-CD1 3.96Å; L458-L462 WeakPolarHBondContact O-CB 3.41Å; L458-L462 VanDerWaalsContact O-CG 3.25Å; L458-L462 WeakPolarHBondContact O-CG 3.35Å; L458-L462 PolarHBondContact O-N 3.02Å; L458-A480 HydrophobicContact CD2-CB 3.7Å; L458-A480 HydrophobicContact CG-CB 4.07Å; L458-L591 HydrophobicContact CD2-CB 4.08Å; L458-L591 HydrophobicContact CD2-CD1 4.44Å; L458-L591 HydrophobicContact CD2-CD2 4.5Å; L458-M592 HydrophobicContact CD1-SD 4.01Å; L458-V595 HydrophobicContact CD2-CG2 4.21Å; L458-L652 HydrophobicContact CB-CD1 3.88Å; L458-L652 HydrophobicContact CB-CD2 4.11Å; L458-L652 HydrophobicContact CD1-CD2 4.43Å; L458-L652 HydrophobicContact CD2-CD2 4.46Å; L458-W732 HydrophobicContact CD1-CH2 3.58Å; L458-W732 HydrophobicContact CD1-CZ2 3.84Å
459	S	92.1	Very high	88.6	Confident	12 Å²	12	49.2 Å²	49.2	8%	0.084	26%	0.263	C	S	.	.	H	α-helix	trans	-62.2	-41.2	179	-63.8	0	0	0	0	112.2	K455 T456 L462 S463 N481	K455-S459 WeakPolarHBondContact O-CB 3.34Å; K455-S459 PolarHBondContact O-N 2.95Å; K455-S459 PolarHBondContact O-OG 3.13Å; T456-S459 PolarHBondContact O-N 3.3Å; T456-S459 VanDerWaalsContact O-N 3.09Å; S459-L462 PolarHBondContact O-N 2.93Å; S459-S463 WeakPolarHBondContact O-CB 3.44Å; S459-S463 PolarHBondContact O-N 3.32Å; S459-S463 PolarHBondContact O-OG 3.26Å; S459-N481 PolarHBondContact OG-OD1 2.95Å
460	D	91.1	Very high	88	Confident	100 Å²	100	50.2 Å²	50.2	54%	0.535	27%	0.268	S	S	.	.	H	α-helix	trans	-65.6	-43.7	176.3	-70.4	-17	0	0	0	111.1	T456 L458 S463 S464	T456-D460 PolarHBondContact O-N 2.89Å; L458-D460 VanDerWaalsContact C-N 3.35Å; L458-D460 PolarHBondContact O-N 3.13Å; D460-S463 PolarHBondContact O-N 2.74Å; D460-S464 PolarHBondContact O-N 3.22Å
461	S	88.6	Confident	87.4	Confident	5 Å²	5	56.3 Å²	56.3	4%	0.035	30%	0.3	C	S	.	.	H	α-helix	trans	-60.3	-49.6	175.6	-62	0	0	0	0	110.6	T457 L458 S463 S464 M465 K655	T457-S461 VanDerWaalsContact O-CB 3.28Å; T457-S461 WeakPolarHBondContact O-CB 3.48Å; T457-S461 PolarHBondContact O-N 2.98Å; T457-S461 PolarHBondContact O-OG 3.48Å; L458-S461 PolarHBondContact O-N 2.02Å; S461-S463 VanDerWaalsContact C-N 3.29Å; S461-S463 PolarHBondContact O-N 2.86Å; S461-S464 PolarHBondContact O-N 3.31Å; S461-S464 VanDerWaalsContact O-N 3.16Å; S461-S464 PolarHBondContact O-OG 2.94Å; S461-M465 WeakPolarHBondContact O-CG 3.34Å; S461-M465 PolarHBondContact O-N 3.4Å; S461-K655 PolarHBondContact OG-NZ 3.2Å
462	L	87.2	Confident	86.7	Confident	4 Å²	4	58.8 Å²	58.8	2%	0.021	31%	0.312	C	S	.	.	H	α-helix	trans	-58.7	-38.8	176.7	-72	168	0	0	0	112.6	L458 S459 S464 M465 L468 I477 A480	L458-L462 HydrophobicContact CD1-CD1 3.96Å; L458-L462 HydrophobicContact CD1-CG 4.11Å; L458-L462 HydrophobicContact CG-CD1 3.96Å; L458-L462 WeakPolarHBondContact O-CB 3.41Å; L458-L462 VanDerWaalsContact O-CG 3.25Å; L458-L462 WeakPolarHBondContact O-CG 3.35Å; L458-L462 PolarHBondContact O-N 3.02Å; S459-L462 PolarHBondContact O-N 2.93Å; L462-S464 VanDerWaalsContact C-N 3.33Å; L462-S464 PolarHBondContact O-N 3.27Å; L462-M465 HydrophobicContact CD2-CE 4.1Å; L462-M465 HydrophobicContact CD2-SD 4.12Å; L462-M465 PolarHBondContact O-N 2.62Å; L462-L468 HydrophobicContact CD2-CD1 4.21Å; L462-I477 HydrophobicContact CB-CG1 3.98Å; L462-I477 HydrophobicContact CD1-CG1 4.35Å; L462-A480 HydrophobicContact CD1-CB 4.29Å
463	S	87.5	Confident	86.2	Confident	57 Å²	57	55.3 Å²	55.3	40%	0.399	30%	0.295	S	S	.	.	H	α-helix	trans	-66	-36.7	178.2	-60.1	0	0	0	0	112.3	S459 D460 S461 M465 K473 I477	S459-S463 WeakPolarHBondContact O-CB 3.44Å; S459-S463 PolarHBondContact O-N 3.32Å; S459-S463 PolarHBondContact O-OG 3.26Å; D460-S463 PolarHBondContact O-N 2.74Å; S461-S463 VanDerWaalsContact C-N 3.29Å; S461-S463 PolarHBondContact O-N 2.86Å; S463-M465 VanDerWaalsContact C-N 3.34Å; S463-K473 PolarHBondContact O-NZ 3.08Å; S463-I477 WeakPolarHBondContact OG-CD1 2.89Å
464	S	84.7	Confident	85.7	Confident	79 Å²	79	58.5 Å²	58.5	55%	0.552	31%	0.308	S	S	*	.	H	α-helix	trans	-76.2	-15.8	-177.9	74.2	0	0	0	0	114.6	D460 S461 L462 S466	D460-S464 PolarHBondContact O-N 3.22Å; S461-S464 PolarHBondContact O-N 3.31Å; S461-S464 VanDerWaalsContact O-N 3.16Å; S461-S464 PolarHBondContact O-OG 2.94Å; L462-S464 VanDerWaalsContact C-N 3.33Å; L462-S464 PolarHBondContact O-N 3.27Å; S464-S466 PolarHBondContact O-N 2.84Å
465	M	78.3	Confident	85.2	Confident	15 Å²	15	63.7 Å²	63.7	7%	0.074	34%	0.336	C	S	.	.			trans	-67	121.4	-176.9	-72.4	171.6	-157.8	0	0	111.4	S461 L462 S463 W467 L468 K473 W732	S461-M465 WeakPolarHBondContact O-CG 3.34Å; S461-M465 PolarHBondContact O-N 3.4Å; L462-M465 HydrophobicContact CD2-CE 4.1Å; L462-M465 HydrophobicContact CD2-SD 4.12Å; L462-M465 PolarHBondContact O-N 2.62Å; S463-M465 VanDerWaalsContact C-N 3.34Å; M465-W467 VanDerWaalsContact C-N 3.35Å; M465-W467 HydrophobicContact SD-CZ2 3.8Å; M465-L468 HydrophobicContact CB-CD1 4.11Å; M465-L468 HydrophobicContact CB-CG 4.36Å; M465-L468 HydrophobicContact SD-CD1 3.8Å; M465-K473 WeakPolarHBondContact O-CE 3.18Å; M465-K473 PolarHBondContact O-NZ 3.12Å; M465-W732 HydrophobicContact CE-CB 4.12Å; M465-W732 HydrophobicContact CE-CD2 3.74Å; M465-W732 VanDerWaalsContact CE-CE2 3.5Å; M465-W732 HydrophobicContact CE-CG 3.43Å; M465-W732 VanDerWaalsContact CE-CG 3.43Å; M465-W732 HydrophobicContact CE-CZ2 4.18Å; M465-W732 HydrophobicContact SD-CG 4.46Å
466	S	73.6	Confident	84.7	Confident	111 Å²	111	64.5 Å²	64.5	78%	0.776	34%	0.338	S	S	*	.	S	Bend	trans	-76	-21.3	-177.2	54.1	0	0	0	0	113.9	S464	S464-S466 PolarHBondContact O-N 2.84Å
467	W	71.5	Confident	84.5	Confident	103 Å²	103	62.5 Å²	62.5	39%	0.39	33%	0.325	S	S	.	.	S	Bend	trans	-89.2	-24	-174.1	60.5	-96	0	0	0	113.9	M465 D618	M465-W467 VanDerWaalsContact C-N 3.35Å; M465-W467 HydrophobicContact SD-CZ2 3.8Å; W467-D618 HydrophobicContact CH2-CB 3.62Å; W467-D618 VanDerWaalsContact CH2-OD2 3.25Å; W467-D618 WeakPolarHBondContact CH2-OD2 3.33Å; W467-D618 HydrophobicContact CZ2-CB 4.01Å; W467-D618 WeakPolarHBondContact CZ2-OD2 3.48Å; W467-D618 HydrophobicContact CZ3-CB 3.95Å; W467-D618 VanDerWaalsContact CZ3-OD2 3.26Å; W467-D618 WeakPolarHBondContact CZ3-OD2 3.35Å
468	L	72.9	Confident	84.2	Confident	6 Å²	6	65.5 Å²	65.5	3%	0.031	34%	0.34	C	S	.	.	S	Bend	trans	-72	131.8	175.4	-75.9	172.9	0	0	0	110.5	L462 M465 E472 K473 Y476	L462-L468 HydrophobicContact CD2-CD1 4.21Å; M465-L468 HydrophobicContact CB-CD1 4.11Å; M465-L468 HydrophobicContact CB-CG 4.36Å; M465-L468 HydrophobicContact SD-CD1 3.8Å; L468-E472 HydrophobicContact CD2-CB 4.09Å; L468-K473 HydrophobicContact CB-CD 4.36Å; L468-K473 HydrophobicContact CB-CG 3.43Å; L468-K473 VanDerWaalsContact CB-CG 3.43Å; L468-K473 HydrophobicContact CD1-CG 4.13Å; L468-K473 HydrophobicContact CG-CG 4.43Å; L468-K473 VanDerWaalsContact O-CE 3.23Å; L468-K473 WeakPolarHBondContact O-CE 3.35Å; L468-Y476 HydrophobicContact CD1-CD2 4.12Å; L468-Y476 HydrophobicContact CD2-CD2 3.93Å; L468-Y476 HydrophobicContact CD2-CE2 3.64Å
469	K	80.6	Confident	83.9	Confident	154 Å²	154	66.2 Å²	66.2	67%	0.67	34%	0.344	S	S	*	.			trans	-65.2	148.6	168.8	-65	176.2	-174.8	169.1	0	109.4	D471 E472 K473	K469-D471 PolarHBondContact O-N 2.81Å; K469-D471 VanDerWaalsContact O-N 3.15Å; K469-E472 HydrophobicContact CB-CG 4.27Å; K469-E472 PolarHBondContact N-OE2 2.8Å; K469-E472 WeakPolarHBondContact O-CA 3.46Å; K469-E472 WeakPolarHBondContact O-CB 3.06Å; K469-E472 PolarHBondContact O-N 2.62Å; K469-K473 PolarHBondContact O-N 3.12Å
470	E	84	Confident	83.7	Confident	134 Å²	134	65.7 Å²	65.7	63%	0.626	34%	0.34	S	S	*	.	H	α-helix	trans	-55.2	-36.8	-177.3	-69.4	-58.6	135.1	0	0	113.5	K473 K474	E470-K473 IonicContact OE1-NZ 2.9Å; E470-K473 PolarHBondContact OE1-NZ 3.2Å; E470-K474 WeakPolarHBondContact O-CB 3.43Å; E470-K474 PolarHBondContact O-N 3.17Å
471	D	83.7	Confident	83.5	Confident	129 Å²	129	64.7 Å²	64.7	69%	0.69	34%	0.335	S	S	*	.	H	α-helix	trans	-66.5	-38.1	174.7	-67.8	-32.7	0	0	0	112.4	K469 K474 N475	K469-D471 PolarHBondContact O-N 2.81Å; K469-D471 VanDerWaalsContact O-N 3.15Å; D471-K474 PolarHBondContact O-N 3.1Å; D471-N475 VanDerWaalsContact O-CG 3.27Å; D471-N475 PolarHBondContact O-N 3.34Å; D471-N475 VanDerWaalsContact O-N 3.11Å; D471-N475 PolarHBondContact O-ND2 3.23Å
472	E	81.1	Confident	83.5	Confident	53 Å²	53	66 Å²	66	25%	0.248	34%	0.344	C	S	.	.	H	α-helix	trans	-70.9	-42	177.3	-63.8	-175.6	122.1	0	0	111.5	L468 K469 K474 N475 Y476 K599	L468-E472 HydrophobicContact CD2-CB 4.09Å; K469-E472 HydrophobicContact CB-CG 4.27Å; K469-E472 PolarHBondContact N-OE2 2.8Å; K469-E472 WeakPolarHBondContact O-CA 3.46Å; K469-E472 WeakPolarHBondContact O-CB 3.06Å; K469-E472 PolarHBondContact O-N 2.62Å; E472-K474 VanDerWaalsContact C-N 3.29Å; E472-K474 PolarHBondContact O-N 3.02Å; E472-N475 PolarHBondContact O-N 2.67Å; E472-N475 VanDerWaalsContact O-N 3.15Å; E472-Y476 HydrophobicContact CB-CE2 4.43Å; E472-Y476 WeakPolarHBondContact O-CD2 3.17Å; E472-Y476 PolarHBondContact O-N 3.04Å; E472-K599 IonicContact OE1-NZ 3.15Å; E472-K599 PolarHBondContact OE1-NZ 3.13Å
473	K	85.1	Confident	83.7	Confident	22 Å²	22	65.9 Å²	65.9	10%	0.096	34%	0.343	C	S	.	.	H	α-helix	trans	-53.3	-50.3	172.2	-68.9	-176.3	-177.9	173.6	0	110.5	S463 M465 L468 K469 E470 N475 Y476 I477	S463-K473 PolarHBondContact O-NZ 3.08Å; M465-K473 WeakPolarHBondContact O-CE 3.18Å; M465-K473 PolarHBondContact O-NZ 3.12Å; L468-K473 HydrophobicContact CB-CD 4.36Å; L468-K473 HydrophobicContact CB-CG 3.43Å; L468-K473 VanDerWaalsContact CB-CG 3.43Å; L468-K473 HydrophobicContact CD1-CG 4.13Å; L468-K473 HydrophobicContact CG-CG 4.43Å; L468-K473 VanDerWaalsContact O-CE 3.23Å; L468-K473 WeakPolarHBondContact O-CE 3.35Å; K469-K473 PolarHBondContact O-N 3.12Å; E470-K473 IonicContact OE1-NZ 2.9Å; E470-K473 PolarHBondContact OE1-NZ 3.2Å; K473-N475 VanDerWaalsContact C-N 3.29Å; K473-N475 PolarHBondContact O-N 3.11Å; K473-Y476 PolarHBondContact O-N 3.21Å; K473-I477 HydrophobicContact CB-CD1 4.35Å; K473-I477 WeakPolarHBondContact O-CB 3.37Å; K473-I477 WeakPolarHBondContact O-CD1 3.43Å; K473-I477 WeakPolarHBondContact O-CG1 3.35Å; K473-I477 PolarHBondContact O-N 2.67Å
474	K	87.1	Confident	83.9	Confident	132 Å²	132	68.4 Å²	68.4	57%	0.574	35%	0.349	S	S	*	.	H	α-helix	trans	-59.5	-40.6	-179.8	-168	178.2	-178.4	-179.5	0	111.8	E470 D471 E472 N478	E470-K474 WeakPolarHBondContact O-CB 3.43Å; E470-K474 PolarHBondContact O-N 3.17Å; D471-K474 PolarHBondContact O-N 3.1Å; E472-K474 VanDerWaalsContact C-N 3.29Å; E472-K474 PolarHBondContact O-N 3.02Å; K474-N478 VanDerWaalsContact O-CB 3.29Å; K474-N478 WeakPolarHBondContact O-CB 3.46Å; K474-N478 PolarHBondContact O-N 3.45Å; K474-N478 PolarHBondContact O-ND2 3.38Å
475	N	85.3	Confident	84.3	Confident	109 Å²	109	65.6 Å²	65.6	58%	0.583	33%	0.327	S	S	*	.	H	α-helix	trans	-65.5	-46.4	177.2	-70.5	-18	0	0	0	112.3	D471 E472 K473 N478 L479	D471-N475 VanDerWaalsContact O-CG 3.27Å; D471-N475 PolarHBondContact O-N 3.34Å; D471-N475 VanDerWaalsContact O-N 3.11Å; D471-N475 PolarHBondContact O-ND2 3.23Å; E472-N475 PolarHBondContact O-N 2.67Å; E472-N475 VanDerWaalsContact O-N 3.15Å; K473-N475 VanDerWaalsContact C-N 3.29Å; K473-N475 PolarHBondContact O-N 3.11Å; N475-N478 PolarHBondContact O-N 2.98Å; N475-L479 WeakPolarHBondContact O-CB 3.32Å; N475-L479 PolarHBondContact O-N 3.18Å
476	Y	84.5	Confident	84.9	Confident	30 Å²	30	66.7 Å²	66.7	12%	0.118	34%	0.337	C	S	.	.	H	α-helix	trans	-66.2	-38.8	177.7	-72.4	-60.8	0	0	0	112.6	L468 E472 K473 L479 A480 V595 K599	L468-Y476 HydrophobicContact CD1-CD2 4.12Å; L468-Y476 HydrophobicContact CD2-CD2 3.93Å; L468-Y476 HydrophobicContact CD2-CE2 3.64Å; E472-Y476 HydrophobicContact CB-CE2 4.43Å; E472-Y476 WeakPolarHBondContact O-CD2 3.17Å; E472-Y476 PolarHBondContact O-N 3.04Å; K473-Y476 PolarHBondContact O-N 3.21Å; Y476-L479 PolarHBondContact O-N 3.07Å; Y476-A480 WeakPolarHBondContact O-CB 3.31Å; Y476-A480 PolarHBondContact O-N 3.22Å; Y476-V595 HydrophobicContact CD1-CG1 3.9Å; Y476-V595 HydrophobicContact CE1-CG1 4.33Å; Y476-V595 WeakPolarHBondContact CE1-O 3.1Å; Y476-K599 VanDerWaalsContact OH-CE 3.29Å; Y476-K599 WeakPolarHBondContact OH-CE 3.45Å
477	I	88.2	Confident	85.7	Confident	33 Å²	33	62 Å²	62	17%	0.169	30%	0.302	C	S	.	.	H	α-helix	trans	-65.3	-43.2	175.5	-68.2	163.2	0	0	0	110.5	L462 S463 K473 L479 A480 N481	L462-I477 HydrophobicContact CB-CG1 3.98Å; L462-I477 HydrophobicContact CD1-CG1 4.35Å; S463-I477 WeakPolarHBondContact OG-CD1 2.89Å; K473-I477 HydrophobicContact CB-CD1 4.35Å; K473-I477 WeakPolarHBondContact O-CB 3.37Å; K473-I477 WeakPolarHBondContact O-CD1 3.43Å; K473-I477 WeakPolarHBondContact O-CG1 3.35Å; K473-I477 PolarHBondContact O-N 2.67Å; I477-L479 VanDerWaalsContact C-N 3.33Å; I477-L479 PolarHBondContact O-N 2.76Å; I477-A480 PolarHBondContact O-N 2.75Å; I477-N481 WeakPolarHBondContact CG2-ND2 3.35Å; I477-N481 WeakPolarHBondContact O-CB 3.2Å; I477-N481 VanDerWaalsContact O-CG 3.29Å; I477-N481 PolarHBondContact O-N 3.07Å; I477-N481 PolarHBondContact O-ND2 3.38Å; I477-N481 VanDerWaalsContact O-ND2 3.08Å
478	N	88	Confident	86.3	Confident	88 Å²	88	57.1 Å²	57.1	47%	0.471	28%	0.284	S	S	.	.	H	α-helix	trans	-62.4	-41.2	176.2	-73.6	-19.4	0	0	0	111.9	K474 N475 N481 S482	K474-N478 VanDerWaalsContact O-CB 3.29Å; K474-N478 WeakPolarHBondContact O-CB 3.46Å; K474-N478 PolarHBondContact O-N 3.45Å; K474-N478 PolarHBondContact O-ND2 3.38Å; N475-N478 PolarHBondContact O-N 2.98Å; N478-N481 PolarHBondContact O-N 3.48Å; N478-S482 PolarHBondContact O-N 3.03Å
479	L	86.1	Confident	86.9	Confident	15 Å²	15	57.7 Å²	57.7	8%	0.079	29%	0.288	C	S	.	.	H	α-helix	trans	-63	-48.9	174	176	72.2	0	0	0	111.6	N475 Y476 I477 N481 S482 F483 K556 V595 N598	N475-L479 WeakPolarHBondContact O-CB 3.32Å; N475-L479 PolarHBondContact O-N 3.18Å; Y476-L479 PolarHBondContact O-N 3.07Å; I477-L479 VanDerWaalsContact C-N 3.33Å; I477-L479 PolarHBondContact O-N 2.76Å; L479-N481 PolarHBondContact O-N 3.21Å; L479-S482 PolarHBondContact O-N 3.38Å; L479-S482 VanDerWaalsContact O-N 3.15Å; L479-S482 PolarHBondContact O-OG 3.16Å; L479-F483 HydrophobicContact CD1-CE2 4.38Å; L479-F483 HydrophobicContact CG-CE2 4.07Å; L479-F483 WeakPolarHBondContact O-CD2 3.11Å; L479-F483 WeakPolarHBondContact O-CE2 3.27Å; L479-K556 HydrophobicContact CD1-CD 4.3Å; L479-V595 HydrophobicContact CD2-CG2 4.12Å; L479-N598 VanDerWaalsContact CD1-ND2 3.32Å; L479-N598 WeakPolarHBondContact CD1-ND2 3.09Å; L479-N598 HydrophobicContact CD2-CB 4.29Å; L479-N598 WeakPolarHBondContact CD2-ND2 3.36Å
480	A	87.9	Confident	86.8	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-57.1	-39.7	177.8	0	0	0	0	0	111.1	K455 L458 L462 Y476 I477	K455-A480 VanDerWaalsContact CE-O 3.29Å; K455-A480 WeakPolarHBondContact CE-O 3.42Å; L458-A480 HydrophobicContact CD2-CB 3.7Å; L458-A480 HydrophobicContact CG-CB 4.07Å; L462-A480 HydrophobicContact CD1-CB 4.29Å; Y476-A480 WeakPolarHBondContact O-CB 3.31Å; Y476-A480 PolarHBondContact O-N 3.22Å; I477-A480 PolarHBondContact O-N 2.75Å
481	N	88.4	Confident	86.3	Confident	80 Å²	80	53.5 Å²	53.5	43%	0.428	27%	0.27	S	S	.	.	H	α-helix	trans	-76.5	-23	179.3	-73	-35.2	0	0	0	114.3	K455 S459 I477 N478 L479 F483	K455-N481 PolarHBondContact NZ-O 2.94Å; S459-N481 PolarHBondContact OG-OD1 2.95Å; I477-N481 WeakPolarHBondContact CG2-ND2 3.35Å; I477-N481 WeakPolarHBondContact O-CB 3.2Å; I477-N481 VanDerWaalsContact O-CG 3.29Å; I477-N481 PolarHBondContact O-N 3.07Å; I477-N481 PolarHBondContact O-ND2 3.38Å; I477-N481 VanDerWaalsContact O-ND2 3.08Å; N478-N481 PolarHBondContact O-N 3.48Å; L479-N481 PolarHBondContact O-N 3.21Å; N481-F483 VanDerWaalsContact C-N 3.28Å; N481-F483 PolarHBondContact O-N 2.92Å
482	S	88.4	Confident	85.3	Confident	33 Å²	33	49.9 Å²	49.9	23%	0.231	26%	0.255	C	S	.	.	H	α-helix	trans	-76.3	-15.8	178.4	75.2	0	0	0	0	113.4	N478 L479 Q484	N478-S482 PolarHBondContact O-N 3.03Å; L479-S482 PolarHBondContact O-N 3.38Å; L479-S482 VanDerWaalsContact O-N 3.15Å; L479-S482 PolarHBondContact O-OG 3.16Å; S482-Q484 PolarHBondContact O-N 2.87Å
483	F	90.9	Very high	84.4	Confident	1 Å²	1	49.9 Å²	49.9	0%	0.004	26%	0.257	C	S	.	.			trans	-61.9	137.8	174.8	-75.4	-76.1	0	0	0	111.9	F451 K455 L479 N481 K556 I558 L591 E594	F451-F483 HydrophobicContact CE2-CB 4.31Å; F451-F483 HydrophobicContact CZ-CB 3.88Å; F451-F483 WeakPolarHBondContact CZ-O 3.01Å; K455-F483 HydrophobicContact CD-CB 4.49Å; K455-F483 PolarHBondContact NZ-O 2.77Å; L479-F483 HydrophobicContact CD1-CE2 4.38Å; L479-F483 HydrophobicContact CG-CE2 4.07Å; L479-F483 WeakPolarHBondContact O-CD2 3.11Å; L479-F483 WeakPolarHBondContact O-CE2 3.27Å; N481-F483 VanDerWaalsContact C-N 3.28Å; N481-F483 PolarHBondContact O-N 2.92Å; F483-K556 WeakPolarHBondContact CA-O 3.32Å; F483-K556 HydrophobicContact CD1-CB 3.6Å; F483-K556 HydrophobicContact CE1-CB 3.34Å; F483-K556 HydrophobicContact CE1-CD 3.67Å; F483-K556 HydrophobicContact CE1-CG 4.12Å; F483-K556 HydrophobicContact CZ-CB 4.13Å; F483-K556 HydrophobicContact CZ-CD 3.68Å; F483-I558 HydrophobicContact CD1-CD1 4.08Å; F483-I558 HydrophobicContact CD1-CG1 3.97Å; F483-I558 HydrophobicContact CG-CD1 4.49Å; F483-L591 HydrophobicContact CB-CD2 4.06Å; F483-L591 HydrophobicContact CD1-CD2 4.49Å; F483-L591 HydrophobicContact CD2-CD2 3.67Å; F483-L591 HydrophobicContact CE2-CD2 4.29Å; F483-L591 HydrophobicContact CG-CD2 3.81Å; F483-E594 HydrophobicContact CE1-CB 4.12Å; F483-E594 HydrophobicContact CE1-CG 3.9Å; F483-E594 HydrophobicContact CE2-CB 4.27Å; F483-E594 HydrophobicContact CZ-CB 3.38Å; F483-E594 HydrophobicContact CZ-CG 3.69Å
484	Q	92	Very high	83.2	Confident	110 Å²	110	51.6 Å²	51.6	51%	0.514	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	156.8	167.8	-64.9	179.1	9.7	0	0	109.7	S482 K556 L557 I558	S482-Q484 PolarHBondContact O-N 2.87Å; Q484-K556 PolarHBondContact N-O 3.35Å; Q484-L557 HydrophobicContact CB-CD1 3.58Å; Q484-I558 PolarHBondContact O-N 2.76Å
485	L	92.9	Very high	81.8	Confident	20 Å²	20	46.8 Å²	46.8	11%	0.105	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	134.3	172.6	-169	76.5	0	0	0	109.7	V447 L448 F451 I558 I560	V447-L485 HydrophobicContact CG1-CD2 3.76Å; L448-L485 HydrophobicContact CD2-CB 4.06Å; L448-L485 HydrophobicContact CD2-CD2 3.95Å; L448-L485 HydrophobicContact CD2-CG 4.41Å; F451-L485 HydrophobicContact CB-CB 4.42Å; F451-L485 HydrophobicContact CB-CD2 3.93Å; F451-L485 HydrophobicContact CD1-CB 3.67Å; F451-L485 HydrophobicContact CD2-CB 4.15Å; F451-L485 HydrophobicContact CD2-CD1 4.3Å; F451-L485 HydrophobicContact CE1-CB 3.83Å; F451-L485 HydrophobicContact CE2-CB 4.32Å; F451-L485 HydrophobicContact CG-CB 3.81Å; F451-L485 HydrophobicContact CG-CD2 4.22Å; F451-L485 HydrophobicContact CG-CG 4.41Å; F451-L485 HydrophobicContact CZ-CB 4.13Å; L485-I558 CarbonylContact C-O 3.45Å; L485-I558 WeakPolarHBondContact CA-O 3.23Å; L485-I558 HydrophobicContact CD1-CB 3.88Å; L485-I558 HydrophobicContact CD1-CG2 3.7Å; L485-I560 HydrophobicContact CD1-CD1 3.72Å; L485-I560 HydrophobicContact CD1-CG1 3.93Å; L485-I560 HydrophobicContact CD2-CD1 4.4Å
486	S	90.3	Very high	80.6	Confident	38 Å²	38	48.6 Å²	48.6	27%	0.266	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	142.9	168.4	173.2	0	0	0	0	110.1	I558 K559 I560	S486-I558 PolarHBondContact N-O 3.01Å; S486-K559 WeakPolarHBondContact O-CA 3.5Å; S486-I560 PolarHBondContact O-N 2.63Å
487	I	89.9	Confident	79.8	Confident	12 Å²	12	51.6 Å²	51.6	6%	0.062	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	124.6	176.3	-57.5	175.7	0	0	0	109.2	I439 E444 V447 T489 S492 I560 L565	I439-I487 HydrophobicContact CD1-CB 4.48Å; I439-I487 HydrophobicContact CD1-CD1 3.56Å; I439-I487 HydrophobicContact CD1-CG2 3.81Å; E444-I487 HydrophobicContact CB-CD1 4.34Å; E444-I487 HydrophobicContact CG-CD1 4Å; V447-I487 HydrophobicContact CG1-CD1 4.37Å; I487-T489 HydrophobicContact CG2-CG2 4Å; I487-S492 PolarHBondContact O-OG 3.29Å; I487-I560 CarbonylContact C-O 3.56Å; I487-I560 VanDerWaalsContact CA-O 3.3Å; I487-I560 WeakPolarHBondContact CA-O 3.48Å; I487-L565 HydrophobicContact CD1-CD1 3.74Å; I487-L565 HydrophobicContact CG1-CD1 4.14Å; I487-L565 HydrophobicContact CG2-CD1 3.84Å
488	I	85.1	Confident	78.8	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	113.3	175	-60	172.2	0	0	0	108.1	E539 P540 A542 Y548 K559 I560 A562	I488-E539 HydrophobicContact CD1-CG 3.57Å; I488-E539 HydrophobicContact CG1-CG 4.01Å; I488-E539 HydrophobicContact CG2-CG 4.38Å; I488-P540 HydrophobicContact CD1-CG 4.12Å; I488-A542 HydrophobicContact CG2-CB 4.4Å; I488-Y548 HydrophobicContact CD1-CE1 3.74Å; I488-K559 HydrophobicContact CD1-CB 3.86Å; I488-K559 HydrophobicContact CD1-CD 4.26Å; I488-K559 HydrophobicContact CG1-CB 4.23Å; I488-I560 PolarHBondContact N-O 3.3Å; I488-A562 WeakPolarHBondContact O-CB 3.28Å; I488-A562 PolarHBondContact O-N 3.08Å
489	T	85.9	Confident	78	Confident	19 Å²	19	46.3 Å²	46.3	12%	0.117	25%	0.251	C	S	.	.			trans	-120.7	167	173.3	72.6	0	0	0	0	109.3	S437 I439 I487 K491 S492 R498 A562	S437-T489 CarbonylContact O-C 3.37Å; S437-T489 WeakPolarHBondContact O-CA 3.38Å; S437-T489 WeakPolarHBondContact O-CB 3.23Å; I439-T489 HydrophobicContact CG1-CG2 4.43Å; I487-T489 HydrophobicContact CG2-CG2 4Å; T489-K491 PolarHBondContact O-N 3.44Å; T489-K491 PolarHBondContact OG1-N 3.03Å; T489-K491 VanDerWaalsContact OG1-N 3.13Å; T489-S492 PolarHBondContact N-OG 2.88Å; T489-S492 PolarHBondContact O-N 2.95Å; T489-S492 PolarHBondContact OG1-N 3.35Å; T489-S492 VanDerWaalsContact OG1-N 3.1Å; T489-S492 PolarHBondContact OG1-OG 3Å; T489-R498 PolarHBondContact O-NH1 3.23Å; T489-A562 HydrophobicContact CG2-CB 4.31Å
490	S	77.3	Confident	77.2	Confident	22 Å²	22	48.9 Å²	48.9	15%	0.154	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-18.1	170.1	51.3	0	0	0	0	113.7	E431 S437	E431-S490 WeakPolarHBondContact OE1-CA 3.01Å; S437-S490 PolarHBondContact O-N 2.58Å; S437-S490 PolarHBondContact O-OG 3.27Å; S437-S490 VanDerWaalsContact OG-CB 3.23Å; S437-S490 WeakPolarHBondContact OG-CB 3.34Å; S437-S490 PolarHBondContact OG-OG 2.89Å
491	K	73.6	Confident	76.3	Confident	178 Å²	178	52.2 Å²	52.2	77%	0.774	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-13.4	177.3	-63	-178.8	-179.3	175.2	0	114.2	T489 L493	T489-K491 PolarHBondContact O-N 3.44Å; T489-K491 PolarHBondContact OG1-N 3.03Å; T489-K491 VanDerWaalsContact OG1-N 3.13Å; K491-L493 PolarHBondContact O-N 3.3Å
492	S	64.4	Low	75.9	Confident	53 Å²	53	48.5 Å²	48.5	37%	0.371	26%	0.262	S	S	.	.	S	Bend	trans	-66.1	-22.9	-172.4	-59.3	0	0	0	0	112.9	I487 T489	I487-S492 PolarHBondContact O-OG 3.29Å; T489-S492 PolarHBondContact N-OG 2.88Å; T489-S492 PolarHBondContact O-N 2.95Å; T489-S492 PolarHBondContact OG1-N 3.35Å; T489-S492 VanDerWaalsContact OG1-N 3.1Å; T489-S492 PolarHBondContact OG1-OG 3Å
493	L	60.5	Low	75.7	Confident	53 Å²	53	47.6 Å²	47.6	28%	0.277	25%	0.254	S	S	.	.	S	Bend	trans	-125.9	152.3	168	-71.7	167.2	0	0	0	108	K491 A495 R498 E539	K491-L493 PolarHBondContact O-N 3.3Å; L493-A495 PolarHBondContact O-N 2.78Å; L493-R498 HydrophobicContact CB-CG 3.62Å; L493-R498 HydrophobicContact CD1-CG 3.87Å; L493-R498 HydrophobicContact CG-CG 4.41Å; L493-E539 HydrophobicContact CD1-CB 4.16Å; L493-E539 HydrophobicContact CD1-CG 4.4Å; L493-E539 WeakPolarHBondContact CD1-OE1 3.43Å
494	S	59.8	Low	75.7	Confident	58 Å²	58	47.5 Å²	47.5	41%	0.406	25%	0.254	S	S	.	.			trans	-56.2	129.4	172.5	85.4	0	0	0	0	107.8	E496 D497 R498	S494-E496 PolarHBondContact O-N 3.12Å; S494-D497 PolarHBondContact O-N 2.82Å; S494-D497 WeakPolarHBondContact OG-CB 3.29Å; S494-D497 PolarHBondContact OG-N 3.06Å; S494-D497 PolarHBondContact OG-OD2 3.46Å; S494-R498 PolarHBondContact O-N 3.43Å
495	A	57.6	Low	75.5	Confident	30 Å²	30	44.6 Å²	44.6	25%	0.248	24%	0.24	C	C	.	.	H	α-helix	trans	-53.1	-33.7	-179.6	0	0	0	0	0	110.5	R182 K432 L493 D497 R498 E499	R182-A495 PolarHBondContact NH1-O 2.76Å; K432-A495 HydrophobicContact CD-CB 4.32Å; L493-A495 PolarHBondContact O-N 2.78Å; A495-D497 PolarHBondContact O-N 3.16Å; A495-R498 PolarHBondContact O-N 3.27Å; A495-E499 WeakPolarHBondContact O-CG 3.48Å; A495-E499 PolarHBondContact O-N 2.98Å
496	E	61	Low	75.3	Confident	147 Å²	147	46.7 Å²	46.7	69%	0.687	25%	0.254	S	S	*	.	H	α-helix	trans	-57	-48.1	175.4	-75.5	178.4	-173.5	0	0	113.2	R182 S494 S500	R182-E496 VanDerWaalsContact NH1-CA 3.3Å; R182-E496 PolarHBondContact NH1-O 3.26Å; R182-E496 PolarHBondContact NH2-O 2.94Å; R182-E496 VanDerWaalsContact NH2-O 3.16Å; S494-E496 PolarHBondContact O-N 3.12Å; E496-S500 WeakPolarHBondContact O-CB 3.42Å; E496-S500 PolarHBondContact O-N 3.4Å
497	D	67.4	Low	75.3	Confident	93 Å²	93	46.2 Å²	46.2	50%	0.497	25%	0.248	S	C	.	.	H	α-helix	trans	-65.2	-39.5	179.4	-68.6	-39.7	0	0	0	112.1	S494 A495 S500	S494-D497 PolarHBondContact O-N 2.82Å; S494-D497 WeakPolarHBondContact OG-CB 3.29Å; S494-D497 PolarHBondContact OG-N 3.06Å; S494-D497 PolarHBondContact OG-OD2 3.46Å; A495-D497 PolarHBondContact O-N 3.16Å; D497-S500 PolarHBondContact O-OG 3.25Å
498	R	68.1	Low	75.4	Confident	6 Å²	6	54.3 Å²	54.3	2%	0.023	29%	0.286	C	S	.	.	H	α-helix	trans	-69.9	-54.2	-179.2	-68.1	-172.5	121.4	-179.8	-8.3	112	W428 E431 T489 L493 S494 A495 S500 R501 E539 P540	W428-R498 HydrophobicContact CD2-CB 4.29Å; W428-R498 HydrophobicContact CE3-CB 4.18Å; W428-R498 HydrophobicContact CG-CB 4.42Å; W428-R498 VanDerWaalsContact CZ3-CZ 3.48Å; E431-R498 IonicContact OE1-CZ 2.66Å; E431-R498 IonicContact OE1-NH1 2.87Å; E431-R498 PolarHBondContact OE1-NH1 3.17Å; T489-R498 PolarHBondContact O-NH1 3.23Å; L493-R498 HydrophobicContact CB-CG 3.62Å; L493-R498 HydrophobicContact CD1-CG 3.87Å; L493-R498 HydrophobicContact CG-CG 4.41Å; S494-R498 PolarHBondContact O-N 3.43Å; A495-R498 PolarHBondContact O-N 3.27Å; R498-S500 PolarHBondContact O-N 3.46Å; R498-R501 VanDerWaalsContact O-CB 3.29Å; R498-R501 WeakPolarHBondContact O-CB 3.39Å; R498-R501 PolarHBondContact O-N 2.89Å; R498-E539 IonicContact CZ-OE1 2.73Å; R498-E539 IonicContact NH2-OE1 3.41Å; R498-P540 PolarHBondContact NH2-O 3.45Å
499	E	71	Confident	75.9	Confident	5 Å²	5	54.6 Å²	54.6	2%	0.023	29%	0.287	C	S	.	.	H	α-helix	trans	-73.2	-14.9	-178.2	-24.2	150.6	108.9	0	0	111.2	R182 W428 T429 A495 R501 D502 F505	R182-E499 WeakPolarHBondContact CD-OE2 3.44Å; R182-E499 IonicContact CZ-OE2 2.62Å; R182-E499 IonicContact NE-OE2 3.97Å; R182-E499 IonicContact NH1-OE2 3.54Å; R182-E499 PolarHBondContact NH1-OE2 3.1Å; W428-E499 HydrophobicContact CB-CB 4.03Å; W428-E499 HydrophobicContact CB-CG 3.66Å; T429-E499 VanDerWaalsContact CA-OE1 3.25Å; T429-E499 WeakPolarHBondContact CA-OE1 3.38Å; T429-E499 WeakPolarHBondContact CB-OE1 3.35Å; T429-E499 PolarHBondContact OG1-OE1 3.35Å; A495-E499 WeakPolarHBondContact O-CG 3.48Å; A495-E499 PolarHBondContact O-N 2.98Å; E499-R501 PolarHBondContact O-N 2.9Å; E499-R501 VanDerWaalsContact O-N 3.16Å; E499-D502 WeakPolarHBondContact O-CB 3.22Å; E499-D502 PolarHBondContact O-N 3.19Å; E499-F505 HydrophobicContact CB-CE2 3.81Å; E499-F505 VanDerWaalsContact O-CD2 3.28Å; E499-F505 WeakPolarHBondContact O-CD2 3.22Å
500	S	69.4	Low	76.2	Confident	69 Å²	69	56 Å²	56	48%	0.483	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-19.7	168.9	78.4	0	0	0	0	113.4	E496 D497 R498 D502	E496-S500 WeakPolarHBondContact O-CB 3.42Å; E496-S500 PolarHBondContact O-N 3.4Å; D497-S500 PolarHBondContact O-OG 3.25Å; R498-S500 PolarHBondContact O-N 3.46Å; S500-D502 VanDerWaalsContact C-N 3.29Å
501	R	68.8	Low	76.9	Confident	70 Å²	70	58.2 Å²	58.2	26%	0.264	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-11.4	175	-57.1	176.6	-178.8	-130.8	-2.7	112.3	R498 E499 F503 D535	R498-R501 VanDerWaalsContact O-CB 3.29Å; R498-R501 WeakPolarHBondContact O-CB 3.39Å; R498-R501 PolarHBondContact O-N 2.89Å; E499-R501 PolarHBondContact O-N 2.9Å; E499-R501 VanDerWaalsContact O-N 3.16Å; R501-F503 PolarHBondContact O-N 3.13Å; R501-D535 IonicContact CZ-OD2 2.7Å; R501-D535 IonicContact NH1-OD2 2.67Å; R501-D535 PolarHBondContact NH1-OD2 2.83Å; R501-D535 IonicContact NH2-OD2 2.71Å
502	D	78.7	Confident	77.7	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.005	31%	0.305	C	S	.	.			trans	-81.3	97.4	169.4	-74.7	-20.8	0	0	0	109.1	W428 E499 S500 I504 F505 K528	W428-D502 PolarHBondContact NE1-OD1 3.23Å; E499-D502 WeakPolarHBondContact O-CB 3.22Å; E499-D502 PolarHBondContact O-N 3.19Å; S500-D502 VanDerWaalsContact C-N 3.29Å; D502-I504 HydrophobicContact CB-CG2 4.07Å; D502-I504 PolarHBondContact O-N 2.85Å; D502-F505 HydrophobicContact CB-CD2 3.75Å; D502-F505 HydrophobicContact CB-CE2 3.62Å; D502-F505 WeakPolarHBondContact O-CD2 3.48Å; D502-F505 PolarHBondContact O-N 2.66Å; D502-F505 VanDerWaalsContact O-N 3.15Å; D502-K528 WeakPolarHBondContact OD1-CE 3.47Å; D502-K528 IonicContact OD1-NZ 2.63Å; D502-K528 PolarHBondContact OD1-NZ 3.47Å
503	F	85.3	Confident	78.9	Confident	14 Å²	14	56.4 Å²	56.4	6%	0.061	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-59.6	-6	177	-57.1	-72	0	0	0	114.1	L345 R501 F505 T506 T524 L527 K528 Y531	L345-F503 HydrophobicContact CD2-CD1 4.27Å; L345-F503 HydrophobicContact CD2-CE1 3.58Å; L345-F503 HydrophobicContact CD2-CE2 3.86Å; L345-F503 HydrophobicContact CD2-CZ 3.35Å; R501-F503 PolarHBondContact O-N 3.13Å; F503-F505 PolarHBondContact O-N 2.63Å; F503-T506 HydrophobicContact CB-CG2 4.46Å; F503-T506 HydrophobicContact CD1-CG2 4.5Å; F503-T506 WeakPolarHBondContact O-CG2 3.27Å; F503-T506 PolarHBondContact O-N 2.94Å; F503-T506 VanDerWaalsContact O-N 3.13Å; F503-T506 PolarHBondContact O-OG1 3Å; F503-T524 HydrophobicContact CB-CG2 4.13Å; F503-L527 HydrophobicContact CB-CB 4.12Å; F503-L527 HydrophobicContact CB-CD1 3.78Å; F503-L527 HydrophobicContact CD1-CB 4.43Å; F503-L527 HydrophobicContact CD1-CD1 4.35Å; F503-L527 HydrophobicContact CD2-CB 3.48Å; F503-L527 VanDerWaalsContact CD2-CB 3.48Å; F503-L527 HydrophobicContact CE2-CB 3.98Å; F503-L527 HydrophobicContact CG-CB 3.75Å; F503-L527 HydrophobicContact CG-CD1 3.99Å; F503-K528 HydrophobicContact CD2-CG 3.91Å; F503-K528 HydrophobicContact CE2-CG 4.18Å; F503-Y531 HydrophobicContact CE2-CG 4.21Å; F503-Y531 AromaticContact CZ-CD2 3.86Å; F503-Y531 HydrophobicContact CZ-CD2 3.86Å; F503-Y531 AromaticContact CZ-CG 3.9Å; F503-Y531 HydrophobicContact CZ-CG 3.9Å
504	I	90.5	Very high	80.3	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-61.7	-36.4	174.1	-164.2	164.1	0	0	0	110.9	Y189 N425 F426 D502 T506 N507 I509 T524	Y189-I504 HydrophobicContact CD2-CD1 4.18Å; Y189-I504 HydrophobicContact CE2-CD1 4.25Å; N425-I504 HydrophobicContact CB-CD1 3.62Å; F426-I504 HydrophobicContact CD1-CG2 4.42Å; F426-I504 HydrophobicContact CE1-CD1 4.17Å; F426-I504 HydrophobicContact CE1-CG2 4.02Å; F426-I504 HydrophobicContact CE2-CD1 3.99Å; F426-I504 HydrophobicContact CZ-CD1 3.59Å; F426-I504 HydrophobicContact CZ-CG1 4.44Å; D502-I504 HydrophobicContact CB-CG2 4.07Å; D502-I504 PolarHBondContact O-N 2.85Å; I504-T506 PolarHBondContact O-N 3.48Å; I504-T506 VanDerWaalsContact O-N 3.13Å; I504-N507 PolarHBondContact O-N 2.72Å; I504-N507 VanDerWaalsContact O-N 3.13Å; I504-I509 HydrophobicContact CD1-CD1 4.16Å; I504-I509 HydrophobicContact CG1-CD1 3.75Å; I504-I509 HydrophobicContact CG1-CG1 4.31Å; I504-T524 WeakPolarHBondContact CA-OG1 3.42Å; I504-T524 HydrophobicContact CB-CG2 4.19Å; I504-T524 WeakPolarHBondContact CB-OG1 3.48Å; I504-T524 PolarHBondContact N-OG1 3.18Å
505	F	88.9	Confident	81.7	Confident	49 Å²	49	51.5 Å²	51.5	22%	0.215	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-72.9	0.1	178.5	-54.5	-61.7	0	0	0	113.7	R182 F426 E499 D502 F503 N507	R182-F505 HydrophobicContact CB-CD1 4.41Å; R182-F505 HydrophobicContact CB-CE1 3.71Å; R182-F505 HydrophobicContact CB-CE2 4.44Å; R182-F505 HydrophobicContact CB-CZ 3.72Å; R182-F505 HydrophobicContact CG-CD1 4.01Å; R182-F505 HydrophobicContact CG-CD2 4.4Å; R182-F505 HydrophobicContact CG-CE1 3.78Å; R182-F505 HydrophobicContact CG-CE2 4.19Å; R182-F505 HydrophobicContact CG-CG 4.31Å; R182-F505 HydrophobicContact CG-CZ 3.88Å; F426-F505 AromaticContact CD1-CE1 3.98Å; F426-F505 HydrophobicContact CD1-CE1 3.98Å; F426-F505 AromaticContact CD1-CZ 3.86Å; F426-F505 HydrophobicContact CD1-CZ 3.86Å; F426-F505 AromaticContact CE1-CE1 3.84Å; F426-F505 HydrophobicContact CE1-CE1 3.84Å; F426-F505 HydrophobicContact CE1-CZ 4.19Å; E499-F505 HydrophobicContact CB-CE2 3.81Å; E499-F505 VanDerWaalsContact O-CD2 3.28Å; E499-F505 WeakPolarHBondContact O-CD2 3.22Å; D502-F505 HydrophobicContact CB-CD2 3.75Å; D502-F505 HydrophobicContact CB-CE2 3.62Å; D502-F505 WeakPolarHBondContact O-CD2 3.48Å; D502-F505 PolarHBondContact O-N 2.66Å; D502-F505 VanDerWaalsContact O-N 3.15Å; F503-F505 PolarHBondContact O-N 2.63Å; F505-N507 PolarHBondContact O-N 3.38Å
506	T	86.9	Confident	83.4	Confident	64 Å²	64	50.6 Å²	50.6	39%	0.393	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-74.7	-8.5	167.2	74.2	0	0	0	0	112.4	E344 F503 I504	E344-T506 PolarHBondContact OE2-OG1 2.87Å; F503-T506 HydrophobicContact CB-CG2 4.46Å; F503-T506 HydrophobicContact CD1-CG2 4.5Å; F503-T506 WeakPolarHBondContact O-CG2 3.27Å; F503-T506 PolarHBondContact O-N 2.94Å; F503-T506 VanDerWaalsContact O-N 3.13Å; F503-T506 PolarHBondContact O-OG1 3Å; I504-T506 PolarHBondContact O-N 3.48Å; I504-T506 VanDerWaalsContact O-N 3.13Å
507	N	90.5	Very high	85	Confident	28 Å²	28	43.7 Å²	43.7	15%	0.15	23%	0.228	C	C	.	.	S	Bend	trans	-129	149.4	-179.7	-41.9	-92.1	0	0	0	109	I504 F505 Y520 K523	I504-N507 PolarHBondContact O-N 2.72Å; I504-N507 VanDerWaalsContact O-N 3.13Å; F505-N507 PolarHBondContact O-N 3.38Å; N507-Y520 HydrophobicContact CB-CD1 3.71Å; N507-Y520 HydrophobicContact CB-CD2 3.59Å; N507-Y520 HydrophobicContact CB-CE1 3.73Å; N507-Y520 HydrophobicContact CB-CE2 3.58Å; N507-Y520 HydrophobicContact CB-CG 3.65Å; N507-Y520 VanDerWaalsContact CG-CD1 3.5Å; N507-K523 PolarHBondContact OD1-NZ 3.1Å; N507-K523 VanDerWaalsContact OD1-NZ 3.13Å
508	E	92.6	Very high	86.2	Confident	182 Å²	182	39.4 Å²	39.4	85%	0.85	21%	0.205	S	C	*	.	P	Polyproline II helix	trans	-78.3	126.2	176.7	-173.4	176	-177.9	0	0	109.9
509	I	94.7	Very high	87.4	Confident	5 Å²	5	39.8 Å²	39.8	3%	0.026	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-94.3	116.7	-179.2	-55.4	-54.7	0	0	0	109.5	S185 N188 Y189 I504 Y520	S185-I509 WeakPolarHBondContact O-CG2 3.31Å; N188-I509 HydrophobicContact CB-CG2 4.08Å; N188-I509 PolarHBondContact ND2-O 3.25Å; Y189-I509 HydrophobicContact CD2-CG2 4.23Å; I504-I509 HydrophobicContact CD1-CD1 4.16Å; I504-I509 HydrophobicContact CG1-CD1 3.75Å; I504-I509 HydrophobicContact CG1-CG1 4.31Å; I509-Y520 HydrophobicContact CD1-CD2 3.93Å
510	S	93.2	Very high	88.5	Confident	48 Å²	48	41.8 Å²	41.8	34%	0.336	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-96.8	137	-177.7	179.4	0	0	0	0	111.4	D512 N517	S510-D512 PolarHBondContact O-N 3.46Å; S510-D512 PolarHBondContact OG-N 3.23Å; S510-N517 PolarHBondContact N-OD1 2.85Å; S510-N517 PolarHBondContact O-ND2 3.45Å
511	E	92.3	Very high	89.7	Confident	69 Å²	69	38.7 Å²	38.7	32%	0.322	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-25.3	172	-179.4	167.1	162.3	0	0	112.2	N188 K191 S192	N188-E511 HydrophobicContact CB-CB 4.34Å; K191-E511 HydrophobicContact CB-CG 3.78Å; K191-E511 HydrophobicContact CD-CG 3.84Å; K191-E511 WeakPolarHBondContact CD-OE1 3.5Å; K191-E511 WeakPolarHBondContact CD-OE2 3.33Å; K191-E511 IonicContact NZ-OE1 2.89Å; K191-E511 PolarHBondContact NZ-OE1 3.16Å; K191-E511 IonicContact NZ-OE2 3.26Å; K191-E511 PolarHBondContact NZ-OE2 3Å; S192-E511 WeakPolarHBondContact CA-O 3.47Å; S192-E511 WeakPolarHBondContact CB-O 3.38Å
512	D	89.4	Confident	90.8	Very high	143 Å²	143	36.8 Å²	36.8	77%	0.765	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.6	-2.4	-172.5	-61.1	-46.1	0	0	0	114.7	S510	S510-D512 PolarHBondContact O-N 3.46Å; S510-D512 PolarHBondContact OG-N 3.23Å
513	D	89.7	Confident	91.5	Very high	50 Å²	50	37.1 Å²	37.1	27%	0.267	19%	0.188	S	C	.	.			trans	-126	70.8	-174.6	-163.7	-15.4	0	0	0	112.7	F515 M516 N517	D513-F515 VanDerWaalsContact C-N 3.31Å; D513-F515 PolarHBondContact O-N 3.38Å; D513-M516 HydrophobicContact CB-CB 4.24Å; D513-M516 PolarHBondContact O-N 3.34Å; D513-M516 WeakPolarHBondContact OD1-CB 3.41Å; D513-M516 PolarHBondContact OD1-N 3.4Å; D513-M516 WeakPolarHBondContact OD2-CB 3.39Å; D513-N517 WeakPolarHBondContact O-CB 3.36Å; D513-N517 PolarHBondContact O-N 2.85Å; D513-N517 PolarHBondContact O-ND2 3.13Å; D513-N517 PolarHBondContact O-OD1 3.46Å
514	Y	90.5	Very high	91.8	Very high	6 Å²	6	36.5 Å²	36.5	2%	0.024	19%	0.185	C	C	.	.	H	α-helix	trans	-57.2	-42.4	179.4	177	-121.1	0	0	0	113	S192 C193 I398 R401 Y402 E421 N517 V518	S192-Y514 WeakPolarHBondContact O-CB 3.43Å; C193-Y514 VanDerWaalsContact CA-CD2 3.41Å; C193-Y514 HydrophobicContact CB-CD2 3.52Å; C193-Y514 HydrophobicContact CB-CE2 3.27Å; I398-Y514 VanDerWaalsContact CD1-OH 3.29Å; I398-Y514 WeakPolarHBondContact CD1-OH 3.39Å; I398-Y514 HydrophobicContact CG2-CE1 3.75Å; R401-Y514 PolarHBondContact NH1-OH 3.12Å; Y402-Y514 HydrophobicContact CE2-CE1 4.3Å; E421-Y514 PolarHBondContact OE1-OH 2.63Å; E421-Y514 PolarHBondContact OE2-OH 3.02Å; Y514-N517 WeakPolarHBondContact O-CB 3.4Å; Y514-N517 PolarHBondContact O-N 2.98Å; Y514-V518 HydrophobicContact CD1-CG2 4.43Å; Y514-V518 HydrophobicContact CD2-CG2 3.93Å; Y514-V518 HydrophobicContact CE1-CG2 3.95Å; Y514-V518 HydrophobicContact CE2-CG2 3.37Å; Y514-V518 HydrophobicContact CG-CG2 4.42Å; Y514-V518 VanDerWaalsContact O-CG2 3.27Å; Y514-V518 WeakPolarHBondContact O-CG2 2.92Å; Y514-V518 PolarHBondContact O-N 3.32Å
515	F	89.7	Confident	91.8	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.009	20%	0.202	C	C	.	.	H	α-helix	trans	-70.5	-36.8	-174.9	-74.6	-77	0	0	0	112.5	I204 E207 V208 L211 I398 L399 Y402 D513 Y519	I204-F515 HydrophobicContact CG2-CE2 3.95Å; I204-F515 HydrophobicContact CG2-CZ 3.61Å; E207-F515 HydrophobicContact CB-CD2 3.6Å; E207-F515 HydrophobicContact CB-CE2 4.05Å; E207-F515 HydrophobicContact CG-CD2 4.47Å; V208-F515 HydrophobicContact CG2-CD1 4.12Å; V208-F515 HydrophobicContact CG2-CE1 3.95Å; V208-F515 HydrophobicContact CG2-CE2 4.46Å; V208-F515 HydrophobicContact CG2-CG 4.47Å; V208-F515 HydrophobicContact CG2-CZ 4.14Å; L211-F515 HydrophobicContact CD2-CB 4.02Å; I398-F515 HydrophobicContact CG2-CE1 4.41Å; L399-F515 HydrophobicContact CD2-CE1 3.84Å; Y402-F515 HydrophobicContact CD2-CZ 4.35Å; Y402-F515 HydrophobicContact CE2-CZ 4.01Å; D513-F515 VanDerWaalsContact C-N 3.31Å; D513-F515 PolarHBondContact O-N 3.38Å; F515-Y519 PolarHBondContact O-N 2.92Å; F515-Y519 VanDerWaalsContact O-N 3.13Å
516	M	93.1	Very high	91.9	Very high	12 Å²	12	38.6 Å²	38.6	6%	0.059	19%	0.194	C	C	.	.	H	α-helix	trans	-69.4	-39.7	171.4	-167.7	66.4	74.6	0	0	111.6	L211 T214 L215 D513 V518 Y519 Y520	L211-M516 HydrophobicContact CD1-CB 4.48Å; L211-M516 HydrophobicContact CD1-CE 3.66Å; L211-M516 HydrophobicContact CD1-SD 3.65Å; T214-M516 HydrophobicContact CG2-CE 3.54Å; L215-M516 HydrophobicContact CD2-SD 4.46Å; D513-M516 HydrophobicContact CB-CB 4.24Å; D513-M516 PolarHBondContact O-N 3.34Å; D513-M516 WeakPolarHBondContact OD1-CB 3.41Å; D513-M516 PolarHBondContact OD1-N 3.4Å; D513-M516 WeakPolarHBondContact OD2-CB 3.39Å; M516-V518 VanDerWaalsContact C-N 3.31Å; M516-V518 PolarHBondContact O-N 3.06Å; M516-Y519 WeakPolarHBondContact O-CA 3.38Å; M516-Y519 WeakPolarHBondContact O-CB 3.19Å; M516-Y519 PolarHBondContact O-N 3.49Å; M516-Y519 VanDerWaalsContact O-N 3.1Å; M516-Y519 HydrophobicContact SD-CD1 3.87Å; M516-Y520 HydrophobicContact CG-CD2 4.2Å; M516-Y520 HydrophobicContact CG-CE1 4.06Å; M516-Y520 HydrophobicContact CG-CE2 3.53Å; M516-Y520 VanDerWaalsContact CG-CZ 3.44Å; M516-Y520 WeakPolarHBondContact O-CD2 3.35Å; M516-Y520 PolarHBondContact O-N 3.42Å; M516-Y520 HydrophobicContact SD-CE1 4.05Å
517	N	93.9	Very high	92.1	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.011	18%	0.176	C	C	.	.	H	α-helix	trans	-58.9	-42.6	174.7	-70	-16.2	0	0	0	111.8	Y189 S192 S510 D513 Y514 Y519 Y520 S521	Y189-N517 HydrophobicContact CD2-CB 3.79Å; Y189-N517 HydrophobicContact CE2-CB 3.72Å; S192-N517 PolarHBondContact OG-ND2 3.04Å; S510-N517 PolarHBondContact N-OD1 2.85Å; S510-N517 PolarHBondContact O-ND2 3.45Å; D513-N517 WeakPolarHBondContact O-CB 3.36Å; D513-N517 PolarHBondContact O-N 2.85Å; D513-N517 PolarHBondContact O-ND2 3.13Å; D513-N517 PolarHBondContact O-OD1 3.46Å; Y514-N517 WeakPolarHBondContact O-CB 3.4Å; Y514-N517 PolarHBondContact O-N 2.98Å; N517-Y519 VanDerWaalsContact C-N 3.33Å; N517-Y519 PolarHBondContact O-N 2.86Å; N517-Y520 PolarHBondContact O-N 2.82Å; N517-S521 PolarHBondContact O-N 3.23Å
518	V	91.9	Very high	92	Very high	3 Å²	3	37 Å²	37	2%	0.018	18%	0.181	C	C	.	.	H	α-helix	trans	-61.1	-42	174	166.5	0	0	0	0	111.3	I398 Y514 M516 S521 Q522	I398-V518 HydrophobicContact CB-CG1 4.42Å; I398-V518 HydrophobicContact CD1-CG1 3.88Å; I398-V518 HydrophobicContact CD1-CG2 3.9Å; I398-V518 HydrophobicContact CG1-CG1 3.73Å; I398-V518 HydrophobicContact CG2-CG1 4.31Å; I398-V518 HydrophobicContact CG2-CG2 4.24Å; Y514-V518 HydrophobicContact CD1-CG2 4.43Å; Y514-V518 HydrophobicContact CD2-CG2 3.93Å; Y514-V518 HydrophobicContact CE1-CG2 3.95Å; Y514-V518 HydrophobicContact CE2-CG2 3.37Å; Y514-V518 HydrophobicContact CG-CG2 4.42Å; Y514-V518 VanDerWaalsContact O-CG2 3.27Å; Y514-V518 WeakPolarHBondContact O-CG2 2.92Å; Y514-V518 PolarHBondContact O-N 3.32Å; M516-V518 VanDerWaalsContact C-N 3.31Å; M516-V518 PolarHBondContact O-N 3.06Å; V518-S521 WeakPolarHBondContact O-CB 3.2Å; V518-S521 PolarHBondContact O-N 3.38Å; V518-Q522 WeakPolarHBondContact O-CG 3.49Å; V518-Q522 PolarHBondContact O-N 2.79Å
519	Y	93.8	Very high	91.7	Very high	14 Å²	14	31.3 Å²	31.3	6%	0.055	16%	0.161	C	C	.	.	H	α-helix	trans	-61.6	-43	174.1	167.9	-107.1	0	0	0	111.7	L215 P250 Q254 F391 F515 M516 N517 S521 Q522 K523	L215-Y519 HydrophobicContact CD1-CD1 4.16Å; L215-Y519 HydrophobicContact CD1-CD2 3.95Å; L215-Y519 HydrophobicContact CD1-CE1 4.26Å; L215-Y519 HydrophobicContact CD1-CE2 4.05Å; L215-Y519 HydrophobicContact CD1-CG 3.99Å; L215-Y519 HydrophobicContact CD2-CD1 4.1Å; L215-Y519 HydrophobicContact CD2-CE1 3.65Å; P250-Y519 WeakPolarHBondContact CA-OH 3.4Å; P250-Y519 HydrophobicContact CB-CE2 4.33Å; P250-Y519 WeakPolarHBondContact O-CE2 3.28Å; Q254-Y519 HydrophobicContact CB-CE2 4.34Å; F391-Y519 AromaticContact CE2-CD2 3.57Å; F391-Y519 HydrophobicContact CE2-CD2 3.57Å; F391-Y519 AromaticContact CE2-CE2 3.87Å; F391-Y519 HydrophobicContact CE2-CE2 3.87Å; F391-Y519 AromaticContact CZ-CD2 3.88Å; F391-Y519 HydrophobicContact CZ-CD2 3.88Å; F391-Y519 HydrophobicContact CZ-CG 4.46Å; F515-Y519 PolarHBondContact O-N 2.92Å; F515-Y519 VanDerWaalsContact O-N 3.13Å; M516-Y519 WeakPolarHBondContact O-CA 3.38Å; M516-Y519 WeakPolarHBondContact O-CB 3.19Å; M516-Y519 PolarHBondContact O-N 3.49Å; M516-Y519 VanDerWaalsContact O-N 3.1Å; M516-Y519 HydrophobicContact SD-CD1 3.87Å; N517-Y519 VanDerWaalsContact C-N 3.33Å; N517-Y519 PolarHBondContact O-N 2.86Å; Y519-S521 VanDerWaalsContact C-N 3.32Å; Y519-S521 PolarHBondContact O-N 3.19Å; Y519-Q522 PolarHBondContact O-N 3.18Å; Y519-K523 WeakPolarHBondContact O-CB 3.34Å; Y519-K523 PolarHBondContact O-N 3.16Å
520	Y	94.9	Very high	91.4	Very high	46 Å²	46	31.1 Å²	31.1	18%	0.18	16%	0.16	C	C	.	.	H	α-helix	trans	-64	-35.9	174.3	-61.9	-32.3	0	0	0	112.7	N507 I509 M516 N517 K523 T524	N507-Y520 HydrophobicContact CB-CD1 3.71Å; N507-Y520 HydrophobicContact CB-CD2 3.59Å; N507-Y520 HydrophobicContact CB-CE1 3.73Å; N507-Y520 HydrophobicContact CB-CE2 3.58Å; N507-Y520 HydrophobicContact CB-CG 3.65Å; N507-Y520 VanDerWaalsContact CG-CD1 3.5Å; I509-Y520 HydrophobicContact CD1-CD2 3.93Å; M516-Y520 HydrophobicContact CG-CD2 4.2Å; M516-Y520 HydrophobicContact CG-CE1 4.06Å; M516-Y520 HydrophobicContact CG-CE2 3.53Å; M516-Y520 VanDerWaalsContact CG-CZ 3.44Å; M516-Y520 WeakPolarHBondContact O-CD2 3.35Å; M516-Y520 PolarHBondContact O-N 3.42Å; M516-Y520 HydrophobicContact SD-CE1 4.05Å; N517-Y520 PolarHBondContact O-N 2.82Å; Y520-K523 PolarHBondContact O-N 3Å; Y520-T524 WeakPolarHBondContact O-CB 3Å; Y520-T524 PolarHBondContact O-N 3.33Å; Y520-T524 PolarHBondContact O-OG1 2.82Å
521	S	93.6	Very high	91	Very high	4 Å²	4	31.9 Å²	31.9	3%	0.028	16%	0.156	C	C	.	.	H	α-helix	trans	-60.2	-49.1	171.2	177	0	0	0	0	111.3	N425 N517 V518 Y519 K523 T524 K525	N425-S521 WeakPolarHBondContact ND2-CB 3.35Å; N425-S521 PolarHBondContact ND2-OG 2.93Å; N425-S521 WeakPolarHBondContact OD1-CA 3.3Å; N425-S521 WeakPolarHBondContact OD1-CB 3.45Å; N425-S521 PolarHBondContact OD1-OG 3.16Å; N517-S521 PolarHBondContact O-N 3.23Å; V518-S521 WeakPolarHBondContact O-CB 3.2Å; V518-S521 PolarHBondContact O-N 3.38Å; Y519-S521 VanDerWaalsContact C-N 3.32Å; Y519-S521 PolarHBondContact O-N 3.19Å; S521-K523 PolarHBondContact O-N 3.39Å; S521-T524 WeakPolarHBondContact O-CB 3.46Å; S521-T524 PolarHBondContact O-N 3.18Å; S521-K525 WeakPolarHBondContact O-CG 3.48Å; S521-K525 PolarHBondContact O-N 2.85Å; S521-K525 WeakPolarHBondContact OG-CE 3.42Å
522	Q	92.6	Very high	90.4	Very high	30 Å²	30	36.2 Å²	36.2	14%	0.14	17%	0.174	C	C	.	.	H	α-helix	trans	-62.1	-44.1	177.9	-69.8	176.9	-23.3	0	0	111.8	Q254 N394 V518 Y519 T524 K525 F526	Q254-Q522 HydrophobicContact CG-CB 3.9Å; Q254-Q522 HydrophobicContact CG-CG 4.44Å; N394-Q522 PolarHBondContact O-NE2 2.9Å; V518-Q522 WeakPolarHBondContact O-CG 3.49Å; V518-Q522 PolarHBondContact O-N 2.79Å; Y519-Q522 PolarHBondContact O-N 3.18Å; Q522-T524 VanDerWaalsContact C-N 3.31Å; Q522-T524 PolarHBondContact O-N 3.06Å; Q522-K525 PolarHBondContact O-N 2.9Å; Q522-F526 PolarHBondContact O-N 3.43Å; Q522-F526 VanDerWaalsContact O-N 3.12Å
523	K	93.6	Very high	90.1	Very high	9 Å²	9	30.6 Å²	30.6	4%	0.039	15%	0.146	C	C	.	.	H	α-helix	trans	-54.2	-46.8	171.5	177.4	179.4	171.1	-169.2	0	111.8	L253 E344 N507 Y519 Y520 S521 K525 F526 L527	L253-K523 HydrophobicContact CB-CG 4.19Å; L253-K523 HydrophobicContact CD1-CD 4.33Å; L253-K523 HydrophobicContact CD2-CG 4.41Å; L253-K523 VanDerWaalsContact O-CA 3.28Å; L253-K523 WeakPolarHBondContact O-CA 3.42Å; E344-K523 VanDerWaalsContact CD-CE 3.44Å; E344-K523 IonicContact OE1-NZ 2.62Å; E344-K523 PolarHBondContact OE1-NZ 2.91Å; E344-K523 WeakPolarHBondContact OE2-CE 3.33Å; E344-K523 IonicContact OE2-NZ 3.76Å; E344-K523 PolarHBondContact OE2-NZ 2.93Å; N507-K523 PolarHBondContact OD1-NZ 3.1Å; N507-K523 VanDerWaalsContact OD1-NZ 3.13Å; Y519-K523 WeakPolarHBondContact O-CB 3.34Å; Y519-K523 PolarHBondContact O-N 3.16Å; Y520-K523 PolarHBondContact O-N 3Å; S521-K523 PolarHBondContact O-N 3.39Å; K523-K525 PolarHBondContact O-N 3.27Å; K523-F526 PolarHBondContact O-N 3.38Å; K523-L527 HydrophobicContact CG-CD1 4.01Å; K523-L527 HydrophobicContact CG-CG 4.48Å; K523-L527 WeakPolarHBondContact O-CG 3.35Å; K523-L527 PolarHBondContact O-N 3.15Å
524	T	92.1	Very high	89.8	Confident	1 Å²	1	29.5 Å²	29.5	1%	0.006	14%	0.14	C	C	.	.	H	α-helix	trans	-61.5	-43.6	179.1	-61.2	0	0	0	0	111.9	F503 I504 Y520 S521 Q522 F526 L527 K528	F503-T524 HydrophobicContact CB-CG2 4.13Å; I504-T524 WeakPolarHBondContact CA-OG1 3.42Å; I504-T524 HydrophobicContact CB-CG2 4.19Å; I504-T524 WeakPolarHBondContact CB-OG1 3.48Å; I504-T524 PolarHBondContact N-OG1 3.18Å; Y520-T524 WeakPolarHBondContact O-CB 3Å; Y520-T524 PolarHBondContact O-N 3.33Å; Y520-T524 PolarHBondContact O-OG1 2.82Å; S521-T524 WeakPolarHBondContact O-CB 3.46Å; S521-T524 PolarHBondContact O-N 3.18Å; Q522-T524 VanDerWaalsContact C-N 3.31Å; Q522-T524 PolarHBondContact O-N 3.06Å; T524-F526 VanDerWaalsContact C-N 3.35Å; T524-F526 PolarHBondContact O-N 3.31Å; T524-L527 PolarHBondContact O-N 3.2Å; T524-K528 HydrophobicContact CG2-CD 4.11Å; T524-K528 HydrophobicContact CG2-CG 4.34Å; T524-K528 WeakPolarHBondContact O-CB 3.38Å; T524-K528 WeakPolarHBondContact O-CG 3.18Å; T524-K528 PolarHBondContact O-N 3.37Å
525	K	90	Very high	89.1	Confident	78 Å²	78	30.9 Å²	30.9	34%	0.339	15%	0.147	S	C	.	.	H	α-helix	trans	-61.3	-43.7	178	-67.1	174.5	-161.9	-155.4	0	111.9	E424 S521 Q522 K523 K528 S529	E424-K525 WeakPolarHBondContact OE1-CD 3.16Å; E424-K525 WeakPolarHBondContact OE1-CE 3.49Å; E424-K525 IonicContact OE1-NZ 3.71Å; E424-K525 PolarHBondContact OE1-NZ 3.26Å; E424-K525 WeakPolarHBondContact OE2-CE 3.23Å; E424-K525 IonicContact OE2-NZ 2.78Å; E424-K525 PolarHBondContact OE2-NZ 3.27Å; S521-K525 WeakPolarHBondContact O-CG 3.48Å; S521-K525 PolarHBondContact O-N 2.85Å; S521-K525 WeakPolarHBondContact OG-CE 3.42Å; Q522-K525 PolarHBondContact O-N 2.9Å; K523-K525 PolarHBondContact O-N 3.27Å; K525-K528 PolarHBondContact O-N 3.47Å; K525-S529 PolarHBondContact O-N 3.35Å
526	F	91.4	Very high	88	Confident	14 Å²	14	35.5 Å²	35.5	6%	0.061	18%	0.176	C	C	.	.	H	α-helix	trans	-62.9	-48.6	176	174	-116.3	0	0	0	111.7	L252 L253 L263 I341 Q522 K523 T524 K528 S529 I530	L252-F526 WeakPolarHBondContact O-CE1 3.06Å; L253-F526 HydrophobicContact CD2-CD1 4.34Å; L253-F526 HydrophobicContact CD2-CE1 4.4Å; L253-F526 WeakPolarHBondContact O-CB 3.23Å; L253-F526 WeakPolarHBondContact O-CD1 3.03Å; L263-F526 HydrophobicContact CD2-CZ 4.15Å; I341-F526 HydrophobicContact CG2-CE1 4.34Å; Q522-F526 PolarHBondContact O-N 3.43Å; Q522-F526 VanDerWaalsContact O-N 3.12Å; K523-F526 PolarHBondContact O-N 3.38Å; T524-F526 VanDerWaalsContact C-N 3.35Å; T524-F526 PolarHBondContact O-N 3.31Å; F526-K528 PolarHBondContact O-N 3.33Å; F526-S529 WeakPolarHBondContact O-CB 3.42Å; F526-S529 PolarHBondContact O-N 2.93Å; F526-S529 PolarHBondContact O-OG 3.17Å; F526-I530 HydrophobicContact CD1-CD1 4.37Å; F526-I530 HydrophobicContact CE1-CD1 3.72Å; F526-I530 HydrophobicContact CE2-CD1 4Å; F526-I530 HydrophobicContact CE2-CG1 4.27Å; F526-I530 HydrophobicContact CZ-CD1 3.53Å; F526-I530 HydrophobicContact CZ-CG1 4.3Å; F526-I530 PolarHBondContact O-N 3.44Å; F526-I530 VanDerWaalsContact O-N 3.16Å
527	L	91	Very high	86.6	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-61.1	-41.7	177.8	-67.5	175.5	0	0	0	112.3	L253 I341 E344 L345 F503 K523 T524 S529 I530 Y531	L253-L527 HydrophobicContact CD2-CD2 4.3Å; I341-L527 HydrophobicContact CG2-CD2 4.42Å; E344-L527 HydrophobicContact CB-CD1 3.82Å; E344-L527 HydrophobicContact CB-CD2 4Å; E344-L527 HydrophobicContact CG-CD1 4.5Å; L345-L527 HydrophobicContact CD2-CB 3.85Å; L345-L527 HydrophobicContact CD2-CD2 3.85Å; L345-L527 HydrophobicContact CD2-CG 4.36Å; L345-L527 HydrophobicContact CG-CD2 4.04Å; F503-L527 HydrophobicContact CB-CB 4.12Å; F503-L527 HydrophobicContact CB-CD1 3.78Å; F503-L527 HydrophobicContact CD1-CB 4.43Å; F503-L527 HydrophobicContact CD1-CD1 4.35Å; F503-L527 HydrophobicContact CD2-CB 3.48Å; F503-L527 VanDerWaalsContact CD2-CB 3.48Å; F503-L527 HydrophobicContact CE2-CB 3.98Å; F503-L527 HydrophobicContact CG-CB 3.75Å; F503-L527 HydrophobicContact CG-CD1 3.99Å; K523-L527 HydrophobicContact CG-CD1 4.01Å; K523-L527 HydrophobicContact CG-CG 4.48Å; K523-L527 WeakPolarHBondContact O-CG 3.35Å; K523-L527 PolarHBondContact O-N 3.15Å; T524-L527 PolarHBondContact O-N 3.2Å; L527-S529 VanDerWaalsContact C-N 3.28Å; L527-S529 PolarHBondContact O-N 3.19Å; L527-I530 PolarHBondContact O-N 3.14Å; L527-Y531 WeakPolarHBondContact O-CB 3.46Å; L527-Y531 PolarHBondContact O-N 2.95Å
528	K	87	Confident	85.3	Confident	59 Å²	59	42 Å²	42	26%	0.257	22%	0.217	S	C	.	.	H	α-helix	trans	-59.1	-38.6	172.6	-76.5	-178.8	177.4	-179.8	0	111.9	D502 F503 T524 K525 F526 I530 Y531 K532	D502-K528 WeakPolarHBondContact OD1-CE 3.47Å; D502-K528 IonicContact OD1-NZ 2.63Å; D502-K528 PolarHBondContact OD1-NZ 3.47Å; F503-K528 HydrophobicContact CD2-CG 3.91Å; F503-K528 HydrophobicContact CE2-CG 4.18Å; T524-K528 HydrophobicContact CG2-CD 4.11Å; T524-K528 HydrophobicContact CG2-CG 4.34Å; T524-K528 WeakPolarHBondContact O-CB 3.38Å; T524-K528 WeakPolarHBondContact O-CG 3.18Å; T524-K528 PolarHBondContact O-N 3.37Å; K525-K528 PolarHBondContact O-N 3.47Å; F526-K528 PolarHBondContact O-N 3.33Å; K528-I530 VanDerWaalsContact C-N 3.33Å; K528-I530 PolarHBondContact O-N 2.82Å; K528-Y531 PolarHBondContact O-N 3.06Å; K528-K532 WeakPolarHBondContact O-CB 3.15Å; K528-K532 PolarHBondContact O-N 3.26Å
529	S	86.3	Confident	84.2	Confident	63 Å²	63	43.1 Å²	43.1	44%	0.441	22%	0.221	S	C	.	.	H	α-helix	trans	-64.7	-36.4	177.4	81	0	0	0	0	112.7	K525 F526 L527	K525-S529 PolarHBondContact O-N 3.35Å; F526-S529 WeakPolarHBondContact O-CB 3.42Å; F526-S529 PolarHBondContact O-N 2.93Å; F526-S529 PolarHBondContact O-OG 3.17Å; L527-S529 VanDerWaalsContact C-N 3.28Å; L527-S529 PolarHBondContact O-N 3.19Å
530	I	88.7	Confident	83.1	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-71.2	-49.9	173.5	-62.2	176.6	0	0	0	109.8	L263 L265 I341 F342 L345 F526 L527 K528 K532 S533 L534	L263-I530 HydrophobicContact CD2-CD1 4.36Å; L265-I530 HydrophobicContact CB-CB 4.5Å; L265-I530 HydrophobicContact CB-CG2 4.01Å; L265-I530 HydrophobicContact CD2-CG2 3.73Å; L265-I530 WeakPolarHBondContact CD2-O 3.32Å; L265-I530 HydrophobicContact CG-CG2 4.38Å; I341-I530 HydrophobicContact CG2-CD1 3.74Å; F342-I530 HydrophobicContact CE1-CG2 4.29Å; L345-I530 HydrophobicContact CD1-CB 4.03Å; L345-I530 HydrophobicContact CD1-CG2 3.48Å; L345-I530 VanDerWaalsContact CD1-CG2 3.48Å; F526-I530 HydrophobicContact CD1-CD1 4.37Å; F526-I530 HydrophobicContact CE1-CD1 3.72Å; F526-I530 HydrophobicContact CE2-CD1 4Å; F526-I530 HydrophobicContact CE2-CG1 4.27Å; F526-I530 HydrophobicContact CZ-CD1 3.53Å; F526-I530 HydrophobicContact CZ-CG1 4.3Å; F526-I530 PolarHBondContact O-N 3.44Å; F526-I530 VanDerWaalsContact O-N 3.16Å; L527-I530 PolarHBondContact O-N 3.14Å; K528-I530 VanDerWaalsContact C-N 3.33Å; K528-I530 PolarHBondContact O-N 2.82Å; I530-K532 VanDerWaalsContact C-N 3.26Å; I530-K532 PolarHBondContact O-N 3.06Å; I530-S533 PolarHBondContact O-N 3.42Å; I530-L534 HydrophobicContact CG2-CD1 4.2Å; I530-L534 PolarHBondContact O-N 2.61Å
531	Y	85	Confident	81.9	Confident	63 Å²	63	42 Å²	42	25%	0.247	22%	0.221	C	C	.	.	H	α-helix	trans	-58.2	-38.5	-177.4	-172.5	-96.1	0	0	0	112.4	F503 L527 K528 S533 L534 D535	F503-Y531 HydrophobicContact CE2-CG 4.21Å; F503-Y531 AromaticContact CZ-CD2 3.86Å; F503-Y531 HydrophobicContact CZ-CD2 3.86Å; F503-Y531 AromaticContact CZ-CG 3.9Å; F503-Y531 HydrophobicContact CZ-CG 3.9Å; L527-Y531 WeakPolarHBondContact O-CB 3.46Å; L527-Y531 PolarHBondContact O-N 2.95Å; K528-Y531 PolarHBondContact O-N 3.06Å; Y531-S533 PolarHBondContact O-N 3.02Å; Y531-L534 WeakPolarHBondContact O-CA 3.49Å; Y531-L534 WeakPolarHBondContact O-CB 3.48Å; Y531-L534 PolarHBondContact O-N 3.48Å; Y531-D535 HydrophobicContact CD1-CB 4.24Å; Y531-D535 HydrophobicContact CE1-CB 3.67Å; Y531-D535 PolarHBondContact O-N 2.98Å; Y531-D535 PolarHBondContact OH-OD2 3.06Å
532	K	80.9	Confident	81	Confident	160 Å²	160	41.8 Å²	41.8	70%	0.696	22%	0.22	S	C	*	.	H	α-helix	trans	-58	-34.7	175.6	-175.9	-179.2	177.3	-174.5	0	113.2	K528 I530 L534	K528-K532 WeakPolarHBondContact O-CB 3.15Å; K528-K532 PolarHBondContact O-N 3.26Å; I530-K532 VanDerWaalsContact C-N 3.26Å; I530-K532 PolarHBondContact O-N 3.06Å; K532-L534 VanDerWaalsContact C-N 3.31Å
533	S	82.9	Confident	80	Confident	26 Å²	26	41 Å²	41	18%	0.182	22%	0.216	C	C	.	.	H	α-helix	trans	-77.5	-18.7	176.2	-63.7	0	0	0	0	112.3	L265 N267 I530 Y531	L265-S533 WeakPolarHBondContact O-CB 3.32Å; L265-S533 PolarHBondContact O-OG 2.91Å; N267-S533 WeakPolarHBondContact CB-O 3.43Å; N267-S533 PolarHBondContact ND2-O 2.96Å; I530-S533 PolarHBondContact O-N 3.42Å; Y531-S533 PolarHBondContact O-N 3.02Å
534	L	82.9	Confident	78.9	Confident	27 Å²	27	41.8 Å²	41.8	14%	0.141	22%	0.222	C	C	.	.	H	α-helix	trans	-88.8	-44.9	176.6	-62.2	175.2	0	0	0	113.1	L265 P271 F342 L345 Y347 M353 I530 Y531 K532	L265-L534 HydrophobicContact CD2-CD1 4.24Å; L265-L534 HydrophobicContact CD2-CD2 3.27Å; L265-L534 HydrophobicContact CD2-CG 3.42Å; L265-L534 VanDerWaalsContact CD2-CG 3.42Å; P271-L534 HydrophobicContact CB-CD2 4.29Å; F342-L534 HydrophobicContact CE1-CD1 4.47Å; L345-L534 HydrophobicContact CD1-CD1 4.35Å; Y347-L534 HydrophobicContact CD1-CD1 4.11Å; Y347-L534 HydrophobicContact CD2-CD1 3.98Å; Y347-L534 HydrophobicContact CE1-CD1 4.36Å; Y347-L534 HydrophobicContact CE1-CD2 4.08Å; Y347-L534 HydrophobicContact CE2-CD1 4.21Å; Y347-L534 HydrophobicContact CE2-CD2 4.34Å; Y347-L534 HydrophobicContact CG-CD1 3.91Å; M353-L534 HydrophobicContact CE-CD2 3.19Å; M353-L534 HydrophobicContact SD-CD2 4.41Å; I530-L534 HydrophobicContact CG2-CD1 4.2Å; I530-L534 PolarHBondContact O-N 2.61Å; Y531-L534 WeakPolarHBondContact O-CA 3.49Å; Y531-L534 WeakPolarHBondContact O-CB 3.48Å; Y531-L534 PolarHBondContact O-N 3.48Å; K532-L534 VanDerWaalsContact C-N 3.31Å
535	D	76.2	Confident	77.7	Confident	34 Å²	34	43.1 Å²	43.1	18%	0.182	23%	0.227	C	C	.	.			trans	-106.8	84.3	179.4	-176.1	14.7	0	0	0	109.5	R501 Y531 N537 A538	R501-D535 IonicContact CZ-OD2 2.7Å; R501-D535 IonicContact NH1-OD2 2.67Å; R501-D535 PolarHBondContact NH1-OD2 2.83Å; R501-D535 IonicContact NH2-OD2 2.71Å; Y531-D535 HydrophobicContact CD1-CB 4.24Å; Y531-D535 HydrophobicContact CE1-CB 3.67Å; Y531-D535 PolarHBondContact O-N 2.98Å; Y531-D535 PolarHBondContact OH-OD2 3.06Å; D535-N537 PolarHBondContact O-N 3.36Å; D535-N537 PolarHBondContact OD1-N 3.35Å; D535-A538 HydrophobicContact CB-CB 4.37Å; D535-A538 WeakPolarHBondContact O-CB 3.44Å; D535-A538 PolarHBondContact O-N 3.37Å; D535-A538 PolarHBondContact OD1-N 3.01Å; D535-A538 WeakPolarHBondContact OD2-CA 3.43Å; D535-A538 WeakPolarHBondContact OD2-CB 3.43Å
536	T	66.8	Low	77	Confident	100 Å²	100	40.7 Å²	40.7	61%	0.613	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-14.5	174.3	53.1	0	0	0	0	112.7	N267	N267-T536 WeakPolarHBondContact ND2-CG2 3.36Å
537	N	64.2	Low	76.6	Confident	113 Å²	113	40.2 Å²	40.2	60%	0.604	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.7	9.1	179.2	-67	-40.7	0	0	0	112.8	D535 E539	D535-N537 PolarHBondContact O-N 3.36Å; D535-N537 PolarHBondContact OD1-N 3.35Å; N537-E539 PolarHBondContact O-N 2.63Å; N537-E539 VanDerWaalsContact O-N 3.17Å
538	A	66	Low	76	Confident	38 Å²	38	42.7 Å²	42.7	31%	0.314	23%	0.225	S	C	.	.			trans	-56.9	121.7	-179.5	0	0	0	0	0	110.9	D535	D535-A538 HydrophobicContact CB-CB 4.37Å; D535-A538 WeakPolarHBondContact O-CB 3.44Å; D535-A538 PolarHBondContact O-N 3.37Å; D535-A538 PolarHBondContact OD1-N 3.01Å; D535-A538 WeakPolarHBondContact OD2-CA 3.43Å; D535-A538 WeakPolarHBondContact OD2-CB 3.43Å
539	E	67.9	Low	75.7	Confident	25 Å²	25	41.7 Å²	41.7	12%	0.117	22%	0.223	C	C	.	.			trans	-68.8	127.6	175.6	-171.1	165	113.8	0	0	109.7	W428 I488 L493 R498 N537 Y548 K559	W428-E539 WeakPolarHBondContact CH2-O 3.43Å; I488-E539 HydrophobicContact CD1-CG 3.57Å; I488-E539 HydrophobicContact CG1-CG 4.01Å; I488-E539 HydrophobicContact CG2-CG 4.38Å; L493-E539 HydrophobicContact CD1-CB 4.16Å; L493-E539 HydrophobicContact CD1-CG 4.4Å; L493-E539 WeakPolarHBondContact CD1-OE1 3.43Å; R498-E539 IonicContact CZ-OE1 2.73Å; R498-E539 IonicContact NH2-OE1 3.41Å; N537-E539 PolarHBondContact O-N 2.63Å; N537-E539 VanDerWaalsContact O-N 3.17Å; E539-Y548 WeakPolarHBondContact CA-OH 3.47Å; E539-K559 IonicContact OE2-NZ 3.68Å; E539-K559 PolarHBondContact OE2-NZ 2.86Å
540	P	70.7	Confident	75.3	Confident	31 Å²	31	39.7 Å²	39.7	20%	0.201	21%	0.208	C	C	.	.			trans	-75.8	174.2	177.6	39.5	-38.1	0	0	0	109.6	W428 I488 R498 T544 Y548	W428-P540 VanDerWaalsContact CH2-C 3.46Å; I488-P540 HydrophobicContact CD1-CG 4.12Å; R498-P540 PolarHBondContact NH2-O 3.45Å; P540-T544 HydrophobicContact CB-CG2 4.21Å; P540-T544 WeakPolarHBondContact CB-OG1 3.46Å; P540-T544 HydrophobicContact CG-CG2 4.21Å; P540-Y548 WeakPolarHBondContact CD-OH 3.38Å; P540-Y548 HydrophobicContact CG-CD1 3.81Å; P540-Y548 HydrophobicContact CG-CE1 3.2Å
541	D	70.7	Confident	74.5	Confident	6 Å²	6	42.5 Å²	42.5	3%	0.032	24%	0.237	C	C	.	.			trans	-74.1	161.3	-178.8	60.3	96.1	0	0	0	113.8	R427 W428 E431 F543 T544 S561	R427-D541 IonicContact CZ-OD1 3.74Å; R427-D541 IonicContact CZ-OD2 2.66Å; R427-D541 IonicContact NE-OD1 2.81Å; R427-D541 PolarHBondContact NE-OD1 3.3Å; R427-D541 IonicContact NE-OD2 2.92Å; R427-D541 PolarHBondContact NE-OD2 3.39Å; R427-D541 IonicContact NH1-OD1 2.8Å; R427-D541 IonicContact NH1-OD2 2.79Å; R427-D541 PolarHBondContact NH1-OD2 3.35Å; R427-D541 IonicContact NH2-OD1 2.62Å; R427-D541 PolarHBondContact NH2-OD1 3.42Å; R427-D541 IonicContact NH2-OD2 2.63Å; R427-D541 PolarHBondContact NH2-OD2 2.93Å; W428-D541 HydrophobicContact CE3-CB 4.03Å; W428-D541 VanDerWaalsContact CH2-CA 3.47Å; W428-D541 HydrophobicContact CH2-CB 3.75Å; W428-D541 VanDerWaalsContact CH2-N 3.31Å; W428-D541 HydrophobicContact CZ2-CB 4.45Å; W428-D541 HydrophobicContact CZ3-CB 3.53Å; E431-D541 WeakPolarHBondContact OE2-CA 3.48Å; E431-D541 VanDerWaalsContact OE2-CB 3.26Å; E431-D541 WeakPolarHBondContact OE2-CB 3.5Å; D541-F543 PolarHBondContact O-N 2.88Å; D541-F543 WeakPolarHBondContact OD1-CA 3.5Å; D541-F543 WeakPolarHBondContact OD1-CB 3.43Å; D541-F543 PolarHBondContact OD1-N 3.47Å; D541-T544 WeakPolarHBondContact O-CB 3.48Å; D541-T544 PolarHBondContact O-N 3.17Å; D541-T544 PolarHBondContact O-OG1 3.41Å; D541-T544 VanDerWaalsContact O-OG1 3.07Å; D541-T544 PolarHBondContact OD1-N 3.21Å; D541-T544 PolarHBondContact OD2-OG1 3.48Å; D541-S561 PolarHBondContact O-OG 2.89Å
542	A	73.9	Confident	73.6	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-2	-178.2	0	0	0	0	0	113.6	E431 I488 S561 A562 G563	E431-A542 HydrophobicContact CG-CB 3.87Å; E431-A542 VanDerWaalsContact OE1-CB 3.23Å; E431-A542 WeakPolarHBondContact OE1-CB 3.39Å; E431-A542 PolarHBondContact OE2-N 2.92Å; I488-A542 HydrophobicContact CG2-CB 4.4Å; A542-S561 VanDerWaalsContact O-CB 3.22Å; A542-S561 WeakPolarHBondContact O-CB 3.4Å; A542-A562 HydrophobicContact CB-CB 4.4Å; A542-A562 PolarHBondContact O-N 2.77Å; A542-G563 WeakPolarHBondContact O-CA 3.37Å; A542-G563 PolarHBondContact O-N 3.1Å
543	F	71.3	Confident	72.9	Confident	14 Å²	14	38.8 Å²	38.8	6%	0.061	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	9.3	173.2	-53.8	-66.4	0	0	0	113.3	V163 E431 H434 D541 F545	V163-F543 HydrophobicContact CG2-CD1 4.49Å; V163-F543 HydrophobicContact CG2-CD2 4.1Å; V163-F543 HydrophobicContact CG2-CE1 4.34Å; V163-F543 HydrophobicContact CG2-CE2 3.89Å; V163-F543 HydrophobicContact CG2-CG 4.39Å; V163-F543 HydrophobicContact CG2-CZ 4.05Å; E431-F543 HydrophobicContact CB-CE2 3.79Å; E431-F543 HydrophobicContact CG-CE2 3.8Å; E431-F543 HydrophobicContact CG-CZ 4.27Å; H434-F543 HydrophobicContact CB-CZ 3.77Å; H434-F543 AromaticContact CE1-CE1 3.79Å; H434-F543 AromaticContact CG-CZ 3.63Å; H434-F543 AromaticContact ND1-CE1 3.36Å; H434-F543 WeakPolarHBondContact ND1-CE1 3.37Å; H434-F543 AromaticContact ND1-CZ 3.38Å; H434-F543 WeakPolarHBondContact ND1-CZ 3.32Å; D541-F543 PolarHBondContact O-N 2.88Å; D541-F543 WeakPolarHBondContact OD1-CA 3.5Å; D541-F543 WeakPolarHBondContact OD1-CB 3.43Å; D541-F543 PolarHBondContact OD1-N 3.47Å; F543-F545 PolarHBondContact O-N 2.69Å
544	T	70.6	Confident	72	Confident	25 Å²	25	45 Å²	45	15%	0.153	27%	0.272	C	S	.	.			trans	-68.4	117.3	178.4	-64	0	0	0	0	110.6	P540 D541 M546 S561	P540-T544 HydrophobicContact CB-CG2 4.21Å; P540-T544 WeakPolarHBondContact CB-OG1 3.46Å; P540-T544 HydrophobicContact CG-CG2 4.21Å; D541-T544 WeakPolarHBondContact O-CB 3.48Å; D541-T544 PolarHBondContact O-N 3.17Å; D541-T544 PolarHBondContact O-OG1 3.41Å; D541-T544 VanDerWaalsContact O-OG1 3.07Å; D541-T544 PolarHBondContact OD1-N 3.21Å; D541-T544 PolarHBondContact OD2-OG1 3.48Å; T544-M546 PolarHBondContact O-N 2.93Å; T544-S561 WeakPolarHBondContact CB-OG 3.16Å; T544-S561 VanDerWaalsContact O-CB 3.26Å; T544-S561 WeakPolarHBondContact O-CB 3.35Å; T544-S561 PolarHBondContact O-OG 2.87Å
545	F	68.6	Low	71.6	Confident	29 Å²	29	48.2 Å²	48.2	13%	0.127	29%	0.29	C	S	.	.	S	Bend	trans	-72.2	-22.8	-170.6	-178.8	-124.6	0	0	0	114.7	F543 L564 Y569 F586 Y697	F543-F545 PolarHBondContact O-N 2.69Å; F545-L564 HydrophobicContact CD2-CD1 3.59Å; F545-L564 HydrophobicContact CE2-CD1 3.58Å; F545-Y569 HydrophobicContact CD2-CD1 4.35Å; F545-Y569 HydrophobicContact CD2-CD2 4.36Å; F545-Y569 AromaticContact CD2-CE1 3.78Å; F545-Y569 HydrophobicContact CD2-CE1 3.78Å; F545-Y569 AromaticContact CD2-CE2 3.75Å; F545-Y569 HydrophobicContact CD2-CE2 3.75Å; F545-Y569 AromaticContact CD2-CZ 3.4Å; F545-Y569 VanDerWaalsContact CD2-CZ 3.4Å; F545-Y569 WeakPolarHBondContact CD2-OH 3.48Å; F545-Y569 AromaticContact CE2-CD1 3.55Å; F545-Y569 HydrophobicContact CE2-CD1 3.55Å; F545-Y569 HydrophobicContact CE2-CD2 4.32Å; F545-Y569 AromaticContact CE2-CE1 3.06Å; F545-Y569 HydrophobicContact CE2-CE1 3.06Å; F545-Y569 AromaticContact CE2-CE2 3.9Å; F545-Y569 HydrophobicContact CE2-CE2 3.9Å; F545-Y569 HydrophobicContact CE2-CG 4.14Å; F545-Y569 AromaticContact CE2-CZ 3.24Å; F545-Y569 HydrophobicContact CZ-CD1 4.35Å; F545-Y569 AromaticContact CZ-CE1 3.72Å; F545-Y569 HydrophobicContact CZ-CE1 3.72Å; F545-F586 HydrophobicContact CD2-CZ 4.4Å; F545-F586 HydrophobicContact CE1-CZ 4.14Å; F545-F586 HydrophobicContact CE2-CE2 4.18Å; F545-F586 AromaticContact CE2-CZ 3.8Å; F545-F586 HydrophobicContact CE2-CZ 3.8Å; F545-F586 HydrophobicContact CZ-CE2 4.3Å; F545-F586 AromaticContact CZ-CZ 3.67Å; F545-F586 HydrophobicContact CZ-CZ 3.67Å; F545-Y697 HydrophobicContact CD1-CE1 4.42Å; F545-Y697 AromaticContact CD1-CZ 3.79Å; F545-Y697 WeakPolarHBondContact CD1-OH 3.22Å; F545-Y697 HydrophobicContact CE1-CE1 4.1Å; F545-Y697 AromaticContact CE1-CZ 3.9Å
546	M	74.4	Confident	71.9	Confident	27 Å²	27	47.4 Å²	47.4	13%	0.133	28%	0.284	C	S	.	.	S	Bend	trans	-110.7	126.5	-179.5	-176.9	58.1	71.1	0	0	109.9	T544 F586 Y697	T544-M546 PolarHBondContact O-N 2.93Å; M546-F586 HydrophobicContact CE-CD1 4.28Å; M546-F586 HydrophobicContact CE-CE1 3.68Å; M546-F586 HydrophobicContact SD-CD1 3.79Å; M546-F586 HydrophobicContact SD-CE1 3.69Å; M546-Y697 HydrophobicContact CE-CE1 3.96Å
547	P	82.9	Confident	72.9	Confident	3 Å²	3	44.5 Å²	44.5	2%	0.019	27%	0.265	C	S	.	.			trans	-60.4	154.2	168.8	-22.6	34.8	0	0	0	111.3	I558 K559 I560 L564 F586 Q590	P547-I558 HydrophobicContact CB-CG2 4.3Å; P547-K559 WeakPolarHBondContact CA-O 3.48Å; P547-K559 WeakPolarHBondContact CB-O 3.26Å; P547-I560 HydrophobicContact CB-CG1 3.98Å; P547-I560 HydrophobicContact CG-CD1 4.47Å; P547-I560 HydrophobicContact CG-CG1 3.9Å; P547-L564 HydrophobicContact CG-CD2 4.11Å; P547-F586 HydrophobicContact CG-CB 3.95Å; P547-F586 HydrophobicContact CG-CD1 4.05Å; P547-F586 HydrophobicContact CG-CG 4.25Å; P547-Q590 HydrophobicContact CB-CG 3.86Å; P547-Q590 PolarHBondContact O-NE2 2.94Å
548	Y	79.3	Confident	74.1	Confident	52 Å²	52	39.1 Å²	39.1	20%	0.204	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	160.4	177.5	73.1	-75.6	0	0	0	109.8	I488 E539 P540 K559	I488-Y548 HydrophobicContact CD1-CE1 3.74Å; E539-Y548 WeakPolarHBondContact CA-OH 3.47Å; P540-Y548 WeakPolarHBondContact CD-OH 3.38Å; P540-Y548 HydrophobicContact CG-CD1 3.81Å; P540-Y548 HydrophobicContact CG-CE1 3.2Å; Y548-K559 HydrophobicContact CD1-CB 4.08Å; Y548-K559 HydrophobicContact CE1-CB 3.54Å; Y548-K559 HydrophobicContact CE1-CD 4.05Å; Y548-K559 HydrophobicContact CE1-CG 4.42Å; Y548-K559 HydrophobicContact CE2-CD 4.09Å; Y548-K559 VanDerWaalsContact CZ-CD 3.47Å; Y548-K559 PolarHBondContact N-O 2.94Å; Y548-K559 PolarHBondContact O-N 2.88Å; Y548-K559 WeakPolarHBondContact OH-CD 3.42Å
549	I	80.5	Confident	75.2	Confident	39 Å²	39	38.4 Å²	38.4	20%	0.2	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	138.7	-179.8	-69.8	143.8	0	0	0	109.6	K556 L557 I558 Q590 E594	I549-K556 HydrophobicContact CG2-CB 4.11Å; I549-K556 HydrophobicContact CG2-CG 4.46Å; I549-L557 WeakPolarHBondContact CA-O 3.42Å; I549-I558 HydrophobicContact CD1-CG1 4.48Å; I549-I558 HydrophobicContact CG1-CG1 3.82Å; I549-Q590 HydrophobicContact CD1-CB 3.88Å; I549-Q590 HydrophobicContact CG1-CB 4.4Å; I549-E594 HydrophobicContact CD1-CG 3.21Å; I549-E594 HydrophobicContact CG1-CG 4.3Å; I549-E594 HydrophobicContact CG2-CG 4.5Å
550	S	77.5	Confident	76.1	Confident	20 Å²	20	37.2 Å²	37.2	14%	0.14	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	171.5	175	60.5	0	0	0	0	109.9	L557 K559	S550-L557 PolarHBondContact N-O 2.8Å; S550-L557 PolarHBondContact O-N 2.99Å; S550-K559 WeakPolarHBondContact OG-CD 3.22Å; S550-K559 WeakPolarHBondContact OG-CE 3.44Å
551	G	71.3	Confident	76.9	Confident	60 Å²	60	35.8 Å²	35.8	62%	0.619	21%	0.211	S	C	*	.	E	Extended strand (participates in β ladder)	trans	103.7	-170.9	178.6	0	0	0	0	0	113.1
552	S	66.5	Low	77.7	Confident	63 Å²	63	35.5 Å²	35.5	44%	0.441	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	169	178.9	66.3	0	0	0	0	111.1	E554 N555 K556	S552-E554 PolarHBondContact O-N 3.14Å; S552-E554 VanDerWaalsContact O-N 3.11Å; S552-N555 PolarHBondContact N-O 3.26Å; S552-N555 CarbonylContact O-C 3.53Å; S552-N555 VanDerWaalsContact O-C 3.3Å; S552-N555 PolarHBondContact O-N 3.12Å; S552-N555 VanDerWaalsContact O-N 3.12Å; S552-N555 PolarHBondContact OG-N 3.45Å; S552-K556 WeakPolarHBondContact O-CG 3.39Å; S552-K556 PolarHBondContact O-N 2.83Å
553	A	65.9	Low	78.1	Confident	83 Å²	83	36.1 Å²	36.1	69%	0.686	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-29.2	173.7	0	0	0	0	0	113.3
554	E	64.9	Low	78.7	Confident	157 Å²	157	35.5 Å²	35.5	73%	0.734	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-24.1	-179.2	-63.4	-179.5	173	0	0	113.7	S552	S552-E554 PolarHBondContact O-N 3.14Å; S552-E554 VanDerWaalsContact O-N 3.11Å
555	N	73.7	Confident	79.6	Confident	94 Å²	94	34.5 Å²	34.5	50%	0.503	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	75.8	-177.3	-73.5	-45.3	0	0	0	109.9	S552	S552-N555 PolarHBondContact N-O 3.26Å; S552-N555 CarbonylContact O-C 3.53Å; S552-N555 VanDerWaalsContact O-C 3.3Å; S552-N555 PolarHBondContact O-N 3.12Å; S552-N555 VanDerWaalsContact O-N 3.12Å; S552-N555 PolarHBondContact OG-N 3.45Å
556	K	83.2	Confident	80.4	Confident	16 Å²	16	34.2 Å²	34.2	7%	0.07	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	125.1	177.4	-64.6	-172.1	-177.6	-173.9	0	110	L479 F483 Q484 I549 S552 E594 N598	L479-K556 HydrophobicContact CD1-CD 4.3Å; F483-K556 WeakPolarHBondContact CA-O 3.32Å; F483-K556 HydrophobicContact CD1-CB 3.6Å; F483-K556 HydrophobicContact CE1-CB 3.34Å; F483-K556 HydrophobicContact CE1-CD 3.67Å; F483-K556 HydrophobicContact CE1-CG 4.12Å; F483-K556 HydrophobicContact CZ-CB 4.13Å; F483-K556 HydrophobicContact CZ-CD 3.68Å; Q484-K556 PolarHBondContact N-O 3.35Å; I549-K556 HydrophobicContact CG2-CB 4.11Å; I549-K556 HydrophobicContact CG2-CG 4.46Å; S552-K556 WeakPolarHBondContact O-CG 3.39Å; S552-K556 PolarHBondContact O-N 2.83Å; K556-E594 HydrophobicContact CD-CG 4.35Å; K556-E594 WeakPolarHBondContact CE-OE2 3.49Å; K556-E594 IonicContact NZ-OE2 3.02Å; K556-E594 PolarHBondContact NZ-OE2 2.9Å; K556-N598 PolarHBondContact NZ-OD1 3.08Å
557	L	87.7	Confident	80.8	Confident	39 Å²	39	35 Å²	35	20%	0.204	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	112.4	-177.5	-173.5	65.5	0	0	0	109.8	Q484 I549 S550 K559	Q484-L557 HydrophobicContact CB-CD1 3.58Å; I549-L557 WeakPolarHBondContact CA-O 3.42Å; S550-L557 PolarHBondContact N-O 2.8Å; S550-L557 PolarHBondContact O-N 2.99Å; L557-K559 HydrophobicContact CD2-CD 4.43Å; L557-K559 VanDerWaalsContact CD2-CE 3.47Å; L557-K559 HydrophobicContact CD2-CG 4.17Å; L557-K559 HydrophobicContact CG-CG 4.09Å
558	I	89.8	Confident	80.4	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	123.7	169.4	-60.6	173.9	0	0	0	107.5	F451 F483 Q484 L485 S486 P547 I549 I560 Q590 L591	F451-I558 HydrophobicContact CE2-CD1 3.95Å; F483-I558 HydrophobicContact CD1-CD1 4.08Å; F483-I558 HydrophobicContact CD1-CG1 3.97Å; F483-I558 HydrophobicContact CG-CD1 4.49Å; Q484-I558 PolarHBondContact O-N 2.76Å; L485-I558 CarbonylContact C-O 3.45Å; L485-I558 WeakPolarHBondContact CA-O 3.23Å; L485-I558 HydrophobicContact CD1-CB 3.88Å; L485-I558 HydrophobicContact CD1-CG2 3.7Å; S486-I558 PolarHBondContact N-O 3.01Å; P547-I558 HydrophobicContact CB-CG2 4.3Å; I549-I558 HydrophobicContact CD1-CG1 4.48Å; I549-I558 HydrophobicContact CG1-CG1 3.82Å; I558-I560 HydrophobicContact CG2-CG1 4.43Å; I558-Q590 HydrophobicContact CD1-CB 3.89Å; I558-Q590 HydrophobicContact CG1-CB 4.16Å; I558-Q590 HydrophobicContact CG2-CB 4.19Å; I558-Q590 HydrophobicContact CG2-CG 4.14Å; I558-L591 HydrophobicContact CD1-CD2 3.84Å; I558-L591 HydrophobicContact CD1-CG 4Å
559	K	87.5	Confident	80.3	Confident	24 Å²	24	38.7 Å²	38.7	10%	0.104	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	122.8	-179.5	-71.5	-177.8	171.2	-169.7	0	110.9	S486 I488 E539 P547 Y548 S550 L557	S486-K559 WeakPolarHBondContact O-CA 3.5Å; I488-K559 HydrophobicContact CD1-CB 3.86Å; I488-K559 HydrophobicContact CD1-CD 4.26Å; I488-K559 HydrophobicContact CG1-CB 4.23Å; E539-K559 IonicContact OE2-NZ 3.68Å; E539-K559 PolarHBondContact OE2-NZ 2.86Å; P547-K559 WeakPolarHBondContact CA-O 3.48Å; P547-K559 WeakPolarHBondContact CB-O 3.26Å; Y548-K559 HydrophobicContact CD1-CB 4.08Å; Y548-K559 HydrophobicContact CE1-CB 3.54Å; Y548-K559 HydrophobicContact CE1-CD 4.05Å; Y548-K559 HydrophobicContact CE1-CG 4.42Å; Y548-K559 HydrophobicContact CE2-CD 4.09Å; Y548-K559 VanDerWaalsContact CZ-CD 3.47Å; Y548-K559 PolarHBondContact N-O 2.94Å; Y548-K559 PolarHBondContact O-N 2.88Å; Y548-K559 WeakPolarHBondContact OH-CD 3.42Å; S550-K559 WeakPolarHBondContact OG-CD 3.22Å; S550-K559 WeakPolarHBondContact OG-CE 3.44Å; L557-K559 HydrophobicContact CD2-CD 4.43Å; L557-K559 VanDerWaalsContact CD2-CE 3.47Å; L557-K559 HydrophobicContact CD2-CG 4.17Å; L557-K559 HydrophobicContact CG-CG 4.09Å
560	I	87.9	Confident	80.5	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	134.4	177.3	-59.9	-176.4	0	0	0	109.7	L485 S486 I487 I488 P547 I558 L564 L565 I587	L485-I560 HydrophobicContact CD1-CD1 3.72Å; L485-I560 HydrophobicContact CD1-CG1 3.93Å; L485-I560 HydrophobicContact CD2-CD1 4.4Å; S486-I560 PolarHBondContact O-N 2.63Å; I487-I560 CarbonylContact C-O 3.56Å; I487-I560 VanDerWaalsContact CA-O 3.3Å; I487-I560 WeakPolarHBondContact CA-O 3.48Å; I488-I560 PolarHBondContact N-O 3.3Å; P547-I560 HydrophobicContact CB-CG1 3.98Å; P547-I560 HydrophobicContact CG-CD1 4.47Å; P547-I560 HydrophobicContact CG-CG1 3.9Å; I558-I560 HydrophobicContact CG2-CG1 4.43Å; I560-L564 HydrophobicContact CG2-CB 4.33Å; I560-L564 HydrophobicContact CG2-CD2 4.03Å; I560-L565 HydrophobicContact CG2-CD1 4.1Å; I560-L565 HydrophobicContact CG2-CD2 3.99Å; I560-L565 HydrophobicContact CG2-CG 3.9Å; I560-I587 HydrophobicContact CD1-CD1 4.02Å; I560-I587 HydrophobicContact CD1-CG1 3.58Å
561	S	86.4	Confident	80.9	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.007	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	141.1	179.4	-43.1	0	0	0	0	112.2	D541 A542 T544 G563 L564	D541-S561 PolarHBondContact O-OG 2.89Å; A542-S561 VanDerWaalsContact O-CB 3.22Å; A542-S561 WeakPolarHBondContact O-CB 3.4Å; T544-S561 WeakPolarHBondContact CB-OG 3.16Å; T544-S561 VanDerWaalsContact O-CB 3.26Å; T544-S561 WeakPolarHBondContact O-CB 3.35Å; T544-S561 PolarHBondContact O-OG 2.87Å; S561-G563 PolarHBondContact O-N 3.34Å; S561-G563 VanDerWaalsContact O-N 3.11Å; S561-L564 WeakPolarHBondContact O-CB 3.33Å; S561-L564 PolarHBondContact O-N 3.4Å
562	A	88.6	Confident	81.5	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-53.9	-32.9	179.3	0	0	0	0	0	113.6	Y436 S437 I439 I488 T489 A542 L564 L565 N566	Y436-A562 CarbonylContact O-C 3.53Å; S437-A562 WeakPolarHBondContact O-CB 3.36Å; I439-A562 HydrophobicContact CG2-CB 3.98Å; I488-A562 WeakPolarHBondContact O-CB 3.28Å; I488-A562 PolarHBondContact O-N 3.08Å; T489-A562 HydrophobicContact CG2-CB 4.31Å; A542-A562 HydrophobicContact CB-CB 4.4Å; A542-A562 PolarHBondContact O-N 2.77Å; A562-L564 PolarHBondContact O-N 3.38Å; A562-L565 CarbonylContact O-C 3.48Å; A562-L565 WeakPolarHBondContact O-CA 3.41Å; A562-L565 PolarHBondContact O-N 3.41Å; A562-N566 PolarHBondContact O-N 3.41Å; A562-N566 PolarHBondContact O-ND2 3.27Å
563	G	82.1	Confident	82.5	Confident	12 Å²	12	49 Å²	49	12%	0.124	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-62.2	-29.9	177.2	0	0	0	0	0	113.4	Y436 A542 S561 L565	Y436-G563 PolarHBondContact O-N 3.01Å; A542-G563 WeakPolarHBondContact O-CA 3.37Å; A542-G563 PolarHBondContact O-N 3.1Å; S561-G563 PolarHBondContact O-N 3.34Å; S561-G563 VanDerWaalsContact O-N 3.11Å; G563-L565 VanDerWaalsContact C-N 3.3Å
564	L	83.5	Confident	83.7	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.005	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-74.2	-25.6	173	-171.1	65.8	0	0	0	111.9	F545 P547 I560 S561 A562 N566 Y569 I583 F586	F545-L564 HydrophobicContact CD2-CD1 3.59Å; F545-L564 HydrophobicContact CE2-CD1 3.58Å; P547-L564 HydrophobicContact CG-CD2 4.11Å; I560-L564 HydrophobicContact CG2-CB 4.33Å; I560-L564 HydrophobicContact CG2-CD2 4.03Å; S561-L564 WeakPolarHBondContact O-CB 3.33Å; S561-L564 PolarHBondContact O-N 3.4Å; A562-L564 PolarHBondContact O-N 3.38Å; L564-N566 PolarHBondContact O-N 3.48Å; L564-Y569 HydrophobicContact CD1-CD1 4.43Å; L564-Y569 HydrophobicContact CD1-CD2 4.13Å; L564-Y569 HydrophobicContact CD1-CG 3.96Å; L564-Y569 VanDerWaalsContact O-CB 3.31Å; L564-Y569 WeakPolarHBondContact O-CB 3.41Å; L564-I583 HydrophobicContact CD2-CD1 4.25Å; L564-I583 HydrophobicContact CG-CD1 3.83Å; L564-I583 WeakPolarHBondContact O-CD1 3.43Å; L564-F586 HydrophobicContact CD1-CD2 4.07Å; L564-F586 HydrophobicContact CD1-CE2 3.53Å; L564-F586 HydrophobicContact CD1-CZ 3.99Å; L564-F586 HydrophobicContact CD2-CB 4.38Å; L564-F586 HydrophobicContact CD2-CD1 4.38Å; L564-F586 HydrophobicContact CD2-CD2 3.7Å; L564-F586 HydrophobicContact CD2-CE2 3.94Å; L564-F586 HydrophobicContact CD2-CG 3.92Å; L564-F586 HydrophobicContact CD2-CZ 4.37Å; L564-F586 HydrophobicContact CG-CD2 4.33Å; L564-F586 HydrophobicContact CG-CE2 4.26Å
565	L	90.5	Very high	85.1	Confident	4 Å²	4	41.8 Å²	41.8	2%	0.021	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-93.6	23.9	179.4	-55.8	-178.2	0	0	0	112.2	I439 T443 V447 I487 I560 A562 G563 L570 I583	I439-L565 HydrophobicContact CD1-CD1 4.02Å; I439-L565 HydrophobicContact CG2-CB 3.74Å; I439-L565 HydrophobicContact CG2-CD1 4.39Å; T443-L565 HydrophobicContact CG2-CB 4.47Å; V447-L565 HydrophobicContact CG1-CD1 4.4Å; V447-L565 HydrophobicContact CG1-CD2 4.36Å; V447-L565 HydrophobicContact CG2-CD1 4.26Å; V447-L565 HydrophobicContact CG2-CD2 3.83Å; I487-L565 HydrophobicContact CD1-CD1 3.74Å; I487-L565 HydrophobicContact CG1-CD1 4.14Å; I487-L565 HydrophobicContact CG2-CD1 3.84Å; I560-L565 HydrophobicContact CG2-CD1 4.1Å; I560-L565 HydrophobicContact CG2-CD2 3.99Å; I560-L565 HydrophobicContact CG2-CG 3.9Å; A562-L565 CarbonylContact O-C 3.48Å; A562-L565 WeakPolarHBondContact O-CA 3.41Å; A562-L565 PolarHBondContact O-N 3.41Å; G563-L565 VanDerWaalsContact C-N 3.3Å; L565-L570 HydrophobicContact CB-CD2 4.28Å; L565-L570 HydrophobicContact CD2-CD2 4.32Å; L565-I583 HydrophobicContact CD2-CD1 3.78Å; L565-I583 HydrophobicContact CD2-CG1 3.99Å; L565-I583 HydrophobicContact CD2-CG2 3.96Å
566	N	85.4	Confident	86.1	Confident	24 Å²	24	40.9 Å²	40.9	13%	0.128	23%	0.227	C	C	.	.	S	Bend	trans	-138.1	167.5	178.9	-85.7	-75.8	0	0	0	110.3	Y436 S438 A562 L564 Y569 L570	Y436-N566 HydrophobicContact CD1-CB 3.73Å; Y436-N566 VanDerWaalsContact CD1-OD1 3.26Å; Y436-N566 WeakPolarHBondContact CD1-OD1 3.34Å; Y436-N566 HydrophobicContact CD2-CB 4.45Å; Y436-N566 HydrophobicContact CE1-CB 4.45Å; Y436-N566 HydrophobicContact CG-CB 3.75Å; Y436-N566 PolarHBondContact O-ND2 3.01Å; S438-N566 PolarHBondContact O-ND2 2.87Å; A562-N566 PolarHBondContact O-N 3.41Å; A562-N566 PolarHBondContact O-ND2 3.27Å; L564-N566 PolarHBondContact O-N 3.48Å; N566-Y569 PolarHBondContact O-N 2.86Å; N566-L570 CarbonylContact C-O 3.01Å; N566-L570 WeakPolarHBondContact CA-O 3.49Å; N566-L570 PolarHBondContact O-N 3.2Å
567	P	81.7	Confident	86.6	Confident	44 Å²	44	40.4 Å²	40.4	29%	0.286	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	143.3	175.7	-26.3	34.9	0	0	0	112.2	L570 K571	P567-L570 WeakPolarHBondContact CD-O 3.09Å; P567-K571 HydrophobicContact CB-CG 4.07Å; P567-K571 HydrophobicContact CG-CG 4.12Å
568	P	74.2	Confident	86.9	Confident	76 Å²	76	40.4 Å²	40.4	49%	0.494	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	cis	-85.2	-6.3	7.8	34.2	-36.3	0	0	0	115.1	Y574	P568-Y574 PolarHBondContact O-OH 2.95Å
569	Y	77.7	Confident	87.1	Confident	55 Å²	55	41.7 Å²	41.7	22%	0.216	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-36.9	-171.3	-55.4	-62.9	0	0	0	113.5	F545 L564 N566 Y574 M676	F545-Y569 HydrophobicContact CD2-CD1 4.35Å; F545-Y569 HydrophobicContact CD2-CD2 4.36Å; F545-Y569 AromaticContact CD2-CE1 3.78Å; F545-Y569 HydrophobicContact CD2-CE1 3.78Å; F545-Y569 AromaticContact CD2-CE2 3.75Å; F545-Y569 HydrophobicContact CD2-CE2 3.75Å; F545-Y569 AromaticContact CD2-CZ 3.4Å; F545-Y569 VanDerWaalsContact CD2-CZ 3.4Å; F545-Y569 WeakPolarHBondContact CD2-OH 3.48Å; F545-Y569 AromaticContact CE2-CD1 3.55Å; F545-Y569 HydrophobicContact CE2-CD1 3.55Å; F545-Y569 HydrophobicContact CE2-CD2 4.32Å; F545-Y569 AromaticContact CE2-CE1 3.06Å; F545-Y569 HydrophobicContact CE2-CE1 3.06Å; F545-Y569 AromaticContact CE2-CE2 3.9Å; F545-Y569 HydrophobicContact CE2-CE2 3.9Å; F545-Y569 HydrophobicContact CE2-CG 4.14Å; F545-Y569 AromaticContact CE2-CZ 3.24Å; F545-Y569 HydrophobicContact CZ-CD1 4.35Å; F545-Y569 AromaticContact CZ-CE1 3.72Å; F545-Y569 HydrophobicContact CZ-CE1 3.72Å; L564-Y569 HydrophobicContact CD1-CD1 4.43Å; L564-Y569 HydrophobicContact CD1-CD2 4.13Å; L564-Y569 HydrophobicContact CD1-CG 3.96Å; L564-Y569 VanDerWaalsContact O-CB 3.31Å; L564-Y569 WeakPolarHBondContact O-CB 3.41Å; N566-Y569 PolarHBondContact O-N 2.86Å; Y569-Y574 WeakPolarHBondContact O-CE2 3.12Å; Y569-M676 HydrophobicContact CD1-CG 4.2Å
570	L	85.3	Confident	87.5	Confident	13 Å²	13	40.7 Å²	40.7	7%	0.068	23%	0.226	C	C	.	.	S	Bend	trans	-135.9	110.4	174.9	-176.2	63.6	0	0	0	109.3	T443 L565 N566 P567 Y574 K579 I583	T443-L570 HydrophobicContact CG2-CD2 3.76Å; L565-L570 HydrophobicContact CB-CD2 4.28Å; L565-L570 HydrophobicContact CD2-CD2 4.32Å; N566-L570 CarbonylContact C-O 3.01Å; N566-L570 WeakPolarHBondContact CA-O 3.49Å; N566-L570 PolarHBondContact O-N 3.2Å; P567-L570 WeakPolarHBondContact CD-O 3.09Å; L570-Y574 HydrophobicContact CD1-CD2 4.01Å; L570-K579 HydrophobicContact CD1-CG 3.76Å; L570-I583 HydrophobicContact CD2-CG1 4.43Å
571	K	86.2	Confident	87.8	Confident	103 Å²	103	40.7 Å²	40.7	45%	0.448	23%	0.226	S	C	.	.			trans	-101.7	151.7	177.4	-55.1	-179.9	-173.2	170.8	0	110.8	P567 G573 Y574	P567-K571 HydrophobicContact CB-CG 4.07Å; P567-K571 HydrophobicContact CG-CG 4.12Å; K571-G573 PolarHBondContact O-N 2.99Å; K571-Y574 HydrophobicContact CB-CD1 3.74Å; K571-Y574 HydrophobicContact CB-CE1 3.5Å; K571-Y574 HydrophobicContact CB-CG 4.42Å; K571-Y574 HydrophobicContact CD-CE1 3.72Å; K571-Y574 HydrophobicContact CG-CD1 4.39Å; K571-Y574 HydrophobicContact CG-CE1 3.65Å; K571-Y574 PolarHBondContact O-N 3.36Å; K571-Y574 VanDerWaalsContact O-N 3.16Å
572	E	82.4	Confident	88	Confident	208 Å²	208	40.9 Å²	40.9	97%	0.972	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	127.9	166.7	-168.3	174.3	-174.7	0	0	109.1
573	G	87.7	Confident	88.2	Confident	75 Å²	75	40.9 Å²	40.9	77%	0.773	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	95	-4.3	-176.7	0	0	0	0	0	115.9	K571 S575	K571-G573 PolarHBondContact O-N 2.99Å; G573-S575 PolarHBondContact O-N 3.19Å
574	Y	91.5	Very high	88.9	Confident	46 Å²	46	40.3 Å²	40.3	18%	0.18	22%	0.221	C	C	.	.			trans	-56.9	133.8	170.3	-83.6	13.5	0	0	0	110.7	P568 Y569 L570 K571 E578 K579	P568-Y574 PolarHBondContact O-OH 2.95Å; Y569-Y574 WeakPolarHBondContact O-CE2 3.12Å; L570-Y574 HydrophobicContact CD1-CD2 4.01Å; K571-Y574 HydrophobicContact CB-CD1 3.74Å; K571-Y574 HydrophobicContact CB-CE1 3.5Å; K571-Y574 HydrophobicContact CB-CG 4.42Å; K571-Y574 HydrophobicContact CD-CE1 3.72Å; K571-Y574 HydrophobicContact CG-CD1 4.39Å; K571-Y574 HydrophobicContact CG-CE1 3.65Å; K571-Y574 PolarHBondContact O-N 3.36Å; K571-Y574 VanDerWaalsContact O-N 3.16Å; Y574-E578 WeakPolarHBondContact CA-OE2 3.32Å; Y574-E578 HydrophobicContact CD2-CB 3.93Å; Y574-E578 HydrophobicContact CG-CB 4.02Å; Y574-K579 WeakPolarHBondContact O-CE 3.25Å; Y574-K579 PolarHBondContact O-NZ 3.32Å
575	S	94.2	Very high	89.4	Confident	43 Å²	43	40.3 Å²	40.3	30%	0.301	22%	0.221	S	C	.	.			trans	-72.6	165.2	172.9	61	0	0	0	0	111.6	G573 S577 E578 K579	G573-S575 PolarHBondContact O-N 3.19Å; S575-S577 PolarHBondContact O-N 2.93Å; S575-S577 PolarHBondContact OG-OG 3.22Å; S575-E578 WeakPolarHBondContact CB-OE2 3.13Å; S575-E578 PolarHBondContact N-OE2 3.39Å; S575-E578 PolarHBondContact O-N 3.13Å; S575-E578 VanDerWaalsContact O-N 3.11Å; S575-E578 WeakPolarHBondContact OG-CG 3.38Å; S575-E578 PolarHBondContact OG-OE2 3.31Å; S575-K579 WeakPolarHBondContact O-CG 3.13Å; S575-K579 PolarHBondContact O-N 3.02Å
576	M	93.8	Very high	89.5	Confident	75 Å²	75	40.1 Å²	40.1	37%	0.369	22%	0.22	S	C	.	.	H	α-helix	trans	-60.8	-32	177.6	-66.6	-57	-80.8	0	0	112.2	M450 E578 K579 Y580 Y657	M450-M576 HydrophobicContact CG-CE 4.37Å; M576-E578 VanDerWaalsContact C-N 3.35Å; M576-E578 PolarHBondContact O-N 2.86Å; M576-K579 PolarHBondContact O-N 3.45Å; M576-K579 HydrophobicContact SD-CD 3.89Å; M576-Y580 HydrophobicContact CB-CD2 4.5Å; M576-Y580 HydrophobicContact CE-CD2 4.38Å; M576-Y580 HydrophobicContact CE-CE2 3.81Å; M576-Y580 WeakPolarHBondContact O-CB 3.19Å; M576-Y580 WeakPolarHBondContact O-CD2 3.4Å; M576-Y580 PolarHBondContact O-N 2.74Å; M576-Y657 HydrophobicContact CB-CD2 4.46Å; M576-Y657 HydrophobicContact CB-CE2 4.39Å
577	S	94.4	Very high	89.9	Confident	5 Å²	5	39 Å²	39	4%	0.035	21%	0.214	C	C	.	.	H	α-helix	trans	-62.8	-41.8	174.7	57.3	0	0	0	0	112.6	S575 G581 Y657 G665 L668 F669	S575-S577 PolarHBondContact O-N 2.93Å; S575-S577 PolarHBondContact OG-OG 3.22Å; S577-G581 PolarHBondContact O-N 3.32Å; S577-Y657 VanDerWaalsContact CB-CZ 3.41Å; S577-Y657 WeakPolarHBondContact CB-OH 3.19Å; S577-G665 WeakPolarHBondContact CB-O 3.32Å; S577-L668 WeakPolarHBondContact OG-CD2 3.28Å; S577-F669 WeakPolarHBondContact O-CA 3.26Å
578	E	93.8	Very high	90.5	Very high	39 Å²	39	36.9 Å²	36.9	18%	0.182	20%	0.2	C	C	.	.	H	α-helix	trans	-69.1	-44.4	179.6	-63.6	167.4	97.8	0	0	110.3	Y574 S575 M576 Y580 G581 T582 L668 S672	Y574-E578 WeakPolarHBondContact CA-OE2 3.32Å; Y574-E578 HydrophobicContact CD2-CB 3.93Å; Y574-E578 HydrophobicContact CG-CB 4.02Å; S575-E578 WeakPolarHBondContact CB-OE2 3.13Å; S575-E578 PolarHBondContact N-OE2 3.39Å; S575-E578 PolarHBondContact O-N 3.13Å; S575-E578 VanDerWaalsContact O-N 3.11Å; S575-E578 WeakPolarHBondContact OG-CG 3.38Å; S575-E578 PolarHBondContact OG-OE2 3.31Å; M576-E578 VanDerWaalsContact C-N 3.35Å; M576-E578 PolarHBondContact O-N 2.86Å; E578-Y580 PolarHBondContact O-N 3.26Å; E578-G581 CarbonylContact O-C 3.59Å; E578-G581 PolarHBondContact O-N 3.03Å; E578-T582 WeakPolarHBondContact O-CG2 3.45Å; E578-T582 PolarHBondContact O-N 3.48Å; E578-T582 PolarHBondContact O-OG1 3.32Å; E578-T582 VanDerWaalsContact O-OG1 3.07Å; E578-L668 HydrophobicContact CG-CD1 3.93Å; E578-L668 HydrophobicContact CG-CD2 3.7Å; E578-L668 HydrophobicContact CG-CG 3.61Å; E578-S672 WeakPolarHBondContact CA-OG 3.5Å; E578-S672 WeakPolarHBondContact CG-OG 3.48Å
579	K	95	Very high	91.3	Very high	27 Å²	27	33.9 Å²	33.9	12%	0.117	18%	0.179	C	C	.	.	H	α-helix	trans	-60.3	-45.6	177.8	-70.4	167	177	173.5	0	112.4	E446 M450 L570 Y574 S575 M576 T582 I583 G584	E446-K579 WeakPolarHBondContact OE1-CD 3.36Å; E446-K579 WeakPolarHBondContact OE1-CE 3.5Å; E446-K579 IonicContact OE1-NZ 2.67Å; E446-K579 PolarHBondContact OE1-NZ 2.98Å; E446-K579 IonicContact OE2-NZ 2.76Å; E446-K579 PolarHBondContact OE2-NZ 3.27Å; M450-K579 HydrophobicContact CE-CB 3.93Å; M450-K579 WeakPolarHBondContact CE-O 3.49Å; M450-K579 HydrophobicContact SD-CB 4.05Å; L570-K579 HydrophobicContact CD1-CG 3.76Å; Y574-K579 WeakPolarHBondContact O-CE 3.25Å; Y574-K579 PolarHBondContact O-NZ 3.32Å; S575-K579 WeakPolarHBondContact O-CG 3.13Å; S575-K579 PolarHBondContact O-N 3.02Å; M576-K579 PolarHBondContact O-N 3.45Å; M576-K579 HydrophobicContact SD-CD 3.89Å; K579-T582 PolarHBondContact O-N 3.13Å; K579-T582 PolarHBondContact O-OG1 2.92Å; K579-I583 PolarHBondContact O-N 3.25Å; K579-G584 PolarHBondContact O-N 3.08Å
580	Y	96	Very high	92	Very high	4 Å²	4	32 Å²	32	2%	0.016	17%	0.172	C	C	.	.	I	π-helix	trans	-67.3	-40.7	175.2	-87.6	-73.1	0	0	0	111.3	M450 E453 L454 M576 E578 T582 G584 W585 S653 T656 Y657 F669	M450-Y580 HydrophobicContact CB-CE1 4.48Å; M450-Y580 HydrophobicContact CE-CD1 4.06Å; M450-Y580 HydrophobicContact CE-CD2 4.31Å; M450-Y580 HydrophobicContact CE-CE1 4.16Å; M450-Y580 HydrophobicContact CE-CE2 4.44Å; M450-Y580 HydrophobicContact CE-CG 4.1Å; M450-Y580 HydrophobicContact CG-CE2 4.29Å; E453-Y580 WeakPolarHBondContact CB-OH 3.44Å; E453-Y580 PolarHBondContact OE2-OH 3.19Å; L454-Y580 HydrophobicContact CD1-CE1 4.47Å; L454-Y580 HydrophobicContact CD2-CE1 4.26Å; L454-Y580 HydrophobicContact CG-CE1 4.16Å; M576-Y580 HydrophobicContact CB-CD2 4.5Å; M576-Y580 HydrophobicContact CE-CD2 4.38Å; M576-Y580 HydrophobicContact CE-CE2 3.81Å; M576-Y580 WeakPolarHBondContact O-CB 3.19Å; M576-Y580 WeakPolarHBondContact O-CD2 3.4Å; M576-Y580 PolarHBondContact O-N 2.74Å; E578-Y580 PolarHBondContact O-N 3.26Å; Y580-T582 PolarHBondContact O-N 2.91Å; Y580-G584 CarbonylContact O-C 3.49Å; Y580-G584 VanDerWaalsContact O-CA 3.31Å; Y580-G584 WeakPolarHBondContact O-CA 3.43Å; Y580-G584 PolarHBondContact O-N 3.13Å; Y580-W585 PolarHBondContact O-N 3Å; Y580-W585 VanDerWaalsContact O-N 3.08Å; Y580-S653 PolarHBondContact O-OG 2.8Å; Y580-T656 HydrophobicContact CE1-CG2 3.61Å; Y580-T656 WeakPolarHBondContact OH-CG2 3.44Å; Y580-Y657 HydrophobicContact CD2-CD2 4.08Å; Y580-Y657 HydrophobicContact CD2-CG 4.39Å; Y580-Y657 HydrophobicContact CG-CG 4.5Å; Y580-F669 VanDerWaalsContact C-CE2 3.41Å
581	G	93.4	Very high	92.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.169	C	C	.	.	I	π-helix	trans	-61.9	-24.4	175	0	0	0	0	0	114.2	S577 E578 F669 F673	S577-G581 PolarHBondContact O-N 3.32Å; E578-G581 CarbonylContact O-C 3.59Å; E578-G581 PolarHBondContact O-N 3.03Å; G581-F669 VanDerWaalsContact N-CD2 3.28Å; G581-F673 VanDerWaalsContact O-CA 3.25Å; G581-F673 WeakPolarHBondContact O-CA 3.28Å; G581-F673 VanDerWaalsContact O-CB 3.29Å; G581-F673 WeakPolarHBondContact O-CB 3.47Å
582	T	91.9	Very high	92.4	Very high	4 Å²	4	26.5 Å²	26.5	3%	0.025	15%	0.148	C	C	.	.	I	π-helix	trans	-105.7	-80.3	178.2	61.1	0	0	0	0	112.8	E578 K579 Y580 G584 W585 F586 M676	E578-T582 WeakPolarHBondContact O-CG2 3.45Å; E578-T582 PolarHBondContact O-N 3.48Å; E578-T582 PolarHBondContact O-OG1 3.32Å; E578-T582 VanDerWaalsContact O-OG1 3.07Å; K579-T582 PolarHBondContact O-N 3.13Å; K579-T582 PolarHBondContact O-OG1 2.92Å; Y580-T582 PolarHBondContact O-N 2.91Å; T582-G584 PolarHBondContact O-N 3.27Å; T582-W585 PolarHBondContact O-N 3.38Å; T582-F586 WeakPolarHBondContact O-CD2 3.44Å; T582-F586 PolarHBondContact O-N 3.31Å; T582-M676 VanDerWaalsContact CA-SD 3.57Å; T582-M676 VanDerWaalsContact CB-SD 3.57Å; T582-M676 HydrophobicContact CG2-CB 4.05Å; T582-M676 HydrophobicContact CG2-CG 4.42Å; T582-M676 HydrophobicContact CG2-SD 3.83Å
583	I	92.5	Very high	92.6	Very high	1 Å²	1	20 Å²	20	1%	0.005	12%	0.115	C	C	.	.	I	π-helix	trans	-67.2	-37.7	-175.4	-54.8	-51.2	0	0	0	111.4	V447 M450 L564 L565 L570 K579 W585 F586 I587	V447-I583 HydrophobicContact CG1-CG2 4.33Å; M450-I583 HydrophobicContact CE-CB 4.4Å; L564-I583 HydrophobicContact CD2-CD1 4.25Å; L564-I583 HydrophobicContact CG-CD1 3.83Å; L564-I583 WeakPolarHBondContact O-CD1 3.43Å; L565-I583 HydrophobicContact CD2-CD1 3.78Å; L565-I583 HydrophobicContact CD2-CG1 3.99Å; L565-I583 HydrophobicContact CD2-CG2 3.96Å; L570-I583 HydrophobicContact CD2-CG1 4.43Å; K579-I583 PolarHBondContact O-N 3.25Å; I583-W585 VanDerWaalsContact C-N 3.3Å; I583-W585 PolarHBondContact O-N 3.31Å; I583-F586 WeakPolarHBondContact O-CB 3.38Å; I583-F586 PolarHBondContact O-N 3.46Å; I583-I587 HydrophobicContact CG2-CD1 3.91Å; I583-I587 HydrophobicContact CG2-CG1 4.45Å; I583-I587 WeakPolarHBondContact O-CG1 3.48Å; I583-I587 PolarHBondContact O-N 2.86Å
584	G	95.5	Very high	92.4	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.085	C	C	.	.	I	π-helix	trans	-59.7	-41.2	177	0	0	0	0	0	112.3	K579 Y580 T582 G588 S653	K579-G584 PolarHBondContact O-N 3.08Å; Y580-G584 CarbonylContact O-C 3.49Å; Y580-G584 VanDerWaalsContact O-CA 3.31Å; Y580-G584 WeakPolarHBondContact O-CA 3.43Å; Y580-G584 PolarHBondContact O-N 3.13Å; T582-G584 PolarHBondContact O-N 3.27Å; G584-G588 PolarHBondContact O-N 3.44Å; G584-S653 WeakPolarHBondContact CA-OG 3.07Å
585	W	94.4	Very high	91.9	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-61.7	-46.1	174	172.1	73.4	0	0	0	112.2	Y580 T582 I583 I587 G588 R589 D646 L650 S653 F673 M676 M677	Y580-W585 PolarHBondContact O-N 3Å; Y580-W585 VanDerWaalsContact O-N 3.08Å; T582-W585 PolarHBondContact O-N 3.38Å; I583-W585 VanDerWaalsContact C-N 3.3Å; I583-W585 PolarHBondContact O-N 3.31Å; W585-I587 PolarHBondContact O-N 3.46Å; W585-G588 PolarHBondContact O-N 3.03Å; W585-R589 WeakPolarHBondContact O-CB 3.45Å; W585-R589 PolarHBondContact O-N 2.86Å; W585-D646 HydrophobicContact CZ2-CB 4.33Å; W585-D646 WeakPolarHBondContact CZ2-OD1 3.27Å; W585-D646 PolarHBondContact NE1-O 3.03Å; W585-L650 HydrophobicContact CB-CD1 4.28Å; W585-L650 HydrophobicContact CG-CD1 4.16Å; W585-S653 PolarHBondContact N-OG 3.01Å; W585-F673 HydrophobicContact CB-CD2 4.36Å; W585-F673 AromaticContact CD1-CE2 3.87Å; W585-F673 HydrophobicContact CD2-CD2 4.02Å; W585-F673 AromaticContact CD2-CE2 3.56Å; W585-F673 HydrophobicContact CD2-CE2 3.56Å; W585-F673 AromaticContact CE2-CE2 3.43Å; W585-F673 VanDerWaalsContact CE2-CE2 3.43Å; W585-F673 HydrophobicContact CE3-CD2 4.49Å; W585-F673 HydrophobicContact CE3-CE2 4.13Å; W585-F673 AromaticContact CG-CD2 3.94Å; W585-F673 HydrophobicContact CG-CD2 3.94Å; W585-F673 AromaticContact CG-CE2 3.81Å; W585-F673 HydrophobicContact CG-CE2 3.81Å; W585-F673 HydrophobicContact CH2-CE2 4.33Å; W585-F673 AromaticContact CZ2-CE2 3.82Å; W585-F673 HydrophobicContact CZ2-CE2 3.82Å; W585-F673 HydrophobicContact CZ2-CZ 4.34Å; W585-F673 HydrophobicContact CZ3-CE2 4.47Å; W585-F673 AromaticContact NE1-CE2 3.65Å; W585-M676 HydrophobicContact CD2-CE 4.24Å; W585-M676 HydrophobicContact CE3-CE 3.41Å; W585-M676 VanDerWaalsContact CE3-CE 3.41Å; W585-M676 HydrophobicContact CZ3-CE 3.72Å; W585-M677 HydrophobicContact CH2-CE 4.02Å; W585-M677 HydrophobicContact CH2-SD 3.79Å; W585-M677 HydrophobicContact CZ3-SD 3.97Å
586	F	91.8	Very high	90.9	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-59.4	-45.3	179.2	-89.6	-63.6	0	0	0	112.6	F545 M546 P547 L564 T582 I583 Q590 M676	F545-F586 HydrophobicContact CD2-CZ 4.4Å; F545-F586 HydrophobicContact CE1-CZ 4.14Å; F545-F586 HydrophobicContact CE2-CE2 4.18Å; F545-F586 AromaticContact CE2-CZ 3.8Å; F545-F586 HydrophobicContact CE2-CZ 3.8Å; F545-F586 HydrophobicContact CZ-CE2 4.3Å; F545-F586 AromaticContact CZ-CZ 3.67Å; F545-F586 HydrophobicContact CZ-CZ 3.67Å; M546-F586 HydrophobicContact CE-CD1 4.28Å; M546-F586 HydrophobicContact CE-CE1 3.68Å; M546-F586 HydrophobicContact SD-CD1 3.79Å; M546-F586 HydrophobicContact SD-CE1 3.69Å; P547-F586 HydrophobicContact CG-CB 3.95Å; P547-F586 HydrophobicContact CG-CD1 4.05Å; P547-F586 HydrophobicContact CG-CG 4.25Å; L564-F586 HydrophobicContact CD1-CD2 4.07Å; L564-F586 HydrophobicContact CD1-CE2 3.53Å; L564-F586 HydrophobicContact CD1-CZ 3.99Å; L564-F586 HydrophobicContact CD2-CB 4.38Å; L564-F586 HydrophobicContact CD2-CD1 4.38Å; L564-F586 HydrophobicContact CD2-CD2 3.7Å; L564-F586 HydrophobicContact CD2-CE2 3.94Å; L564-F586 HydrophobicContact CD2-CG 3.92Å; L564-F586 HydrophobicContact CD2-CZ 4.37Å; L564-F586 HydrophobicContact CG-CD2 4.33Å; L564-F586 HydrophobicContact CG-CE2 4.26Å; T582-F586 WeakPolarHBondContact O-CD2 3.44Å; T582-F586 PolarHBondContact O-N 3.31Å; I583-F586 WeakPolarHBondContact O-CB 3.38Å; I583-F586 PolarHBondContact O-N 3.46Å; F586-Q590 WeakPolarHBondContact O-CG 3.41Å; F586-Q590 PolarHBondContact O-N 2.87Å; F586-M676 HydrophobicContact CD2-CE 4.31Å; F586-M676 HydrophobicContact CD2-SD 3.91Å; F586-M676 HydrophobicContact CE2-CE 3.88Å; F586-M676 HydrophobicContact CE2-CG 4.42Å; F586-M676 HydrophobicContact CE2-SD 3.36Å; F586-M676 WeakPolarHBondContact CE2-SD 3.3Å; F586-M676 HydrophobicContact CZ-CE 4.48Å; F586-M676 HydrophobicContact CZ-SD 4.3Å
587	I	94.5	Very high	89.6	Confident	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-64.5	-48.5	175.3	-67.1	166.3	0	0	0	110.2	V447 F451 L454 I560 I583 W585 R589 Q590 L591	V447-I587 HydrophobicContact CG1-CD1 4.42Å; F451-I587 HydrophobicContact CB-CD1 4.36Å; F451-I587 HydrophobicContact CD2-CG2 3.69Å; F451-I587 HydrophobicContact CE2-CG2 4.47Å; L454-I587 HydrophobicContact CD1-CB 3.68Å; L454-I587 HydrophobicContact CD1-CD1 4.25Å; L454-I587 HydrophobicContact CD1-CG2 3.47Å; L454-I587 VanDerWaalsContact CD1-CG2 3.47Å; I560-I587 HydrophobicContact CD1-CD1 4.02Å; I560-I587 HydrophobicContact CD1-CG1 3.58Å; I583-I587 HydrophobicContact CG2-CD1 3.91Å; I583-I587 HydrophobicContact CG2-CG1 4.45Å; I583-I587 WeakPolarHBondContact O-CG1 3.48Å; I583-I587 PolarHBondContact O-N 2.86Å; W585-I587 PolarHBondContact O-N 3.46Å; I587-R589 VanDerWaalsContact C-N 3.32Å; I587-R589 PolarHBondContact O-N 3.28Å; I587-Q590 PolarHBondContact O-N 3.11Å; I587-Q590 VanDerWaalsContact O-N 3.12Å; I587-L591 HydrophobicContact CG2-CD1 4.01Å; I587-L591 HydrophobicContact CG2-CG 4.44Å; I587-L591 PolarHBondContact O-N 2.82Å
588	G	94.6	Very high	87.9	Confident	0 Å²	0	15.8 Å²	15.8	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-57.6	-43	-179.6	0	0	0	0	0	112.4	G584 W585 Q590 L591 M592	G584-G588 PolarHBondContact O-N 3.44Å; W585-G588 PolarHBondContact O-N 3.03Å; G588-Q590 VanDerWaalsContact C-N 3.34Å; G588-Q590 PolarHBondContact O-N 3.01Å; G588-L591 PolarHBondContact O-N 3.19Å; G588-M592 WeakPolarHBondContact O-CB 3.41Å; G588-M592 VanDerWaalsContact O-CG 3.28Å; G588-M592 WeakPolarHBondContact O-CG 3.47Å; G588-M592 PolarHBondContact O-N 3.38Å
589	R	92	Very high	86	Confident	13 Å²	13	18.8 Å²	18.8	5%	0.049	9%	0.087	C	C	.	.	H	α-helix	trans	-55.5	-47.5	174.7	-179.4	-165	-178.1	125	17.7	111.5	W585 I587 M592 Y593 S642 A645 D646	W585-R589 WeakPolarHBondContact O-CB 3.45Å; W585-R589 PolarHBondContact O-N 2.86Å; I587-R589 VanDerWaalsContact C-N 3.32Å; I587-R589 PolarHBondContact O-N 3.28Å; R589-M592 PolarHBondContact O-N 3.01Å; R589-Y593 WeakPolarHBondContact O-CB 3.35Å; R589-Y593 PolarHBondContact O-N 3.46Å; R589-S642 PolarHBondContact NH2-O 3.41Å; R589-S642 PolarHBondContact NH2-OG 3.32Å; R589-A645 HydrophobicContact CG-CB 4.02Å; R589-D646 WeakPolarHBondContact CD-OD1 3.36Å; R589-D646 WeakPolarHBondContact CG-OD1 3.17Å; R589-D646 IonicContact CZ-OD1 3.83Å; R589-D646 IonicContact CZ-OD2 2.78Å; R589-D646 IonicContact NE-OD1 2.84Å; R589-D646 PolarHBondContact NE-OD1 3.19Å; R589-D646 VanDerWaalsContact NE-OD1 3.12Å; R589-D646 IonicContact NH1-OD1 2.61Å; R589-D646 PolarHBondContact NH1-OD1 3.48Å; R589-D646 IonicContact NH1-OD2 2.69Å; R589-D646 PolarHBondContact NH1-OD2 3.05Å; R589-D646 IonicContact NH2-OD1 3.27Å; R589-D646 PolarHBondContact NH2-OD1 3.31Å; R589-D646 IonicContact NH2-OD2 2.63Å; R589-D646 PolarHBondContact NH2-OD2 2.92Å
590	Q	90.7	Very high	83.8	Confident	16 Å²	16	19.7 Å²	19.7	8%	0.075	9%	0.092	C	C	.	.	H	α-helix	trans	-67.2	-43.7	-177.9	-63.1	-48.6	-55.4	0	0	112.1	P547 I549 I558 F586 I587 G588 M592 Y593 E594	P547-Q590 HydrophobicContact CB-CG 3.86Å; P547-Q590 PolarHBondContact O-NE2 2.94Å; I549-Q590 HydrophobicContact CD1-CB 3.88Å; I549-Q590 HydrophobicContact CG1-CB 4.4Å; I558-Q590 HydrophobicContact CD1-CB 3.89Å; I558-Q590 HydrophobicContact CG1-CB 4.16Å; I558-Q590 HydrophobicContact CG2-CB 4.19Å; I558-Q590 HydrophobicContact CG2-CG 4.14Å; F586-Q590 WeakPolarHBondContact O-CG 3.41Å; F586-Q590 PolarHBondContact O-N 2.87Å; I587-Q590 PolarHBondContact O-N 3.11Å; I587-Q590 VanDerWaalsContact O-N 3.12Å; G588-Q590 VanDerWaalsContact C-N 3.34Å; G588-Q590 PolarHBondContact O-N 3.01Å; Q590-M592 VanDerWaalsContact C-N 3.28Å; Q590-M592 PolarHBondContact O-N 3.39Å; Q590-Y593 PolarHBondContact O-N 2.88Å; Q590-E594 PolarHBondContact O-N 2.78Å
591	L	91.8	Very high	81.3	Confident	0 Å²	0	29 Å²	29	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-56.6	-46.3	174.3	-71.2	171.5	0	0	0	110.7	F451 L454 K455 L458 F483 I558 I587 G588 E594 V595 L652	F451-L591 HydrophobicContact CE2-CD2 4.23Å; L454-L591 HydrophobicContact CB-CD1 4.07Å; K455-L591 HydrophobicContact CG-CD1 4.41Å; K455-L591 HydrophobicContact CG-CD2 4.29Å; L458-L591 HydrophobicContact CD2-CB 4.08Å; L458-L591 HydrophobicContact CD2-CD1 4.44Å; L458-L591 HydrophobicContact CD2-CD2 4.5Å; F483-L591 HydrophobicContact CB-CD2 4.06Å; F483-L591 HydrophobicContact CD1-CD2 4.49Å; F483-L591 HydrophobicContact CD2-CD2 3.67Å; F483-L591 HydrophobicContact CE2-CD2 4.29Å; F483-L591 HydrophobicContact CG-CD2 3.81Å; I558-L591 HydrophobicContact CD1-CD2 3.84Å; I558-L591 HydrophobicContact CD1-CG 4Å; I587-L591 HydrophobicContact CG2-CD1 4.01Å; I587-L591 HydrophobicContact CG2-CG 4.44Å; I587-L591 PolarHBondContact O-N 2.82Å; G588-L591 PolarHBondContact O-N 3.19Å; L591-E594 PolarHBondContact O-N 2.84Å; L591-V595 VanDerWaalsContact O-CG2 3.28Å; L591-V595 WeakPolarHBondContact O-CG2 3.41Å; L591-V595 PolarHBondContact O-N 2.78Å; L591-V595 VanDerWaalsContact O-N 3.11Å; L591-L652 HydrophobicContact CB-CD2 4.4Å; L591-L652 HydrophobicContact CD1-CD2 4.16Å
592	M	89.6	Confident	78.6	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-69.2	-36.9	-179.5	-72.9	-43.8	-60.2	0	0	114.4	L458 G588 R589 Q590 E594 N596 N648 L652 L731 W732	L458-M592 HydrophobicContact CD1-SD 4.01Å; G588-M592 WeakPolarHBondContact O-CB 3.41Å; G588-M592 VanDerWaalsContact O-CG 3.28Å; G588-M592 WeakPolarHBondContact O-CG 3.47Å; G588-M592 PolarHBondContact O-N 3.38Å; R589-M592 PolarHBondContact O-N 3.01Å; Q590-M592 VanDerWaalsContact C-N 3.28Å; Q590-M592 PolarHBondContact O-N 3.39Å; M592-E594 VanDerWaalsContact C-N 3.29Å; M592-E594 PolarHBondContact O-N 3.33Å; M592-N596 VanDerWaalsContact CE-OD1 3.29Å; M592-N596 WeakPolarHBondContact CE-OD1 3.36Å; M592-N596 WeakPolarHBondContact O-CB 3.39Å; M592-N596 PolarHBondContact O-N 2.99Å; M592-N596 PolarHBondContact O-ND2 3.33Å; M592-N648 HydrophobicContact CB-CB 4.23Å; M592-N648 HydrophobicContact CE-CB 3.66Å; M592-N648 HydrophobicContact CG-CB 3.82Å; M592-N648 HydrophobicContact SD-CB 4.38Å; M592-L652 HydrophobicContact CG-CD2 4.4Å; M592-L652 HydrophobicContact SD-CD2 4.39Å; M592-L731 HydrophobicContact CE-CD2 4.3Å; M592-W732 HydrophobicContact CE-CH2 3.27Å; M592-W732 HydrophobicContact CE-CZ2 3.04Å; M592-W732 HydrophobicContact CE-CZ3 4.06Å; M592-W732 HydrophobicContact CG-CH2 4.32Å; M592-W732 HydrophobicContact SD-CH2 2.99Å; M592-W732 WeakPolarHBondContact SD-CH2 3.05Å; M592-W732 HydrophobicContact SD-CZ2 3.37Å; M592-W732 WeakPolarHBondContact SD-CZ2 3.38Å; M592-W732 HydrophobicContact SD-CZ3 3.89Å
593	Y	86.3	Confident	75.9	Confident	73 Å²	73	43.1 Å²	43.1	29%	0.286	21%	0.211	S	C	.	.	H	α-helix	trans	-57.6	-45.5	176.8	-173.9	-96.1	0	0	0	111.1	R589 Q590 N597 A645	R589-Y593 WeakPolarHBondContact O-CB 3.35Å; R589-Y593 PolarHBondContact O-N 3.46Å; Q590-Y593 PolarHBondContact O-N 2.88Å; Y593-N597 WeakPolarHBondContact CD1-ND2 3.41Å; Y593-N597 WeakPolarHBondContact CE1-ND2 3.31Å; Y593-N597 VanDerWaalsContact CE2-ND2 3.34Å; Y593-N597 WeakPolarHBondContact CE2-ND2 3.22Å; Y593-N597 VanDerWaalsContact O-CB 3.26Å; Y593-N597 WeakPolarHBondContact O-CB 3.39Å; Y593-N597 PolarHBondContact O-N 3.19Å; Y593-N597 PolarHBondContact O-ND2 3.44Å; Y593-A645 HydrophobicContact CD2-CB 3.94Å; Y593-A645 HydrophobicContact CG-CB 4.4Å
594	E	82.5	Confident	73.3	Confident	30 Å²	30	53.3 Å²	53.3	14%	0.14	26%	0.258	C	S	.	.	H	α-helix	trans	-78.7	-39.1	-177	-65.6	-65	133.4	0	0	113.9	F483 I549 K556 Q590 L591 M592 N596 N597 N598	F483-E594 HydrophobicContact CE1-CB 4.12Å; F483-E594 HydrophobicContact CE1-CG 3.9Å; F483-E594 HydrophobicContact CE2-CB 4.27Å; F483-E594 HydrophobicContact CZ-CB 3.38Å; F483-E594 HydrophobicContact CZ-CG 3.69Å; I549-E594 HydrophobicContact CD1-CG 3.21Å; I549-E594 HydrophobicContact CG1-CG 4.3Å; I549-E594 HydrophobicContact CG2-CG 4.5Å; K556-E594 HydrophobicContact CD-CG 4.35Å; K556-E594 WeakPolarHBondContact CE-OE2 3.49Å; K556-E594 IonicContact NZ-OE2 3.02Å; K556-E594 PolarHBondContact NZ-OE2 2.9Å; Q590-E594 PolarHBondContact O-N 2.78Å; L591-E594 PolarHBondContact O-N 2.84Å; M592-E594 VanDerWaalsContact C-N 3.29Å; M592-E594 PolarHBondContact O-N 3.33Å; E594-N596 PolarHBondContact O-N 3.27Å; E594-N597 PolarHBondContact O-N 3.04Å; E594-N598 PolarHBondContact O-N 3.43Å; E594-N598 PolarHBondContact O-OD1 2.84Å
595	V	81.1	Confident	70.3	Confident	4 Å²	4	55.9 Å²	55.9	2%	0.024	28%	0.284	C	S	.	.	H	α-helix	trans	-60.2	-39.4	175.7	170.4	0	0	0	0	110.2	L458 Y476 L479 L591	L458-V595 HydrophobicContact CD2-CG2 4.21Å; Y476-V595 HydrophobicContact CD1-CG1 3.9Å; Y476-V595 HydrophobicContact CE1-CG1 4.33Å; Y476-V595 WeakPolarHBondContact CE1-O 3.1Å; L479-V595 HydrophobicContact CD2-CG2 4.12Å; L591-V595 VanDerWaalsContact O-CG2 3.28Å; L591-V595 WeakPolarHBondContact O-CG2 3.41Å; L591-V595 PolarHBondContact O-N 2.78Å; L591-V595 VanDerWaalsContact O-N 3.11Å
596	N	73.7	Confident	67.5	Low	11 Å²	11	63 Å²	63	6%	0.059	32%	0.323	C	S	.	.	H	α-helix	trans	-78.8	-25.7	-177.2	-66.8	-5.4	0	0	0	114	M592 E594 S619 S644 L731	M592-N596 VanDerWaalsContact CE-OD1 3.29Å; M592-N596 WeakPolarHBondContact CE-OD1 3.36Å; M592-N596 WeakPolarHBondContact O-CB 3.39Å; M592-N596 PolarHBondContact O-N 2.99Å; M592-N596 PolarHBondContact O-ND2 3.33Å; E594-N596 PolarHBondContact O-N 3.27Å; N596-S619 PolarHBondContact O-OG 3.28Å; N596-S644 PolarHBondContact ND2-OG 3.16Å; N596-L731 VanDerWaalsContact OD1-CD2 3.32Å; N596-L731 WeakPolarHBondContact OD1-CD2 3.09Å
597	N	66.9	Low	65.4	Low	30 Å²	30	66.9 Å²	66.9	16%	0.16	35%	0.35	C	S	.	.	H	α-helix	trans	-96.3	-7.2	-173.1	-70.3	-23	0	0	0	114.7	Y593 E594 K599 R641	Y593-N597 WeakPolarHBondContact CD1-ND2 3.41Å; Y593-N597 WeakPolarHBondContact CE1-ND2 3.31Å; Y593-N597 VanDerWaalsContact CE2-ND2 3.34Å; Y593-N597 WeakPolarHBondContact CE2-ND2 3.22Å; Y593-N597 VanDerWaalsContact O-CB 3.26Å; Y593-N597 WeakPolarHBondContact O-CB 3.39Å; Y593-N597 PolarHBondContact O-N 3.19Å; Y593-N597 PolarHBondContact O-ND2 3.44Å; E594-N597 PolarHBondContact O-N 3.04Å; N597-K599 PolarHBondContact O-N 3.46Å; N597-R641 WeakPolarHBondContact OD1-CD 3.44Å
598	N	58.3	Low	63.1	Low	79 Å²	79	75.2 Å²	75.2	42%	0.422	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	5.1	-168.5	-111.3	23.8	0	0	0	116.3	L479 K556 E594	L479-N598 VanDerWaalsContact CD1-ND2 3.32Å; L479-N598 WeakPolarHBondContact CD1-ND2 3.09Å; L479-N598 HydrophobicContact CD2-CB 4.29Å; L479-N598 WeakPolarHBondContact CD2-ND2 3.36Å; K556-N598 PolarHBondContact NZ-OD1 3.08Å; E594-N598 PolarHBondContact O-N 3.43Å; E594-N598 PolarHBondContact O-OD1 2.84Å
599	K	52.7	Low	60.8	Low	102 Å²	102	79.6 Å²	79.6	44%	0.443	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.3	2.4	-177.3	-74.5	-171	170.7	-174.7	0	115.4	E472 Y476 N597 T617	E472-K599 IonicContact OE1-NZ 3.15Å; E472-K599 PolarHBondContact OE1-NZ 3.13Å; Y476-K599 VanDerWaalsContact OH-CE 3.29Å; Y476-K599 WeakPolarHBondContact OH-CE 3.45Å; N597-K599 PolarHBondContact O-N 3.46Å; K599-T617 HydrophobicContact CD-CG2 3.73Å
600	E	50.4	Low	59.2	Low	47 Å²	47	80 Å²	80	22%	0.22	42%	0.424	C	S	.	.			trans	-114.2	8.2	-163.9	-69.5	-174.9	111.2	0	0	117.4	D602 K637 R641	E600-D602 PolarHBondContact O-N 3.47Å; E600-D602 VanDerWaalsContact O-N 3.17Å; E600-K637 WeakPolarHBondContact OE1-CE 3.34Å; E600-K637 IonicContact OE1-NZ 3.69Å; E600-K637 PolarHBondContact OE1-NZ 3.2Å; E600-R641 IonicContact OE1-CZ 2.79Å; E600-R641 IonicContact OE1-NE 3.96Å; E600-R641 IonicContact OE1-NH2 3.14Å; E600-R641 PolarHBondContact OE1-NH2 3.47Å; E600-R641 IonicContact OE2-CZ 2.57Å; E600-R641 IonicContact OE2-NE 2.68Å; E600-R641 PolarHBondContact OE2-NE 3.09Å; E600-R641 IonicContact OE2-NH1 3.4Å; E600-R641 IonicContact OE2-NH2 3.12Å; E600-R641 PolarHBondContact OE2-NH2 3.12Å
601	E	42.7	Very low	58	Low	198 Å²	198	81.6 Å²	81.6	93%	0.925	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-9	178.8	-73.5	-169.1	159.4	0	0	114.6
602	D	36.8	Very low	56.1	Low	153 Å²	153	90 Å²	90	82%	0.818	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.3	-0.5	-169.5	-79.7	-21.8	0	0	0	117.2	E600	E600-D602 PolarHBondContact O-N 3.47Å; E600-D602 VanDerWaalsContact O-N 3.17Å
603	N	35.3	Very low	54.8	Low	149 Å²	149	92.2 Å²	92.2	80%	0.797	49%	0.493	S	S	*	.			trans	-136.1	96	-177.5	-88.2	-35.5	0	0	0	114.9	G605	N603-G605 PolarHBondContact O-N 2.96Å
604	H	36.8	Very low	53.5	Low	214 Å²	214	98.8 Å²	98.8	99%	0.991	53%	0.526	S	S	*	.			trans	-70.8	35.8	164.3	-78.5	-53.5	0	0	0	113.8
605	G	33.6	Very low	52.5	Low	54 Å²	54	105.8 Å²	105.8	56%	0.557	56%	0.559	S	S	*	*			trans	-83.3	146.9	179.6	0	0	0	0	0	113.5	N603 S607	N603-G605 PolarHBondContact O-N 2.96Å; G605-S607 PolarHBondContact O-N 2.9Å
606	N	35.4	Very low	51.4	Low	151 Å²	151	106.8 Å²	106.8	81%	0.807	57%	0.568	S	S	*	*			trans	-57.7	127.8	-173.3	-150.7	9.5	0	0	0	113.2	Q608 S609	N606-Q608 VanDerWaalsContact C-N 3.28Å; N606-Q608 PolarHBondContact O-N 2.77Å; N606-S609 PolarHBondContact O-OG 3.17Å
607	S	48.6	Very low	51.2	Low	81 Å²	81	107.4 Å²	107.4	57%	0.566	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	9.3	-159.5	-63.7	0	0	0	0	119.1	G605	G605-S607 PolarHBondContact O-N 2.9Å
608	Q	45	Very low	51.3	Low	174 Å²	174	108.7 Å²	108.7	81%	0.813	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.9	-17.3	-175.6	-134.2	166.6	-12.4	0	0	113.9	N606	N606-Q608 VanDerWaalsContact C-N 3.28Å; N606-Q608 PolarHBondContact O-N 2.77Å
609	S	47.8	Very low	52	Low	92 Å²	92	105.6 Å²	105.6	64%	0.643	56%	0.564	S	S	*	*	S	Bend	trans	-82.3	-17	-179.3	58.4	0	0	0	0	114.3	N606	N606-S609 PolarHBondContact O-OG 3.17Å
610	S	57.8	Low	53.1	Low	23 Å²	23	102.2 Å²	102.2	16%	0.161	55%	0.549	C	S	.	.	G	3₁₀ helix	trans	-74.2	-31.9	-177	155.8	0	0	0	0	112.5	M612 S613 A616 E620	S610-M612 PolarHBondContact O-N 3.49Å; S610-S613 PolarHBondContact O-N 3.04Å; S610-S613 PolarHBondContact O-OG 2.93Å; S610-A616 WeakPolarHBondContact O-CB 3.4Å; S610-E620 PolarHBondContact OG-OE1 3.01Å
611	C	64.3	Low	54.6	Low	48 Å²	48	102.4 Å²	102.4	32%	0.324	56%	0.559	S	S	.	*	G	3₁₀ helix	trans	-67.3	-9.9	-178.3	-70.5	0	0	0	0	116.4	C624	C611-C624 WeakPolarHBondContact CA-SG 3.49Å; C611-C624 HydrophobicContact CB-CB 3.64Å; C611-C624 WeakPolarHBondContact CB-SG 3.49Å; C611-C624 WeakPolarHBondContact SG-CB 3.45Å; C611-C624 CovalentContact SG-SG 2.02Å; C611-C624 PolarHBondContact SG-SG 3.43Å
612	M	53.4	Low	56.6	Low	178 Å²	178	93.2 Å²	93.2	88%	0.877	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-127	9.7	-177	-52.9	-156.7	98.7	0	0	113.1	S610	S610-M612 PolarHBondContact O-N 3.49Å
613	S	60.5	Low	58.9	Low	46 Å²	46	86.1 Å²	86.1	32%	0.322	48%	0.478	S	S	.	.			trans	-83.1	140.9	175.7	61.8	0	0	0	0	110.6	S610 E615 A616	S610-S613 PolarHBondContact O-N 3.04Å; S610-S613 PolarHBondContact O-OG 2.93Å; S613-E615 PolarHBondContact O-N 3.37Å; S613-E615 VanDerWaalsContact O-N 3.11Å; S613-A616 WeakPolarHBondContact O-CB 3.41Å; S613-A616 PolarHBondContact O-N 3.38Å; S613-A616 VanDerWaalsContact O-N 3.12Å; S613-A616 PolarHBondContact OG-N 2.92Å; S613-A616 VanDerWaalsContact OG-N 3.13Å
614	E	60.6	Low	61.4	Low	210 Å²	210	79.5 Å²	79.5	98%	0.981	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-11.4	166.3	-68.4	-178	172	0	0	112.2
615	E	60.1	Low	63.9	Low	177 Å²	177	71 Å²	71	83%	0.827	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-2.6	178.4	-61	179.6	168.7	0	0	113.2	S613 T617	S613-E615 PolarHBondContact O-N 3.37Å; S613-E615 VanDerWaalsContact O-N 3.11Å; E615-T617 PolarHBondContact O-N 3.24Å
616	A	58.6	Low	66.5	Low	25 Å²	25	68.5 Å²	68.5	21%	0.207	38%	0.381	C	S	.	.			trans	-61.6	129.9	-179.9	0	0	0	0	0	110.2	S610 S613 E620	S610-A616 WeakPolarHBondContact O-CB 3.4Å; S613-A616 WeakPolarHBondContact O-CB 3.41Å; S613-A616 PolarHBondContact O-N 3.38Å; S613-A616 VanDerWaalsContact O-N 3.12Å; S613-A616 PolarHBondContact OG-N 2.92Å; S613-A616 VanDerWaalsContact OG-N 3.13Å; A616-E620 WeakPolarHBondContact CA-OE2 3.43Å; A616-E620 HydrophobicContact CB-CB 4.24Å
617	T	68.9	Low	69	Low	25 Å²	25	63.7 Å²	63.7	15%	0.153	35%	0.354	C	S	.	.			trans	-65.6	152.1	171.5	55.7	0	0	0	0	110.3	K599 E615 S619 E620 A621	K599-T617 HydrophobicContact CD-CG2 3.73Å; E615-T617 PolarHBondContact O-N 3.24Å; T617-S619 PolarHBondContact O-N 3.03Å; T617-S619 VanDerWaalsContact O-N 3.12Å; T617-S619 PolarHBondContact OG1-OG 3.13Å; T617-S619 VanDerWaalsContact OG1-OG 3.07Å; T617-E620 PolarHBondContact N-OE2 2.93Å; T617-E620 CarbonylContact O-C 3.22Å; T617-E620 WeakPolarHBondContact O-CA 3.47Å; T617-E620 VanDerWaalsContact O-CB 3.31Å; T617-E620 WeakPolarHBondContact O-CB 3.44Å; T617-E620 PolarHBondContact O-N 3.24Å; T617-E620 VanDerWaalsContact OG1-CG 3.23Å; T617-E620 WeakPolarHBondContact OG1-CG 3.28Å; T617-E620 PolarHBondContact OG1-N 3.15Å; T617-E620 PolarHBondContact OG1-OE2 3.34Å; T617-A621 PolarHBondContact O-N 3.45Å
618	D	70.8	Confident	70.8	Confident	56 Å²	56	67.5 Å²	67.5	30%	0.299	36%	0.363	S	S	.	.	H	α-helix	trans	-59.7	-26.7	177.5	-73.1	20.4	0	0	0	112.8	W467 A621 Q622	W467-D618 HydrophobicContact CH2-CB 3.62Å; W467-D618 VanDerWaalsContact CH2-OD2 3.25Å; W467-D618 WeakPolarHBondContact CH2-OD2 3.33Å; W467-D618 HydrophobicContact CZ2-CB 4.01Å; W467-D618 WeakPolarHBondContact CZ2-OD2 3.48Å; W467-D618 HydrophobicContact CZ3-CB 3.95Å; W467-D618 VanDerWaalsContact CZ3-OD2 3.26Å; W467-D618 WeakPolarHBondContact CZ3-OD2 3.35Å; D618-A621 PolarHBondContact O-N 3.38Å; D618-Q622 PolarHBondContact O-N 2.71Å
619	S	72	Confident	72.8	Confident	15 Å²	15	60.6 Å²	60.6	11%	0.105	33%	0.331	C	S	.	.	H	α-helix	trans	-64.7	-45.6	168.5	57.3	0	0	0	0	111.7	N596 T617 A621 Q622 I623	N596-S619 PolarHBondContact O-OG 3.28Å; T617-S619 PolarHBondContact O-N 3.03Å; T617-S619 VanDerWaalsContact O-N 3.12Å; T617-S619 PolarHBondContact OG1-OG 3.13Å; T617-S619 VanDerWaalsContact OG1-OG 3.07Å; S619-A621 VanDerWaalsContact C-N 3.34Å; S619-A621 PolarHBondContact O-N 3.24Å; S619-Q622 PolarHBondContact O-N 2.96Å; S619-I623 WeakPolarHBondContact O-CG1 3.15Å; S619-I623 PolarHBondContact O-N 2.83Å
620	E	76.9	Confident	74.3	Confident	30 Å²	30	63.3 Å²	63.3	14%	0.14	34%	0.338	C	S	.	.	H	α-helix	trans	-59.9	-42.9	171.1	-70.5	168.6	127.1	0	0	111.7	S610 A616 T617 Q622 I623 C624 K637	S610-E620 PolarHBondContact OG-OE1 3.01Å; A616-E620 WeakPolarHBondContact CA-OE2 3.43Å; A616-E620 HydrophobicContact CB-CB 4.24Å; T617-E620 PolarHBondContact N-OE2 2.93Å; T617-E620 CarbonylContact O-C 3.22Å; T617-E620 WeakPolarHBondContact O-CA 3.47Å; T617-E620 VanDerWaalsContact O-CB 3.31Å; T617-E620 WeakPolarHBondContact O-CB 3.44Å; T617-E620 PolarHBondContact O-N 3.24Å; T617-E620 VanDerWaalsContact OG1-CG 3.23Å; T617-E620 WeakPolarHBondContact OG1-CG 3.28Å; T617-E620 PolarHBondContact OG1-N 3.15Å; T617-E620 PolarHBondContact OG1-OE2 3.34Å; E620-Q622 PolarHBondContact O-N 2.94Å; E620-I623 WeakPolarHBondContact O-CB 3.03Å; E620-I623 PolarHBondContact O-N 3.42Å; E620-I623 VanDerWaalsContact O-N 3.13Å; E620-C624 WeakPolarHBondContact O-CB 3.46Å; E620-C624 PolarHBondContact O-N 3.14Å; E620-C624 PolarHBondContact O-SG 2.84Å; E620-K637 IonicContact OE1-NZ 3.79Å
621	A	80	Confident	75.4	Confident	51 Å²	51	65.3 Å²	65.3	42%	0.421	35%	0.352	S	S	.	.	H	α-helix	trans	-59.7	-43.5	176.8	0	0	0	0	0	112.4	T617 D618 S619 C624 C625	T617-A621 PolarHBondContact O-N 3.45Å; D618-A621 PolarHBondContact O-N 3.38Å; S619-A621 VanDerWaalsContact C-N 3.34Å; S619-A621 PolarHBondContact O-N 3.24Å; A621-C624 PolarHBondContact O-N 3.44Å; A621-C625 PolarHBondContact O-N 3.27Å
622	Q	85.5	Confident	76.3	Confident	5 Å²	5	63 Å²	63	2%	0.023	34%	0.337	C	S	.	.	H	α-helix	trans	-63.6	-41.8	174.6	-168.6	-172.2	26.6	0	0	111.4	D618 S619 E620 C624 C625 L626 S644 N648 C729 L731	D618-Q622 PolarHBondContact O-N 2.71Å; S619-Q622 PolarHBondContact O-N 2.96Å; E620-Q622 PolarHBondContact O-N 2.94Å; Q622-C624 VanDerWaalsContact C-N 3.29Å; Q622-C624 PolarHBondContact O-N 3.48Å; Q622-C625 WeakPolarHBondContact O-CB 2.88Å; Q622-C625 PolarHBondContact O-N 3.42Å; Q622-L626 WeakPolarHBondContact O-CG 3.2Å; Q622-L626 PolarHBondContact O-N 3.37Å; Q622-S644 PolarHBondContact OE1-OG 3.08Å; Q622-N648 PolarHBondContact NE2-ND2 3.47Å; Q622-N648 PolarHBondContact NE2-OD1 3.06Å; Q622-N648 PolarHBondContact OE1-ND2 3.02Å; Q622-C729 HydrophobicContact CG-CB 4.18Å; Q622-C729 PolarHBondContact NE2-O 3.37Å; Q622-L731 HydrophobicContact CB-CD1 4.13Å
623	I	86.1	Confident	77.5	Confident	5 Å²	5	61.4 Å²	61.4	3%	0.026	33%	0.325	C	S	.	.	H	α-helix	trans	-60.7	-41.6	176.5	-66.1	-69.4	0	0	0	110.8	S619 E620 L626 Q627 K637 L640 R641	S619-I623 WeakPolarHBondContact O-CG1 3.15Å; S619-I623 PolarHBondContact O-N 2.83Å; E620-I623 WeakPolarHBondContact O-CB 3.03Å; E620-I623 PolarHBondContact O-N 3.42Å; E620-I623 VanDerWaalsContact O-N 3.13Å; I623-L626 WeakPolarHBondContact O-CB 3.47Å; I623-L626 PolarHBondContact O-N 3.16Å; I623-Q627 WeakPolarHBondContact O-CG 3.33Å; I623-Q627 PolarHBondContact O-N 3.43Å; I623-K637 HydrophobicContact CG2-CG 4.3Å; I623-L640 HydrophobicContact CD1-CB 3.65Å; I623-L640 VanDerWaalsContact CD1-O 3.24Å; I623-L640 WeakPolarHBondContact CD1-O 3.29Å; I623-L640 HydrophobicContact CG2-CB 4.03Å; I623-L640 HydrophobicContact CG2-CD1 4.15Å; I623-R641 HydrophobicContact CD1-CB 4.35Å; I623-R641 HydrophobicContact CD1-CG 3.94Å; I623-R641 VanDerWaalsContact CD1-N 3.27Å; I623-R641 HydrophobicContact CG1-CG 4.45Å
624	C	86.3	Confident	78.5	Confident	10 Å²	10	66.9 Å²	66.9	7%	0.068	35%	0.35	C	S	.	.	H	α-helix	trans	-67	-43.1	177.4	-59.5	0	0	0	0	111.6	C611 E620 A621 Q622 L626 Q627 E628	C611-C624 WeakPolarHBondContact CA-SG 3.49Å; C611-C624 HydrophobicContact CB-CB 3.64Å; C611-C624 WeakPolarHBondContact CB-SG 3.49Å; C611-C624 WeakPolarHBondContact SG-CB 3.45Å; C611-C624 CovalentContact SG-SG 2.02Å; C611-C624 PolarHBondContact SG-SG 3.43Å; E620-C624 WeakPolarHBondContact O-CB 3.46Å; E620-C624 PolarHBondContact O-N 3.14Å; E620-C624 PolarHBondContact O-SG 2.84Å; A621-C624 PolarHBondContact O-N 3.44Å; Q622-C624 VanDerWaalsContact C-N 3.29Å; Q622-C624 PolarHBondContact O-N 3.48Å; C624-L626 VanDerWaalsContact C-N 3.25Å; C624-L626 PolarHBondContact O-N 2.78Å; C624-Q627 WeakPolarHBondContact O-CB 3.45Å; C624-Q627 PolarHBondContact O-N 2.97Å; C624-Q627 VanDerWaalsContact O-N 3.08Å; C624-E628 WeakPolarHBondContact O-CG 3.03Å; C624-E628 PolarHBondContact O-N 3.28Å
625	C	89.8	Confident	79.3	Confident	36 Å²	36	60.2 Å²	60.2	24%	0.243	32%	0.317	C	S	.	.	H	α-helix	trans	-55.3	-42.4	171.3	178	0	0	0	0	111.6	A621 Q622 E628 C729	A621-C625 PolarHBondContact O-N 3.27Å; Q622-C625 WeakPolarHBondContact O-CB 2.88Å; Q622-C625 PolarHBondContact O-N 3.42Å; C625-E628 PolarHBondContact O-N 2.95Å; C625-C729 HydrophobicContact CB-CB 3.69Å; C625-C729 WeakPolarHBondContact CB-SG 3.31Å; C625-C729 PolarHBondContact O-SG 2.94Å; C625-C729 WeakPolarHBondContact SG-CA 3.38Å; C625-C729 WeakPolarHBondContact SG-CB 3.38Å; C625-C729 CovalentContact SG-SG 2.04Å; C625-C729 PolarHBondContact SG-SG 3.14Å
626	L	89.1	Confident	80.3	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-64.9	-44.2	175.9	-68.6	169.9	0	0	0	111.1	Q622 I623 C624 E628 Q629 F632 L640 L643 I647 C729	Q622-L626 WeakPolarHBondContact O-CG 3.2Å; Q622-L626 PolarHBondContact O-N 3.37Å; I623-L626 WeakPolarHBondContact O-CB 3.47Å; I623-L626 PolarHBondContact O-N 3.16Å; C624-L626 VanDerWaalsContact C-N 3.25Å; C624-L626 PolarHBondContact O-N 2.78Å; L626-E628 PolarHBondContact O-N 3.01Å; L626-Q629 WeakPolarHBondContact O-CB 3.39Å; L626-Q629 PolarHBondContact O-N 2.82Å; L626-Q629 VanDerWaalsContact O-N 3.08Å; L626-F632 HydrophobicContact CB-CD2 4.42Å; L626-F632 HydrophobicContact CD2-CD2 4.24Å; L626-F632 HydrophobicContact CD2-CE2 4.15Å; L626-F632 WeakPolarHBondContact O-CB 3.43Å; L626-L640 HydrophobicContact CB-CD2 4.06Å; L626-L643 HydrophobicContact CD1-CD2 4.22Å; L626-L643 HydrophobicContact CD1-CG 4.26Å; L626-L643 HydrophobicContact CD2-CD2 4.01Å; L626-I647 HydrophobicContact CD1-CD1 4.44Å; L626-I647 HydrophobicContact CD2-CD1 3.95Å; L626-C729 HydrophobicContact CD2-CB 3.77Å; L626-C729 HydrophobicContact CG-CB 3.93Å; L626-C729 PolarHBondContact N-SG 3.36Å
627	Q	87.2	Confident	81.3	Confident	50 Å²	50	55.9 Å²	55.9	23%	0.234	29%	0.294	C	S	.	.	H	α-helix	trans	-62.1	-28.6	178.5	-75.5	178.7	-50.7	0	0	114	I623 C624 Q629 L640	I623-Q627 WeakPolarHBondContact O-CG 3.33Å; I623-Q627 PolarHBondContact O-N 3.43Å; C624-Q627 WeakPolarHBondContact O-CB 3.45Å; C624-Q627 PolarHBondContact O-N 2.97Å; C624-Q627 VanDerWaalsContact O-N 3.08Å; Q627-Q629 PolarHBondContact O-N 2.94Å; Q627-L640 HydrophobicContact CG-CD1 3.21Å; Q627-L640 HydrophobicContact CG-CG 4.44Å
628	E	86.8	Confident	81.8	Confident	161 Å²	161	58.7 Å²	58.7	75%	0.752	31%	0.311	S	S	*	.	H	α-helix	trans	-72	-18.3	176.3	-73.4	179.3	177.6	0	0	112.9	C624 C625 L626	C624-E628 WeakPolarHBondContact O-CG 3.03Å; C624-E628 PolarHBondContact O-N 3.28Å; C625-E628 PolarHBondContact O-N 2.95Å; L626-E628 PolarHBondContact O-N 3.01Å
629	Q	85.9	Confident	82.3	Confident	30 Å²	30	57 Å²	57	14%	0.14	30%	0.302	C	S	.	.	S	Bend	trans	-76.5	132.5	176	-55.7	-165.9	-6.4	0	0	110.8	L626 Q627 S631 F632 K633 K706 H707 N727	L626-Q629 WeakPolarHBondContact O-CB 3.39Å; L626-Q629 PolarHBondContact O-N 2.82Å; L626-Q629 VanDerWaalsContact O-N 3.08Å; Q627-Q629 PolarHBondContact O-N 2.94Å; Q629-S631 PolarHBondContact O-N 3.14Å; Q629-F632 HydrophobicContact CB-CD2 3.97Å; Q629-F632 PolarHBondContact O-N 3.44Å; Q629-K633 PolarHBondContact O-N 3.47Å; Q629-K706 VanDerWaalsContact OE1-CE 3.3Å; Q629-H707 PolarHBondContact NE2-CE1 2.94Å; Q629-N727 PolarHBondContact NE2-O 3.15Å
630	D	80.5	Confident	83	Confident	148 Å²	148	56.3 Å²	56.3	79%	0.791	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-32.4	180	-73.4	-32.5	0	0	0	113.1	F632	D630-F632 PolarHBondContact O-N 3.31Å
631	S	80	Confident	83.3	Confident	66 Å²	66	57.6 Å²	57.6	46%	0.462	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-23.2	177.3	-53.6	0	0	0	0	114.3	Q629 Y635	Q629-S631 PolarHBondContact O-N 3.14Å; S631-Y635 WeakPolarHBondContact O-CE2 3.46Å
632	F	83.9	Confident	83.6	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.5	1.6	-168.6	-53	-47.8	0	0	0	114.6	L626 Q629 D630 D634 Y635 L640 L643 F699 E703	L626-F632 HydrophobicContact CB-CD2 4.42Å; L626-F632 HydrophobicContact CD2-CD2 4.24Å; L626-F632 HydrophobicContact CD2-CE2 4.15Å; L626-F632 WeakPolarHBondContact O-CB 3.43Å; Q629-F632 HydrophobicContact CB-CD2 3.97Å; Q629-F632 PolarHBondContact O-N 3.44Å; D630-F632 PolarHBondContact O-N 3.31Å; F632-D634 VanDerWaalsContact C-N 3.25Å; F632-D634 PolarHBondContact O-N 3.25Å; F632-D634 VanDerWaalsContact O-N 3.16Å; F632-Y635 HydrophobicContact CB-CD2 4.4Å; F632-Y635 HydrophobicContact CD1-CD2 4.38Å; F632-Y635 HydrophobicContact CD1-CE2 4.34Å; F632-Y635 WeakPolarHBondContact O-CB 3.48Å; F632-Y635 PolarHBondContact O-N 2.86Å; F632-L640 HydrophobicContact CB-CD2 3.91Å; F632-L643 HydrophobicContact CD1-CD2 4.23Å; F632-L643 HydrophobicContact CD2-CD2 4.15Å; F632-L643 HydrophobicContact CE1-CD2 3.86Å; F632-L643 HydrophobicContact CE2-CD2 3.75Å; F632-L643 HydrophobicContact CG-CD2 4.38Å; F632-L643 HydrophobicContact CZ-CD2 3.6Å; F632-F699 HydrophobicContact CD1-CD1 4.15Å; F632-F699 AromaticContact CD1-CE1 3.81Å; F632-F699 HydrophobicContact CD1-CE1 3.81Å; F632-F699 AromaticContact CE1-CD1 3.67Å; F632-F699 HydrophobicContact CE1-CD1 3.67Å; F632-F699 AromaticContact CE1-CE1 3.83Å; F632-F699 HydrophobicContact CE1-CE1 3.83Å; F632-E703 HydrophobicContact CE1-CB 4.33Å; F632-E703 HydrophobicContact CE1-CG 3.95Å; F632-E703 WeakPolarHBondContact CE1-OE1 3.29Å; F632-E703 HydrophobicContact CZ-CB 3.86Å; F632-E703 HydrophobicContact CZ-CG 3.7Å
633	K	79	Confident	83.7	Confident	143 Å²	143	56.5 Å²	56.5	62%	0.622	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-35.1	-174.1	-169.4	173.8	-175.6	170.9	0	114.6	Q629	Q629-K633 PolarHBondContact O-N 3.47Å
634	D	80	Confident	83.8	Confident	161 Å²	161	56.3 Å²	56.3	86%	0.861	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	1.7	-177.6	-64.4	-35.9	0	0	0	113.8	F632	F632-D634 VanDerWaalsContact C-N 3.25Å; F632-D634 PolarHBondContact O-N 3.25Å; F632-D634 VanDerWaalsContact O-N 3.16Å
635	Y	77.8	Confident	84	Confident	71 Å²	71	55.9 Å²	55.9	28%	0.278	29%	0.286	S	S	.	.			trans	-80.1	143.8	178.8	-76.8	-100.5	0	0	0	111.6	S631 F632 D639 K698 F699	S631-Y635 WeakPolarHBondContact O-CE2 3.46Å; F632-Y635 HydrophobicContact CB-CD2 4.4Å; F632-Y635 HydrophobicContact CD1-CD2 4.38Å; F632-Y635 HydrophobicContact CD1-CE2 4.34Å; F632-Y635 WeakPolarHBondContact O-CB 3.48Å; F632-Y635 PolarHBondContact O-N 2.86Å; Y635-D639 HydrophobicContact CD1-CB 3.87Å; Y635-K698 HydrophobicContact CD1-CD 4.46Å; Y635-K698 HydrophobicContact CE1-CB 4.05Å; Y635-K698 HydrophobicContact CE1-CD 4.06Å; Y635-K698 HydrophobicContact CE1-CG 4.35Å; Y635-F699 AromaticContact CD1-CE1 3.87Å; Y635-F699 HydrophobicContact CD1-CE1 3.87Å; Y635-F699 AromaticContact CD1-CZ 3.81Å; Y635-F699 HydrophobicContact CD1-CZ 3.81Å; Y635-F699 AromaticContact CE1-CE1 3.71Å; Y635-F699 HydrophobicContact CE1-CE1 3.71Å; Y635-F699 AromaticContact CE1-CZ 3.95Å; Y635-F699 HydrophobicContact CE1-CZ 3.95Å; Y635-F699 HydrophobicContact CE2-CE1 4.49Å; Y635-F699 HydrophobicContact CG-CE1 4.33Å; Y635-F699 HydrophobicContact CG-CZ 4.46Å
636	N	80.5	Confident	84	Confident	69 Å²	69	54.4 Å²	54.4	37%	0.369	28%	0.276	S	S	.	.			trans	-74.8	162.2	175.9	66.8	57.1	0	0	0	111.5	T638 D639 L640	N636-T638 VanDerWaalsContact C-N 3.27Å; N636-T638 PolarHBondContact O-N 3.47Å; N636-T638 WeakPolarHBondContact OD1-CA 3.35Å; N636-T638 WeakPolarHBondContact OD1-CB 3.12Å; N636-T638 PolarHBondContact OD1-N 2.81Å; N636-T638 VanDerWaalsContact OD1-N 3.1Å; N636-D639 PolarHBondContact ND2-OD2 2.99Å; N636-D639 PolarHBondContact O-N 3.16Å; N636-D639 VanDerWaalsContact O-N 3.16Å; N636-D639 VanDerWaalsContact OD1-CG 3.29Å; N636-D639 PolarHBondContact OD1-N 3.44Å; N636-D639 PolarHBondContact OD1-OD2 2.89Å; N636-L640 WeakPolarHBondContact O-CG 3.23Å; N636-L640 PolarHBondContact O-N 3.32Å
637	K	79.7	Confident	84.2	Confident	41 Å²	41	54.6 Å²	54.6	18%	0.178	28%	0.277	C	S	.	.	H	α-helix	trans	-58.3	-35.4	-178	-166.9	169.7	-178.4	-179.6	0	113.1	E600 E620 I623 L640 R641	E600-K637 WeakPolarHBondContact OE1-CE 3.34Å; E600-K637 IonicContact OE1-NZ 3.69Å; E600-K637 PolarHBondContact OE1-NZ 3.2Å; E620-K637 IonicContact OE1-NZ 3.79Å; I623-K637 HydrophobicContact CG2-CG 4.3Å; K637-L640 PolarHBondContact O-N 3.12Å; K637-R641 VanDerWaalsContact CE-NH2 3.26Å; K637-R641 WeakPolarHBondContact O-CG 3.29Å; K637-R641 PolarHBondContact O-N 3.29Å
638	T	79.8	Confident	84.4	Confident	84 Å²	84	52.2 Å²	52.2	52%	0.515	27%	0.266	S	S	.	.	H	α-helix	trans	-64.3	-42.5	178.3	-53.3	0	0	0	0	111.9	N636 L640 R641 S642	N636-T638 VanDerWaalsContact C-N 3.27Å; N636-T638 PolarHBondContact O-N 3.47Å; N636-T638 WeakPolarHBondContact OD1-CA 3.35Å; N636-T638 WeakPolarHBondContact OD1-CB 3.12Å; N636-T638 PolarHBondContact OD1-N 2.81Å; N636-T638 VanDerWaalsContact OD1-N 3.1Å; T638-L640 VanDerWaalsContact C-N 3.34Å; T638-R641 PolarHBondContact O-N 2.73Å; T638-S642 PolarHBondContact O-N 3.39Å; T638-S642 VanDerWaalsContact O-N 3.08Å
639	D	81.5	Confident	84.7	Confident	21 Å²	21	44.5 Å²	44.5	11%	0.112	23%	0.23	C	C	.	.	H	α-helix	trans	-64.5	-41.8	177	-67.6	-31.1	0	0	0	111.3	Y635 N636 S642 L643 K698 F699	Y635-D639 HydrophobicContact CD1-CB 3.87Å; N636-D639 PolarHBondContact ND2-OD2 2.99Å; N636-D639 PolarHBondContact O-N 3.16Å; N636-D639 VanDerWaalsContact O-N 3.16Å; N636-D639 VanDerWaalsContact OD1-CG 3.29Å; N636-D639 PolarHBondContact OD1-N 3.44Å; N636-D639 PolarHBondContact OD1-OD2 2.89Å; D639-S642 WeakPolarHBondContact O-CA 3.4Å; D639-S642 WeakPolarHBondContact O-CB 3.5Å; D639-S642 PolarHBondContact O-N 2.84Å; D639-S642 VanDerWaalsContact O-N 3.16Å; D639-L643 PolarHBondContact O-N 3.01Å; D639-K698 HydrophobicContact CB-CD 4.48Å; D639-K698 IonicContact OD1-NZ 2.74Å; D639-K698 PolarHBondContact OD1-NZ 2.9Å; D639-K698 IonicContact OD2-NZ 3.61Å; D639-K698 PolarHBondContact OD2-NZ 3.48Å; D639-F699 HydrophobicContact CB-CE2 4.43Å; D639-F699 HydrophobicContact CB-CZ 4.08Å; D639-F699 VanDerWaalsContact O-CE2 3.26Å; D639-F699 WeakPolarHBondContact O-CE2 3.27Å
640	L	86.5	Confident	85.2	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-68.3	-36.9	179.4	-62.9	162.1	0	0	0	112.1	I623 L626 Q627 F632 N636 K637 T638 S642 L643 S644	I623-L640 HydrophobicContact CD1-CB 3.65Å; I623-L640 VanDerWaalsContact CD1-O 3.24Å; I623-L640 WeakPolarHBondContact CD1-O 3.29Å; I623-L640 HydrophobicContact CG2-CB 4.03Å; I623-L640 HydrophobicContact CG2-CD1 4.15Å; L626-L640 HydrophobicContact CB-CD2 4.06Å; Q627-L640 HydrophobicContact CG-CD1 3.21Å; Q627-L640 HydrophobicContact CG-CG 4.44Å; F632-L640 HydrophobicContact CB-CD2 3.91Å; N636-L640 WeakPolarHBondContact O-CG 3.23Å; N636-L640 PolarHBondContact O-N 3.32Å; K637-L640 PolarHBondContact O-N 3.12Å; T638-L640 VanDerWaalsContact C-N 3.34Å; L640-S642 VanDerWaalsContact C-N 3.26Å; L640-S642 PolarHBondContact O-N 3.41Å; L640-L643 PolarHBondContact O-N 3.3Å; L640-S644 WeakPolarHBondContact O-CB 3.07Å; L640-S644 PolarHBondContact O-N 3.35Å
641	R	84.6	Confident	85.8	Confident	58 Å²	58	37.3 Å²	37.3	22%	0.219	19%	0.192	C	C	.	.	H	α-helix	trans	-60.9	-39.2	171	-75	174.3	-175.2	150.6	8.3	111.1	N597 E600 I623 K637 T638 S644 A645	N597-R641 WeakPolarHBondContact OD1-CD 3.44Å; E600-R641 IonicContact OE1-CZ 2.79Å; E600-R641 IonicContact OE1-NE 3.96Å; E600-R641 IonicContact OE1-NH2 3.14Å; E600-R641 PolarHBondContact OE1-NH2 3.47Å; E600-R641 IonicContact OE2-CZ 2.57Å; E600-R641 IonicContact OE2-NE 2.68Å; E600-R641 PolarHBondContact OE2-NE 3.09Å; E600-R641 IonicContact OE2-NH1 3.4Å; E600-R641 IonicContact OE2-NH2 3.12Å; E600-R641 PolarHBondContact OE2-NH2 3.12Å; I623-R641 HydrophobicContact CD1-CB 4.35Å; I623-R641 HydrophobicContact CD1-CG 3.94Å; I623-R641 VanDerWaalsContact CD1-N 3.27Å; I623-R641 HydrophobicContact CG1-CG 4.45Å; K637-R641 VanDerWaalsContact CE-NH2 3.26Å; K637-R641 WeakPolarHBondContact O-CG 3.29Å; K637-R641 PolarHBondContact O-N 3.29Å; T638-R641 PolarHBondContact O-N 2.73Å; R641-S644 PolarHBondContact O-N 3.22Å; R641-A645 PolarHBondContact O-N 3.13Å
642	S	84.5	Confident	86.5	Confident	32 Å²	32	34.3 Å²	34.3	22%	0.224	17%	0.171	C	C	.	.	H	α-helix	trans	-63.2	-43	174.7	-155.5	0	0	0	0	112.1	R589 T638 D639 L640 A645 D646	R589-S642 PolarHBondContact NH2-O 3.41Å; R589-S642 PolarHBondContact NH2-OG 3.32Å; T638-S642 PolarHBondContact O-N 3.39Å; T638-S642 VanDerWaalsContact O-N 3.08Å; D639-S642 WeakPolarHBondContact O-CA 3.4Å; D639-S642 WeakPolarHBondContact O-CB 3.5Å; D639-S642 PolarHBondContact O-N 2.84Å; D639-S642 VanDerWaalsContact O-N 3.16Å; L640-S642 VanDerWaalsContact C-N 3.26Å; L640-S642 PolarHBondContact O-N 3.41Å; S642-A645 PolarHBondContact O-N 2.89Å; S642-D646 PolarHBondContact O-N 3.25Å; S642-D646 VanDerWaalsContact O-N 3.12Å
643	L	88.1	Confident	87.1	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-66.3	-41.1	174.6	-179.9	56.5	0	0	0	112.5	L626 F632 D639 L640 A645 D646 I647 F699 I704	L626-L643 HydrophobicContact CD1-CD2 4.22Å; L626-L643 HydrophobicContact CD1-CG 4.26Å; L626-L643 HydrophobicContact CD2-CD2 4.01Å; F632-L643 HydrophobicContact CD1-CD2 4.23Å; F632-L643 HydrophobicContact CD2-CD2 4.15Å; F632-L643 HydrophobicContact CE1-CD2 3.86Å; F632-L643 HydrophobicContact CE2-CD2 3.75Å; F632-L643 HydrophobicContact CG-CD2 4.38Å; F632-L643 HydrophobicContact CZ-CD2 3.6Å; D639-L643 PolarHBondContact O-N 3.01Å; L640-L643 PolarHBondContact O-N 3.3Å; L643-A645 VanDerWaalsContact C-N 3.31Å; L643-A645 PolarHBondContact O-N 3.11Å; L643-D646 WeakPolarHBondContact O-CB 3.44Å; L643-D646 PolarHBondContact O-N 3.36Å; L643-D646 VanDerWaalsContact O-N 3.1Å; L643-I647 HydrophobicContact CD1-CD1 4.08Å; L643-I647 HydrophobicContact CD1-CG1 4.19Å; L643-I647 HydrophobicContact CG-CD1 3.89Å; L643-I647 HydrophobicContact CG-CG1 4.47Å; L643-I647 WeakPolarHBondContact O-CG1 2.79Å; L643-I647 PolarHBondContact O-N 3.3Å; L643-F699 HydrophobicContact CB-CD2 3.79Å; L643-F699 HydrophobicContact CB-CE1 4.41Å; L643-F699 HydrophobicContact CB-CE2 3.61Å; L643-F699 HydrophobicContact CB-CG 4.28Å; L643-F699 HydrophobicContact CB-CZ 3.92Å; L643-F699 HydrophobicContact CD1-CB 3.94Å; L643-F699 HydrophobicContact CD1-CD1 4.29Å; L643-F699 HydrophobicContact CD1-CD2 4Å; L643-F699 HydrophobicContact CD1-CG 3.8Å; L643-F699 HydrophobicContact CD2-CD1 3.92Å; L643-F699 HydrophobicContact CD2-CE1 3.89Å; L643-F699 HydrophobicContact CD2-CG 4.23Å; L643-F699 HydrophobicContact CD2-CZ 4.21Å; L643-F699 HydrophobicContact CG-CD1 4.49Å; L643-F699 HydrophobicContact CG-CD2 4.31Å; L643-F699 HydrophobicContact CG-CE2 4.47Å; L643-F699 HydrophobicContact CG-CG 4.32Å; L643-I704 HydrophobicContact CD1-CG1 4.02Å
644	S	89.3	Confident	87.9	Confident	2 Å²	2	28.1 Å²	28.1	1%	0.014	14%	0.144	C	C	.	.	H	α-helix	trans	-57.6	-45.7	174	165.6	0	0	0	0	110.8	N596 Q622 L640 R641 D646 I647 N648	N596-S644 PolarHBondContact ND2-OG 3.16Å; Q622-S644 PolarHBondContact OE1-OG 3.08Å; L640-S644 WeakPolarHBondContact O-CB 3.07Å; L640-S644 PolarHBondContact O-N 3.35Å; R641-S644 PolarHBondContact O-N 3.22Å; S644-D646 VanDerWaalsContact C-N 3.27Å; S644-D646 PolarHBondContact O-N 2.83Å; S644-I647 PolarHBondContact O-N 3.45Å; S644-N648 WeakPolarHBondContact O-CB 3.49Å; S644-N648 PolarHBondContact O-N 2.97Å; S644-N648 PolarHBondContact O-ND2 2.93Å; S644-N648 PolarHBondContact OG-ND2 3.13Å
645	A	89.4	Confident	88.6	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-61.2	-36.4	175.2	0	0	0	0	0	112.4	R589 Y593 R641 S642 L643 G649	R589-A645 HydrophobicContact CG-CB 4.02Å; Y593-A645 HydrophobicContact CD2-CB 3.94Å; Y593-A645 HydrophobicContact CG-CB 4.4Å; R641-A645 PolarHBondContact O-N 3.13Å; S642-A645 PolarHBondContact O-N 2.89Å; L643-A645 VanDerWaalsContact C-N 3.31Å; L643-A645 PolarHBondContact O-N 3.11Å; A645-G649 WeakPolarHBondContact O-CA 3.25Å; A645-G649 PolarHBondContact O-N 3.29Å
646	D	90.4	Very high	89.4	Confident	6 Å²	6	22 Å²	22	3%	0.032	11%	0.112	C	C	.	.	H	α-helix	trans	-66.8	-46.1	177	-78.8	-30	0	0	0	113.8	W585 R589 S642 L643 S644 L650 I704	W585-D646 HydrophobicContact CZ2-CB 4.33Å; W585-D646 WeakPolarHBondContact CZ2-OD1 3.27Å; W585-D646 PolarHBondContact NE1-O 3.03Å; R589-D646 WeakPolarHBondContact CD-OD1 3.36Å; R589-D646 WeakPolarHBondContact CG-OD1 3.17Å; R589-D646 IonicContact CZ-OD1 3.83Å; R589-D646 IonicContact CZ-OD2 2.78Å; R589-D646 IonicContact NE-OD1 2.84Å; R589-D646 PolarHBondContact NE-OD1 3.19Å; R589-D646 VanDerWaalsContact NE-OD1 3.12Å; R589-D646 IonicContact NH1-OD1 2.61Å; R589-D646 PolarHBondContact NH1-OD1 3.48Å; R589-D646 IonicContact NH1-OD2 2.69Å; R589-D646 PolarHBondContact NH1-OD2 3.05Å; R589-D646 IonicContact NH2-OD1 3.27Å; R589-D646 PolarHBondContact NH2-OD1 3.31Å; R589-D646 IonicContact NH2-OD2 2.63Å; R589-D646 PolarHBondContact NH2-OD2 2.92Å; S642-D646 PolarHBondContact O-N 3.25Å; S642-D646 VanDerWaalsContact O-N 3.12Å; L643-D646 WeakPolarHBondContact O-CB 3.44Å; L643-D646 PolarHBondContact O-N 3.36Å; L643-D646 VanDerWaalsContact O-N 3.1Å; S644-D646 VanDerWaalsContact C-N 3.27Å; S644-D646 PolarHBondContact O-N 2.83Å; D646-L650 WeakPolarHBondContact O-CB 3.37Å; D646-L650 PolarHBondContact O-N 3.44Å; D646-L650 VanDerWaalsContact O-N 3.13Å; D646-I704 HydrophobicContact CB-CD1 3.83Å; D646-I704 HydrophobicContact CB-CG1 4.1Å
647	I	92.6	Very high	90.1	Very high	3 Å²	3	19.8 Å²	19.8	2%	0.015	10%	0.099	C	C	.	.	H	α-helix	trans	-62.7	-56.1	178	-67.3	164	0	0	0	109.6	L626 L643 S644 G649 L650 M651 I704 H707 L730	L626-I647 HydrophobicContact CD1-CD1 4.44Å; L626-I647 HydrophobicContact CD2-CD1 3.95Å; L643-I647 HydrophobicContact CD1-CD1 4.08Å; L643-I647 HydrophobicContact CD1-CG1 4.19Å; L643-I647 HydrophobicContact CG-CD1 3.89Å; L643-I647 HydrophobicContact CG-CG1 4.47Å; L643-I647 WeakPolarHBondContact O-CG1 2.79Å; L643-I647 PolarHBondContact O-N 3.3Å; S644-I647 PolarHBondContact O-N 3.45Å; I647-G649 VanDerWaalsContact C-N 3.34Å; I647-G649 PolarHBondContact O-N 3.46Å; I647-L650 PolarHBondContact O-N 3.45Å; I647-M651 HydrophobicContact CG2-SD 4.21Å; I647-M651 WeakPolarHBondContact O-CG 3.33Å; I647-M651 PolarHBondContact O-N 3.23Å; I647-M651 VanDerWaalsContact O-N 3.14Å; I647-I704 HydrophobicContact CG1-CG2 4.29Å; I647-H707 HydrophobicContact CD1-CB 4.25Å; I647-H707 HydrophobicContact CG1-CB 4.3Å; I647-H707 HydrophobicContact CG2-CB 3.72Å; I647-L730 HydrophobicContact CG2-CD2 3.91Å
648	N	91.9	Very high	90.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-71.1	-32.6	-174.4	-61	-60.1	0	0	0	111.9	M592 Q622 S644 M651 L652 L731	M592-N648 HydrophobicContact CB-CB 4.23Å; M592-N648 HydrophobicContact CE-CB 3.66Å; M592-N648 HydrophobicContact CG-CB 3.82Å; M592-N648 HydrophobicContact SD-CB 4.38Å; Q622-N648 PolarHBondContact NE2-ND2 3.47Å; Q622-N648 PolarHBondContact NE2-OD1 3.06Å; Q622-N648 PolarHBondContact OE1-ND2 3.02Å; S644-N648 WeakPolarHBondContact O-CB 3.49Å; S644-N648 PolarHBondContact O-N 2.97Å; S644-N648 PolarHBondContact O-ND2 2.93Å; S644-N648 PolarHBondContact OG-ND2 3.13Å; N648-M651 PolarHBondContact O-N 3Å; N648-L652 WeakPolarHBondContact O-CB 3.49Å; N648-L652 PolarHBondContact O-N 3.4Å; N648-L731 VanDerWaalsContact OD1-CB 3.22Å; N648-L731 WeakPolarHBondContact OD1-CB 3.39Å; N648-L731 PolarHBondContact OD1-N 2.93Å
649	G	93.7	Very high	90.3	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-64.2	-39.2	175.4	0	0	0	0	0	112.6	A645 I647 S653	A645-G649 WeakPolarHBondContact O-CA 3.25Å; A645-G649 PolarHBondContact O-N 3.29Å; I647-G649 VanDerWaalsContact C-N 3.34Å; I647-G649 PolarHBondContact O-N 3.46Å; G649-S653 WeakPolarHBondContact O-CB 3.45Å; G649-S653 PolarHBondContact O-N 3.42Å
650	L	94.7	Very high	89.9	Confident	3 Å²	3	25 Å²	25	2%	0.016	14%	0.135	C	C	.	.	H	α-helix	trans	-65.2	-42.6	173.4	-171.3	67.5	0	0	0	111.9	W585 D646 I647 S653 F654 F669 F670 F673 I704 L705	W585-L650 HydrophobicContact CB-CD1 4.28Å; W585-L650 HydrophobicContact CG-CD1 4.16Å; D646-L650 WeakPolarHBondContact O-CB 3.37Å; D646-L650 PolarHBondContact O-N 3.44Å; D646-L650 VanDerWaalsContact O-N 3.13Å; I647-L650 PolarHBondContact O-N 3.45Å; L650-S653 PolarHBondContact O-N 3.04Å; L650-F654 WeakPolarHBondContact O-CB 3.34Å; L650-F654 PolarHBondContact O-N 3.4Å; L650-F669 HydrophobicContact CD1-CE1 3.73Å; L650-F669 HydrophobicContact CD1-CZ 3.79Å; L650-F669 HydrophobicContact CG-CE1 4.32Å; L650-F670 HydrophobicContact CD2-CE1 4.28Å; L650-F673 HydrophobicContact CD1-CB 4.31Å; L650-F673 HydrophobicContact CD1-CD1 4.07Å; L650-F673 HydrophobicContact CD1-CD2 3.86Å; L650-F673 HydrophobicContact CD1-CE1 4.37Å; L650-F673 HydrophobicContact CD1-CE2 4.23Å; L650-F673 HydrophobicContact CD1-CG 3.79Å; L650-F673 HydrophobicContact CD1-CZ 4.46Å; L650-F673 HydrophobicContact CD2-CD1 4.06Å; L650-F673 HydrophobicContact CD2-CE1 3.88Å; L650-F673 HydrophobicContact CD2-CZ 4.33Å; L650-I704 HydrophobicContact CB-CG2 4.45Å; L650-I704 HydrophobicContact CD2-CG2 3.86Å; L650-L705 HydrophobicContact CD2-CD2 3.57Å
651	M	93.9	Very high	89.5	Confident	24 Å²	24	25.5 Å²	25.5	12%	0.118	14%	0.14	C	C	.	.	H	α-helix	trans	-66	-43.1	178.2	-67.1	175.7	82.6	0	0	112.3	I647 N648 S653 F654 K655 L730	I647-M651 HydrophobicContact CG2-SD 4.21Å; I647-M651 WeakPolarHBondContact O-CG 3.33Å; I647-M651 PolarHBondContact O-N 3.23Å; I647-M651 VanDerWaalsContact O-N 3.14Å; N648-M651 PolarHBondContact O-N 3Å; M651-S653 VanDerWaalsContact C-N 3.29Å; M651-S653 PolarHBondContact O-N 3.27Å; M651-F654 PolarHBondContact O-N 3.14Å; M651-K655 VanDerWaalsContact O-CB 3.29Å; M651-K655 WeakPolarHBondContact O-CB 3.44Å; M651-K655 PolarHBondContact O-N 3.28Å; M651-L730 HydrophobicContact CE-CD1 3.8Å; M651-L730 HydrophobicContact CE-CD2 3.67Å; M651-L730 HydrophobicContact CE-CG 4.25Å; M651-L730 HydrophobicContact SD-CD2 3.27Å; M651-L730 WeakPolarHBondContact SD-CD2 3.28Å; M651-L730 HydrophobicContact SD-CG 4.38Å
652	L	94.5	Very high	89.7	Confident	2 Å²	2	27.6 Å²	27.6	1%	0.01	16%	0.156	C	C	.	.	H	α-helix	trans	-58.2	-45.7	174.3	176.2	59.9	0	0	0	110.6	L454 T457 L458 L591 M592 N648 K655 T656 W732	L454-L652 HydrophobicContact CD2-CG 4.08Å; T457-L652 HydrophobicContact CG2-CD1 3.96Å; L458-L652 HydrophobicContact CB-CD1 3.88Å; L458-L652 HydrophobicContact CB-CD2 4.11Å; L458-L652 HydrophobicContact CD1-CD2 4.43Å; L458-L652 HydrophobicContact CD2-CD2 4.46Å; L591-L652 HydrophobicContact CB-CD2 4.4Å; L591-L652 HydrophobicContact CD1-CD2 4.16Å; M592-L652 HydrophobicContact CG-CD2 4.4Å; M592-L652 HydrophobicContact SD-CD2 4.39Å; N648-L652 WeakPolarHBondContact O-CB 3.49Å; N648-L652 PolarHBondContact O-N 3.4Å; L652-K655 PolarHBondContact O-N 3.08Å; L652-T656 WeakPolarHBondContact O-CB 3.16Å; L652-T656 PolarHBondContact O-N 3.21Å; L652-T656 PolarHBondContact O-OG1 3.06Å; L652-W732 HydrophobicContact CB-CZ3 4.39Å
653	S	96	Very high	90	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.9	-45.7	178.3	-170.2	0	0	0	0	112.9	Y580 G584 W585 G649 L650 M651 T656 Y657	Y580-S653 PolarHBondContact O-OG 2.8Å; G584-S653 WeakPolarHBondContact CA-OG 3.07Å; W585-S653 PolarHBondContact N-OG 3.01Å; G649-S653 WeakPolarHBondContact O-CB 3.45Å; G649-S653 PolarHBondContact O-N 3.42Å; L650-S653 PolarHBondContact O-N 3.04Å; M651-S653 VanDerWaalsContact C-N 3.29Å; M651-S653 PolarHBondContact O-N 3.27Å; S653-T656 PolarHBondContact O-N 2.73Å; S653-Y657 PolarHBondContact O-N 3.28Å; S653-Y657 VanDerWaalsContact O-N 3.16Å
654	F	96	Very high	90.1	Very high	14 Å²	14	35.9 Å²	35.9	6%	0.061	20%	0.197	C	C	.	.	H	α-helix	trans	-62.3	-46.3	176.5	-176.6	-98	0	0	0	111.4	L650 M651 T656 Y657 A658 K666 F669 F670 E710 I714	L650-F654 WeakPolarHBondContact O-CB 3.34Å; L650-F654 PolarHBondContact O-N 3.4Å; M651-F654 PolarHBondContact O-N 3.14Å; F654-T656 VanDerWaalsContact C-N 3.27Å; F654-T656 PolarHBondContact O-N 3.4Å; F654-Y657 PolarHBondContact O-N 3.17Å; F654-Y657 VanDerWaalsContact O-N 3.14Å; F654-A658 HydrophobicContact CD1-CB 3.92Å; F654-A658 HydrophobicContact CE1-CB 3.53Å; F654-A658 HydrophobicContact CE2-CB 4.33Å; F654-A658 HydrophobicContact CG-CB 4.45Å; F654-A658 HydrophobicContact CZ-CB 3.77Å; F654-A658 WeakPolarHBondContact O-CA 3.11Å; F654-A658 WeakPolarHBondContact O-CB 3.44Å; F654-A658 PolarHBondContact O-N 2.77Å; F654-K666 HydrophobicContact CE2-CB 4.21Å; F654-K666 HydrophobicContact CE2-CG 3.96Å; F654-K666 HydrophobicContact CZ-CB 4.41Å; F654-K666 HydrophobicContact CZ-CD 4.2Å; F654-K666 HydrophobicContact CZ-CG 3.93Å; F654-F669 HydrophobicContact CB-CE1 3.81Å; F654-F669 HydrophobicContact CB-CE2 4.3Å; F654-F669 HydrophobicContact CB-CZ 3.68Å; F654-F669 AromaticContact CD2-CD1 3.56Å; F654-F669 HydrophobicContact CD2-CD1 3.56Å; F654-F669 HydrophobicContact CD2-CD2 4.4Å; F654-F669 AromaticContact CD2-CE1 3.67Å; F654-F669 HydrophobicContact CD2-CE1 3.67Å; F654-F669 HydrophobicContact CD2-CE2 4.47Å; F654-F669 AromaticContact CD2-CG 3.97Å; F654-F669 HydrophobicContact CD2-CG 3.97Å; F654-F669 HydrophobicContact CD2-CZ 4.15Å; F654-F669 HydrophobicContact CE2-CD1 4.29Å; F654-F669 HydrophobicContact CG-CE1 4.21Å; F654-F669 HydrophobicContact CG-CZ 4.44Å; F654-F670 AromaticContact CD2-CE2 3.76Å; F654-F670 HydrophobicContact CD2-CE2 3.76Å; F654-F670 AromaticContact CD2-CZ 3.73Å; F654-F670 HydrophobicContact CD2-CZ 3.73Å; F654-F670 HydrophobicContact CE2-CD2 4.38Å; F654-F670 AromaticContact CE2-CE2 3.5Å; F654-F670 HydrophobicContact CE2-CE2 3.5Å; F654-F670 VanDerWaalsContact CE2-CE2 3.5Å; F654-F670 AromaticContact CE2-CZ 3.92Å; F654-F670 HydrophobicContact CE2-CZ 3.92Å; F654-F670 HydrophobicContact CG-CZ 4.15Å; F654-F670 HydrophobicContact CZ-CE2 4.15Å; F654-E710 HydrophobicContact CD1-CB 3.96Å; F654-E710 HydrophobicContact CD1-CG 3.89Å; F654-E710 HydrophobicContact CE1-CB 3.52Å; F654-E710 HydrophobicContact CE1-CG 3.61Å; F654-E710 HydrophobicContact CZ-CB 4.08Å; F654-I714 HydrophobicContact CE2-CD1 3.95Å; F654-I714 HydrophobicContact CZ-CD1 3.64Å
655	K	94.4	Very high	90.3	Very high	86 Å²	86	36.1 Å²	36.1	37%	0.374	20%	0.201	S	C	.	.	H	α-helix	trans	-59	-39.7	179.1	-174.3	169.5	-177.4	167.9	0	111.8	T457 S461 M651 L652 E734	T457-K655 HydrophobicContact CG2-CB 4.2Å; T457-K655 HydrophobicContact CG2-CD 4.17Å; T457-K655 HydrophobicContact CG2-CG 3.88Å; S461-K655 PolarHBondContact OG-NZ 3.2Å; M651-K655 VanDerWaalsContact O-CB 3.29Å; M651-K655 WeakPolarHBondContact O-CB 3.44Å; M651-K655 PolarHBondContact O-N 3.28Å; L652-K655 PolarHBondContact O-N 3.08Å; K655-E734 IonicContact NZ-OE1 3.32Å; K655-E734 PolarHBondContact NZ-OE1 3.38Å
656	T	95.1	Very high	90.5	Very high	16 Å²	16	38.6 Å²	38.6	10%	0.098	21%	0.211	C	C	.	.	H	α-helix	trans	-64.4	-39.9	177.5	-53	0	0	0	0	111.6	E453 L454 T457 Y580 L652 S653 F654	E453-T656 HydrophobicContact CB-CG2 3.86Å; L454-T656 HydrophobicContact CD2-CG2 4.28Å; L454-T656 WeakPolarHBondContact CD2-OG1 3.46Å; L454-T656 HydrophobicContact CG-CG2 4.36Å; T457-T656 WeakPolarHBondContact CB-OG1 3.34Å; T457-T656 WeakPolarHBondContact CG2-OG1 3.27Å; T457-T656 PolarHBondContact OG1-OG1 2.9Å; Y580-T656 HydrophobicContact CE1-CG2 3.61Å; Y580-T656 WeakPolarHBondContact OH-CG2 3.44Å; L652-T656 WeakPolarHBondContact O-CB 3.16Å; L652-T656 PolarHBondContact O-N 3.21Å; L652-T656 PolarHBondContact O-OG1 3.06Å; S653-T656 PolarHBondContact O-N 2.73Å; F654-T656 VanDerWaalsContact C-N 3.27Å; F654-T656 PolarHBondContact O-N 3.4Å
657	Y	94.7	Very high	90.6	Very high	24 Å²	24	40.9 Å²	40.9	9%	0.094	22%	0.221	C	C	.	.	H	α-helix	trans	-80	-37.7	178.6	166.6	-105.7	0	0	0	113.9	M576 S577 Y580 S653 F654 S659 D660 G661 G665 K666 F669	M576-Y657 HydrophobicContact CB-CD2 4.46Å; M576-Y657 HydrophobicContact CB-CE2 4.39Å; S577-Y657 VanDerWaalsContact CB-CZ 3.41Å; S577-Y657 WeakPolarHBondContact CB-OH 3.19Å; Y580-Y657 HydrophobicContact CD2-CD2 4.08Å; Y580-Y657 HydrophobicContact CD2-CG 4.39Å; Y580-Y657 HydrophobicContact CG-CG 4.5Å; S653-Y657 PolarHBondContact O-N 3.28Å; S653-Y657 VanDerWaalsContact O-N 3.16Å; F654-Y657 PolarHBondContact O-N 3.17Å; F654-Y657 VanDerWaalsContact O-N 3.14Å; Y657-S659 VanDerWaalsContact C-N 3.28Å; Y657-S659 PolarHBondContact O-N 3.06Å; Y657-S659 VanDerWaalsContact O-N 3.16Å; Y657-D660 PolarHBondContact O-N 3.41Å; Y657-G661 WeakPolarHBondContact OH-CA 3.48Å; Y657-G665 VanDerWaalsContact OH-CA 3.29Å; Y657-G665 WeakPolarHBondContact OH-CA 3.48Å; Y657-K666 HydrophobicContact CE1-CG 4.17Å; Y657-F669 HydrophobicContact CD1-CB 4.36Å; Y657-F669 HydrophobicContact CD1-CD2 4.13Å; Y657-F669 HydrophobicContact CD1-CG 4.49Å; Y657-F669 HydrophobicContact CE1-CB 4.36Å; Y657-F669 HydrophobicContact CG-CD2 4.49Å
658	A	87.7	Confident	90.5	Very high	16 Å²	16	43.7 Å²	43.7	13%	0.132	24%	0.236	C	C	.	.	H	α-helix	trans	-70.8	-16.4	-159.6	0	0	0	0	0	115.3	F654 D660 K666	F654-A658 HydrophobicContact CD1-CB 3.92Å; F654-A658 HydrophobicContact CE1-CB 3.53Å; F654-A658 HydrophobicContact CE2-CB 4.33Å; F654-A658 HydrophobicContact CG-CB 4.45Å; F654-A658 HydrophobicContact CZ-CB 3.77Å; F654-A658 WeakPolarHBondContact O-CA 3.11Å; F654-A658 WeakPolarHBondContact O-CB 3.44Å; F654-A658 PolarHBondContact O-N 2.77Å; A658-D660 PolarHBondContact O-N 3.12Å; A658-K666 WeakPolarHBondContact O-CE 3.41Å; A658-K666 PolarHBondContact O-NZ 3.48Å
659	S	77.1	Confident	90.7	Very high	93 Å²	93	43.7 Å²	43.7	65%	0.65	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-33	175.7	61.3	0	0	0	0	111.8	Y657	Y657-S659 VanDerWaalsContact C-N 3.28Å; Y657-S659 PolarHBondContact O-N 3.06Å; Y657-S659 VanDerWaalsContact O-N 3.16Å
660	D	73.3	Confident	90.7	Very high	145 Å²	145	43.8 Å²	43.8	78%	0.775	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.2	-12.9	-169.6	-62.2	0.6	0	0	0	112.3	Y657 A658	Y657-D660 PolarHBondContact O-N 3.41Å; A658-D660 PolarHBondContact O-N 3.12Å
661	G	77.1	Confident	90.4	Very high	11 Å²	11	44.7 Å²	44.7	11%	0.113	24%	0.243	C	C	.	.			trans	-83.6	132.4	-175.1	0	0	0	0	0	114.7	Y657 K666	Y657-G661 WeakPolarHBondContact OH-CA 3.48Å; G661-K666 WeakPolarHBondContact O-CE 3.5Å; G661-K666 PolarHBondContact O-NZ 3.28Å
662	D	89.6	Confident	90.2	Very high	103 Å²	103	44.1 Å²	44.1	55%	0.551	24%	0.241	S	C	*	.			trans	-70.4	176.4	164.1	68.5	7.1	0	0	0	111.7	D664 G665 K666	D662-D664 VanDerWaalsContact C-N 3.29Å; D662-D664 PolarHBondContact O-N 2.95Å; D662-D664 PolarHBondContact OD1-N 3.49Å; D662-G665 PolarHBondContact OD1-N 3.35Å; D662-K666 WeakPolarHBondContact O-CB 3.11Å; D662-K666 VanDerWaalsContact O-CG 3.28Å; D662-K666 WeakPolarHBondContact O-CG 3.27Å; D662-K666 PolarHBondContact O-N 3.46Å
663	L	89.9	Confident	90	Very high	86 Å²	86	44 Å²	44	45%	0.45	24%	0.241	S	C	.	.	H	α-helix	trans	-63.2	-37.2	-177.3	-177.5	61.7	0	0	0	112	K666 K667 I714	L663-K666 PolarHBondContact O-N 3.27Å; L663-K667 PolarHBondContact O-N 2.95Å; L663-I714 HydrophobicContact CD1-CG1 4.3Å; L663-I714 HydrophobicContact CD1-CG2 4.24Å
664	D	90.6	Very high	89.7	Confident	119 Å²	119	44 Å²	44	64%	0.636	24%	0.241	S	C	*	.	H	α-helix	trans	-69.5	-44.6	-178.5	-70.1	-17.6	0	0	0	110.9	D662 K666 K667 L668	D662-D664 VanDerWaalsContact C-N 3.29Å; D662-D664 PolarHBondContact O-N 2.95Å; D662-D664 PolarHBondContact OD1-N 3.49Å; D664-K666 VanDerWaalsContact C-N 3.29Å; D664-K666 PolarHBondContact O-N 2.9Å; D664-K667 PolarHBondContact O-N 3.43Å; D664-L668 WeakPolarHBondContact O-CB 3.36Å; D664-L668 PolarHBondContact O-N 2.92Å
665	G	92.9	Very high	89.1	Confident	8 Å²	8	46.5 Å²	46.5	8%	0.082	25%	0.251	C	S	.	.	H	α-helix	trans	-61.6	-36.9	172.3	0	0	0	0	0	112.1	S577 Y657 D662 L668 F669	S577-G665 WeakPolarHBondContact CB-O 3.32Å; Y657-G665 VanDerWaalsContact OH-CA 3.29Å; Y657-G665 WeakPolarHBondContact OH-CA 3.48Å; D662-G665 PolarHBondContact OD1-N 3.35Å; G665-L668 PolarHBondContact O-N 2.94Å; G665-F669 PolarHBondContact O-N 2.81Å
666	K	94.4	Very high	88.5	Confident	52 Å²	52	43.3 Å²	43.3	23%	0.226	24%	0.238	C	C	.	.	H	α-helix	trans	-65.4	-39.9	173.7	-76.5	168	173.7	150.4	0	112.9	F654 Y657 A658 G661 D662 L663 D664 F670 I714	F654-K666 HydrophobicContact CE2-CB 4.21Å; F654-K666 HydrophobicContact CE2-CG 3.96Å; F654-K666 HydrophobicContact CZ-CB 4.41Å; F654-K666 HydrophobicContact CZ-CD 4.2Å; F654-K666 HydrophobicContact CZ-CG 3.93Å; Y657-K666 HydrophobicContact CE1-CG 4.17Å; A658-K666 WeakPolarHBondContact O-CE 3.41Å; A658-K666 PolarHBondContact O-NZ 3.48Å; G661-K666 WeakPolarHBondContact O-CE 3.5Å; G661-K666 PolarHBondContact O-NZ 3.28Å; D662-K666 WeakPolarHBondContact O-CB 3.11Å; D662-K666 VanDerWaalsContact O-CG 3.28Å; D662-K666 WeakPolarHBondContact O-CG 3.27Å; D662-K666 PolarHBondContact O-N 3.46Å; L663-K666 PolarHBondContact O-N 3.27Å; D664-K666 VanDerWaalsContact C-N 3.29Å; D664-K666 PolarHBondContact O-N 2.9Å; K666-F670 VanDerWaalsContact O-CD2 3.31Å; K666-F670 WeakPolarHBondContact O-CD2 3.21Å; K666-I714 HydrophobicContact CB-CD1 3.76Å; K666-I714 HydrophobicContact CB-CG1 4.37Å; K666-I714 HydrophobicContact CD-CD1 4.49Å; K666-I714 HydrophobicContact CG-CD1 4.42Å
667	K	91.8	Very high	87.7	Confident	53 Å²	53	43.9 Å²	43.9	23%	0.23	24%	0.24	C	C	.	.	H	α-helix	trans	-65.2	-41.4	171.9	-73.1	-174	179.7	-158.2	0	111.4	D136 L663 D664 F669 F670 S671 I714	D136-K667 IonicContact OD1-NZ 3.56Å; D136-K667 PolarHBondContact OD1-NZ 3.4Å; D136-K667 IonicContact OD2-NZ 2.8Å; D136-K667 PolarHBondContact OD2-NZ 3.35Å; L663-K667 PolarHBondContact O-N 2.95Å; D664-K667 PolarHBondContact O-N 3.43Å; K667-F669 VanDerWaalsContact C-N 3.34Å; K667-F669 PolarHBondContact O-N 2.79Å; K667-F670 PolarHBondContact O-N 2.8Å; K667-S671 PolarHBondContact O-N 2.77Å; K667-I714 HydrophobicContact CB-CG2 4.47Å; K667-I714 HydrophobicContact CD-CG2 4.43Å; K667-I714 HydrophobicContact CG-CG2 3.42Å; K667-I714 VanDerWaalsContact CG-CG2 3.42Å
668	L	91.8	Very high	86.8	Confident	63 Å²	63	43.5 Å²	43.5	33%	0.33	24%	0.24	S	C	.	.	H	α-helix	trans	-65	-35.9	179.5	-176.2	56	0	0	0	112.2	S577 E578 D664 G665 S671 S672	S577-L668 WeakPolarHBondContact OG-CD2 3.28Å; E578-L668 HydrophobicContact CG-CD1 3.93Å; E578-L668 HydrophobicContact CG-CD2 3.7Å; E578-L668 HydrophobicContact CG-CG 3.61Å; D664-L668 WeakPolarHBondContact O-CB 3.36Å; D664-L668 PolarHBondContact O-N 2.92Å; G665-L668 PolarHBondContact O-N 2.94Å; L668-S671 PolarHBondContact O-N 3.42Å; L668-S672 VanDerWaalsContact O-CB 3.31Å; L668-S672 WeakPolarHBondContact O-CB 3.47Å; L668-S672 PolarHBondContact O-N 2.98Å; L668-S672 PolarHBondContact O-OG 2.89Å
669	F	94.9	Very high	85.6	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-53.7	-55.2	171.7	171.4	-81.7	0	0	0	111.7	S577 Y580 G581 L650 F654 Y657 G665 K667 S671 S672 F673	S577-F669 WeakPolarHBondContact O-CA 3.26Å; Y580-F669 VanDerWaalsContact C-CE2 3.41Å; G581-F669 VanDerWaalsContact N-CD2 3.28Å; L650-F669 HydrophobicContact CD1-CE1 3.73Å; L650-F669 HydrophobicContact CD1-CZ 3.79Å; L650-F669 HydrophobicContact CG-CE1 4.32Å; F654-F669 HydrophobicContact CB-CE1 3.81Å; F654-F669 HydrophobicContact CB-CE2 4.3Å; F654-F669 HydrophobicContact CB-CZ 3.68Å; F654-F669 AromaticContact CD2-CD1 3.56Å; F654-F669 HydrophobicContact CD2-CD1 3.56Å; F654-F669 HydrophobicContact CD2-CD2 4.4Å; F654-F669 AromaticContact CD2-CE1 3.67Å; F654-F669 HydrophobicContact CD2-CE1 3.67Å; F654-F669 HydrophobicContact CD2-CE2 4.47Å; F654-F669 AromaticContact CD2-CG 3.97Å; F654-F669 HydrophobicContact CD2-CG 3.97Å; F654-F669 HydrophobicContact CD2-CZ 4.15Å; F654-F669 HydrophobicContact CE2-CD1 4.29Å; F654-F669 HydrophobicContact CG-CE1 4.21Å; F654-F669 HydrophobicContact CG-CZ 4.44Å; Y657-F669 HydrophobicContact CD1-CB 4.36Å; Y657-F669 HydrophobicContact CD1-CD2 4.13Å; Y657-F669 HydrophobicContact CD1-CG 4.49Å; Y657-F669 HydrophobicContact CE1-CB 4.36Å; Y657-F669 HydrophobicContact CG-CD2 4.49Å; G665-F669 PolarHBondContact O-N 2.81Å; K667-F669 VanDerWaalsContact C-N 3.34Å; K667-F669 PolarHBondContact O-N 2.79Å; F669-S671 VanDerWaalsContact C-N 3.34Å; F669-S671 PolarHBondContact O-N 3.42Å; F669-S672 PolarHBondContact O-N 3.11Å; F669-F673 PolarHBondContact O-N 3.04Å
670	F	93.6	Very high	84.7	Confident	1 Å²	1	49.3 Å²	49.3	0%	0.004	25%	0.252	C	S	.	.	H	α-helix	trans	-67.5	-36.6	-177.6	-73	-67.1	0	0	0	112	Y143 L650 F654 K666 K667 S672 F673 A674 L705 F711 I714	Y143-F670 HydrophobicContact CE1-CB 4.33Å; Y143-F670 VanDerWaalsContact OH-C 3.31Å; L650-F670 HydrophobicContact CD2-CE1 4.28Å; F654-F670 AromaticContact CD2-CE2 3.76Å; F654-F670 HydrophobicContact CD2-CE2 3.76Å; F654-F670 AromaticContact CD2-CZ 3.73Å; F654-F670 HydrophobicContact CD2-CZ 3.73Å; F654-F670 HydrophobicContact CE2-CD2 4.38Å; F654-F670 AromaticContact CE2-CE2 3.5Å; F654-F670 HydrophobicContact CE2-CE2 3.5Å; F654-F670 VanDerWaalsContact CE2-CE2 3.5Å; F654-F670 AromaticContact CE2-CZ 3.92Å; F654-F670 HydrophobicContact CE2-CZ 3.92Å; F654-F670 HydrophobicContact CG-CZ 4.15Å; F654-F670 HydrophobicContact CZ-CE2 4.15Å; K666-F670 VanDerWaalsContact O-CD2 3.31Å; K666-F670 WeakPolarHBondContact O-CD2 3.21Å; K667-F670 PolarHBondContact O-N 2.8Å; F670-S672 VanDerWaalsContact C-N 3.33Å; F670-S672 PolarHBondContact O-N 3.44Å; F670-F673 PolarHBondContact O-N 3.14Å; F670-A674 PolarHBondContact O-N 3.12Å; F670-L705 HydrophobicContact CD1-CD2 3.5Å; F670-L705 HydrophobicContact CE1-CD2 3.86Å; F670-F711 HydrophobicContact CB-CD2 4.19Å; F670-F711 HydrophobicContact CB-CE2 4.48Å; F670-F711 HydrophobicContact CD1-CB 4.41Å; F670-F711 AromaticContact CD1-CD2 3.86Å; F670-F711 HydrophobicContact CD1-CD2 3.86Å; F670-F711 HydrophobicContact CD2-CD2 4.18Å; F670-F711 HydrophobicContact CE1-CB 3.95Å; F670-F711 HydrophobicContact CE1-CD2 4.26Å; F670-F711 HydrophobicContact CE2-CB 4.28Å; F670-F711 AromaticContact CG-CD2 3.81Å; F670-F711 HydrophobicContact CG-CD2 3.81Å; F670-F711 HydrophobicContact CZ-CB 3.89Å; F670-I714 HydrophobicContact CD2-CD1 4.12Å; F670-I714 HydrophobicContact CE2-CD1 3.54Å
671	S	90	Very high	83.7	Confident	23 Å²	23	46.2 Å²	46.2	16%	0.161	23%	0.23	C	C	.	.	H	α-helix	trans	-65.6	-39.6	177.2	-171.5	0	0	0	0	111.1	Y143 K667 L668 F669 A674 K675	Y143-S671 WeakPolarHBondContact OH-CA 3.16Å; Y143-S671 PolarHBondContact OH-N 2.94Å; K667-S671 PolarHBondContact O-N 2.77Å; L668-S671 PolarHBondContact O-N 3.42Å; F669-S671 VanDerWaalsContact C-N 3.34Å; F669-S671 PolarHBondContact O-N 3.42Å; S671-A674 PolarHBondContact O-N 3.34Å; S671-K675 VanDerWaalsContact O-CB 3.24Å; S671-K675 WeakPolarHBondContact O-CB 3.28Å; S671-K675 VanDerWaalsContact O-CG 3.26Å; S671-K675 WeakPolarHBondContact O-CG 3.2Å; S671-K675 PolarHBondContact O-N 3.18Å
672	S	89.7	Confident	82.2	Confident	12 Å²	12	48.7 Å²	48.7	8%	0.084	25%	0.246	C	C	.	.	H	α-helix	trans	-65.1	-43.6	177.5	-57.5	0	0	0	0	111.8	E578 L668 F669 F670 K675 M676	E578-S672 WeakPolarHBondContact CA-OG 3.5Å; E578-S672 WeakPolarHBondContact CG-OG 3.48Å; L668-S672 VanDerWaalsContact O-CB 3.31Å; L668-S672 WeakPolarHBondContact O-CB 3.47Å; L668-S672 PolarHBondContact O-N 2.98Å; L668-S672 PolarHBondContact O-OG 2.89Å; F669-S672 PolarHBondContact O-N 3.11Å; F670-S672 VanDerWaalsContact C-N 3.33Å; F670-S672 PolarHBondContact O-N 3.44Å; S672-K675 PolarHBondContact O-N 2.79Å; S672-M676 WeakPolarHBondContact O-CB 3.28Å; S672-M676 PolarHBondContact O-N 3.46Å
673	F	90.7	Very high	80	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-56.7	-50.5	172.5	171.3	-113.1	0	0	0	111.6	G581 W585 L650 F669 F670 M676 M677 V701 I704 L705	G581-F673 VanDerWaalsContact O-CA 3.25Å; G581-F673 WeakPolarHBondContact O-CA 3.28Å; G581-F673 VanDerWaalsContact O-CB 3.29Å; G581-F673 WeakPolarHBondContact O-CB 3.47Å; W585-F673 HydrophobicContact CB-CD2 4.36Å; W585-F673 AromaticContact CD1-CE2 3.87Å; W585-F673 HydrophobicContact CD2-CD2 4.02Å; W585-F673 AromaticContact CD2-CE2 3.56Å; W585-F673 HydrophobicContact CD2-CE2 3.56Å; W585-F673 AromaticContact CE2-CE2 3.43Å; W585-F673 VanDerWaalsContact CE2-CE2 3.43Å; W585-F673 HydrophobicContact CE3-CD2 4.49Å; W585-F673 HydrophobicContact CE3-CE2 4.13Å; W585-F673 AromaticContact CG-CD2 3.94Å; W585-F673 HydrophobicContact CG-CD2 3.94Å; W585-F673 AromaticContact CG-CE2 3.81Å; W585-F673 HydrophobicContact CG-CE2 3.81Å; W585-F673 HydrophobicContact CH2-CE2 4.33Å; W585-F673 AromaticContact CZ2-CE2 3.82Å; W585-F673 HydrophobicContact CZ2-CE2 3.82Å; W585-F673 HydrophobicContact CZ2-CZ 4.34Å; W585-F673 HydrophobicContact CZ3-CE2 4.47Å; W585-F673 AromaticContact NE1-CE2 3.65Å; L650-F673 HydrophobicContact CD1-CB 4.31Å; L650-F673 HydrophobicContact CD1-CD1 4.07Å; L650-F673 HydrophobicContact CD1-CD2 3.86Å; L650-F673 HydrophobicContact CD1-CE1 4.37Å; L650-F673 HydrophobicContact CD1-CE2 4.23Å; L650-F673 HydrophobicContact CD1-CG 3.79Å; L650-F673 HydrophobicContact CD1-CZ 4.46Å; L650-F673 HydrophobicContact CD2-CD1 4.06Å; L650-F673 HydrophobicContact CD2-CE1 3.88Å; L650-F673 HydrophobicContact CD2-CZ 4.33Å; F669-F673 PolarHBondContact O-N 3.04Å; F670-F673 PolarHBondContact O-N 3.14Å; F673-M676 HydrophobicContact CD2-CE 3.91Å; F673-M676 HydrophobicContact CE2-CE 4.31Å; F673-M676 PolarHBondContact O-N 3.23Å; F673-M677 HydrophobicContact CD2-CG 4.44Å; F673-M677 HydrophobicContact CE2-CG 4Å; F673-M677 HydrophobicContact CZ-CG 4.33Å; F673-M677 WeakPolarHBondContact O-CG 3.15Å; F673-M677 PolarHBondContact O-N 3.39Å; F673-V701 HydrophobicContact CD1-CG1 4.22Å; F673-V701 HydrophobicContact CE1-CG1 3.9Å; F673-I704 HydrophobicContact CE1-CG2 4.4Å; F673-I704 HydrophobicContact CZ-CD1 3.88Å; F673-I704 HydrophobicContact CZ-CG2 4.25Å; F673-L705 HydrophobicContact CD1-CD2 3.96Å; F673-L705 HydrophobicContact CD1-CG 4.38Å; F673-L705 HydrophobicContact CE1-CD2 4.03Å; F673-L705 HydrophobicContact CE1-CG 4.17Å
674	A	87.9	Confident	77.8	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63.9	-45.7	179.9	0	0	0	0	0	112.3	Y143 F670 S671 M676 M677 C678 V701	Y143-A674 HydrophobicContact CD1-CB 3.74Å; Y143-A674 HydrophobicContact CE1-CB 3.52Å; F670-A674 PolarHBondContact O-N 3.12Å; S671-A674 PolarHBondContact O-N 3.34Å; A674-M676 VanDerWaalsContact C-N 3.3Å; A674-M676 PolarHBondContact O-N 3.32Å; A674-M677 PolarHBondContact O-N 2.96Å; A674-M677 VanDerWaalsContact O-N 3.08Å; A674-C678 PolarHBondContact O-N 3.26Å; A674-C678 VanDerWaalsContact O-N 3.16Å; A674-C678 PolarHBondContact O-SG 3.09Å; A674-V701 HydrophobicContact CB-CG1 3.89Å
675	K	83.2	Confident	75.8	Confident	66 Å²	66	44.6 Å²	44.6	29%	0.287	24%	0.235	S	C	.	.	H	α-helix	trans	-59.4	-37.9	177.7	-79.9	-179.2	178.1	-167.8	0	112.5	E150 Q151 S671 S672 M677 C678	E150-K675 IonicContact OE2-NZ 3.23Å; E150-K675 PolarHBondContact OE2-NZ 3.38Å; Q151-K675 PolarHBondContact NE2-O 2.85Å; Q151-K675 PolarHBondContact OE1-O 3.29Å; Q151-K675 VanDerWaalsContact OE1-O 3.11Å; S671-K675 VanDerWaalsContact O-CB 3.24Å; S671-K675 WeakPolarHBondContact O-CB 3.28Å; S671-K675 VanDerWaalsContact O-CG 3.26Å; S671-K675 WeakPolarHBondContact O-CG 3.2Å; S671-K675 PolarHBondContact O-N 3.18Å; S672-K675 PolarHBondContact O-N 2.79Å; K675-M677 VanDerWaalsContact C-N 3.29Å; K675-M677 PolarHBondContact O-N 3.03Å; K675-C678 VanDerWaalsContact CA-SG 3.59Å
676	M	83.3	Confident	73.5	Confident	19 Å²	19	48.1 Å²	48.1	9%	0.094	25%	0.252	C	S	.	.	H	α-helix	trans	-66.1	-32.3	176.2	173.3	-173.3	73.6	0	0	112.6	Y569 T582 W585 F586 S672 F673 A674	Y569-M676 HydrophobicContact CD1-CG 4.2Å; T582-M676 VanDerWaalsContact CA-SD 3.57Å; T582-M676 VanDerWaalsContact CB-SD 3.57Å; T582-M676 HydrophobicContact CG2-CB 4.05Å; T582-M676 HydrophobicContact CG2-CG 4.42Å; T582-M676 HydrophobicContact CG2-SD 3.83Å; W585-M676 HydrophobicContact CD2-CE 4.24Å; W585-M676 HydrophobicContact CE3-CE 3.41Å; W585-M676 VanDerWaalsContact CE3-CE 3.41Å; W585-M676 HydrophobicContact CZ3-CE 3.72Å; F586-M676 HydrophobicContact CD2-CE 4.31Å; F586-M676 HydrophobicContact CD2-SD 3.91Å; F586-M676 HydrophobicContact CE2-CE 3.88Å; F586-M676 HydrophobicContact CE2-CG 4.42Å; F586-M676 HydrophobicContact CE2-SD 3.36Å; F586-M676 WeakPolarHBondContact CE2-SD 3.3Å; F586-M676 HydrophobicContact CZ-CE 4.48Å; F586-M676 HydrophobicContact CZ-SD 4.3Å; S672-M676 WeakPolarHBondContact O-CB 3.28Å; S672-M676 PolarHBondContact O-N 3.46Å; F673-M676 HydrophobicContact CD2-CE 3.91Å; F673-M676 HydrophobicContact CE2-CE 4.31Å; F673-M676 PolarHBondContact O-N 3.23Å; A674-M676 VanDerWaalsContact C-N 3.3Å; A674-M676 PolarHBondContact O-N 3.32Å
677	M	78.6	Confident	71.1	Confident	28 Å²	28	49.6 Å²	49.6	14%	0.138	27%	0.265	C	S	.	.	H	α-helix	trans	-89.7	-6.6	-177	-66.9	-67.5	-75.3	0	0	113.6	W585 F673 A674 K675 T679 Y697 V701	W585-M677 HydrophobicContact CH2-CE 4.02Å; W585-M677 HydrophobicContact CH2-SD 3.79Å; W585-M677 HydrophobicContact CZ3-SD 3.97Å; F673-M677 HydrophobicContact CD2-CG 4.44Å; F673-M677 HydrophobicContact CE2-CG 4Å; F673-M677 HydrophobicContact CZ-CG 4.33Å; F673-M677 WeakPolarHBondContact O-CG 3.15Å; F673-M677 PolarHBondContact O-N 3.39Å; A674-M677 PolarHBondContact O-N 2.96Å; A674-M677 VanDerWaalsContact O-N 3.08Å; K675-M677 VanDerWaalsContact C-N 3.29Å; K675-M677 PolarHBondContact O-N 3.03Å; M677-T679 PolarHBondContact O-N 3.42Å; M677-Y697 HydrophobicContact CE-CD1 4.33Å; M677-V701 HydrophobicContact CB-CG2 3.32Å; M677-V701 HydrophobicContact CG-CG2 3.94Å
678	C	74.4	Confident	68.7	Low	15 Å²	15	51.3 Å²	51.3	10%	0.101	28%	0.28	C	S	.	.			trans	-61.2	124.2	175.9	-63.7	0	0	0	0	110.9	C148 A674 K675	C148-C678 WeakPolarHBondContact CA-SG 3.3Å; C148-C678 HydrophobicContact CB-CB 3.87Å; C148-C678 WeakPolarHBondContact CB-SG 3.29Å; C148-C678 WeakPolarHBondContact SG-CB 3.44Å; C148-C678 CovalentContact SG-SG 2.02Å; C148-C678 PolarHBondContact SG-SG 2.95Å; A674-C678 PolarHBondContact O-N 3.26Å; A674-C678 VanDerWaalsContact O-N 3.16Å; A674-C678 PolarHBondContact O-SG 3.09Å; K675-C678 VanDerWaalsContact CA-SG 3.59Å
679	T	63.5	Low	66.4	Low	66 Å²	66	52.4 Å²	52.4	41%	0.405	29%	0.287	S	S	.	.			trans	-145.7	147.5	178.3	-177.4	0	0	0	0	110.8	M677 Y681	M677-T679 PolarHBondContact O-N 3.42Å; T679-Y681 HydrophobicContact CG2-CD2 4.07Å; T679-Y681 HydrophobicContact CG2-CE1 4.32Å; T679-Y681 HydrophobicContact CG2-CE2 3.37Å
680	R	57.2	Low	63.9	Low	166 Å²	166	54.8 Å²	54.8	63%	0.626	30%	0.299	S	S	*	.			trans	-104.4	120.1	169.5	-58.4	-175	88.9	149.5	-0.2	108.6	F152	F152-R680 VanDerWaalsContact CD1-CD 3.47Å; F152-R680 HydrophobicContact CD1-CG 3.52Å; F152-R680 HydrophobicContact CE1-CG 3.18Å; F152-R680 HydrophobicContact CZ-CG 3.98Å
681	Y	53	Low	61.3	Low	80 Å²	80	62.6 Å²	62.6	31%	0.314	34%	0.335	S	S	.	.			trans	-94.1	138.6	167.5	-61.2	-71.3	0	0	0	109.6	T679 V685 I686 L690	T679-Y681 HydrophobicContact CG2-CD2 4.07Å; T679-Y681 HydrophobicContact CG2-CE1 4.32Å; T679-Y681 HydrophobicContact CG2-CE2 3.37Å; Y681-V685 HydrophobicContact CD1-CG1 3.69Å; Y681-V685 HydrophobicContact CE1-CG1 4.46Å; Y681-V685 HydrophobicContact CG-CG1 4.45Å; Y681-I686 VanDerWaalsContact CB-CG1 3.47Å; Y681-I686 HydrophobicContact CG-CG1 4.35Å; Y681-L690 HydrophobicContact CD2-CD1 3.86Å; Y681-L690 HydrophobicContact CE1-CD2 4.27Å; Y681-L690 HydrophobicContact CE2-CD1 4.05Å; Y681-L690 HydrophobicContact CE2-CD2 4.22Å; Y681-L690 HydrophobicContact CG-CD1 4.14Å
682	S	44.9	Very low	58.9	Low	63 Å²	63	64 Å²	64	44%	0.441	35%	0.345	S	S	.	.			trans	-68.8	152.4	164.3	68.1	0	0	0	0	109.5	D684 V685 I686	S682-D684 PolarHBondContact O-N 3Å; S682-D684 VanDerWaalsContact O-N 3.16Å; S682-V685 PolarHBondContact O-N 3.19Å; S682-V685 VanDerWaalsContact OG-CG2 3.27Å; S682-V685 WeakPolarHBondContact OG-CG2 3.32Å; S682-V685 PolarHBondContact OG-N 3.34Å; S682-I686 WeakPolarHBondContact O-CG1 3.46Å; S682-I686 PolarHBondContact O-N 3.29Å
683	A	43.8	Very low	56.2	Low	71 Å²	71	67.3 Å²	67.3	59%	0.587	37%	0.368	S	S	*	.	H	α-helix	trans	-54.3	-36.3	178.7	0	0	0	0	0	112.5	I686 T687	A683-I686 PolarHBondContact O-N 2.73Å; A683-T687 WeakPolarHBondContact O-CG2 3.32Å; A683-T687 PolarHBondContact O-N 3.35Å; A683-T687 PolarHBondContact O-OG1 3.11Å
684	D	43.9	Very low	53.8	Low	105 Å²	105	73.7 Å²	73.7	56%	0.561	40%	0.403	S	S	*	.	H	α-helix	trans	-64.5	-38.9	175.7	-60.1	-25.2	0	0	0	112.3	S682 T687 T688	S682-D684 PolarHBondContact O-N 3Å; S682-D684 VanDerWaalsContact O-N 3.16Å; D684-T687 WeakPolarHBondContact CA-OG1 3.4Å; D684-T687 PolarHBondContact O-N 3.25Å; D684-T687 PolarHBondContact O-OG1 3.39Å; D684-T688 WeakPolarHBondContact O-CB 3.49Å; D684-T688 WeakPolarHBondContact O-CG2 3.27Å; D684-T688 PolarHBondContact O-N 3.18Å; D684-T688 PolarHBondContact O-OG1 3.09Å
685	V	47.4	Very low	51.7	Low	45 Å²	45	74.7 Å²	74.7	27%	0.273	41%	0.41	S	S	.	.	H	α-helix	trans	-71.9	-35.9	177.9	171.3	0	0	0	0	111.2	Y681 S682 T687 N689 L690	Y681-V685 HydrophobicContact CD1-CG1 3.69Å; Y681-V685 HydrophobicContact CE1-CG1 4.46Å; Y681-V685 HydrophobicContact CG-CG1 4.45Å; S682-V685 PolarHBondContact O-N 3.19Å; S682-V685 VanDerWaalsContact OG-CG2 3.27Å; S682-V685 WeakPolarHBondContact OG-CG2 3.32Å; S682-V685 PolarHBondContact OG-N 3.34Å; V685-T687 VanDerWaalsContact C-N 3.35Å; V685-N689 HydrophobicContact CG1-CB 4.11Å; V685-N689 WeakPolarHBondContact O-CA 3.45Å; V685-N689 WeakPolarHBondContact O-CB 3.39Å; V685-N689 PolarHBondContact O-N 2.61Å; V685-L690 PolarHBondContact O-N 2.99Å
686	I	45.2	Very low	50.1	Low	82 Å²	82	80.4 Å²	80.4	42%	0.421	43%	0.429	S	S	.	.	I	π-helix	trans	-61.4	-46.6	173.8	-62.3	173.8	0	0	0	110.2	Y681 S682 A683 L690	Y681-I686 VanDerWaalsContact CB-CG1 3.47Å; Y681-I686 HydrophobicContact CG-CG1 4.35Å; S682-I686 WeakPolarHBondContact O-CG1 3.46Å; S682-I686 PolarHBondContact O-N 3.29Å; A683-I686 PolarHBondContact O-N 2.73Å; I686-L690 HydrophobicContact CB-CD1 4.19Å; I686-L690 HydrophobicContact CG1-CD1 3.94Å; I686-L690 HydrophobicContact CG2-CD1 4.2Å
687	T	43.4	Very low	48.7	Very low	83 Å²	83	82.4 Å²	82.4	51%	0.509	44%	0.436	S	S	.	.	I	π-helix	trans	-74	-32.4	-177.3	50.7	0	0	0	0	113.5	A683 D684 V685	A683-T687 WeakPolarHBondContact O-CG2 3.32Å; A683-T687 PolarHBondContact O-N 3.35Å; A683-T687 PolarHBondContact O-OG1 3.11Å; D684-T687 WeakPolarHBondContact CA-OG1 3.4Å; D684-T687 PolarHBondContact O-N 3.25Å; D684-T687 PolarHBondContact O-OG1 3.39Å; V685-T687 VanDerWaalsContact C-N 3.35Å
688	T	43.3	Very low	48	Very low	90 Å²	90	82.6 Å²	82.6	55%	0.552	44%	0.436	S	S	*	.	I	π-helix	trans	-100.1	-35	-174.8	57.3	0	0	0	0	115.1	D684	D684-T688 WeakPolarHBondContact O-CB 3.49Å; D684-T688 WeakPolarHBondContact O-CG2 3.27Å; D684-T688 PolarHBondContact O-N 3.18Å; D684-T688 PolarHBondContact O-OG1 3.09Å
689	N	42.3	Very low	47.9	Very low	86 Å²	86	82.7 Å²	82.7	46%	0.46	44%	0.435	S	S	.	.	I	π-helix	trans	-108.2	-37.6	-170.1	-68.7	-29.3	0	0	0	113.4	V685 S692	V685-N689 HydrophobicContact CG1-CB 4.11Å; V685-N689 WeakPolarHBondContact O-CA 3.45Å; V685-N689 WeakPolarHBondContact O-CB 3.39Å; V685-N689 PolarHBondContact O-N 2.61Å; N689-S692 PolarHBondContact O-N 3.18Å; N689-S692 PolarHBondContact O-OG 2.83Å
690	L	43.3	Very low	48.6	Very low	49 Å²	49	81.7 Å²	81.7	26%	0.257	43%	0.431	S	S	.	.	I	π-helix	trans	-71.1	-31.9	179	-68.5	178	0	0	0	112.4	Y681 V685 I686 S692 S695	Y681-L690 HydrophobicContact CD2-CD1 3.86Å; Y681-L690 HydrophobicContact CE1-CD2 4.27Å; Y681-L690 HydrophobicContact CE2-CD1 4.05Å; Y681-L690 HydrophobicContact CE2-CD2 4.22Å; Y681-L690 HydrophobicContact CG-CD1 4.14Å; V685-L690 PolarHBondContact O-N 2.99Å; I686-L690 HydrophobicContact CB-CD1 4.19Å; I686-L690 HydrophobicContact CG1-CD1 3.94Å; I686-L690 HydrophobicContact CG2-CD1 4.2Å; L690-S692 VanDerWaalsContact C-N 3.26Å; L690-S692 PolarHBondContact O-N 3.47Å; L690-S695 WeakPolarHBondContact CD2-OG 3.49Å
691	Q	37.4	Very low	50	Low	166 Å²	166	74 Å²	74	78%	0.776	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-13.6	174	-66.4	-166	-20.1	0	0	113.6
692	S	40	Very low	51.6	Low	51 Å²	51	70.9 Å²	70.9	36%	0.357	39%	0.391	S	S	.	.	S	Bend	trans	-74.3	138.3	176.5	79.3	0	0	0	0	110.4	N689 L690 N694 S695	N689-S692 PolarHBondContact O-N 3.18Å; N689-S692 PolarHBondContact O-OG 2.83Å; L690-S692 VanDerWaalsContact C-N 3.26Å; L690-S692 PolarHBondContact O-N 3.47Å; S692-N694 PolarHBondContact O-N 3.16Å; S692-S695 PolarHBondContact O-N 3.29Å; S692-S695 VanDerWaalsContact O-N 3.12Å
693	S	33.9	Very low	53.7	Low	83 Å²	83	69.6 Å²	69.6	58%	0.58	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	1.3	179.6	63.5	0	0	0	0	114.4	K698	S693-K698 PolarHBondContact O-NZ 3.14Å
694	N	40.2	Very low	56	Low	134 Å²	134	66.3 Å²	66.3	72%	0.717	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.9	9	178.7	-81.4	-7.2	0	0	0	114.2	S692 R696	S692-N694 PolarHBondContact O-N 3.16Å; N694-R696 PolarHBondContact O-N 2.92Å
695	S	43.9	Very low	58.3	Low	21 Å²	21	61.3 Å²	61.3	15%	0.147	32%	0.324	C	S	.	.			trans	-62	123.2	172.2	-179.6	0	0	0	0	110.1	L690 S692 Y697 K698	L690-S695 WeakPolarHBondContact CD2-OG 3.49Å; S692-S695 PolarHBondContact O-N 3.29Å; S692-S695 VanDerWaalsContact O-N 3.12Å; S695-Y697 VanDerWaalsContact C-N 3.29Å; S695-Y697 PolarHBondContact O-N 3.16Å; S695-K698 WeakPolarHBondContact O-CD 3.41Å; S695-K698 VanDerWaalsContact O-CE 3.23Å; S695-K698 WeakPolarHBondContact O-CE 3.44Å; S695-K698 VanDerWaalsContact O-CG 3.25Å; S695-K698 WeakPolarHBondContact O-CG 3.48Å
696	R	48.6	Very low	60.5	Low	186 Å²	186	60.3 Å²	60.3	70%	0.702	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-6.9	-177.4	-74.1	-179.9	-80.6	-177.1	-1.4	113.6	N694	N694-R696 PolarHBondContact O-N 2.92Å
697	Y	55.3	Low	62.8	Low	60 Å²	60	56.4 Å²	56.4	24%	0.235	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.7	53	179.5	-56.2	-71.9	0	0	0	110.1	F545 M546 M677 S695 F699	F545-Y697 HydrophobicContact CD1-CE1 4.42Å; F545-Y697 AromaticContact CD1-CZ 3.79Å; F545-Y697 WeakPolarHBondContact CD1-OH 3.22Å; F545-Y697 HydrophobicContact CE1-CE1 4.1Å; F545-Y697 AromaticContact CE1-CZ 3.9Å; M546-Y697 HydrophobicContact CE-CE1 3.96Å; M677-Y697 HydrophobicContact CE-CD1 4.33Å; S695-Y697 VanDerWaalsContact C-N 3.29Å; S695-Y697 PolarHBondContact O-N 3.16Å; Y697-F699 VanDerWaalsContact C-N 3.27Å
698	K	63.3	Low	65.2	Low	33 Å²	33	52.8 Å²	52.8	14%	0.143	27%	0.273	C	S	.	.			trans	-68.3	-30.1	-179.5	-80.1	166.3	-178.7	-178.1	0	112.9	Y635 D639 S693 S695	Y635-K698 HydrophobicContact CD1-CD 4.46Å; Y635-K698 HydrophobicContact CE1-CB 4.05Å; Y635-K698 HydrophobicContact CE1-CD 4.06Å; Y635-K698 HydrophobicContact CE1-CG 4.35Å; D639-K698 HydrophobicContact CB-CD 4.48Å; D639-K698 IonicContact OD1-NZ 2.74Å; D639-K698 PolarHBondContact OD1-NZ 2.9Å; D639-K698 IonicContact OD2-NZ 3.61Å; D639-K698 PolarHBondContact OD2-NZ 3.48Å; S693-K698 PolarHBondContact O-NZ 3.14Å; S695-K698 WeakPolarHBondContact O-CD 3.41Å; S695-K698 VanDerWaalsContact O-CE 3.23Å; S695-K698 WeakPolarHBondContact O-CE 3.44Å; S695-K698 VanDerWaalsContact O-CG 3.25Å; S695-K698 WeakPolarHBondContact O-CG 3.48Å
699	F	73.1	Confident	67.5	Low	17 Å²	17	52 Å²	52	8%	0.075	26%	0.263	C	S	.	.	S	Bend	trans	-103	135.4	-171.8	-51.9	-69.6	0	0	0	111.5	F632 Y635 D639 L643 Y697 E703	F632-F699 HydrophobicContact CD1-CD1 4.15Å; F632-F699 AromaticContact CD1-CE1 3.81Å; F632-F699 HydrophobicContact CD1-CE1 3.81Å; F632-F699 AromaticContact CE1-CD1 3.67Å; F632-F699 HydrophobicContact CE1-CD1 3.67Å; F632-F699 AromaticContact CE1-CE1 3.83Å; F632-F699 HydrophobicContact CE1-CE1 3.83Å; Y635-F699 AromaticContact CD1-CE1 3.87Å; Y635-F699 HydrophobicContact CD1-CE1 3.87Å; Y635-F699 AromaticContact CD1-CZ 3.81Å; Y635-F699 HydrophobicContact CD1-CZ 3.81Å; Y635-F699 AromaticContact CE1-CE1 3.71Å; Y635-F699 HydrophobicContact CE1-CE1 3.71Å; Y635-F699 AromaticContact CE1-CZ 3.95Å; Y635-F699 HydrophobicContact CE1-CZ 3.95Å; Y635-F699 HydrophobicContact CE2-CE1 4.49Å; Y635-F699 HydrophobicContact CG-CE1 4.33Å; Y635-F699 HydrophobicContact CG-CZ 4.46Å; D639-F699 HydrophobicContact CB-CE2 4.43Å; D639-F699 HydrophobicContact CB-CZ 4.08Å; D639-F699 VanDerWaalsContact O-CE2 3.26Å; D639-F699 WeakPolarHBondContact O-CE2 3.27Å; L643-F699 HydrophobicContact CB-CD2 3.79Å; L643-F699 HydrophobicContact CB-CE1 4.41Å; L643-F699 HydrophobicContact CB-CE2 3.61Å; L643-F699 HydrophobicContact CB-CG 4.28Å; L643-F699 HydrophobicContact CB-CZ 3.92Å; L643-F699 HydrophobicContact CD1-CB 3.94Å; L643-F699 HydrophobicContact CD1-CD1 4.29Å; L643-F699 HydrophobicContact CD1-CD2 4Å; L643-F699 HydrophobicContact CD1-CG 3.8Å; L643-F699 HydrophobicContact CD2-CD1 3.92Å; L643-F699 HydrophobicContact CD2-CE1 3.89Å; L643-F699 HydrophobicContact CD2-CG 4.23Å; L643-F699 HydrophobicContact CD2-CZ 4.21Å; L643-F699 HydrophobicContact CG-CD1 4.49Å; L643-F699 HydrophobicContact CG-CD2 4.31Å; L643-F699 HydrophobicContact CG-CE2 4.47Å; L643-F699 HydrophobicContact CG-CG 4.32Å; Y697-F699 VanDerWaalsContact C-N 3.27Å; F699-E703 WeakPolarHBondContact CA-OE2 3.39Å; F699-E703 HydrophobicContact CB-CB 4.4Å
700	S	77.7	Confident	69.9	Low	45 Å²	45	51.1 Å²	51.1	32%	0.315	26%	0.257	S	S	.	.			trans	-72.9	158	174.8	69.1	0	0	0	0	111.4	N702 E703 I704	S700-N702 PolarHBondContact O-N 3.14Å; S700-E703 PolarHBondContact N-OE2 2.94Å; S700-E703 WeakPolarHBondContact O-CB 3.41Å; S700-E703 PolarHBondContact O-N 3.5Å; S700-E703 WeakPolarHBondContact OG-CG 3.42Å; S700-E703 PolarHBondContact OG-N 2.75Å; S700-E703 PolarHBondContact OG-OE2 2.95Å; S700-I704 PolarHBondContact O-N 2.86Å
701	V	85.4	Confident	72.3	Confident	3 Å²	3	48.8 Å²	48.8	2%	0.018	24%	0.244	C	C	.	.	H	α-helix	trans	-53.7	-39.8	172.5	169.8	0	0	0	0	111.6	L144 F673 A674 M677 E703 I704 L705	L144-V701 HydrophobicContact CD1-CB 3.87Å; L144-V701 HydrophobicContact CD1-CG2 3.64Å; F673-V701 HydrophobicContact CD1-CG1 4.22Å; F673-V701 HydrophobicContact CE1-CG1 3.9Å; A674-V701 HydrophobicContact CB-CG1 3.89Å; M677-V701 HydrophobicContact CB-CG2 3.32Å; M677-V701 HydrophobicContact CG-CG2 3.94Å; V701-E703 VanDerWaalsContact C-N 3.29Å; V701-E703 PolarHBondContact O-N 2.99Å; V701-I704 PolarHBondContact O-N 2.98Å; V701-I704 VanDerWaalsContact O-N 3.11Å; V701-L705 HydrophobicContact CG1-CD1 3.46Å; V701-L705 VanDerWaalsContact CG1-CD1 3.46Å; V701-L705 HydrophobicContact CG1-CG 3.92Å; V701-L705 WeakPolarHBondContact O-CG 3.26Å; V701-L705 PolarHBondContact O-N 2.97Å
702	N	88.3	Confident	75	Confident	16 Å²	16	40.9 Å²	40.9	9%	0.086	21%	0.208	C	C	.	.	H	α-helix	trans	-64.9	-34.5	-179.7	-68	-15.6	0	0	0	112.3	D142 Y143 L144 S700 I704 K706 M723	D142-N702 PolarHBondContact OD1-ND2 3.14Å; Y143-N702 PolarHBondContact N-OD1 3.26Å; L144-N702 PolarHBondContact N-OD1 3.14Å; S700-N702 PolarHBondContact O-N 3.14Å; N702-I704 PolarHBondContact O-N 3.24Å; N702-K706 WeakPolarHBondContact O-CB 3.39Å; N702-K706 WeakPolarHBondContact O-CG 3.49Å; N702-K706 PolarHBondContact O-N 3.48Å; N702-M723 HydrophobicContact CB-CE 4.11Å; N702-M723 HydrophobicContact CB-SD 3.75Å
703	E	88.7	Confident	77.4	Confident	36 Å²	36	43.4 Å²	43.4	17%	0.168	22%	0.217	C	C	.	.	H	α-helix	trans	-66.8	-21.8	175.8	-78.5	169.7	154.9	0	0	113.2	F632 F699 S700 V701 H707	F632-E703 HydrophobicContact CE1-CB 4.33Å; F632-E703 HydrophobicContact CE1-CG 3.95Å; F632-E703 WeakPolarHBondContact CE1-OE1 3.29Å; F632-E703 HydrophobicContact CZ-CB 3.86Å; F632-E703 HydrophobicContact CZ-CG 3.7Å; F699-E703 WeakPolarHBondContact CA-OE2 3.39Å; F699-E703 HydrophobicContact CB-CB 4.4Å; S700-E703 PolarHBondContact N-OE2 2.94Å; S700-E703 WeakPolarHBondContact O-CB 3.41Å; S700-E703 PolarHBondContact O-N 3.5Å; S700-E703 WeakPolarHBondContact OG-CG 3.42Å; S700-E703 PolarHBondContact OG-N 2.75Å; S700-E703 PolarHBondContact OG-OE2 2.95Å; V701-E703 VanDerWaalsContact C-N 3.29Å; V701-E703 PolarHBondContact O-N 2.99Å; E703-H707 PolarHBondContact O-CD2 3.43Å
704	I	91.5	Very high	80.2	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.01	19%	0.193	C	C	.	.	H	α-helix	trans	-88.7	-53	173.7	-60.2	166.2	0	0	0	109.6	L643 D646 I647 L650 F673 S700 V701 N702 K706 H707	L643-I704 HydrophobicContact CD1-CG1 4.02Å; D646-I704 HydrophobicContact CB-CD1 3.83Å; D646-I704 HydrophobicContact CB-CG1 4.1Å; I647-I704 HydrophobicContact CG1-CG2 4.29Å; L650-I704 HydrophobicContact CB-CG2 4.45Å; L650-I704 HydrophobicContact CD2-CG2 3.86Å; F673-I704 HydrophobicContact CE1-CG2 4.4Å; F673-I704 HydrophobicContact CZ-CD1 3.88Å; F673-I704 HydrophobicContact CZ-CG2 4.25Å; S700-I704 PolarHBondContact O-N 2.86Å; V701-I704 PolarHBondContact O-N 2.98Å; V701-I704 VanDerWaalsContact O-N 3.11Å; N702-I704 PolarHBondContact O-N 3.24Å; I704-K706 VanDerWaalsContact C-N 3.31Å; I704-K706 PolarHBondContact O-N 3.44Å; I704-H707 PolarHBondContact O-N 3Å; I704-H707 VanDerWaalsContact O-N 3.12Å
705	L	92.8	Very high	82.5	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-63.7	-31.4	-173.1	-69.5	-178.8	0	0	0	113.8	Y143 L650 F670 F673 V701 H707 S708 F711 M723	Y143-L705 HydrophobicContact CD1-CD1 3.34Å; Y143-L705 HydrophobicContact CE1-CD1 3.91Å; Y143-L705 HydrophobicContact CG-CD1 4Å; L650-L705 HydrophobicContact CD2-CD2 3.57Å; F670-L705 HydrophobicContact CD1-CD2 3.5Å; F670-L705 HydrophobicContact CE1-CD2 3.86Å; F673-L705 HydrophobicContact CD1-CD2 3.96Å; F673-L705 HydrophobicContact CD1-CG 4.38Å; F673-L705 HydrophobicContact CE1-CD2 4.03Å; F673-L705 HydrophobicContact CE1-CG 4.17Å; V701-L705 HydrophobicContact CG1-CD1 3.46Å; V701-L705 VanDerWaalsContact CG1-CD1 3.46Å; V701-L705 HydrophobicContact CG1-CG 3.92Å; V701-L705 WeakPolarHBondContact O-CG 3.26Å; V701-L705 PolarHBondContact O-N 2.97Å; L705-H707 PolarHBondContact O-N 3.13Å; L705-S708 PolarHBondContact O-N 3.39Å; L705-F711 HydrophobicContact CB-CD1 4.3Å; L705-F711 HydrophobicContact CB-CD2 4.39Å; L705-F711 HydrophobicContact CB-CE1 4.47Å; L705-F711 HydrophobicContact CB-CG 4.28Å; L705-F711 HydrophobicContact CD1-CD2 4.09Å; L705-F711 HydrophobicContact CD1-CE2 3.76Å; L705-F711 HydrophobicContact CD1-CZ 4.19Å; L705-F711 HydrophobicContact CD2-CD2 4.07Å; L705-F711 HydrophobicContact CD2-CG 4.42Å; L705-F711 HydrophobicContact CG-CD2 4.43Å; L705-M723 HydrophobicContact CB-CE 3.59Å
706	K	92.4	Very high	84.8	Confident	24 Å²	24	42.4 Å²	42.4	10%	0.104	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-19.9	177.2	73.5	-177.1	-172.9	177.2	0	113.1	Q629 N702 I704 M723 P725 K728	Q629-K706 VanDerWaalsContact OE1-CE 3.3Å; N702-K706 WeakPolarHBondContact O-CB 3.39Å; N702-K706 WeakPolarHBondContact O-CG 3.49Å; N702-K706 PolarHBondContact O-N 3.48Å; I704-K706 VanDerWaalsContact C-N 3.31Å; I704-K706 PolarHBondContact O-N 3.44Å; K706-M723 WeakPolarHBondContact CA-O 3.31Å; K706-P725 HydrophobicContact CB-CG 4.23Å; K706-P725 HydrophobicContact CG-CG 4.48Å; K706-P725 WeakPolarHBondContact O-CD 3.31Å; K706-K728 PolarHBondContact O-NZ 3.32Å
707	H	93.3	Very high	86.8	Confident	0 Å²	0	34 Å²	34	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-18.7	177.5	-67	-87.5	0	0	0	113.7	Q629 I647 E703 I704 L705 C729 L730	Q629-H707 PolarHBondContact NE2-CE1 2.94Å; I647-H707 HydrophobicContact CD1-CB 4.25Å; I647-H707 HydrophobicContact CG1-CB 4.3Å; I647-H707 HydrophobicContact CG2-CB 3.72Å; E703-H707 PolarHBondContact O-CD2 3.43Å; I704-H707 PolarHBondContact O-N 3Å; I704-H707 VanDerWaalsContact O-N 3.12Å; L705-H707 PolarHBondContact O-N 3.13Å; H707-C729 PolarHBondContact ND1-N 2.68Å; H707-C729 PolarHBondContact ND1-O 3.49Å; H707-L730 HydrophobicContact CB-CD2 4.06Å; H707-L730 VanDerWaalsContact O-CD2 3.28Å; H707-L730 WeakPolarHBondContact O-CD2 3.43Å
708	S	93.6	Very high	88.5	Confident	6 Å²	6	35.1 Å²	35.1	4%	0.042	18%	0.175	C	C	.	.			trans	-79.5	125.8	176.8	171	0	0	0	0	110.6	L705 E710 F711 S712 K728	L705-S708 PolarHBondContact O-N 3.39Å; S708-E710 PolarHBondContact OG-N 3.23Å; S708-E710 PolarHBondContact OG-OE2 3.39Å; S708-F711 PolarHBondContact OG-N 2.87Å; S708-S712 PolarHBondContact O-OG 3.07Å; S708-K728 PolarHBondContact O-NZ 3.45Å
709	Q	92.8	Very high	89.8	Confident	73 Å²	73	38 Å²	38	34%	0.341	20%	0.199	S	C	.	.	H	α-helix	trans	-76	-32.3	172.5	-175.6	58.1	51.5	0	0	110.7	S712 N713 K728	Q709-S712 WeakPolarHBondContact O-CB 3.42Å; Q709-S712 PolarHBondContact O-N 3.19Å; Q709-N713 PolarHBondContact NE2-OD1 3.49Å; Q709-N713 WeakPolarHBondContact O-CB 3.26Å; Q709-N713 PolarHBondContact O-N 3.39Å; Q709-N713 PolarHBondContact O-ND2 2.85Å; Q709-N713 PolarHBondContact O-OD1 3.17Å; Q709-K728 HydrophobicContact CB-CD 4.48Å
710	E	92.5	Very high	90.5	Very high	68 Å²	68	39.5 Å²	39.5	32%	0.318	22%	0.22	S	C	.	.	H	α-helix	trans	-62.1	-45.6	177.7	-56.7	76.4	-168.5	0	0	110.7	F654 S708 S712 N713 I714	F654-E710 HydrophobicContact CD1-CB 3.96Å; F654-E710 HydrophobicContact CD1-CG 3.89Å; F654-E710 HydrophobicContact CE1-CB 3.52Å; F654-E710 HydrophobicContact CE1-CG 3.61Å; F654-E710 HydrophobicContact CZ-CB 4.08Å; S708-E710 PolarHBondContact OG-N 3.23Å; S708-E710 PolarHBondContact OG-OE2 3.39Å; E710-S712 PolarHBondContact O-N 3.41Å; E710-N713 PolarHBondContact O-N 3.37Å; E710-I714 WeakPolarHBondContact O-CB 3.35Å; E710-I714 WeakPolarHBondContact O-CD1 3.29Å; E710-I714 VanDerWaalsContact O-CG1 3.3Å; E710-I714 WeakPolarHBondContact O-CG1 3.19Å; E710-I714 PolarHBondContact O-N 3.02Å
711	F	93.5	Very high	91.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-54.9	-51.9	172.3	175	-94	0	0	0	111.2	Y143 F670 L705 S708 N713 I714 H715 M723	Y143-F711 HydrophobicContact CD1-CE2 4.09Å; Y143-F711 HydrophobicContact CD1-CZ 4.4Å; Y143-F711 AromaticContact CD2-CE2 3.73Å; Y143-F711 HydrophobicContact CD2-CE2 3.73Å; Y143-F711 AromaticContact CD2-CZ 3.67Å; Y143-F711 HydrophobicContact CD2-CZ 3.67Å; Y143-F711 HydrophobicContact CE1-CE2 4.18Å; Y143-F711 AromaticContact CE2-CE2 3.84Å; Y143-F711 HydrophobicContact CE2-CE2 3.84Å; Y143-F711 HydrophobicContact CE2-CZ 4.21Å; Y143-F711 AromaticContact CG-CE2 3.84Å; Y143-F711 HydrophobicContact CG-CE2 3.84Å; Y143-F711 AromaticContact CG-CZ 3.76Å; Y143-F711 HydrophobicContact CG-CZ 3.76Å; F670-F711 HydrophobicContact CB-CD2 4.19Å; F670-F711 HydrophobicContact CB-CE2 4.48Å; F670-F711 HydrophobicContact CD1-CB 4.41Å; F670-F711 AromaticContact CD1-CD2 3.86Å; F670-F711 HydrophobicContact CD1-CD2 3.86Å; F670-F711 HydrophobicContact CD2-CD2 4.18Å; F670-F711 HydrophobicContact CE1-CB 3.95Å; F670-F711 HydrophobicContact CE1-CD2 4.26Å; F670-F711 HydrophobicContact CE2-CB 4.28Å; F670-F711 AromaticContact CG-CD2 3.81Å; F670-F711 HydrophobicContact CG-CD2 3.81Å; F670-F711 HydrophobicContact CZ-CB 3.89Å; L705-F711 HydrophobicContact CB-CD1 4.3Å; L705-F711 HydrophobicContact CB-CD2 4.39Å; L705-F711 HydrophobicContact CB-CE1 4.47Å; L705-F711 HydrophobicContact CB-CG 4.28Å; L705-F711 HydrophobicContact CD1-CD2 4.09Å; L705-F711 HydrophobicContact CD1-CE2 3.76Å; L705-F711 HydrophobicContact CD1-CZ 4.19Å; L705-F711 HydrophobicContact CD2-CD2 4.07Å; L705-F711 HydrophobicContact CD2-CG 4.42Å; L705-F711 HydrophobicContact CG-CD2 4.43Å; S708-F711 PolarHBondContact OG-N 2.87Å; F711-N713 VanDerWaalsContact C-N 3.27Å; F711-N713 PolarHBondContact O-N 2.87Å; F711-I714 PolarHBondContact O-N 3.49Å; F711-H715 AromaticContact CD2-CD2 3.53Å; F711-H715 AromaticContact CE2-CD2 3.23Å; F711-H715 WeakPolarHBondContact CE2-CD2 3.05Å; F711-H715 AromaticContact CE2-NE2 3.61Å; F711-H715 AromaticContact CZ-CD2 3.68Å; F711-H715 PolarHBondContact O-N 2.84Å; F711-M723 HydrophobicContact CD1-CE 4.46Å; F711-M723 HydrophobicContact CE1-CB 4.03Å; F711-M723 HydrophobicContact CE1-CE 3.76Å; F711-M723 HydrophobicContact CZ-CE 4.14Å
712	S	93.3	Very high	91.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-56.5	-41.3	177.5	-61.5	0	0	0	0	112.1	S708 Q709 E710 R716 C717 N724 K728	S708-S712 PolarHBondContact O-OG 3.07Å; Q709-S712 WeakPolarHBondContact O-CB 3.42Å; Q709-S712 PolarHBondContact O-N 3.19Å; E710-S712 PolarHBondContact O-N 3.41Å; S712-R716 CarbonylContact O-C 3.53Å; S712-R716 WeakPolarHBondContact O-CA 3.39Å; S712-R716 PolarHBondContact O-N 3.3Å; S712-C717 PolarHBondContact O-N 3.49Å; S712-N724 VanDerWaalsContact CB-CG 3.45Å; S712-N724 WeakPolarHBondContact CB-OD1 3.26Å; S712-N724 VanDerWaalsContact OG-CB 3.31Å; S712-N724 WeakPolarHBondContact OG-CB 3.48Å; S712-N724 PolarHBondContact OG-OD1 3.37Å; S712-K728 PolarHBondContact OG-NZ 3.46Å; S712-K728 VanDerWaalsContact OG-NZ 3.12Å
713	N	91.7	Very high	91.3	Very high	104 Å²	104	44.2 Å²	44.2	56%	0.556	24%	0.236	S	C	*	.	H	α-helix	trans	-69.8	-43	-179.2	-68.3	-12.8	0	0	0	111.8	Q709 E710 F711 R716	Q709-N713 PolarHBondContact NE2-OD1 3.49Å; Q709-N713 WeakPolarHBondContact O-CB 3.26Å; Q709-N713 PolarHBondContact O-N 3.39Å; Q709-N713 PolarHBondContact O-ND2 2.85Å; Q709-N713 PolarHBondContact O-OD1 3.17Å; E710-N713 PolarHBondContact O-N 3.37Å; F711-N713 VanDerWaalsContact C-N 3.27Å; F711-N713 PolarHBondContact O-N 2.87Å; N713-R716 PolarHBondContact O-N 3.38Å
714	I	91.5	Very high	91.5	Very high	16 Å²	16	43 Å²	43	8%	0.082	23%	0.232	C	C	.	.	H	α-helix	trans	-65	-40.3	-179.1	-75.2	158.9	0	0	0	111.5	F654 L663 K666 K667 F670 E710 F711	F654-I714 HydrophobicContact CE2-CD1 3.95Å; F654-I714 HydrophobicContact CZ-CD1 3.64Å; L663-I714 HydrophobicContact CD1-CG1 4.3Å; L663-I714 HydrophobicContact CD1-CG2 4.24Å; K666-I714 HydrophobicContact CB-CD1 3.76Å; K666-I714 HydrophobicContact CB-CG1 4.37Å; K666-I714 HydrophobicContact CD-CD1 4.49Å; K666-I714 HydrophobicContact CG-CD1 4.42Å; K667-I714 HydrophobicContact CB-CG2 4.47Å; K667-I714 HydrophobicContact CD-CG2 4.43Å; K667-I714 HydrophobicContact CG-CG2 3.42Å; K667-I714 VanDerWaalsContact CG-CG2 3.42Å; F670-I714 HydrophobicContact CD2-CD1 4.12Å; F670-I714 HydrophobicContact CE2-CD1 3.54Å; E710-I714 WeakPolarHBondContact O-CB 3.35Å; E710-I714 WeakPolarHBondContact O-CD1 3.29Å; E710-I714 VanDerWaalsContact O-CG1 3.3Å; E710-I714 WeakPolarHBondContact O-CG1 3.19Å; E710-I714 PolarHBondContact O-N 3.02Å; F711-I714 PolarHBondContact O-N 3.49Å
715	H	89.3	Confident	91.6	Very high	9 Å²	9	44.6 Å²	44.6	4%	0.042	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	5.6	177.6	-67.6	-69.5	0	0	0	113.6	D136 A139 C140 Y143 F711 C717	D136-H715 WeakPolarHBondContact CB-O 3.4Å; D136-H715 IonicContact OD1-ND1 2.71Å; D136-H715 PolarHBondContact OD1-ND1 2.94Å; A139-H715 HydrophobicContact CB-CB 3.99Å; C140-H715 PolarHBondContact SG-O 2.86Å; Y143-H715 AromaticContact CE2-CE1 3.72Å; Y143-H715 AromaticContact CE2-NE2 3.62Å; F711-H715 AromaticContact CD2-CD2 3.53Å; F711-H715 AromaticContact CE2-CD2 3.23Å; F711-H715 WeakPolarHBondContact CE2-CD2 3.05Å; F711-H715 AromaticContact CE2-NE2 3.61Å; F711-H715 AromaticContact CZ-CD2 3.68Å; F711-H715 PolarHBondContact O-N 2.84Å; H715-C717 VanDerWaalsContact C-N 3.26Å; H715-C717 PolarHBondContact O-N 3.28Å
716	R	91.4	Very high	91.4	Very high	192 Å²	192	52 Å²	52	73%	0.725	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	40.4	176.4	-55.2	177.1	179.9	167.1	1.4	113.5	S712 N713 S718	S712-R716 CarbonylContact O-C 3.53Å; S712-R716 WeakPolarHBondContact O-CA 3.39Å; S712-R716 PolarHBondContact O-N 3.3Å; N713-R716 PolarHBondContact O-N 3.38Å; R716-S718 PolarHBondContact O-N 3.41Å
717	C	90.9	Very high	91.1	Very high	9 Å²	9	56.7 Å²	56.7	6%	0.061	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-71.8	124.2	178.7	-59.2	0	0	0	0	111.5	C140 S712 H715 N724	C140-C717 WeakPolarHBondContact CA-SG 3.42Å; C140-C717 HydrophobicContact CB-CB 3.72Å; C140-C717 WeakPolarHBondContact CB-SG 3.5Å; C140-C717 WeakPolarHBondContact SG-CA 3.17Å; C140-C717 WeakPolarHBondContact SG-CB 3.49Å; C140-C717 CovalentContact SG-SG 2.04Å; C140-C717 PolarHBondContact SG-SG 3.26Å; S712-C717 PolarHBondContact O-N 3.49Å; H715-C717 VanDerWaalsContact C-N 3.26Å; H715-C717 PolarHBondContact O-N 3.28Å; C717-N724 HydrophobicContact CB-CB 3.75Å; C717-N724 PolarHBondContact O-ND2 2.96Å
718	S	90.9	Very high	91	Very high	84 Å²	84	58.5 Å²	58.5	59%	0.587	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-60.9	145.4	176.6	57.1	0	0	0	0	111.2	R716 G720 S721	R716-S718 PolarHBondContact O-N 3.41Å; S718-G720 PolarHBondContact O-N 3.5Å; S718-S721 VanDerWaalsContact O-CB 3.28Å; S718-S721 WeakPolarHBondContact O-CB 3.29Å; S718-S721 PolarHBondContact O-N 2.94Å; S718-S721 PolarHBondContact O-OG 2.97Å
719	S	91.2	Very high	90.8	Very high	93 Å²	93	58.3 Å²	58.3	65%	0.65	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	135.1	172.9	-166.1	0	0	0	0	110.5	S721	S719-S721 VanDerWaalsContact C-N 3.27Å; S719-S721 PolarHBondContact O-N 2.87Å
720	G	88.7	Confident	90.3	Very high	50 Å²	50	56.7 Å²	56.7	52%	0.515	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	81	-2.5	-178.1	0	0	0	0	0	115	S718 N724	S718-G720 PolarHBondContact O-N 3.5Å; G720-N724 PolarHBondContact N-O 3.34Å
721	S	89.6	Confident	89.5	Confident	22 Å²	22	54.2 Å²	54.2	15%	0.154	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-64.9	158.9	168.4	61.8	0	0	0	0	110.8	S718 S719 M723 N724	S718-S721 VanDerWaalsContact O-CB 3.28Å; S718-S721 WeakPolarHBondContact O-CB 3.29Å; S718-S721 PolarHBondContact O-N 2.94Å; S718-S721 PolarHBondContact O-OG 2.97Å; S719-S721 VanDerWaalsContact C-N 3.27Å; S719-S721 PolarHBondContact O-N 2.87Å; S721-M723 PolarHBondContact O-N 3.23Å; S721-M723 VanDerWaalsContact O-N 3.14Å; S721-N724 CarbonylContact O-C 3.58Å; S721-N724 WeakPolarHBondContact O-CA 3.26Å; S721-N724 PolarHBondContact O-N 3.35Å; S721-N724 WeakPolarHBondContact OG-CB 3.33Å; S721-N724 PolarHBondContact OG-N 3.17Å
722	K	88.3	Confident	88.2	Confident	138 Å²	138	56 Å²	56	60%	0.6	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-35.9	-177.2	-176.7	175.6	168.3	-161.6	0	113	V141	V141-K722 WeakPolarHBondContact O-CD 3.49Å
723	M	90	Very high	86.2	Confident	2 Å²	2	60.3 Å²	60.3	1%	0.01	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-2.4	177.3	-64.3	-57.6	-62.4	0	0	114.2	A139 C140 N702 L705 K706 F711 S721 P725	A139-M723 WeakPolarHBondContact O-CG 3.48Å; C140-M723 WeakPolarHBondContact O-CB 3.38Å; C140-M723 WeakPolarHBondContact O-CG 3.34Å; C140-M723 PolarHBondContact O-N 3.44Å; N702-M723 HydrophobicContact CB-CE 4.11Å; N702-M723 HydrophobicContact CB-SD 3.75Å; L705-M723 HydrophobicContact CB-CE 3.59Å; K706-M723 WeakPolarHBondContact CA-O 3.31Å; F711-M723 HydrophobicContact CD1-CE 4.46Å; F711-M723 HydrophobicContact CE1-CB 4.03Å; F711-M723 HydrophobicContact CE1-CE 3.76Å; F711-M723 HydrophobicContact CZ-CE 4.14Å; S721-M723 PolarHBondContact O-N 3.23Å; S721-M723 VanDerWaalsContact O-N 3.14Å; M723-P725 VanDerWaalsContact C-CD 3.49Å
724	N	93.2	Very high	83.8	Confident	12 Å²	12	62.7 Å²	62.7	6%	0.064	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-134.6	60.7	172.6	-167.1	28	0	0	0	111.1	S712 C717 G720 S721 K728	S712-N724 VanDerWaalsContact CB-CG 3.45Å; S712-N724 WeakPolarHBondContact CB-OD1 3.26Å; S712-N724 VanDerWaalsContact OG-CB 3.31Å; S712-N724 WeakPolarHBondContact OG-CB 3.48Å; S712-N724 PolarHBondContact OG-OD1 3.37Å; C717-N724 HydrophobicContact CB-CB 3.75Å; C717-N724 PolarHBondContact O-ND2 2.96Å; G720-N724 PolarHBondContact N-O 3.34Å; S721-N724 CarbonylContact O-C 3.58Å; S721-N724 WeakPolarHBondContact O-CA 3.26Å; S721-N724 PolarHBondContact O-N 3.35Å; S721-N724 WeakPolarHBondContact OG-CB 3.33Å; S721-N724 PolarHBondContact OG-N 3.17Å; N724-K728 WeakPolarHBondContact OD1-CE 3.12Å; N724-K728 PolarHBondContact OD1-NZ 3.19Å
725	P	91.9	Very high	80.8	Confident	34 Å²	34	69.7 Å²	69.7	22%	0.221	40%	0.396	C	S	.	.			trans	-63.5	152.2	176.6	29.9	-36.2	0	0	0	110.4	K706 M723 N727	K706-P725 HydrophobicContact CB-CG 4.23Å; K706-P725 HydrophobicContact CG-CG 4.48Å; K706-P725 WeakPolarHBondContact O-CD 3.31Å; M723-P725 VanDerWaalsContact C-CD 3.49Å; P725-N727 VanDerWaalsContact C-N 3.33Å; P725-N727 PolarHBondContact O-N 3.02Å
726	E	88.8	Confident	80.4	Confident	155 Å²	155	72.7 Å²	72.7	72%	0.724	41%	0.414	S	S	*	.	S	Bend	trans	-64	-39.5	178.4	-62.5	-176.7	166.4	0	0	111.7	K728	E726-K728 PolarHBondContact O-N 3.44Å
727	N	87.4	Confident	79.8	Confident	124 Å²	124	66.4 Å²	66.4	66%	0.663	40%	0.397	S	S	*	.			trans	-92	86.5	-178.6	-66	-17.9	0	0	0	111.5	Q629 P725	Q629-N727 PolarHBondContact NE2-O 3.15Å; P725-N727 VanDerWaalsContact C-N 3.33Å; P725-N727 PolarHBondContact O-N 3.02Å
728	K	91.3	Very high	79.2	Confident	37 Å²	37	69.6 Å²	69.6	16%	0.161	42%	0.416	C	S	.	.			trans	-88.5	116.8	172.2	-67.2	176.1	179.9	-82.6	0	110.7	K706 S708 Q709 S712 N724 E726 L730	K706-K728 PolarHBondContact O-NZ 3.32Å; S708-K728 PolarHBondContact O-NZ 3.45Å; Q709-K728 HydrophobicContact CB-CD 4.48Å; S712-K728 PolarHBondContact OG-NZ 3.46Å; S712-K728 VanDerWaalsContact OG-NZ 3.12Å; N724-K728 WeakPolarHBondContact OD1-CE 3.12Å; N724-K728 PolarHBondContact OD1-NZ 3.19Å; E726-K728 PolarHBondContact O-N 3.44Å; K728-L730 HydrophobicContact CB-CD1 4.44Å; K728-L730 HydrophobicContact CB-CG 4.29Å; K728-L730 PolarHBondContact O-N 3.4Å
729	C	89.3	Confident	78.5	Confident	2 Å²	2	68.8 Å²	68.8	1%	0.014	41%	0.406	C	S	.	.			trans	-80.7	95.3	174.1	-51.8	0	0	0	0	112.2	Q622 C625 L626 H707	Q622-C729 HydrophobicContact CG-CB 4.18Å; Q622-C729 PolarHBondContact NE2-O 3.37Å; C625-C729 HydrophobicContact CB-CB 3.69Å; C625-C729 WeakPolarHBondContact CB-SG 3.31Å; C625-C729 PolarHBondContact O-SG 2.94Å; C625-C729 WeakPolarHBondContact SG-CA 3.38Å; C625-C729 WeakPolarHBondContact SG-CB 3.38Å; C625-C729 CovalentContact SG-SG 2.04Å; C625-C729 PolarHBondContact SG-SG 3.14Å; L626-C729 HydrophobicContact CD2-CB 3.77Å; L626-C729 HydrophobicContact CG-CB 3.93Å; L626-C729 PolarHBondContact N-SG 3.36Å; H707-C729 PolarHBondContact ND1-N 2.68Å; H707-C729 PolarHBondContact ND1-O 3.49Å
730	L	82.3	Confident	77.7	Confident	40 Å²	40	67.3 Å²	67.3	21%	0.209	39%	0.391	C	S	.	.			trans	-117.4	140.1	-179.4	-62.8	-179.6	0	0	0	110.3	I647 M651 H707 K728 W732	I647-L730 HydrophobicContact CG2-CD2 3.91Å; M651-L730 HydrophobicContact CE-CD1 3.8Å; M651-L730 HydrophobicContact CE-CD2 3.67Å; M651-L730 HydrophobicContact CE-CG 4.25Å; M651-L730 HydrophobicContact SD-CD2 3.27Å; M651-L730 WeakPolarHBondContact SD-CD2 3.28Å; M651-L730 HydrophobicContact SD-CG 4.38Å; H707-L730 HydrophobicContact CB-CD2 4.06Å; H707-L730 VanDerWaalsContact O-CD2 3.28Å; H707-L730 WeakPolarHBondContact O-CD2 3.43Å; K728-L730 HydrophobicContact CB-CD1 4.44Å; K728-L730 HydrophobicContact CB-CG 4.29Å; K728-L730 PolarHBondContact O-N 3.4Å; L730-W732 VanDerWaalsContact C-N 3.29Å
731	L	75.2	Confident	77	Confident	15 Å²	15	68.4 Å²	68.4	8%	0.079	38%	0.383	C	S	.	.	S	Bend	trans	-73.4	-30.2	173.1	-151.5	105.3	0	0	0	110.9	M592 N596 Q622 N648	M592-L731 HydrophobicContact CE-CD2 4.3Å; N596-L731 VanDerWaalsContact OD1-CD2 3.32Å; N596-L731 WeakPolarHBondContact OD1-CD2 3.09Å; Q622-L731 HydrophobicContact CB-CD1 4.13Å; N648-L731 VanDerWaalsContact OD1-CB 3.22Å; N648-L731 WeakPolarHBondContact OD1-CB 3.39Å; N648-L731 PolarHBondContact OD1-N 2.93Å
732	W	65.9	Low	76.1	Confident	37 Å²	37	71.7 Å²	71.7	14%	0.14	40%	0.399	C	S	.	.			trans	-134.5	86.4	-174.1	-40.6	-48.8	0	0	0	110.2	L458 M465 M592 L652 L730	L458-W732 HydrophobicContact CD1-CH2 3.58Å; L458-W732 HydrophobicContact CD1-CZ2 3.84Å; M465-W732 HydrophobicContact CE-CB 4.12Å; M465-W732 HydrophobicContact CE-CD2 3.74Å; M465-W732 VanDerWaalsContact CE-CE2 3.5Å; M465-W732 HydrophobicContact CE-CG 3.43Å; M465-W732 VanDerWaalsContact CE-CG 3.43Å; M465-W732 HydrophobicContact CE-CZ2 4.18Å; M465-W732 HydrophobicContact SD-CG 4.46Å; M592-W732 HydrophobicContact CE-CH2 3.27Å; M592-W732 HydrophobicContact CE-CZ2 3.04Å; M592-W732 HydrophobicContact CE-CZ3 4.06Å; M592-W732 HydrophobicContact CG-CH2 4.32Å; M592-W732 HydrophobicContact SD-CH2 2.99Å; M592-W732 WeakPolarHBondContact SD-CH2 3.05Å; M592-W732 HydrophobicContact SD-CZ2 3.37Å; M592-W732 WeakPolarHBondContact SD-CZ2 3.38Å; M592-W732 HydrophobicContact SD-CZ3 3.89Å; L652-W732 HydrophobicContact CB-CZ3 4.39Å; L730-W732 VanDerWaalsContact C-N 3.29Å
733	S	52.1	Low	75.1	Confident	91 Å²	91	66.6 Å²	66.6	64%	0.636	38%	0.383	S	S	*	.			trans	-86.8	123.4	158	54.5	0	0	0	0	108.1	A735	S733-A735 PolarHBondContact O-N 2.91Å
734	E	41.7	Very low	73.9	Confident	155 Å²	155	72 Å²	72	72%	0.724	42%	0.415	S	S	*	.			trans	-59.4	120.7	157.6	-68.2	177.6	-168.3	0	0	106.1	K655	K655-E734 IonicContact NZ-OE1 3.32Å; K655-E734 PolarHBondContact NZ-OE1 3.38Å
735	A	27.8	Very low	72.2	Confident	162 Å²	162	77.5 Å²	77.5	100%	1.339	45%	0.446	S	S	*	.			trans	-58.4	0	-169.1	0	0	0	0	0	114.1	S733	S733-A735 PolarHBondContact O-N 2.91Å

Retrieved 735 of 735 residues in 376.8 ms (Link to these results)

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