A0A5K4FD16_SCHMA Loading...

Peptidase_M16 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FD16, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 465 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	29.4	Very low	26.4	Very low	251 Å²	251	160.8 Å²	160.8	100%	1.236	85%	0.847	S	S	*	*				0	134	0	-72.7	170.8	92.9	0	0	108.5
2	S	24	Very low	26.5	Very low	112 Å²	112	162.6 Å²	162.6	78%	0.783	85%	0.847	S	S	*	*			trans	-66	148.3	-174.3	169.3	0	0	0	0	114.3
3	S	27.5	Very low	26.7	Very low	104 Å²	104	162.2 Å²	162.2	73%	0.727	85%	0.846	S	S	*	*			trans	165.3	96.2	132.7	179.2	0	0	0	0	109
4	S	22	Very low	26.9	Very low	107 Å²	107	163.9 Å²	163.9	75%	0.748	84%	0.843	S	S	*	*				62.3	109.4	91.9	-58.2	0	0	0	0	114.9
5	S	27.7	Very low	27.3	Very low	126 Å²	126	161.2 Å²	161.2	88%	0.881	84%	0.84	S	S	*	*				-161	138.3	120	-159.8	0	0	0	0	111.5
6	R	24.2	Very low	27.4	Very low	229 Å²	229	165.7 Å²	165.7	86%	0.864	84%	0.842	S	S	*	*			trans	-81.9	146.9	-175.9	-61.3	170.3	176.5	174.1	-2.2	109.9
7	F	28	Very low	27.6	Very low	213 Å²	213	161.2 Å²	161.2	93%	0.934	84%	0.836	S	S	*	*			trans	-147.7	130.5	135.6	-119.7	-87.9	0	0	0	110.1
8	R	22.8	Very low	27.9	Very low	230 Å²	230	158 Å²	158	87%	0.868	83%	0.825	S	S	*	*			trans	-124.2	116.9	-171.2	-179.7	-163.5	-149.4	-163.5	7.6	105.8
9	V	29	Very low	27.8	Very low	115 Å²	115	157.6 Å²	157.6	70%	0.697	82%	0.824	S	S	*	*			trans	-151.1	86.8	150.6	-174.5	0	0	0	0	107.7	T11	V9-T11 HydrophobicContact CG1-CG2 4.12Å
10	L	24.6	Very low	28	Very low	172 Å²	172	156 Å²	156	90%	0.901	82%	0.815	S	S	*	*			trans	-93.1	78.8	161.7	-84	163.7	0	0	0	107.2	Q12	L10-Q12 PolarHBondContact O-N 2.86Å
11	T	30.7	Very low	28	Very low	110 Å²	110	153 Å²	153	68%	0.675	81%	0.812	S	S	*	*			trans	-78	103.5	161.1	31.7	0	0	0	0	107.7	V9 L13	V9-T11 HydrophobicContact CG1-CG2 4.12Å; T11-L13 VanDerWaalsContact C-N 3.31Å; T11-L13 PolarHBondContact O-N 3.29Å
12	Q	28.1	Very low	28.1	Very low	182 Å²	182	145.7 Å²	145.7	85%	0.85	78%	0.782	S	S	*	*			trans	-51.5	88.3	167.1	-70.3	-94.3	1.6	0	0	110.1	L10 K14	L10-Q12 PolarHBondContact O-N 2.86Å; Q12-K14 PolarHBondContact O-N 3.13Å; Q12-K14 VanDerWaalsContact O-N 3.13Å
13	L	29.4	Very low	28.3	Very low	158 Å²	158	144.3 Å²	144.3	83%	0.827	77%	0.773	S	S	*	*			trans	-74.4	99.7	162.9	-81.2	160.3	0	0	0	106.4	T11	T11-L13 VanDerWaalsContact C-N 3.31Å; T11-L13 PolarHBondContact O-N 3.29Å
14	K	28.6	Very low	28.3	Very low	186 Å²	186	145.1 Å²	145.1	81%	0.809	78%	0.777	S	S	*	*			trans	-46.3	129.4	164.8	-81.6	-177	175	-179.7	0	107.7	Q12 R16	Q12-K14 PolarHBondContact O-N 3.13Å; Q12-K14 VanDerWaalsContact O-N 3.13Å; K14-R16 PolarHBondContact O-N 2.98Å
15	P	34.2	Very low	28.6	Very low	123 Å²	123	147.8 Å²	147.8	80%	0.799	78%	0.777	S	S	*	*			trans	-62.6	107.8	174.5	25	-30.2	0	0	0	106.7	A17	P15-A17 VanDerWaalsContact C-N 3.34Å; P15-A17 PolarHBondContact O-N 2.88Å
16	R	29	Very low	29	Very low	233 Å²	233	147.4 Å²	147.4	88%	0.879	77%	0.769	S	S	*	*			trans	-57.6	111.2	156.6	-98.1	-177.5	166.9	173.8	-3.8	104	K14 V18	K14-R16 PolarHBondContact O-N 2.98Å; R16-V18 PolarHBondContact O-N 2.72Å
17	A	29.8	Very low	29.5	Very low	89 Å²	89	138.7 Å²	138.7	74%	0.736	75%	0.751	S	S	*	*			trans	-58.9	85.8	162.3	0	0	0	0	0	106.1	P15 N19	P15-A17 VanDerWaalsContact C-N 3.34Å; P15-A17 PolarHBondContact O-N 2.88Å; A17-N19 VanDerWaalsContact C-N 3.27Å; A17-N19 PolarHBondContact O-N 2.7Å
18	V	32.8	Very low	30	Very low	104 Å²	104	140 Å²	140	63%	0.63	75%	0.75	S	S	*	*			trans	-67.8	104.9	160.3	-174.2	0	0	0	0	102.2	R16 I20	R16-V18 PolarHBondContact O-N 2.72Å; V18-I20 HydrophobicContact CB-CD1 4.43Å; V18-I20 HydrophobicContact CB-CG1 3.94Å; V18-I20 HydrophobicContact CG1-CD1 4.12Å; V18-I20 HydrophobicContact CG1-CG1 3.43Å; V18-I20 VanDerWaalsContact CG1-CG1 3.43Å; V18-I20 PolarHBondContact O-N 3.05Å
19	N	26.4	Very low	31.2	Very low	150 Å²	150	136 Å²	136	80%	0.802	74%	0.741	S	S	*	*			trans	-59	80.4	161.4	-81.3	-20.3	0	0	0	106.7	A17 A21	A17-N19 VanDerWaalsContact C-N 3.27Å; A17-N19 PolarHBondContact O-N 2.7Å; N19-A21 PolarHBondContact O-N 3.16Å
20	I	31.7	Very low	32.4	Very low	126 Å²	126	135.7 Å²	135.7	65%	0.646	73%	0.73	S	S	*	*			trans	-78.1	62.4	160.8	-56.7	-175.8	0	0	0	104.6	V18 T22	V18-I20 HydrophobicContact CB-CD1 4.43Å; V18-I20 HydrophobicContact CB-CG1 3.94Å; V18-I20 HydrophobicContact CG1-CD1 4.12Å; V18-I20 HydrophobicContact CG1-CG1 3.43Å; V18-I20 VanDerWaalsContact CG1-CG1 3.43Å; V18-I20 PolarHBondContact O-N 3.05Å; I20-T22 WeakPolarHBondContact CG2-OG1 2.9Å; I20-T22 PolarHBondContact O-N 2.94Å
21	A	27.6	Very low	34.7	Very low	93 Å²	93	132.5 Å²	132.5	77%	0.769	71%	0.714	S	S	*	*			trans	-82	44.2	147.8	0	0	0	0	0	107.1	N19 S23	N19-A21 PolarHBondContact O-N 3.16Å; A21-S23 VanDerWaalsContact C-N 3.33Å; A21-S23 PolarHBondContact O-N 3.36Å; A21-S23 VanDerWaalsContact O-N 3.16Å
22	T	32.6	Very low	37.1	Very low	98 Å²	98	129 Å²	129	60%	0.601	69%	0.693	S	S	*	*			trans	-67.3	111.9	149.2	20.1	0	0	0	0	103.4	I20 C24	I20-T22 WeakPolarHBondContact CG2-OG1 2.9Å; I20-T22 PolarHBondContact O-N 2.94Å; T22-C24 PolarHBondContact O-N 3.02Å
23	S	27.4	Very low	39.8	Very low	83 Å²	83	122.4 Å²	122.4	58%	0.58	67%	0.666	S	S	*	*			trans	-29.8	120	146.4	45.7	0	0	0	0	107	A21 Q25	A21-S23 VanDerWaalsContact C-N 3.33Å; A21-S23 PolarHBondContact O-N 3.36Å; A21-S23 VanDerWaalsContact O-N 3.16Å; S23-Q25 PolarHBondContact O-N 2.63Å
24	C	27.1	Very low	42.6	Very low	120 Å²	120	117 Å²	117	81%	0.811	64%	0.64	S	S	*	*			trans	-60.6	81.5	159.3	-70.6	0	0	0	0	104.3	T22 V26	T22-C24 PolarHBondContact O-N 3.02Å; C24-V26 PolarHBondContact O-N 2.78Å
25	Q	29.9	Very low	45.5	Very low	163 Å²	163	111.5 Å²	111.5	76%	0.762	62%	0.622	S	S	*	*			trans	-58.7	93.5	153.4	-69.3	-169.3	-8.5	0	0	101.5	S23 G27	S23-Q25 PolarHBondContact O-N 2.63Å; Q25-G27 PolarHBondContact O-N 2.98Å
26	V	34.6	Very low	48.2	Very low	118 Å²	118	110.5 Å²	110.5	72%	0.715	61%	0.607	S	S	*	*			trans	-58	88.8	162.3	177.9	0	0	0	0	102.4	C24 R28	C24-V26 PolarHBondContact O-N 2.78Å; V26-R28 PolarHBondContact O-N 2.69Å; V26-R28 VanDerWaalsContact O-N 3.17Å
27	G	36.3	Very low	51	Low	47 Å²	47	100.2 Å²	100.2	49%	0.485	57%	0.571	S	S	.	*			trans	-50	128.7	177.7	0	0	0	0	0	105.7	Q25 Q29	Q25-G27 PolarHBondContact O-N 2.98Å; G27-Q29 PolarHBondContact O-N 3.17Å
28	R	38	Very low	53.7	Low	241 Å²	241	101.2 Å²	101.2	91%	0.909	58%	0.579	S	S	*	*			trans	-36.2	105.1	-178.9	-165.8	177.8	-172.5	175.4	1.7	108.5	V26 K30	V26-R28 PolarHBondContact O-N 2.69Å; V26-R28 VanDerWaalsContact O-N 3.17Å; R28-K30 PolarHBondContact O-N 3.39Å
29	Q	47.2	Very low	56.2	Low	146 Å²	146	101 Å²	101	68%	0.682	57%	0.571	S	S	*	*			trans	-59.2	110.3	-172.8	-175.9	175.6	-0.4	0	0	106.7	G27 D31	G27-Q29 PolarHBondContact O-N 3.17Å; Q29-D31 PolarHBondContact O-N 3.33Å
30	K	53.8	Low	59.2	Low	108 Å²	108	94.2 Å²	94.2	47%	0.47	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-59.8	132.6	165.6	-76	-179.6	177.5	171.2	0	105.7	R28 P47 S231	R28-K30 PolarHBondContact O-N 3.39Å; K30-P47 HydrophobicContact CB-CB 4.29Å; K30-P47 HydrophobicContact CB-CG 4.01Å; K30-P47 WeakPolarHBondContact O-CG 3.28Å; K30-S231 WeakPolarHBondContact CE-O 3.46Å; K30-S231 PolarHBondContact NZ-O 3.1Å
31	D	73.2	Confident	62.1	Low	104 Å²	104	88.3 Å²	88.3	56%	0.556	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-69.1	164.1	172.6	-97.4	-47.9	0	0	0	109.8	Q29 S33 K415	Q29-D31 PolarHBondContact O-N 3.33Å; D31-S33 PolarHBondContact O-N 3.41Å; D31-K415 IonicContact OD1-NZ 2.82Å; D31-K415 PolarHBondContact OD1-NZ 3.2Å; D31-K415 IonicContact OD2-NZ 3.69Å
32	V	81.4	Confident	65.3	Low	38 Å²	38	85.1 Å²	85.1	23%	0.23	48%	0.475	C	S	.	.	P	Polyproline II helix	trans	-56.2	123	168.9	175.9	0	0	0	0	108.8	V34 V44 L46 I401 F413	V32-V34 HydrophobicContact CG1-CG2 4.11Å; V32-V44 HydrophobicContact CG1-CG1 4.4Å; V32-L46 HydrophobicContact CB-CD2 3.94Å; V32-L46 HydrophobicContact CG1-CD2 3.52Å; V32-L46 HydrophobicContact CG2-CD2 3.34Å; V32-I401 HydrophobicContact CG1-CD1 4.46Å; V32-F413 HydrophobicContact CB-CE2 3.82Å; V32-F413 HydrophobicContact CB-CZ 3.67Å; V32-F413 HydrophobicContact CG1-CE1 4.25Å; V32-F413 HydrophobicContact CG1-CE2 3.75Å; V32-F413 HydrophobicContact CG1-CZ 3.6Å; V32-F413 HydrophobicContact CG2-CE2 4.21Å
33	S	85.6	Confident	68.2	Low	42 Å²	42	80.7 Å²	80.7	29%	0.294	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	120.9	176.2	61.7	0	0	0	0	109.9	D31 S45	D31-S33 PolarHBondContact O-N 3.41Å; S33-S45 PolarHBondContact N-O 3.13Å; S33-S45 VanDerWaalsContact N-O 3.13Å; S33-S45 PolarHBondContact O-N 3.13Å; S33-S45 WeakPolarHBondContact OG-CB 3.44Å
34	V	88.1	Confident	71.2	Confident	45 Å²	45	76.7 Å²	76.7	27%	0.273	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	135.8	173	-178.1	0	0	0	0	108.2	V32 L43 V44 L405 F413	V32-V34 HydrophobicContact CG1-CG2 4.11Å; V34-L43 WeakPolarHBondContact CA-O 3.31Å; V34-V44 HydrophobicContact CG2-CG1 4.49Å; V34-V44 HydrophobicContact CG2-CG2 4.44Å; V34-L405 HydrophobicContact CG1-CD1 3.76Å; V34-L405 HydrophobicContact CG1-CD2 4.09Å; V34-L405 HydrophobicContact CG2-CD1 4.19Å; V34-F413 HydrophobicContact CB-CE1 4.37Å; V34-F413 HydrophobicContact CG2-CD1 3.65Å; V34-F413 HydrophobicContact CG2-CE1 3.51Å; V34-F413 HydrophobicContact CG2-CZ 4.32Å
35	T	89.9	Confident	74.3	Confident	71 Å²	71	71.5 Å²	71.5	44%	0.436	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	151.2	175.9	-53.5	0	0	0	0	109.2	L43 M236	T35-L43 PolarHBondContact N-O 3.16Å; T35-L43 WeakPolarHBondContact O-CA 3.47Å; T35-L43 WeakPolarHBondContact O-CB 3.46Å; T35-L43 PolarHBondContact O-N 3.3Å; T35-M236 WeakPolarHBondContact OG1-CE 3.41Å
36	Q	89.5	Confident	77	Confident	101 Å²	101	64.5 Å²	64.5	47%	0.472	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	139.5	172.6	-163	178	10.9	0	0	110.3	G40	Q36-G40 PolarHBondContact NE2-O 2.68Å
37	S	88	Confident	79.2	Confident	18 Å²	18	61 Å²	61	13%	0.126	33%	0.332	C	S	.	.			trans	-82.8	162.6	171.8	64.7	0	0	0	0	112.2	E39 G40 I41 K243	S37-E39 PolarHBondContact O-N 3.23Å; S37-G40 PolarHBondContact O-N 3.29Å; S37-I41 PolarHBondContact N-O 3.39Å; S37-I41 WeakPolarHBondContact OG-CA 3.19Å; S37-I41 VanDerWaalsContact OG-CB 3.3Å; S37-I41 WeakPolarHBondContact OG-CB 3.35Å; S37-I41 PolarHBondContact OG-N 3.46Å; S37-I41 PolarHBondContact OG-O 3.18Å; S37-K243 WeakPolarHBondContact OG-CE 3.11Å
38	A	86.7	Confident	80.9	Confident	109 Å²	109	61.4 Å²	61.4	90%	0.901	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-29.8	-179.7	0	0	0	0	0	113.6	G40	A38-G40 VanDerWaalsContact C-N 3.27Å
39	E	86.4	Confident	81.9	Confident	101 Å²	101	56.2 Å²	56.2	47%	0.472	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	0.6	-179.8	-52.6	87.3	142	0	0	111.8	S37 G219 K243 L248	S37-E39 PolarHBondContact O-N 3.23Å; E39-G219 WeakPolarHBondContact O-CA 3.34Å; E39-K243 IonicContact OE1-NZ 3.82Å; E39-K243 PolarHBondContact OE1-NZ 2.98Å; E39-K243 WeakPolarHBondContact OE2-CE 3.31Å; E39-K243 IonicContact OE2-NZ 3.82Å; E39-K243 PolarHBondContact OE2-NZ 3.13Å; E39-L248 HydrophobicContact CB-CD1 3.55Å; E39-L248 HydrophobicContact CG-CD1 4.32Å
40	G	89	Confident	82.2	Confident	7 Å²	7	53.4 Å²	53.4	7%	0.072	31%	0.307	C	S	.	.	S	Bend	trans	96	-8.3	174.5	0	0	0	0	0	115.7	Q36 S37 A38 K42 G219	Q36-G40 PolarHBondContact NE2-O 2.68Å; S37-G40 PolarHBondContact O-N 3.29Å; A38-G40 VanDerWaalsContact C-N 3.27Å; G40-K42 PolarHBondContact O-N 2.78Å; G40-G219 CarbonylContact C-O 3.49Å; G40-G219 CarbonylContact O-C 3.54Å
41	I	92.6	Very high	82.3	Confident	1 Å²	1	56 Å²	56	1%	0.005	33%	0.325	C	S	.	.			trans	-63.8	130.3	177.8	-55.6	169.3	0	0	0	109.8	S37 L43 G219 C222 L224 K243 I246 L248	S37-I41 PolarHBondContact N-O 3.39Å; S37-I41 WeakPolarHBondContact OG-CA 3.19Å; S37-I41 VanDerWaalsContact OG-CB 3.3Å; S37-I41 WeakPolarHBondContact OG-CB 3.35Å; S37-I41 PolarHBondContact OG-N 3.46Å; S37-I41 PolarHBondContact OG-O 3.18Å; I41-L43 HydrophobicContact CG2-CD2 4.02Å; I41-G219 VanDerWaalsContact CA-O 3.32Å; I41-G219 WeakPolarHBondContact CA-O 3.26Å; I41-G219 PolarHBondContact N-O 3.37Å; I41-C222 HydrophobicContact CG1-CB 4.26Å; I41-C222 HydrophobicContact CG2-CB 4.3Å; I41-L224 HydrophobicContact CG2-CB 4.22Å; I41-K243 HydrophobicContact CD1-CD 4.36Å; I41-K243 HydrophobicContact CD1-CG 3.84Å; I41-I246 HydrophobicContact CD1-CB 4.4Å; I41-I246 HydrophobicContact CD1-CD1 3.94Å; I41-I246 HydrophobicContact CD1-CG2 4.3Å; I41-L248 HydrophobicContact CD1-CD1 3.74Å; I41-L248 HydrophobicContact CD1-CD2 4.09Å; I41-L248 HydrophobicContact CD1-CG 4.2Å; I41-L248 HydrophobicContact CG1-CD1 3.91Å; I41-L248 HydrophobicContact CG1-CD2 4.27Å
42	K	93.2	Very high	81.3	Confident	26 Å²	26	53.9 Å²	53.9	11%	0.113	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	123.1	174.3	-62.8	-179.2	178.1	167.4	0	109.8	G40 C222 A223 L224 L405	G40-K42 PolarHBondContact O-N 2.78Å; K42-C222 PolarHBondContact N-O 3.19Å; K42-C222 VanDerWaalsContact N-O 3.1Å; K42-A223 HydrophobicContact CB-CB 4.22Å; K42-A223 CarbonylContact O-C 3.54Å; K42-A223 VanDerWaalsContact O-CA 3.26Å; K42-A223 WeakPolarHBondContact O-CA 3.31Å; K42-L224 PolarHBondContact O-N 3.09Å; K42-L405 HydrophobicContact CD-CB 3.94Å; K42-L405 PolarHBondContact NZ-O 2.56Å
43	L	93.7	Very high	80.2	Confident	5 Å²	5	61.8 Å²	61.8	3%	0.026	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	130	-179.3	-57.5	-178	0	0	0	109.7	V34 T35 I41 L224 M236 L239	V34-L43 WeakPolarHBondContact CA-O 3.31Å; T35-L43 PolarHBondContact N-O 3.16Å; T35-L43 WeakPolarHBondContact O-CA 3.47Å; T35-L43 WeakPolarHBondContact O-CB 3.46Å; T35-L43 PolarHBondContact O-N 3.3Å; I41-L43 HydrophobicContact CG2-CD2 4.02Å; L43-L224 CarbonylContact C-O 3.59Å; L43-L224 VanDerWaalsContact CA-O 3.31Å; L43-L224 WeakPolarHBondContact CA-O 3.28Å; L43-L224 HydrophobicContact CD2-CB 3.91Å; L43-L224 HydrophobicContact CD2-CD2 4.15Å; L43-L224 HydrophobicContact CD2-CG 4.49Å; L43-M236 HydrophobicContact CB-CE 3.75Å; L43-M236 HydrophobicContact CB-SD 4.47Å; L43-M236 HydrophobicContact CD1-CE 4.25Å; L43-L239 HydrophobicContact CB-CD1 4.16Å; L43-L239 HydrophobicContact CD2-CB 4.47Å
44	V	92	Very high	79.8	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	122.3	-178.6	-175.5	0	0	0	0	109.5	V32 V34 L46 L224 G225 I226 L239 L398 I401 L405	V32-V44 HydrophobicContact CG1-CG1 4.4Å; V34-V44 HydrophobicContact CG2-CG1 4.49Å; V34-V44 HydrophobicContact CG2-CG2 4.44Å; V44-L46 HydrophobicContact CG1-CD2 4.44Å; V44-L46 HydrophobicContact CG1-CG 4.39Å; V44-L224 PolarHBondContact N-O 3.41Å; V44-G225 CarbonylContact O-C 3.58Å; V44-G225 WeakPolarHBondContact O-CA 3.15Å; V44-I226 PolarHBondContact O-N 3.02Å; V44-L239 WeakPolarHBondContact O-CD1 3.31Å; V44-L398 HydrophobicContact CB-CD1 4.36Å; V44-L398 HydrophobicContact CG1-CD1 4.07Å; V44-I401 HydrophobicContact CG1-CG2 3.79Å; V44-I401 HydrophobicContact CG2-CG2 4.24Å; V44-L405 HydrophobicContact CG2-CD1 3.36Å
45	S	91.3	Very high	79.8	Confident	11 Å²	11	61.5 Å²	61.5	8%	0.077	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	121.2	171.8	172.4	0	0	0	0	109.9	S33 M236	S33-S45 PolarHBondContact N-O 3.13Å; S33-S45 VanDerWaalsContact N-O 3.13Å; S33-S45 PolarHBondContact O-N 3.13Å; S33-S45 WeakPolarHBondContact OG-CB 3.44Å; S45-M236 VanDerWaalsContact CB-SD 3.5Å
46	L	86.9	Confident	79.9	Confident	16 Å²	16	58.1 Å²	58.1	8%	0.084	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	118.9	174.8	-64.7	-177.6	0	0	0	109.3	V32 V44 Q48 I226 I227 H228 L398 I401	V32-L46 HydrophobicContact CB-CD2 3.94Å; V32-L46 HydrophobicContact CG1-CD2 3.52Å; V32-L46 HydrophobicContact CG2-CD2 3.34Å; V44-L46 HydrophobicContact CG1-CD2 4.44Å; V44-L46 HydrophobicContact CG1-CG 4.39Å; L46-Q48 PolarHBondContact O-N 3.07Å; L46-I226 PolarHBondContact N-O 2.75Å; L46-I227 HydrophobicContact CB-CG1 3.95Å; L46-I227 HydrophobicContact CD1-CG1 4.14Å; L46-I227 WeakPolarHBondContact O-CA 3.49Å; L46-H228 PolarHBondContact O-N 2.87Å; L46-L398 HydrophobicContact CD1-CB 3.88Å; L46-L398 HydrophobicContact CD1-CD1 3.8Å; L46-L398 HydrophobicContact CG-CD1 3.96Å; L46-I401 HydrophobicContact CD1-CD1 4.24Å; L46-I401 HydrophobicContact CD2-CD1 3.73Å
47	P	79.6	Confident	80.1	Confident	44 Å²	44	55.6 Å²	55.6	29%	0.286	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	128.8	168.2	24.4	-22.4	0	0	0	108.9	K30	K30-P47 HydrophobicContact CB-CB 4.29Å; K30-P47 HydrophobicContact CB-CG 4.01Å; K30-P47 WeakPolarHBondContact O-CG 3.28Å
48	Q	72	Confident	80.5	Confident	55 Å²	55	54.8 Å²	54.8	26%	0.257	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-87.9	140.4	172.3	-174.2	156.9	-3.6	0	0	110.3	L46 S50 I227 H228	L46-Q48 PolarHBondContact O-N 3.07Å; Q48-S50 PolarHBondContact O-N 2.81Å; Q48-I227 HydrophobicContact CB-CG2 3.7Å; Q48-I227 HydrophobicContact CG-CG2 4.36Å; Q48-H228 PolarHBondContact N-O 3.19Å
49	L	60.4	Low	81	Confident	132 Å²	132	49.6 Å²	49.6	69%	0.691	28%	0.28	S	S	*	.	P	Polyproline II helix	trans	-59.5	123.8	169.2	-97.2	96.2	0	0	0	109	L51	L49-L51 PolarHBondContact O-N 2.82Å
50	S	53.1	Low	81.5	Confident	88 Å²	88	44.8 Å²	44.8	62%	0.615	26%	0.257	S	S	*	.			trans	-67.6	66.2	-174.2	47.2	0	0	0	0	112.9	Q48 G52	Q48-S50 PolarHBondContact O-N 2.81Å; S50-G52 PolarHBondContact O-N 2.92Å
51	L	55.2	Low	81.9	Confident	161 Å²	161	44.4 Å²	44.4	84%	0.843	25%	0.254	S	S	*	.			trans	-79.5	55.9	162	-84.6	153.7	0	0	0	110	L49 F53	L49-L51 PolarHBondContact O-N 2.82Å; L51-F53 PolarHBondContact O-N 2.92Å
52	G	51.9	Low	82.1	Confident	61 Å²	61	44.4 Å²	44.4	63%	0.629	25%	0.254	S	S	*	.	S	Bend	trans	56.8	-23.3	160.9	0	0	0	0	0	121	S50	S50-G52 PolarHBondContact O-N 2.92Å
53	F	58.7	Low	82.1	Confident	203 Å²	203	45.1 Å²	45.1	89%	0.89	26%	0.257	S	S	*	.			trans	-150.2	53.6	-163.4	-59.6	-74.6	0	0	0	111.8	L51	L51-F53 PolarHBondContact O-N 2.92Å
54	G	77.4	Confident	82.1	Confident	22 Å²	22	45.3 Å²	45.3	23%	0.227	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-92.7	145.4	178.7	0	0	0	0	0	113.6	P124 P229	G54-P124 WeakPolarHBondContact O-CG 3.44Å; G54-P229 WeakPolarHBondContact O-CG 3.31Å
55	C	88.6	Confident	82.2	Confident	59 Å²	59	45.3 Å²	45.3	40%	0.399	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-77.7	144.9	158.6	-62.2	0	0	0	0	109.5	V122	C55-V122 CarbonylContact C-O 3.5Å; C55-V122 WeakPolarHBondContact CA-O 3.45Å; C55-V122 WeakPolarHBondContact CB-O 3.39Å
56	T	92.3	Very high	82.4	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	133.5	165.4	-64.7	0	0	0	0	108.9	I58 D121 V122 P124 A127 I226 I227 H228 P229	T56-I58 HydrophobicContact CG2-CG1 4.3Å; T56-D121 WeakPolarHBondContact O-CA 3.34Å; T56-V122 PolarHBondContact N-O 3.33Å; T56-V122 PolarHBondContact O-N 3.18Å; T56-P124 WeakPolarHBondContact OG1-CA 3.32Å; T56-A127 HydrophobicContact CG2-CB 3.6Å; T56-I226 HydrophobicContact CG2-CD1 3.83Å; T56-I226 HydrophobicContact CG2-CG1 3.85Å; T56-I227 WeakPolarHBondContact CA-O 3.24Å; T56-I227 WeakPolarHBondContact CG2-O 3.34Å; T56-H228 PolarHBondContact OG1-CD2 3.36Å; T56-H228 PolarHBondContact OG1-NE2 3.44Å; T56-P229 VanDerWaalsContact OG1-CD 3.31Å; T56-P229 WeakPolarHBondContact OG1-CD 3.49Å
57	R	93.8	Very high	82.6	Confident	49 Å²	49	45.4 Å²	45.4	19%	0.185	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	130.3	177.6	-51	-167.2	166.5	80.5	-4.1	109.5	V120 D121 I226 I227	R57-V120 CarbonylContact C-O 3.59Å; R57-V120 WeakPolarHBondContact CA-O 3.35Å; R57-D121 WeakPolarHBondContact CB-OD1 3.33Å; R57-D121 WeakPolarHBondContact CD-OD1 3.04Å; R57-D121 WeakPolarHBondContact CG-OD1 3.15Å; R57-D121 IonicContact NE-OD1 2.75Å; R57-D121 PolarHBondContact NE-OD1 2.74Å; R57-D121 IonicContact NE-OD2 3.02Å; R57-I226 CarbonylContact O-C 3.59Å; R57-I226 WeakPolarHBondContact O-CA 3.38Å; R57-I227 HydrophobicContact CB-CB 4.25Å; R57-I227 HydrophobicContact CB-CD1 3.99Å; R57-I227 PolarHBondContact N-O 2.76Å; R57-I227 PolarHBondContact O-N 2.82Å
58	I	96.1	Very high	83.2	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	133.1	175.7	-61.1	168.9	0	0	0	107.5	T56 T119 V120 A127 L134 L224 G225 I226	T56-I58 HydrophobicContact CG2-CG1 4.3Å; I58-T119 CarbonylContact O-C 3.57Å; I58-T119 WeakPolarHBondContact O-CA 3.23Å; I58-V120 HydrophobicContact CB-CG1 3.83Å; I58-V120 PolarHBondContact N-O 2.9Å; I58-V120 PolarHBondContact O-N 2.91Å; I58-A127 VanDerWaalsContact CD1-O 3.27Å; I58-A127 WeakPolarHBondContact CD1-O 3.43Å; I58-L134 HydrophobicContact CG2-CD2 4.19Å; I58-L224 HydrophobicContact CG2-CD1 3.94Å; I58-G225 CarbonylContact C-O 3.37Å; I58-G225 VanDerWaalsContact CA-O 3.31Å; I58-G225 WeakPolarHBondContact CA-O 3.41Å; I58-I226 HydrophobicContact CD1-CD1 4.27Å; I58-I226 HydrophobicContact CG1-CB 4.39Å; I58-I226 HydrophobicContact CG1-CD1 4Å; I58-I226 HydrophobicContact CG1-CG1 3.87Å
59	A	97.1	Very high	84.2	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	129.7	177.8	0	0	0	0	0	110.4	Y118 T119 G225 L395 L398	A59-Y118 CarbonylContact C-O 3.44Å; A59-Y118 VanDerWaalsContact CA-O 3.26Å; A59-Y118 WeakPolarHBondContact CA-O 3.42Å; A59-T119 HydrophobicContact CB-CG2 4.04Å; A59-G225 PolarHBondContact N-O 3.46Å; A59-G225 PolarHBondContact O-N 2.84Å; A59-L395 HydrophobicContact CB-CD1 4.42Å; A59-L398 HydrophobicContact CB-CD2 3.59Å; A59-L398 HydrophobicContact CB-CG 4.27Å
60	L	97.4	Very high	85.6	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	116.2	168.3	176.2	68.4	0	0	0	108	V62 Y118 A138 F217 C222 A223 L224 I246	L60-V62 HydrophobicContact CD1-CG2 4.48Å; L60-V62 HydrophobicContact CD2-CG2 4.33Å; L60-V62 HydrophobicContact CG-CG2 4.04Å; L60-Y118 HydrophobicContact CB-CD2 4.44Å; L60-Y118 HydrophobicContact CD2-CD2 4.2Å; L60-Y118 HydrophobicContact CG-CD2 4.34Å; L60-Y118 PolarHBondContact N-O 3.38Å; L60-Y118 PolarHBondContact O-N 3.48Å; L60-A138 HydrophobicContact CD2-CB 3.86Å; L60-F217 HydrophobicContact CD2-CE1 4.1Å; L60-C222 HydrophobicContact CD1-CB 4.49Å; L60-A223 WeakPolarHBondContact CA-O 3.37Å; L60-L224 HydrophobicContact CB-CD1 4.1Å; L60-L224 HydrophobicContact CD1-CB 4.31Å; L60-L224 HydrophobicContact CD1-CD1 4.19Å; L60-I246 HydrophobicContact CD1-CD1 4.12Å
61	V	96.7	Very high	87.3	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	125.1	176.5	-174.3	0	0	0	0	108.4	H115 I117 C222 A223 T403 L406	V61-H115 HydrophobicContact CG1-CB 4.05Å; V61-I117 HydrophobicContact CG1-CG1 4.2Å; V61-I117 HydrophobicContact CG2-CG1 4.34Å; V61-I117 HydrophobicContact CG2-CG2 4.34Å; V61-C222 WeakPolarHBondContact O-CA 3.43Å; V61-A223 HydrophobicContact CB-CB 4.49Å; V61-A223 PolarHBondContact N-O 3.33Å; V61-A223 PolarHBondContact O-N 3.36Å; V61-T403 HydrophobicContact CG1-CG2 3.95Å; V61-L406 HydrophobicContact CB-CD1 4.05Å; V61-L406 HydrophobicContact CG1-CD1 3.66Å
62	V	96	Very high	88.9	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	135.5	-179.7	-175.9	0	0	0	0	108.9	L60 S64 H115 M116 Y118 G216 F217 K221	L60-V62 HydrophobicContact CD1-CG2 4.48Å; L60-V62 HydrophobicContact CD2-CG2 4.33Å; L60-V62 HydrophobicContact CG-CG2 4.04Å; V62-S64 VanDerWaalsContact C-N 3.25Å; V62-S64 PolarHBondContact O-N 3.23Å; V62-H115 CarbonylContact O-C 3.47Å; V62-H115 VanDerWaalsContact O-CA 3.3Å; V62-H115 WeakPolarHBondContact O-CA 3.3Å; V62-M116 PolarHBondContact N-O 2.8Å; V62-M116 PolarHBondContact O-N 2.95Å; V62-Y118 HydrophobicContact CG2-CD2 4.45Å; V62-Y118 HydrophobicContact CG2-CE2 4.11Å; V62-G216 WeakPolarHBondContact CG1-O 3.28Å; V62-F217 HydrophobicContact CG2-CE1 4.11Å; V62-F217 HydrophobicContact CG2-CZ 4.19Å; V62-K221 CarbonylContact C-O 3.55Å; V62-K221 WeakPolarHBondContact CA-O 3.39Å
63	K	94.2	Very high	90.8	Very high	41 Å²	41	34.3 Å²	34.3	18%	0.178	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	85.2	170.3	-61.9	-177.1	77	160.2	0	109.5	Y68 E114 K221 L406	K63-Y68 HydrophobicContact CB-CE2 4.44Å; K63-E114 CarbonylContact C-O 3.56Å; K63-E114 WeakPolarHBondContact CA-O 3.44Å; K63-K221 HydrophobicContact CB-CB 4.01Å; K63-K221 HydrophobicContact CB-CD 4.47Å; K63-K221 HydrophobicContact CB-CG 4.25Å; K63-K221 HydrophobicContact CD-CB 4.44Å; K63-K221 HydrophobicContact CD-CG 4.3Å; K63-K221 HydrophobicContact CG-CB 4.33Å; K63-K221 PolarHBondContact N-O 2.94Å; K63-L406 HydrophobicContact CD-CB 4.12Å; K63-L406 HydrophobicContact CD-CD2 4.41Å; K63-L406 HydrophobicContact CG-CB 4.06Å; K63-L406 HydrophobicContact CG-CD1 4.13Å; K63-L406 HydrophobicContact CG-CD2 4.3Å; K63-L406 HydrophobicContact CG-CG 4.4Å; K63-L406 PolarHBondContact NZ-O 3.37Å
64	S	93.9	Very high	92.5	Very high	8 Å²	8	28.8 Å²	28.8	6%	0.056	14%	0.143	C	C	.	.			trans	-157.7	142.5	-176.4	-179.2	0	0	0	0	108.3	V62 E114 H115 M116 Y212	V62-S64 VanDerWaalsContact C-N 3.25Å; V62-S64 PolarHBondContact O-N 3.23Å; S64-E114 PolarHBondContact N-O 3.47Å; S64-E114 VanDerWaalsContact N-O 3.12Å; S64-E114 CarbonylContact O-C 3.48Å; S64-H115 CarbonylContact O-C 3.49Å; S64-H115 WeakPolarHBondContact O-CA 3.4Å; S64-H115 PolarHBondContact O-N 3.28Å; S64-H115 VanDerWaalsContact O-N 3.11Å; S64-M116 PolarHBondContact O-N 3.03Å; S64-Y212 PolarHBondContact OG-OH 3Å
65	G	94.1	Very high	93.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	162.1	-178	-171.2	0	0	0	0	0	110.9	R67 Y68 R113 Y212	G65-R67 PolarHBondContact O-N 3.4Å; G65-R67 VanDerWaalsContact O-N 3.14Å; G65-Y68 PolarHBondContact O-N 3.48Å; G65-R113 CarbonylContact C-O 3.44Å; G65-R113 VanDerWaalsContact C-O 3.3Å; G65-R113 WeakPolarHBondContact CA-O 3.49Å; G65-Y212 PolarHBondContact N-OH 3.07Å; G65-Y212 VanDerWaalsContact N-OH 3.07Å; G65-Y212 PolarHBondContact O-OH 2.95Å
66	S	94.1	Very high	93.7	Very high	0 Å²	0	25 Å²	25	0%	0	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-61.2	-25.5	-175.9	69.1	0	0	0	0	113.2	Y68 E69 R113 Y192 S193	S66-Y68 PolarHBondContact O-N 3.13Å; S66-E69 VanDerWaalsContact O-CB 3.29Å; S66-E69 WeakPolarHBondContact O-CB 3.42Å; S66-E69 WeakPolarHBondContact O-CG 3.34Å; S66-E69 PolarHBondContact O-N 3.42Å; S66-E69 VanDerWaalsContact O-N 3.11Å; S66-R113 PolarHBondContact N-O 3.24Å; S66-R113 WeakPolarHBondContact OG-CG 3.19Å; S66-Y192 WeakPolarHBondContact CB-O 3.36Å; S66-Y192 PolarHBondContact OG-O 2.85Å; S66-S193 WeakPolarHBondContact CB-O 3.5Å
67	R	92.5	Very high	93.8	Very high	30 Å²	30	25 Å²	25	11%	0.113	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-56.7	-33.2	173.9	-175.6	-176.8	171.2	129.6	14.2	113.5	G65 E69 R113 E114 C188 G189 L190 D339	G65-R67 PolarHBondContact O-N 3.4Å; G65-R67 VanDerWaalsContact O-N 3.14Å; R67-E69 VanDerWaalsContact C-N 3.29Å; R67-R113 WeakPolarHBondContact CB-O 3.33Å; R67-R113 PolarHBondContact N-O 3.02Å; R67-E114 IonicContact CZ-OE1 2.89Å; R67-E114 IonicContact NH1-OE1 3.41Å; R67-E114 PolarHBondContact NH1-OE1 3.18Å; R67-C188 WeakPolarHBondContact CG-O 3.32Å; R67-G189 WeakPolarHBondContact CA-O 3.39Å; R67-G189 WeakPolarHBondContact O-CA 3.27Å; R67-L190 HydrophobicContact CB-CD2 4.17Å; R67-L190 HydrophobicContact CG-CD2 4.07Å; R67-L190 HydrophobicContact CG-CG 4.38Å; R67-D339 IonicContact CZ-OD1 3.88Å; R67-D339 IonicContact CZ-OD2 3.23Å; R67-D339 IonicContact NH1-OD1 3.36Å; R67-D339 PolarHBondContact NH1-OD1 3.45Å; R67-D339 IonicContact NH1-OD2 2.7Å; R67-D339 IonicContact NH2-OD1 3.43Å; R67-D339 PolarHBondContact NH2-OD1 2.67Å; R67-D339 IonicContact NH2-OD2 2.82Å; R67-D339 PolarHBondContact NH2-OD2 2.67Å
68	Y	91.9	Very high	94	Very high	59 Å²	59	22.8 Å²	22.8	23%	0.231	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-93.3	9.5	-176.5	-56.4	-78.1	0	0	0	112.7	K63 G65 S66 E114	K63-Y68 HydrophobicContact CB-CE2 4.44Å; G65-Y68 PolarHBondContact O-N 3.48Å; S66-Y68 PolarHBondContact O-N 3.13Å; Y68-E114 WeakPolarHBondContact CE2-O 3.28Å
69	E	92.7	Very high	94.1	Very high	14 Å²	14	22.8 Å²	22.8	7%	0.065	11%	0.106	C	C	.	.			trans	-78.5	165	171.3	-58.6	-175.8	173.8	0	0	111.1	S66 R67 R74 G75 I76 S77 Y192 Y212	S66-E69 VanDerWaalsContact O-CB 3.29Å; S66-E69 WeakPolarHBondContact O-CB 3.42Å; S66-E69 WeakPolarHBondContact O-CG 3.34Å; S66-E69 PolarHBondContact O-N 3.42Å; S66-E69 VanDerWaalsContact O-N 3.11Å; R67-E69 VanDerWaalsContact C-N 3.29Å; E69-R74 WeakPolarHBondContact OE2-CA 3.29Å; E69-G75 PolarHBondContact OE1-N 3.11Å; E69-G75 PolarHBondContact OE2-N 3.29Å; E69-I76 HydrophobicContact CG-CG2 3.9Å; E69-I76 PolarHBondContact OE1-N 2.96Å; E69-S77 WeakPolarHBondContact OE1-CB 3.19Å; E69-S77 PolarHBondContact OE1-N 3.42Å; E69-S77 PolarHBondContact OE1-OG 3.42Å; E69-Y192 HydrophobicContact CB-CD2 3.86Å; E69-Y192 HydrophobicContact CB-CE2 4.31Å; E69-Y192 HydrophobicContact CB-CG 4.26Å; E69-Y192 WeakPolarHBondContact O-CE2 3.38Å; E69-Y212 HydrophobicContact CG-CE2 4.16Å
70	S	89.8	Confident	94.1	Very high	35 Å²	35	23 Å²	23	25%	0.245	11%	0.107	C	C	.	.			trans	-126	165.1	172.9	67	0	0	0	0	108.3	K72 N73 R74	S70-K72 PolarHBondContact O-N 3.49Å; S70-N73 WeakPolarHBondContact CA-OD1 3.46Å; S70-N73 WeakPolarHBondContact CB-OD1 3.37Å; S70-N73 PolarHBondContact N-OD1 3.39Å; S70-N73 CarbonylContact O-C 3.54Å; S70-N73 PolarHBondContact O-N 2.87Å; S70-N73 PolarHBondContact O-OD1 2.77Å; S70-N73 VanDerWaalsContact O-OD1 3.08Å; S70-N73 VanDerWaalsContact OG-CG 3.31Å; S70-N73 PolarHBondContact OG-N 3.02Å; S70-N73 PolarHBondContact OG-OD1 2.89Å; S70-R74 VanDerWaalsContact O-CG 3.31Å; S70-R74 WeakPolarHBondContact O-CG 3.26Å; S70-R74 PolarHBondContact O-N 2.9Å
71	S	88.9	Confident	94	Very high	36 Å²	36	25.4 Å²	25.4	25%	0.252	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-33.5	177.9	68.4	0	0	0	0	112.4	R74 D185 Y192	S71-R74 WeakPolarHBondContact O-CG 2.93Å; S71-R74 PolarHBondContact O-NE 3.46Å; S71-D185 WeakPolarHBondContact CB-OD1 3.47Å; S71-D185 WeakPolarHBondContact CB-OD2 3.43Å; S71-D185 PolarHBondContact N-OD1 3.08Å; S71-D185 PolarHBondContact OG-OD1 2.88Å; S71-D185 VanDerWaalsContact OG-OD1 3.08Å; S71-D185 PolarHBondContact OG-OD2 2.72Å; S71-Y192 PolarHBondContact N-OH 2.85Å
72	K	89.4	Confident	94	Very high	153 Å²	153	29.3 Å²	29.3	67%	0.665	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-30.9	180	-63.9	-176.6	-177.9	177.8	0	113.4	S70 R200	S70-K72 PolarHBondContact O-N 3.49Å; K72-R200 PolarHBondContact O-NH2 2.78Å
73	N	92.1	Very high	94	Very high	10 Å²	10	29.4 Å²	29.4	5%	0.053	13%	0.132	C	C	.	.	S	Bend	trans	-118.2	28	-177.5	69.4	-7.4	0	0	0	113.5	S70 G75 I76	S70-N73 WeakPolarHBondContact CA-OD1 3.46Å; S70-N73 WeakPolarHBondContact CB-OD1 3.37Å; S70-N73 PolarHBondContact N-OD1 3.39Å; S70-N73 CarbonylContact O-C 3.54Å; S70-N73 PolarHBondContact O-N 2.87Å; S70-N73 PolarHBondContact O-OD1 2.77Å; S70-N73 VanDerWaalsContact O-OD1 3.08Å; S70-N73 VanDerWaalsContact OG-CG 3.31Å; S70-N73 PolarHBondContact OG-N 3.02Å; S70-N73 PolarHBondContact OG-OD1 2.89Å; N73-G75 PolarHBondContact O-N 3Å; N73-I76 HydrophobicContact CB-CB 4.21Å; N73-I76 HydrophobicContact CB-CD1 3.89Å; N73-I76 HydrophobicContact CB-CG2 4.07Å; N73-I76 WeakPolarHBondContact O-CB 3.48Å; N73-I76 WeakPolarHBondContact O-CG2 3.47Å; N73-I76 PolarHBondContact O-N 2.88Å; N73-I76 VanDerWaalsContact O-N 3.07Å
74	R	92.6	Very high	94	Very high	88 Å²	88	29.1 Å²	29.1	33%	0.332	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	128.9	173.5	-65	-179.2	-72.2	162.7	2.1	112.4	E69 S70 S71 Y192 H204	E69-R74 WeakPolarHBondContact OE2-CA 3.29Å; S70-R74 VanDerWaalsContact O-CG 3.31Å; S70-R74 WeakPolarHBondContact O-CG 3.26Å; S70-R74 PolarHBondContact O-N 2.9Å; S71-R74 WeakPolarHBondContact O-CG 2.93Å; S71-R74 PolarHBondContact O-NE 3.46Å; R74-Y192 HydrophobicContact CG-CD1 3.71Å; R74-Y192 HydrophobicContact CG-CE1 3.51Å; R74-H204 PolarHBondContact O-CE1 3.45Å; R74-H204 PolarHBondContact O-NE2 3.12Å
75	G	95.1	Very high	94	Very high	2 Å²	2	30 Å²	30	2%	0.021	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.4	4	-179	0	0	0	0	0	115.3	E69 N73 S77 H78 L79	E69-G75 PolarHBondContact OE1-N 3.11Å; E69-G75 PolarHBondContact OE2-N 3.29Å; N73-G75 PolarHBondContact O-N 3Å; G75-S77 VanDerWaalsContact C-N 3.34Å; G75-H78 WeakPolarHBondContact O-CB 3.26Å; G75-H78 PolarHBondContact O-N 2.9Å; G75-L79 PolarHBondContact O-N 3.24Å
76	I	96.1	Very high	93.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-68.7	-31.1	178.9	-164.1	158.9	0	0	0	112.4	E69 N73 H78 L79 V80 Q208 I209 Y212	E69-I76 HydrophobicContact CG-CG2 3.9Å; E69-I76 PolarHBondContact OE1-N 2.96Å; N73-I76 HydrophobicContact CB-CB 4.21Å; N73-I76 HydrophobicContact CB-CD1 3.89Å; N73-I76 HydrophobicContact CB-CG2 4.07Å; N73-I76 WeakPolarHBondContact O-CB 3.48Å; N73-I76 WeakPolarHBondContact O-CG2 3.47Å; N73-I76 PolarHBondContact O-N 2.88Å; N73-I76 VanDerWaalsContact O-N 3.07Å; I76-H78 VanDerWaalsContact C-N 3.27Å; I76-H78 PolarHBondContact O-N 3.24Å; I76-L79 WeakPolarHBondContact O-CB 3.39Å; I76-L79 PolarHBondContact O-N 3.17Å; I76-L79 VanDerWaalsContact O-N 3.13Å; I76-V80 WeakPolarHBondContact O-CG2 3.41Å; I76-V80 PolarHBondContact O-N 3.3Å; I76-Q208 HydrophobicContact CD1-CB 4.3Å; I76-Q208 VanDerWaalsContact CD1-O 3.31Å; I76-Q208 WeakPolarHBondContact CD1-O 3.43Å; I76-I209 HydrophobicContact CD1-CG1 4.41Å; I76-Y212 HydrophobicContact CD1-CG 4.14Å; I76-Y212 HydrophobicContact CG1-CD1 4.18Å; I76-Y212 HydrophobicContact CG1-CG 4.13Å; I76-Y212 HydrophobicContact CG2-CD1 3.89Å; I76-Y212 HydrophobicContact CG2-CD2 3.51Å; I76-Y212 HydrophobicContact CG2-CE1 4.11Å; I76-Y212 HydrophobicContact CG2-CE2 3.72Å; I76-Y212 HydrophobicContact CG2-CG 3.58Å
77	S	96	Very high	94	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63.5	-36.7	176.4	65.2	0	0	0	0	111.6	E69 G75 V80 R81 Y212	E69-S77 WeakPolarHBondContact OE1-CB 3.19Å; E69-S77 PolarHBondContact OE1-N 3.42Å; E69-S77 PolarHBondContact OE1-OG 3.42Å; G75-S77 VanDerWaalsContact C-N 3.34Å; S77-V80 PolarHBondContact O-N 3.46Å; S77-R81 WeakPolarHBondContact O-CB 3.45Å; S77-R81 PolarHBondContact O-N 3.47Å; S77-Y212 VanDerWaalsContact CB-OH 3.31Å; S77-Y212 WeakPolarHBondContact CB-OH 3.42Å
78	H	97.5	Very high	94.1	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-64.8	-41.3	173.2	-179.6	-159	0	0	0	111.5	G75 I76 R81 R82 M156 D159 S196	G75-H78 WeakPolarHBondContact O-CB 3.26Å; G75-H78 PolarHBondContact O-N 2.9Å; I76-H78 VanDerWaalsContact C-N 3.27Å; I76-H78 PolarHBondContact O-N 3.24Å; H78-R81 PolarHBondContact CD2-NH2 3.36Å; H78-R81 PolarHBondContact NE2-NH2 3.18Å; H78-R81 PolarHBondContact O-N 2.9Å; H78-R82 WeakPolarHBondContact O-CB 3.12Å; H78-R82 WeakPolarHBondContact O-CG 3.21Å; H78-R82 PolarHBondContact O-N 3.42Å; H78-M156 HydrophobicContact CB-CE 4.31Å; H78-D159 IonicContact CD2-OD2 3.73Å; H78-D159 IonicContact CE1-OD2 3.88Å; H78-D159 IonicContact NE2-OD2 2.78Å; H78-D159 PolarHBondContact NE2-OD2 2.92Å; H78-S196 WeakPolarHBondContact ND1-CB 3.35Å; H78-S196 PolarHBondContact ND1-N 2.96Å
79	L	97.3	Very high	94.2	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-61	-50.8	174.1	-177.1	160.1	0	0	0	111.1	G75 I76 R81 R82 S83 Y143 L148 V152 Y153 M156 H204 I209	G75-L79 PolarHBondContact O-N 3.24Å; I76-L79 WeakPolarHBondContact O-CB 3.39Å; I76-L79 PolarHBondContact O-N 3.17Å; I76-L79 VanDerWaalsContact O-N 3.13Å; L79-R81 VanDerWaalsContact C-N 3.34Å; L79-R81 PolarHBondContact O-N 3.4Å; L79-R82 CarbonylContact O-C 3.52Å; L79-R82 PolarHBondContact O-N 3.33Å; L79-R82 VanDerWaalsContact O-N 3.16Å; L79-S83 WeakPolarHBondContact O-CB 3.09Å; L79-S83 PolarHBondContact O-N 3.31Å; L79-S83 PolarHBondContact O-OG 2.94Å; L79-Y143 HydrophobicContact CD2-CE1 4.43Å; L79-L148 HydrophobicContact CD2-CD2 4.43Å; L79-V152 HydrophobicContact CG-CG1 4.3Å; L79-Y153 HydrophobicContact CD1-CE1 3.76Å; L79-Y153 HydrophobicContact CG-CE1 4.47Å; L79-M156 HydrophobicContact CB-CE 3.9Å; L79-M156 HydrophobicContact CB-SD 3.82Å; L79-M156 HydrophobicContact CG-SD 4.15Å; L79-H204 HydrophobicContact CD1-CB 4.21Å; L79-I209 HydrophobicContact CD1-CD1 3.82Å; L79-I209 HydrophobicContact CD1-CG1 4.14Å; L79-I209 HydrophobicContact CD2-CD1 3.87Å; L79-I209 HydrophobicContact CD2-CG1 3.95Å; L79-I209 HydrophobicContact CD2-CG2 3.84Å
80	V	96.6	Very high	94.1	Very high	4 Å²	4	35.5 Å²	35.5	2%	0.024	18%	0.179	C	C	.	.	H	α-helix	trans	-60.5	-45	179.6	176.5	0	0	0	0	110.7	I76 S77 R82 S83 F84 M116 Y212	I76-V80 WeakPolarHBondContact O-CG2 3.41Å; I76-V80 PolarHBondContact O-N 3.3Å; S77-V80 PolarHBondContact O-N 3.46Å; V80-R82 VanDerWaalsContact C-N 3.32Å; V80-R82 PolarHBondContact O-N 3.17Å; V80-S83 PolarHBondContact O-N 2.82Å; V80-S83 VanDerWaalsContact O-N 3.13Å; V80-F84 PolarHBondContact O-N 3.35Å; V80-M116 HydrophobicContact CB-CE 4.05Å; V80-M116 HydrophobicContact CB-SD 4.48Å; V80-M116 HydrophobicContact CG1-CE 3.87Å; V80-M116 HydrophobicContact CG1-SD 3.73Å; V80-Y212 HydrophobicContact CG2-CD1 3.77Å; V80-Y212 HydrophobicContact CG2-CE1 4.08Å
81	R	96.9	Very high	94.4	Very high	51 Å²	51	35.1 Å²	35.1	19%	0.192	17%	0.174	C	C	.	.	H	α-helix	trans	-55.8	-46.2	174.3	-180	-178.1	57.5	126.5	-3.9	112	S77 H78 L79 S83 F84 T111 D159	S77-R81 WeakPolarHBondContact O-CB 3.45Å; S77-R81 PolarHBondContact O-N 3.47Å; H78-R81 PolarHBondContact CD2-NH2 3.36Å; H78-R81 PolarHBondContact NE2-NH2 3.18Å; H78-R81 PolarHBondContact O-N 2.9Å; L79-R81 VanDerWaalsContact C-N 3.34Å; L79-R81 PolarHBondContact O-N 3.4Å; R81-S83 VanDerWaalsContact C-N 3.29Å; R81-F84 WeakPolarHBondContact O-CB 3.34Å; R81-F84 PolarHBondContact O-N 2.94Å; R81-T111 WeakPolarHBondContact CB-OG1 3.47Å; R81-T111 VanDerWaalsContact CD-OG1 3.26Å; R81-T111 WeakPolarHBondContact CD-OG1 3.44Å; R81-T111 WeakPolarHBondContact CG-OG1 3.44Å; R81-D159 IonicContact NH2-OD2 2.67Å
82	R	95.9	Very high	94.7	Very high	83 Å²	83	36.7 Å²	36.7	31%	0.313	18%	0.182	S	C	.	.	H	α-helix	trans	-76	-16.7	-179.3	-74.5	-63	-173.9	-167.5	1.2	113.8	H78 L79 V80 F84 V152 M156 D159	H78-R82 WeakPolarHBondContact O-CB 3.12Å; H78-R82 WeakPolarHBondContact O-CG 3.21Å; H78-R82 PolarHBondContact O-N 3.42Å; L79-R82 CarbonylContact O-C 3.52Å; L79-R82 PolarHBondContact O-N 3.33Å; L79-R82 VanDerWaalsContact O-N 3.16Å; V80-R82 VanDerWaalsContact C-N 3.32Å; V80-R82 PolarHBondContact O-N 3.17Å; R82-F84 VanDerWaalsContact C-N 3.28Å; R82-V152 HydrophobicContact CB-CG1 3.89Å; R82-M156 HydrophobicContact CB-CG 4.22Å; R82-M156 HydrophobicContact CG-CG 4.11Å; R82-D159 IonicContact CZ-OD1 2.73Å; R82-D159 IonicContact CZ-OD2 3.73Å; R82-D159 IonicContact NE-OD1 2.71Å; R82-D159 IonicContact NE-OD2 3.63Å; R82-D159 PolarHBondContact NE-OD2 2.98Å; R82-D159 IonicContact NH2-OD1 3.72Å; R82-D159 PolarHBondContact NH2-OD1 3.23Å; R82-D159 IonicContact NH2-OD2 3.54Å; R82-D159 PolarHBondContact NH2-OD2 3.04Å
83	S	95.6	Very high	95	Very high	3 Å²	3	30.2 Å²	30.2	2%	0.021	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-2.7	173.2	-54.4	0	0	0	0	112.9	L79 V80 R81 G85 M86	L79-S83 WeakPolarHBondContact O-CB 3.09Å; L79-S83 PolarHBondContact O-N 3.31Å; L79-S83 PolarHBondContact O-OG 2.94Å; V80-S83 PolarHBondContact O-N 2.82Å; V80-S83 VanDerWaalsContact O-N 3.13Å; R81-S83 VanDerWaalsContact C-N 3.29Å; S83-G85 PolarHBondContact O-N 3.46Å; S83-M86 VanDerWaalsContact O-CB 3.26Å; S83-M86 WeakPolarHBondContact O-CB 3.47Å; S83-M86 WeakPolarHBondContact O-CG 3.37Å; S83-M86 PolarHBondContact O-N 3.04Å; S83-M86 VanDerWaalsContact O-N 3.17Å
84	F	95.3	Very high	95.1	Very high	35 Å²	35	33.6 Å²	33.6	15%	0.154	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	121.2	172.2	-176.5	-117.6	0	0	0	110.6	V80 R81 R82 V107 C109 Y118 L134 M137 A138	V80-F84 PolarHBondContact O-N 3.35Å; R81-F84 WeakPolarHBondContact O-CB 3.34Å; R81-F84 PolarHBondContact O-N 2.94Å; R82-F84 VanDerWaalsContact C-N 3.28Å; F84-V107 HydrophobicContact CD1-CG1 4.38Å; F84-V107 HydrophobicContact CE1-CG1 3.29Å; F84-V107 HydrophobicContact CZ-CG1 3.54Å; F84-C109 HydrophobicContact CB-CB 3.95Å; F84-C109 HydrophobicContact CD1-CB 3.29Å; F84-C109 HydrophobicContact CE1-CB 3.78Å; F84-C109 HydrophobicContact CG-CB 3.75Å; F84-Y118 HydrophobicContact CB-CE1 4.28Å; F84-Y118 HydrophobicContact CD1-CD1 4.22Å; F84-Y118 AromaticContact CD2-CD1 3.43Å; F84-Y118 HydrophobicContact CD2-CD1 3.43Å; F84-Y118 VanDerWaalsContact CD2-CD1 3.43Å; F84-Y118 AromaticContact CD2-CE1 3.5Å; F84-Y118 HydrophobicContact CD2-CE1 3.5Å; F84-Y118 VanDerWaalsContact CD2-CE1 3.5Å; F84-Y118 HydrophobicContact CE1-CD1 4.08Å; F84-Y118 AromaticContact CE2-CD1 3.33Å; F84-Y118 HydrophobicContact CE2-CD1 3.33Å; F84-Y118 AromaticContact CE2-CE1 3.86Å; F84-Y118 HydrophobicContact CE2-CE1 3.86Å; F84-Y118 HydrophobicContact CE2-CG 4.19Å; F84-Y118 AromaticContact CG-CD1 3.87Å; F84-Y118 HydrophobicContact CG-CD1 3.87Å; F84-Y118 AromaticContact CG-CE1 3.93Å; F84-Y118 HydrophobicContact CG-CE1 3.93Å; F84-Y118 AromaticContact CZ-CD1 3.66Å; F84-Y118 HydrophobicContact CZ-CD1 3.66Å; F84-Y118 HydrophobicContact CZ-CG 4.36Å; F84-L134 HydrophobicContact CE2-CD1 4.42Å; F84-L134 HydrophobicContact CZ-CD1 3.65Å; F84-M137 HydrophobicContact CD1-CE 4.32Å; F84-M137 HydrophobicContact CD2-CE 3.84Å; F84-M137 HydrophobicContact CD2-CG 4.08Å; F84-M137 HydrophobicContact CE1-CE 3.83Å; F84-M137 HydrophobicContact CE2-CB 4.41Å; F84-M137 HydrophobicContact CE2-CE 3.22Å; F84-M137 HydrophobicContact CE2-CG 4Å; F84-M137 HydrophobicContact CE2-SD 4.34Å; F84-M137 HydrophobicContact CG-CE 4.36Å; F84-M137 HydrophobicContact CZ-CE 3.23Å; F84-A138 HydrophobicContact CE2-CB 4.36Å
85	G	93.1	Very high	95.3	Very high	26 Å²	26	32.4 Å²	32.4	27%	0.268	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	108.4	-4.9	-169.2	0	0	0	0	0	114.2	S83 S93 M137	S83-G85 PolarHBondContact O-N 3.46Å; G85-S93 WeakPolarHBondContact O-CB 3.45Å; G85-M137 VanDerWaalsContact CA-SD 3.52Å
86	M	93.1	Very high	95.4	Very high	11 Å²	11	32.4 Å²	32.4	5%	0.054	18%	0.176	C	C	.	.	S	Bend	trans	-76.7	171.3	174.9	-59.4	-58.4	-72.3	0	0	111.4	S83 L96 E147 I151 V152	S83-M86 VanDerWaalsContact O-CB 3.26Å; S83-M86 WeakPolarHBondContact O-CB 3.47Å; S83-M86 WeakPolarHBondContact O-CG 3.37Å; S83-M86 PolarHBondContact O-N 3.04Å; S83-M86 VanDerWaalsContact O-N 3.17Å; M86-L96 WeakPolarHBondContact O-CD1 3.36Å; M86-E147 HydrophobicContact CE-CB 3.22Å; M86-E147 VanDerWaalsContact CE-CD 3.47Å; M86-E147 HydrophobicContact CE-CG 3.37Å; M86-I151 HydrophobicContact CE-CD1 4.37Å; M86-I151 HydrophobicContact SD-CD1 4.39Å; M86-I151 HydrophobicContact SD-CG2 4.49Å; M86-V152 HydrophobicContact CE-CG2 4.14Å; M86-V152 HydrophobicContact CG-CG2 4.17Å; M86-V152 HydrophobicContact SD-CG2 3.92Å
87	S	95.9	Very high	95.4	Very high	6 Å²	6	35.5 Å²	35.5	4%	0.042	20%	0.196	C	C	.	.			trans	-60.2	145.4	-177.7	-59.4	0	0	0	0	111.9	L91 T92 S93 C142 E147	S87-L91 CarbonylContact C-O 3.52Å; S87-L91 WeakPolarHBondContact CA-O 3.37Å; S87-T92 WeakPolarHBondContact OG-CA 3.42Å; S87-S93 PolarHBondContact OG-N 3.5Å; S87-C142 WeakPolarHBondContact O-CB 3.33Å; S87-C142 PolarHBondContact O-N 2.88Å; S87-E147 PolarHBondContact OG-OE1 3.26Å; S87-E147 PolarHBondContact OG-OE2 2.95Å
88	T	94.8	Very high	95.4	Very high	5 Å²	5	42.5 Å²	42.5	3%	0.031	22%	0.222	C	C	.	.			trans	-108.3	171.7	165.9	72.4	0	0	0	0	109.2	E90 L91 L96 M137 C142	T88-E90 WeakPolarHBondContact CB-OE2 3.1Å; T88-E90 PolarHBondContact O-N 3.41Å; T88-E90 PolarHBondContact OG1-N 3.21Å; T88-E90 PolarHBondContact OG1-OE2 2.89Å; T88-L91 PolarHBondContact N-O 2.87Å; T88-L91 PolarHBondContact O-N 3.44Å; T88-L91 PolarHBondContact OG1-N 2.87Å; T88-L96 HydrophobicContact CG2-CD1 4.03Å; T88-M137 HydrophobicContact CG2-CB 4.24Å; T88-C142 VanDerWaalsContact C-SG 3.53Å
89	P	92.6	Very high	95.4	Very high	89 Å²	89	45.2 Å²	45.2	58%	0.578	23%	0.234	S	C	*	.	S	Bend	trans	-56.3	-31.9	175.6	-27	36	0	0	0	113.4	S140 C142	P89-S140 VanDerWaalsContact CD-O 3.28Å; P89-S140 WeakPolarHBondContact CD-O 3.03Å; P89-C142 VanDerWaalsContact CD-SG 3.5Å; P89-C142 VanDerWaalsContact N-SG 3.41Å
90	E	91.4	Very high	95.4	Very high	108 Å²	108	46 Å²	46	51%	0.505	24%	0.238	S	C	.	.	S	Bend	trans	-91.4	-30.5	-175.8	-50.8	78.4	-171.7	0	0	113.3	T88	T88-E90 WeakPolarHBondContact CB-OE2 3.1Å; T88-E90 PolarHBondContact O-N 3.41Å; T88-E90 PolarHBondContact OG1-N 3.21Å; T88-E90 PolarHBondContact OG1-OE2 2.89Å
91	L	95.2	Very high	95.4	Very high	27 Å²	27	52.2 Å²	52.2	14%	0.141	27%	0.267	C	S	.	.			trans	-141	130.5	-171.3	-65.6	171.6	0	0	0	111.8	S87 T88 N95 L96 L133	S87-L91 CarbonylContact C-O 3.52Å; S87-L91 WeakPolarHBondContact CA-O 3.37Å; T88-L91 PolarHBondContact N-O 2.87Å; T88-L91 PolarHBondContact O-N 3.44Å; T88-L91 PolarHBondContact OG1-N 2.87Å; L91-N95 HydrophobicContact CD2-CB 4.16Å; L91-L96 HydrophobicContact CB-CD1 4.41Å; L91-L96 HydrophobicContact CB-CD2 3.85Å; L91-L96 HydrophobicContact CB-CG 3.71Å; L91-L96 HydrophobicContact CD1-CD2 3.66Å; L91-L96 HydrophobicContact CD1-CG 4.33Å; L91-L96 HydrophobicContact CG-CD2 4.42Å; L91-L133 HydrophobicContact CD1-CD2 3.46Å; L91-L133 VanDerWaalsContact CD1-CD2 3.46Å
92	T	96.2	Very high	95.4	Very high	68 Å²	68	57.1 Å²	57.1	42%	0.417	29%	0.292	S	S	.	.			trans	-65.4	156	170	64.4	0	0	0	0	111.3	S87 V94 N95 L96	S87-T92 WeakPolarHBondContact OG-CA 3.42Å; T92-V94 PolarHBondContact O-N 2.96Å; T92-V94 VanDerWaalsContact O-N 3.17Å; T92-N95 PolarHBondContact O-N 3.45Å; T92-N95 PolarHBondContact OG1-N 3.28Å; T92-L96 PolarHBondContact O-N 3.23Å
93	S	94.6	Very high	95.4	Very high	18 Å²	18	54.1 Å²	54.1	13%	0.126	28%	0.282	C	S	.	.	H	α-helix	trans	-50.3	-39.4	174.8	53.8	0	0	0	0	113	G85 S87 T97 E147	G85-S93 WeakPolarHBondContact O-CB 3.45Å; S87-S93 PolarHBondContact OG-N 3.5Å; S93-T97 WeakPolarHBondContact O-CB 3.33Å; S93-T97 PolarHBondContact O-N 3.46Å; S93-T97 PolarHBondContact O-OG1 3.16Å; S93-E147 WeakPolarHBondContact CB-OE1 3.49Å; S93-E147 PolarHBondContact OG-OE1 3.35Å
94	V	95.9	Very high	95.4	Very high	80 Å²	80	57 Å²	57	49%	0.485	31%	0.312	S	S	.	.	H	α-helix	trans	-65.4	-44.4	175.3	178.8	0	0	0	0	111.9	T92 T97 R98	T92-V94 PolarHBondContact O-N 2.96Å; T92-V94 VanDerWaalsContact O-N 3.17Å; V94-T97 PolarHBondContact O-N 2.88Å; V94-R98 WeakPolarHBondContact O-CG 3.31Å; V94-R98 PolarHBondContact O-N 3.02Å
95	N	96.7	Very high	95.5	Very high	64 Å²	64	56.2 Å²	56.2	34%	0.342	31%	0.311	S	S	.	.	H	α-helix	trans	-70.4	-39.6	179.9	-76	-10.9	0	0	0	112	L91 T92 T97 R98 H99	L91-N95 HydrophobicContact CD2-CB 4.16Å; T92-N95 PolarHBondContact O-N 3.45Å; T92-N95 PolarHBondContact OG1-N 3.28Å; N95-T97 VanDerWaalsContact C-N 3.34Å; N95-T97 PolarHBondContact O-N 2.95Å; N95-R98 PolarHBondContact O-N 3Å; N95-H99 PolarHBondContact O-CD2 3.4Å; N95-H99 VanDerWaalsContact O-CD2 3.24Å; N95-H99 PolarHBondContact O-N 2.79Å
96	L	96.1	Very high	95.6	Very high	1 Å²	1	62.5 Å²	62.5	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-56.6	-49.8	172.2	-74.9	165.4	0	0	0	110.9	M86 T88 L91 T92 R98 H99 F100 L133 M137	M86-L96 WeakPolarHBondContact O-CD1 3.36Å; T88-L96 HydrophobicContact CG2-CD1 4.03Å; L91-L96 HydrophobicContact CB-CD1 4.41Å; L91-L96 HydrophobicContact CB-CD2 3.85Å; L91-L96 HydrophobicContact CB-CG 3.71Å; L91-L96 HydrophobicContact CD1-CD2 3.66Å; L91-L96 HydrophobicContact CD1-CG 4.33Å; L91-L96 HydrophobicContact CG-CD2 4.42Å; T92-L96 PolarHBondContact O-N 3.23Å; L96-R98 VanDerWaalsContact C-N 3.34Å; L96-R98 PolarHBondContact O-N 3.07Å; L96-H99 PolarHBondContact O-N 2.91Å; L96-F100 WeakPolarHBondContact O-CD2 3.36Å; L96-F100 PolarHBondContact O-N 3.39Å; L96-F100 VanDerWaalsContact O-N 3.08Å; L96-L133 HydrophobicContact CD2-CD2 4.27Å; L96-M137 HydrophobicContact CD1-CG 4.41Å; L96-M137 HydrophobicContact CD1-SD 4.1Å
97	T	95.9	Very high	95.8	Very high	66 Å²	66	64.2 Å²	64.2	41%	0.405	34%	0.338	S	S	.	.	H	α-helix	trans	-57.8	-46.1	177.8	-59.9	0	0	0	0	111.3	S93 V94 N95 H99 F100 Q101	S93-T97 WeakPolarHBondContact O-CB 3.33Å; S93-T97 PolarHBondContact O-N 3.46Å; S93-T97 PolarHBondContact O-OG1 3.16Å; V94-T97 PolarHBondContact O-N 2.88Å; N95-T97 VanDerWaalsContact C-N 3.34Å; N95-T97 PolarHBondContact O-N 2.95Å; T97-H99 PolarHBondContact O-N 2.78Å; T97-F100 PolarHBondContact O-N 2.89Å; T97-Q101 HydrophobicContact CG2-CG 4.36Å; T97-Q101 WeakPolarHBondContact O-CB 3.41Å; T97-Q101 VanDerWaalsContact O-CG 3.28Å; T97-Q101 WeakPolarHBondContact O-CG 3.42Å; T97-Q101 PolarHBondContact O-N 2.6Å
98	R	97.3	Very high	95.8	Very high	146 Å²	146	68.2 Å²	68.2	55%	0.551	36%	0.356	S	S	*	.	H	α-helix	trans	-61.8	-42.3	177.8	-76.8	179.6	177.6	172.3	-0.2	112.7	V94 N95 L96 Q101 Q102	V94-R98 WeakPolarHBondContact O-CG 3.31Å; V94-R98 PolarHBondContact O-N 3.02Å; N95-R98 PolarHBondContact O-N 3Å; L96-R98 VanDerWaalsContact C-N 3.34Å; L96-R98 PolarHBondContact O-N 3.07Å; R98-Q101 PolarHBondContact O-N 3.03Å; R98-Q102 WeakPolarHBondContact O-CB 3.35Å; R98-Q102 VanDerWaalsContact O-CG 3.31Å; R98-Q102 WeakPolarHBondContact O-CG 3.19Å; R98-Q102 PolarHBondContact O-N 3.12Å
99	H	97	Very high	95.9	Very high	58 Å²	58	69 Å²	69	27%	0.269	36%	0.362	S	S	.	.	H	α-helix	trans	-60	-48.1	176.6	-84.5	-61.4	0	0	0	111.8	N95 L96 T97 Q101 Q102 M103 L133	N95-H99 PolarHBondContact O-CD2 3.4Å; N95-H99 VanDerWaalsContact O-CD2 3.24Å; N95-H99 PolarHBondContact O-N 2.79Å; L96-H99 PolarHBondContact O-N 2.91Å; T97-H99 PolarHBondContact O-N 2.78Å; H99-Q101 PolarHBondContact O-N 3.46Å; H99-Q102 PolarHBondContact O-N 2.98Å; H99-M103 WeakPolarHBondContact O-CE 3.43Å; H99-M103 WeakPolarHBondContact O-CG 3.16Å; H99-M103 PolarHBondContact O-N 3.2Å; H99-L133 HydrophobicContact CB-CD1 3.71Å
100	F	97.2	Very high	96	Very high	16 Å²	16	66.6 Å²	66.6	7%	0.07	35%	0.349	C	S	.	.	H	α-helix	trans	-64.6	-39.9	178	-71.1	-60.5	0	0	0	112.2	L96 T97 M103 G104 A105 V107 V120 L133 M137	L96-F100 WeakPolarHBondContact O-CD2 3.36Å; L96-F100 PolarHBondContact O-N 3.39Å; L96-F100 VanDerWaalsContact O-N 3.08Å; T97-F100 PolarHBondContact O-N 2.89Å; F100-M103 HydrophobicContact CD1-CE 3.79Å; F100-M103 HydrophobicContact CE1-CE 4.29Å; F100-M103 PolarHBondContact O-N 2.87Å; F100-G104 PolarHBondContact O-N 2.91Å; F100-G104 VanDerWaalsContact O-N 3.13Å; F100-A105 HydrophobicContact CB-CB 4.22Å; F100-A105 HydrophobicContact CD1-CB 3.81Å; F100-A105 HydrophobicContact CG-CB 4.49Å; F100-A105 PolarHBondContact O-N 3.24Å; F100-V107 HydrophobicContact CB-CG2 4.4Å; F100-V107 HydrophobicContact CD1-CG2 3.48Å; F100-V107 VanDerWaalsContact CD1-CG2 3.48Å; F100-V107 HydrophobicContact CD2-CG2 4.02Å; F100-V107 HydrophobicContact CE1-CG2 3.57Å; F100-V107 HydrophobicContact CE2-CG2 4.1Å; F100-V107 HydrophobicContact CG-CG2 3.71Å; F100-V107 HydrophobicContact CZ-CG2 3.88Å; F100-V120 HydrophobicContact CE1-CG2 4.31Å; F100-L133 HydrophobicContact CE1-CB 3.94Å; F100-L133 HydrophobicContact CE2-CB 4.32Å; F100-L133 HydrophobicContact CZ-CB 3.55Å; F100-M137 HydrophobicContact CE2-CE 3.81Å; F100-M137 HydrophobicContact CE2-SD 4.16Å; F100-M137 HydrophobicContact CZ-CE 4.17Å
101	Q	96.9	Very high	96.3	Very high	136 Å²	136	62.7 Å²	62.7	64%	0.636	33%	0.333	S	S	*	.	H	α-helix	trans	-62.9	-43.6	176.3	-75.1	174.6	-17.1	0	0	112.7	T97 R98 H99 M103 G104	T97-Q101 HydrophobicContact CG2-CG 4.36Å; T97-Q101 WeakPolarHBondContact O-CB 3.41Å; T97-Q101 VanDerWaalsContact O-CG 3.28Å; T97-Q101 WeakPolarHBondContact O-CG 3.42Å; T97-Q101 PolarHBondContact O-N 2.6Å; R98-Q101 PolarHBondContact O-N 3.03Å; H99-Q101 PolarHBondContact O-N 3.46Å; Q101-M103 VanDerWaalsContact C-N 3.28Å; Q101-M103 PolarHBondContact O-N 2.82Å; Q101-G104 PolarHBondContact O-N 2.54Å
102	Q	97.2	Very high	96.3	Very high	154 Å²	154	64 Å²	64	72%	0.72	34%	0.342	S	S	*	.	H	α-helix	trans	-63.1	-34.4	177.7	-76.1	176	-18.7	0	0	112.6	R98 H99 G104	R98-Q102 WeakPolarHBondContact O-CB 3.35Å; R98-Q102 VanDerWaalsContact O-CG 3.31Å; R98-Q102 WeakPolarHBondContact O-CG 3.19Å; R98-Q102 PolarHBondContact O-N 3.12Å; H99-Q102 PolarHBondContact O-N 2.98Å; Q102-G104 VanDerWaalsContact C-N 3.27Å
103	M	96.3	Very high	96.2	Very high	20 Å²	20	61.4 Å²	61.4	10%	0.099	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-8.1	175	-64.6	-177.3	-66.7	0	0	113.1	H99 F100 Q101 A105 V122 F126 R129 A130 L133	H99-M103 WeakPolarHBondContact O-CE 3.43Å; H99-M103 WeakPolarHBondContact O-CG 3.16Å; H99-M103 PolarHBondContact O-N 3.2Å; F100-M103 HydrophobicContact CD1-CE 3.79Å; F100-M103 HydrophobicContact CE1-CE 4.29Å; F100-M103 PolarHBondContact O-N 2.87Å; Q101-M103 VanDerWaalsContact C-N 3.28Å; Q101-M103 PolarHBondContact O-N 2.82Å; M103-A105 HydrophobicContact CB-CB 4.31Å; M103-A105 PolarHBondContact O-N 2.91Å; M103-V122 HydrophobicContact CB-CG2 4.07Å; M103-F126 HydrophobicContact CB-CB 4.29Å; M103-F126 HydrophobicContact CB-CD2 4.14Å; M103-F126 HydrophobicContact CB-CG 4.2Å; M103-F126 HydrophobicContact CG-CB 4.08Å; M103-F126 HydrophobicContact CG-CD1 4.13Å; M103-F126 HydrophobicContact CG-CD2 4.27Å; M103-F126 HydrophobicContact CG-CG 3.92Å; M103-F126 HydrophobicContact SD-CB 3.85Å; M103-F126 HydrophobicContact SD-CD1 4.43Å; M103-F126 HydrophobicContact SD-CG 4.26Å; M103-R129 HydrophobicContact SD-CB 4.19Å; M103-R129 HydrophobicContact SD-CG 3.93Å; M103-A130 HydrophobicContact CE-CB 3.96Å; M103-A130 HydrophobicContact SD-CB 4.15Å; M103-L133 HydrophobicContact CE-CD1 3.91Å
104	G	95.8	Very high	96.1	Very high	63 Å²	63	61.3 Å²	61.3	65%	0.649	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.8	28	-170.7	0	0	0	0	0	113.1	F100 Q101 Q102	F100-G104 PolarHBondContact O-N 2.91Å; F100-G104 VanDerWaalsContact O-N 3.13Å; Q101-G104 PolarHBondContact O-N 2.54Å; Q102-G104 VanDerWaalsContact C-N 3.27Å
105	A	96.5	Very high	96.1	Very high	18 Å²	18	58.5 Å²	58.5	15%	0.149	30%	0.304	C	S	.	.			trans	-81.2	139.4	-175.1	0	0	0	0	0	111.8	F100 M103 V120 D121 V122	F100-A105 HydrophobicContact CB-CB 4.22Å; F100-A105 HydrophobicContact CD1-CB 3.81Å; F100-A105 HydrophobicContact CG-CB 4.49Å; F100-A105 PolarHBondContact O-N 3.24Å; M103-A105 HydrophobicContact CB-CB 4.31Å; M103-A105 PolarHBondContact O-N 2.91Å; A105-V120 HydrophobicContact CB-CG2 3.92Å; A105-D121 CarbonylContact C-O 3.51Å; A105-D121 VanDerWaalsContact CA-O 3.23Å; A105-D121 WeakPolarHBondContact CA-O 3.46Å; A105-V122 HydrophobicContact CB-CB 4.11Å; A105-V122 HydrophobicContact CB-CG2 3.9Å
106	R	95.8	Very high	96.1	Very high	159 Å²	159	55.5 Å²	55.5	60%	0.6	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.8	119.7	169.9	175	-175.3	173	127.5	0.8	108.7	V120 D121	R106-V120 CarbonylContact O-C 3.55Å; R106-V120 VanDerWaalsContact O-CA 3.26Å; R106-V120 WeakPolarHBondContact O-CA 3.42Å; R106-D121 HydrophobicContact CB-CB 4.28Å; R106-D121 PolarHBondContact N-O 2.76Å; R106-D121 PolarHBondContact O-N 3.13Å
107	V	96.1	Very high	96.2	Very high	47 Å²	47	56.3 Å²	56.3	29%	0.285	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	134.9	-179.1	176.9	0	0	0	0	109.9	F84 F100 T119 V120 L134 M137	F84-V107 HydrophobicContact CD1-CG1 4.38Å; F84-V107 HydrophobicContact CE1-CG1 3.29Å; F84-V107 HydrophobicContact CZ-CG1 3.54Å; F100-V107 HydrophobicContact CB-CG2 4.4Å; F100-V107 HydrophobicContact CD1-CG2 3.48Å; F100-V107 VanDerWaalsContact CD1-CG2 3.48Å; F100-V107 HydrophobicContact CD2-CG2 4.02Å; F100-V107 HydrophobicContact CE1-CG2 3.57Å; F100-V107 HydrophobicContact CE2-CG2 4.1Å; F100-V107 HydrophobicContact CG-CG2 3.71Å; F100-V107 HydrophobicContact CZ-CG2 3.88Å; V107-T119 WeakPolarHBondContact CA-O 3.36Å; V107-V120 HydrophobicContact CG2-CB 4.17Å; V107-V120 HydrophobicContact CG2-CG2 3.73Å; V107-L134 HydrophobicContact CG1-CD1 4.16Å; V107-M137 HydrophobicContact CG1-CE 3.82Å
108	Q	96	Very high	96.3	Very high	90 Å²	90	53.4 Å²	53.4	42%	0.421	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	141	-179.3	177.6	173.6	-16.1	0	0	111.3	T119	Q108-T119 PolarHBondContact N-O 3.37Å; Q108-T119 PolarHBondContact O-N 3.23Å; Q108-T119 PolarHBondContact O-OG1 2.95Å
109	C	96.7	Very high	96.3	Very high	21 Å²	21	47 Å²	47	14%	0.142	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128.9	167.8	179.1	0	0	0	0	110.1	F84 I117 Y118	F84-C109 HydrophobicContact CB-CB 3.95Å; F84-C109 HydrophobicContact CD1-CB 3.29Å; F84-C109 HydrophobicContact CE1-CB 3.78Å; F84-C109 HydrophobicContact CG-CB 3.75Å; C109-I117 CarbonylContact C-O 3.3Å; C109-I117 VanDerWaalsContact CA-O 3.32Å; C109-I117 WeakPolarHBondContact CA-O 3.4Å; C109-Y118 HydrophobicContact CB-CD1 3.83Å; C109-Y118 HydrophobicContact CB-CE1 4.19Å; C109-Y118 VanDerWaalsContact SG-CD1 3.6Å; C109-Y118 VanDerWaalsContact SG-CE1 3.52Å
110	A	96.2	Very high	96.3	Very high	39 Å²	39	44.3 Å²	44.3	32%	0.322	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	149	172.9	0	0	0	0	0	109.5	I117	A110-I117 PolarHBondContact N-O 2.76Å; A110-I117 PolarHBondContact O-N 2.95Å
111	T	96	Very high	96.2	Very high	25 Å²	25	45.1 Å²	45.1	15%	0.153	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	132.8	178.3	-57.8	0	0	0	0	108.9	R81 H115 M116	R81-T111 WeakPolarHBondContact CB-OG1 3.47Å; R81-T111 VanDerWaalsContact CD-OG1 3.26Å; R81-T111 WeakPolarHBondContact CD-OG1 3.44Å; R81-T111 WeakPolarHBondContact CG-OG1 3.44Å; T111-H115 WeakPolarHBondContact CA-O 3.45Å; T111-M116 HydrophobicContact CG2-CE 4.4Å
112	T	95	Very high	96.1	Very high	56 Å²	56	38.7 Å²	38.7	34%	0.344	21%	0.213	S	C	.	.			trans	-106.3	-179.8	166	66.9	0	0	0	0	108	E114 H115 I117 L194	T112-E114 PolarHBondContact O-N 2.76Å; T112-E114 PolarHBondContact OG1-N 2.91Å; T112-H115 PolarHBondContact N-O 3.18Å; T112-H115 WeakPolarHBondContact OG1-CA 3.49Å; T112-H115 WeakPolarHBondContact OG1-CB 3.26Å; T112-H115 PolarHBondContact OG1-N 2.77Å; T112-H115 PolarHBondContact OG1-O 3.32Å; T112-H115 VanDerWaalsContact OG1-O 3.09Å; T112-I117 HydrophobicContact CG2-CD1 4.31Å; T112-L194 VanDerWaalsContact C-CD2 3.45Å
113	R	94.4	Very high	95.9	Very high	13 Å²	13	33 Å²	33	5%	0.049	19%	0.193	C	C	.	.	S	Bend	trans	-63.9	-27.2	177	-70.8	174.5	156.2	67	8.1	111.8	G65 S66 R67 E174 H177 L190 L194 Y337	G65-R113 CarbonylContact C-O 3.44Å; G65-R113 VanDerWaalsContact C-O 3.3Å; G65-R113 WeakPolarHBondContact CA-O 3.49Å; S66-R113 PolarHBondContact N-O 3.24Å; S66-R113 WeakPolarHBondContact OG-CG 3.19Å; R67-R113 WeakPolarHBondContact CB-O 3.33Å; R67-R113 PolarHBondContact N-O 3.02Å; R113-E174 IonicContact CZ-OE1 3.92Å; R113-E174 IonicContact CZ-OE2 3.23Å; R113-E174 IonicContact NH1-OE1 2.9Å; R113-E174 PolarHBondContact NH1-OE1 3.24Å; R113-E174 IonicContact NH1-OE2 3.64Å; R113-E174 IonicContact NH2-OE1 2.56Å; R113-E174 PolarHBondContact NH2-OE1 3.38Å; R113-E174 IonicContact NH2-OE2 2.72Å; R113-E174 PolarHBondContact NH2-OE2 3Å; R113-H177 VanDerWaalsContact CZ-CG 3.42Å; R113-H177 PolarHBondContact NE-CD2 2.96Å; R113-H177 PolarHBondContact NH2-ND1 3.11Å; R113-L190 HydrophobicContact CB-CD2 4.05Å; R113-L190 PolarHBondContact NE-O 2.82Å; R113-L194 HydrophobicContact CG-CD2 3.98Å; R113-L194 HydrophobicContact CG-CG 4.26Å; R113-Y337 HydrophobicContact CB-CE1 4.07Å; R113-Y337 VanDerWaalsContact CD-OH 3.31Å; R113-Y337 WeakPolarHBondContact CD-OH 3.27Å; R113-Y337 HydrophobicContact CG-CE1 4.46Å
114	E	93.3	Very high	95.6	Very high	15 Å²	15	33.9 Å²	33.9	7%	0.07	20%	0.2	C	C	.	.	S	Bend	trans	-115.1	-19.3	-173	-58.1	-173.7	117.9	0	0	114.3	K63 S64 R67 Y68 T112 L190 Y337 I338	K63-E114 CarbonylContact C-O 3.56Å; K63-E114 WeakPolarHBondContact CA-O 3.44Å; S64-E114 PolarHBondContact N-O 3.47Å; S64-E114 VanDerWaalsContact N-O 3.12Å; S64-E114 CarbonylContact O-C 3.48Å; R67-E114 IonicContact CZ-OE1 2.89Å; R67-E114 IonicContact NH1-OE1 3.41Å; R67-E114 PolarHBondContact NH1-OE1 3.18Å; Y68-E114 WeakPolarHBondContact CE2-O 3.28Å; T112-E114 PolarHBondContact O-N 2.76Å; T112-E114 PolarHBondContact OG1-N 2.91Å; E114-L190 HydrophobicContact CG-CD2 4.38Å; E114-Y337 HydrophobicContact CG-CD1 4.1Å; E114-Y337 WeakPolarHBondContact OE2-CA 3.47Å; E114-I338 VanDerWaalsContact OE1-CG2 3.3Å; E114-I338 WeakPolarHBondContact OE1-CG2 3.33Å; E114-I338 PolarHBondContact OE1-N 3.33Å; E114-I338 VanDerWaalsContact OE1-N 3.1Å; E114-I338 PolarHBondContact OE2-N 2.77Å
115	H	95.5	Very high	95.5	Very high	21 Å²	21	36.5 Å²	36.5	10%	0.097	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	139.5	-171.8	-53.1	94.8	0	0	0	112.9	V61 V62 S64 T111 T112 I117	V61-H115 HydrophobicContact CG1-CB 4.05Å; V62-H115 CarbonylContact O-C 3.47Å; V62-H115 VanDerWaalsContact O-CA 3.3Å; V62-H115 WeakPolarHBondContact O-CA 3.3Å; S64-H115 CarbonylContact O-C 3.49Å; S64-H115 WeakPolarHBondContact O-CA 3.4Å; S64-H115 PolarHBondContact O-N 3.28Å; S64-H115 VanDerWaalsContact O-N 3.11Å; T111-H115 WeakPolarHBondContact CA-O 3.45Å; T112-H115 PolarHBondContact N-O 3.18Å; T112-H115 WeakPolarHBondContact OG1-CA 3.49Å; T112-H115 WeakPolarHBondContact OG1-CB 3.26Å; T112-H115 PolarHBondContact OG1-N 2.77Å; T112-H115 PolarHBondContact OG1-O 3.32Å; T112-H115 VanDerWaalsContact OG1-O 3.09Å; H115-I117 HydrophobicContact CB-CG1 4.27Å
116	M	97.2	Very high	95.4	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	122.3	168.7	-163.9	168.6	-62.4	0	0	107.8	V62 S64 V80 T111 Y118	V62-M116 PolarHBondContact N-O 2.8Å; V62-M116 PolarHBondContact O-N 2.95Å; S64-M116 PolarHBondContact O-N 3.03Å; V80-M116 HydrophobicContact CB-CE 4.05Å; V80-M116 HydrophobicContact CB-SD 4.48Å; V80-M116 HydrophobicContact CG1-CE 3.87Å; V80-M116 HydrophobicContact CG1-SD 3.73Å; T111-M116 HydrophobicContact CG2-CE 4.4Å; M116-Y118 HydrophobicContact CB-CE2 4.31Å; M116-Y118 HydrophobicContact CG-CE1 4.24Å; M116-Y118 HydrophobicContact CG-CE2 3.87Å; M116-Y118 HydrophobicContact SD-CE1 4.19Å; M116-Y118 HydrophobicContact SD-CE2 4.19Å; M116-Y118 VanDerWaalsContact SD-CZ 3.54Å; M116-Y118 PolarHBondContact SD-OH 3.4Å
117	I	97.7	Very high	95.3	Very high	19 Å²	19	32 Å²	32	10%	0.097	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	107.8	-166.3	-58.5	159.5	0	0	0	107.7	V61 C109 A110 T112 H115 T119 V399	V61-I117 HydrophobicContact CG1-CG1 4.2Å; V61-I117 HydrophobicContact CG2-CG1 4.34Å; V61-I117 HydrophobicContact CG2-CG2 4.34Å; C109-I117 CarbonylContact C-O 3.3Å; C109-I117 VanDerWaalsContact CA-O 3.32Å; C109-I117 WeakPolarHBondContact CA-O 3.4Å; A110-I117 PolarHBondContact N-O 2.76Å; A110-I117 PolarHBondContact O-N 2.95Å; T112-I117 HydrophobicContact CG2-CD1 4.31Å; H115-I117 HydrophobicContact CB-CG1 4.27Å; I117-T119 HydrophobicContact CG2-CG2 3.91Å; I117-V399 HydrophobicContact CD1-CG1 3.84Å; I117-V399 HydrophobicContact CG1-CG1 4.43Å; I117-V399 HydrophobicContact CG2-CG1 4.45Å; I117-V399 HydrophobicContact CG2-CG2 3.94Å
118	Y	97.9	Very high	95.3	Very high	5 Å²	5	32 Å²	32	2%	0.02	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	131.1	176.5	-52.7	-84.6	0	0	0	109.1	A59 L60 V62 F84 C109 M116 A138 F217	A59-Y118 CarbonylContact C-O 3.44Å; A59-Y118 VanDerWaalsContact CA-O 3.26Å; A59-Y118 WeakPolarHBondContact CA-O 3.42Å; L60-Y118 HydrophobicContact CB-CD2 4.44Å; L60-Y118 HydrophobicContact CD2-CD2 4.2Å; L60-Y118 HydrophobicContact CG-CD2 4.34Å; L60-Y118 PolarHBondContact N-O 3.38Å; L60-Y118 PolarHBondContact O-N 3.48Å; V62-Y118 HydrophobicContact CG2-CD2 4.45Å; V62-Y118 HydrophobicContact CG2-CE2 4.11Å; F84-Y118 HydrophobicContact CB-CE1 4.28Å; F84-Y118 HydrophobicContact CD1-CD1 4.22Å; F84-Y118 AromaticContact CD2-CD1 3.43Å; F84-Y118 HydrophobicContact CD2-CD1 3.43Å; F84-Y118 VanDerWaalsContact CD2-CD1 3.43Å; F84-Y118 AromaticContact CD2-CE1 3.5Å; F84-Y118 HydrophobicContact CD2-CE1 3.5Å; F84-Y118 VanDerWaalsContact CD2-CE1 3.5Å; F84-Y118 HydrophobicContact CE1-CD1 4.08Å; F84-Y118 AromaticContact CE2-CD1 3.33Å; F84-Y118 HydrophobicContact CE2-CD1 3.33Å; F84-Y118 AromaticContact CE2-CE1 3.86Å; F84-Y118 HydrophobicContact CE2-CE1 3.86Å; F84-Y118 HydrophobicContact CE2-CG 4.19Å; F84-Y118 AromaticContact CG-CD1 3.87Å; F84-Y118 HydrophobicContact CG-CD1 3.87Å; F84-Y118 AromaticContact CG-CE1 3.93Å; F84-Y118 HydrophobicContact CG-CE1 3.93Å; F84-Y118 AromaticContact CZ-CD1 3.66Å; F84-Y118 HydrophobicContact CZ-CD1 3.66Å; F84-Y118 HydrophobicContact CZ-CG 4.36Å; C109-Y118 HydrophobicContact CB-CD1 3.83Å; C109-Y118 HydrophobicContact CB-CE1 4.19Å; C109-Y118 VanDerWaalsContact SG-CD1 3.6Å; C109-Y118 VanDerWaalsContact SG-CE1 3.52Å; M116-Y118 HydrophobicContact CB-CE2 4.31Å; M116-Y118 HydrophobicContact CG-CE1 4.24Å; M116-Y118 HydrophobicContact CG-CE2 3.87Å; M116-Y118 HydrophobicContact SD-CE1 4.19Å; M116-Y118 HydrophobicContact SD-CE2 4.19Å; M116-Y118 VanDerWaalsContact SD-CZ 3.54Å; M116-Y118 PolarHBondContact SD-OH 3.4Å; Y118-A138 HydrophobicContact CD1-CB 4.14Å; Y118-A138 HydrophobicContact CD2-CB 3.93Å; Y118-A138 HydrophobicContact CE1-CB 4.12Å; Y118-A138 HydrophobicContact CE2-CB 3.93Å; Y118-A138 HydrophobicContact CG-CB 3.99Å; Y118-F217 HydrophobicContact CE2-CZ 4.15Å
119	T	97.5	Very high	95.2	Very high	12 Å²	12	32.9 Å²	32.9	7%	0.074	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	143.1	-174.4	55.8	0	0	0	0	110.7	I58 A59 V107 Q108 I117 L395	I58-T119 CarbonylContact O-C 3.57Å; I58-T119 WeakPolarHBondContact O-CA 3.23Å; A59-T119 HydrophobicContact CB-CG2 4.04Å; V107-T119 WeakPolarHBondContact CA-O 3.36Å; Q108-T119 PolarHBondContact N-O 3.37Å; Q108-T119 PolarHBondContact O-N 3.23Å; Q108-T119 PolarHBondContact O-OG1 2.95Å; I117-T119 HydrophobicContact CG2-CG2 3.91Å; T119-L395 HydrophobicContact CG2-CD1 3.92Å; T119-L395 HydrophobicContact CG2-CD2 4.42Å
120	V	96.8	Very high	95.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	127.8	167.3	64.3	0	0	0	0	110.5	R57 I58 F100 A105 R106 V107 V122 A130 L134	R57-V120 CarbonylContact C-O 3.59Å; R57-V120 WeakPolarHBondContact CA-O 3.35Å; I58-V120 HydrophobicContact CB-CG1 3.83Å; I58-V120 PolarHBondContact N-O 2.9Å; I58-V120 PolarHBondContact O-N 2.91Å; F100-V120 HydrophobicContact CE1-CG2 4.31Å; A105-V120 HydrophobicContact CB-CG2 3.92Å; R106-V120 CarbonylContact O-C 3.55Å; R106-V120 VanDerWaalsContact O-CA 3.26Å; R106-V120 WeakPolarHBondContact O-CA 3.42Å; V107-V120 HydrophobicContact CG2-CB 4.17Å; V107-V120 HydrophobicContact CG2-CG2 3.73Å; V120-V122 HydrophobicContact CG2-CB 4.45Å; V120-A130 HydrophobicContact CG1-CB 4.48Å; V120-A130 HydrophobicContact CG2-CB 4.06Å; V120-L134 HydrophobicContact CB-CD1 4.05Å; V120-L134 HydrophobicContact CB-CD2 4.49Å; V120-L134 HydrophobicContact CG1-CB 4.12Å; V120-L134 HydrophobicContact CG1-CD1 4.34Å; V120-L134 HydrophobicContact CG1-CD2 3.97Å; V120-L134 HydrophobicContact CG1-CG 4.37Å
121	D	94.9	Very high	95.3	Very high	33 Å²	33	30 Å²	30	18%	0.176	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	129.2	166.8	-61.3	-22.1	0	0	0	108.2	T56 R57 A105 R106	T56-D121 WeakPolarHBondContact O-CA 3.34Å; R57-D121 WeakPolarHBondContact CB-OD1 3.33Å; R57-D121 WeakPolarHBondContact CD-OD1 3.04Å; R57-D121 WeakPolarHBondContact CG-OD1 3.15Å; R57-D121 IonicContact NE-OD1 2.75Å; R57-D121 PolarHBondContact NE-OD1 2.74Å; R57-D121 IonicContact NE-OD2 3.02Å; A105-D121 CarbonylContact C-O 3.51Å; A105-D121 VanDerWaalsContact CA-O 3.23Å; A105-D121 WeakPolarHBondContact CA-O 3.46Å; R106-D121 HydrophobicContact CB-CB 4.28Å; R106-D121 PolarHBondContact N-O 2.76Å; R106-D121 PolarHBondContact O-N 3.13Å
122	V	95.2	Very high	95.3	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.006	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	160.3	-175.9	69.6	0	0	0	0	111.6	C55 T56 M103 A105 V120 F126 A130	C55-V122 CarbonylContact C-O 3.5Å; C55-V122 WeakPolarHBondContact CA-O 3.45Å; C55-V122 WeakPolarHBondContact CB-O 3.39Å; T56-V122 PolarHBondContact N-O 3.33Å; T56-V122 PolarHBondContact O-N 3.18Å; M103-V122 HydrophobicContact CB-CG2 4.07Å; A105-V122 HydrophobicContact CB-CB 4.11Å; A105-V122 HydrophobicContact CB-CG2 3.9Å; V120-V122 HydrophobicContact CG2-CB 4.45Å; V122-F126 HydrophobicContact CG2-CB 3.71Å; V122-A130 HydrophobicContact CB-CB 4.01Å; V122-A130 HydrophobicContact CG1-CB 3.8Å; V122-A130 HydrophobicContact CG2-CB 3.95Å
123	A	93	Very high	95.4	Very high	35 Å²	35	29.8 Å²	29.8	29%	0.289	15%	0.153	S	C	.	.			trans	-58.8	142.9	169.1	0	0	0	0	0	111.5	N125 F126 A127	A123-N125 VanDerWaalsContact C-N 3.27Å; A123-N125 WeakPolarHBondContact CB-OD1 3.4Å; A123-N125 PolarHBondContact O-N 3.4Å; A123-N125 VanDerWaalsContact O-N 3.16Å; A123-F126 HydrophobicContact CB-CD2 4.11Å; A123-F126 PolarHBondContact O-N 2.8Å; A123-A127 PolarHBondContact O-N 3.46Å
124	P	91.2	Very high	95.5	Very high	38 Å²	38	29.2 Å²	29.2	25%	0.247	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-57.2	-34.9	-171.5	-29.5	37.7	0	0	0	115.4	G54 T56 F126 A127 P229	G54-P124 WeakPolarHBondContact O-CG 3.44Å; T56-P124 WeakPolarHBondContact OG1-CA 3.32Å; P124-F126 PolarHBondContact O-N 3.34Å; P124-A127 VanDerWaalsContact O-CB 3.26Å; P124-A127 WeakPolarHBondContact O-CB 3.48Å; P124-A127 PolarHBondContact O-N 2.98Å; P124-P229 HydrophobicContact CB-CG 4.23Å; P124-P229 HydrophobicContact CG-CG 3.48Å; P124-P229 VanDerWaalsContact CG-CG 3.48Å
125	N	92.2	Very high	95.6	Very high	118 Å²	118	28.5 Å²	28.5	63%	0.631	15%	0.147	S	C	*	.	G	3₁₀ helix	trans	-64.5	-23.6	177.6	61.9	-37.2	0	0	0	113.8	A123	A123-N125 VanDerWaalsContact C-N 3.27Å; A123-N125 WeakPolarHBondContact CB-OD1 3.4Å; A123-N125 PolarHBondContact O-N 3.4Å; A123-N125 VanDerWaalsContact O-N 3.16Å
126	F	94.9	Very high	95.6	Very high	83 Å²	83	27.7 Å²	27.7	36%	0.364	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-103	4.4	178.7	-59	-61.1	0	0	0	113.3	M103 V122 A123 P124 S128 R129 A130	M103-F126 HydrophobicContact CB-CB 4.29Å; M103-F126 HydrophobicContact CB-CD2 4.14Å; M103-F126 HydrophobicContact CB-CG 4.2Å; M103-F126 HydrophobicContact CG-CB 4.08Å; M103-F126 HydrophobicContact CG-CD1 4.13Å; M103-F126 HydrophobicContact CG-CD2 4.27Å; M103-F126 HydrophobicContact CG-CG 3.92Å; M103-F126 HydrophobicContact SD-CB 3.85Å; M103-F126 HydrophobicContact SD-CD1 4.43Å; M103-F126 HydrophobicContact SD-CG 4.26Å; V122-F126 HydrophobicContact CG2-CB 3.71Å; A123-F126 HydrophobicContact CB-CD2 4.11Å; A123-F126 PolarHBondContact O-N 2.8Å; P124-F126 PolarHBondContact O-N 3.34Å; F126-S128 PolarHBondContact O-N 3.05Å; F126-R129 PolarHBondContact O-N 2.98Å; F126-R129 VanDerWaalsContact O-N 3.11Å; F126-A130 WeakPolarHBondContact O-CB 3.44Å; F126-A130 PolarHBondContact O-N 2.76Å
127	A	94	Very high	95.5	Very high	1 Å²	1	28 Å²	28	1%	0.008	15%	0.146	C	C	.	.	H	α-helix	trans	-51.5	-49.4	-176	0	0	0	0	0	113.4	T56 I58 A123 P124 R129 G131 I238	T56-A127 HydrophobicContact CG2-CB 3.6Å; I58-A127 VanDerWaalsContact CD1-O 3.27Å; I58-A127 WeakPolarHBondContact CD1-O 3.43Å; A123-A127 PolarHBondContact O-N 3.46Å; P124-A127 VanDerWaalsContact O-CB 3.26Å; P124-A127 WeakPolarHBondContact O-CB 3.48Å; P124-A127 PolarHBondContact O-N 2.98Å; A127-R129 PolarHBondContact O-N 2.77Å; A127-G131 PolarHBondContact O-N 3.32Å; A127-I238 HydrophobicContact CB-CD1 4.27Å; A127-I238 HydrophobicContact CB-CG2 4.36Å
128	S	95.1	Very high	95.4	Very high	47 Å²	47	27.2 Å²	27.2	33%	0.329	14%	0.141	S	C	.	.	H	α-helix	trans	-63.2	-42.1	-179.9	-54.3	0	0	0	0	112.3	F126 F132	F126-S128 PolarHBondContact O-N 3.05Å; S128-F132 VanDerWaalsContact O-CB 3.28Å; S128-F132 WeakPolarHBondContact O-CB 3.36Å; S128-F132 PolarHBondContact O-N 3.34Å
129	R	95.8	Very high	95.3	Very high	107 Å²	107	27.3 Å²	27.3	40%	0.404	14%	0.143	S	C	.	.	H	α-helix	trans	-71.8	-44.8	-178.8	-179.7	57.2	177.9	174.8	0.8	111.7	M103 F126 A127 F132 L133	M103-R129 HydrophobicContact SD-CB 4.19Å; M103-R129 HydrophobicContact SD-CG 3.93Å; F126-R129 PolarHBondContact O-N 2.98Å; F126-R129 VanDerWaalsContact O-N 3.11Å; A127-R129 PolarHBondContact O-N 2.77Å; R129-F132 PolarHBondContact O-N 2.79Å; R129-L133 HydrophobicContact CG-CD1 4.43Å; R129-L133 WeakPolarHBondContact O-CG 3.23Å; R129-L133 PolarHBondContact O-N 2.81Å
130	A	96.8	Very high	95.1	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-66.7	-40.9	178.8	0	0	0	0	0	111.8	M103 V120 V122 F126 L133 L134	M103-A130 HydrophobicContact CE-CB 3.96Å; M103-A130 HydrophobicContact SD-CB 4.15Å; V120-A130 HydrophobicContact CG1-CB 4.48Å; V120-A130 HydrophobicContact CG2-CB 4.06Å; V122-A130 HydrophobicContact CB-CB 4.01Å; V122-A130 HydrophobicContact CG1-CB 3.8Å; V122-A130 HydrophobicContact CG2-CB 3.95Å; F126-A130 WeakPolarHBondContact O-CB 3.44Å; F126-A130 PolarHBondContact O-N 2.76Å; A130-L133 PolarHBondContact O-N 3.01Å; A130-L134 WeakPolarHBondContact O-CB 3.46Å; A130-L134 PolarHBondContact O-N 3.06Å
131	G	96.9	Very high	95	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-61.1	-44.6	173.2	0	0	0	0	0	112.2	A127 L133 L134 C135 V242	A127-G131 PolarHBondContact O-N 3.32Å; G131-L133 PolarHBondContact O-N 3.26Å; G131-L134 WeakPolarHBondContact O-CB 3.26Å; G131-L134 PolarHBondContact O-N 2.85Å; G131-C135 WeakPolarHBondContact O-CB 3.2Å; G131-C135 PolarHBondContact O-N 3.09Å; G131-V242 WeakPolarHBondContact O-CG1 3.26Å
132	F	96.2	Very high	95	Very high	76 Å²	76	28.4 Å²	28.4	33%	0.333	15%	0.153	S	C	.	.	H	α-helix	trans	-56.9	-48.7	175	-179.2	-76.9	0	0	0	111.5	S128 R129 L134 C135 S136 S245	S128-F132 VanDerWaalsContact O-CB 3.28Å; S128-F132 WeakPolarHBondContact O-CB 3.36Å; S128-F132 PolarHBondContact O-N 3.34Å; R129-F132 PolarHBondContact O-N 2.79Å; F132-L134 PolarHBondContact O-N 3.37Å; F132-C135 PolarHBondContact O-N 3.14Å; F132-S136 WeakPolarHBondContact O-CB 3.44Å; F132-S136 PolarHBondContact O-N 3.44Å; F132-S245 VanDerWaalsContact CD2-CB 3.44Å; F132-S245 VanDerWaalsContact CE2-CB 3.47Å; F132-S245 PolarHBondContact O-OG 2.97Å
133	L	96.5	Very high	95	Very high	1 Å²	1	29 Å²	29	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-65.6	-38.7	179.1	-69	177.3	0	0	0	112.3	L91 L96 H99 F100 M103 R129 A130 G131 M137	L91-L133 HydrophobicContact CD1-CD2 3.46Å; L91-L133 VanDerWaalsContact CD1-CD2 3.46Å; L96-L133 HydrophobicContact CD2-CD2 4.27Å; H99-L133 HydrophobicContact CB-CD1 3.71Å; F100-L133 HydrophobicContact CE1-CB 3.94Å; F100-L133 HydrophobicContact CE2-CB 4.32Å; F100-L133 HydrophobicContact CZ-CB 3.55Å; M103-L133 HydrophobicContact CE-CD1 3.91Å; R129-L133 HydrophobicContact CG-CD1 4.43Å; R129-L133 WeakPolarHBondContact O-CG 3.23Å; R129-L133 PolarHBondContact O-N 2.81Å; A130-L133 PolarHBondContact O-N 3.01Å; G131-L133 PolarHBondContact O-N 3.26Å; L133-M137 WeakPolarHBondContact O-CB 3.31Å; L133-M137 PolarHBondContact O-N 3.42Å
134	L	97	Very high	95.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-57.5	-51.7	175	-179.3	84.4	0	0	0	110.8	I58 F84 V107 V120 A130 G131 F132 M137 A138	I58-L134 HydrophobicContact CG2-CD2 4.19Å; F84-L134 HydrophobicContact CE2-CD1 4.42Å; F84-L134 HydrophobicContact CZ-CD1 3.65Å; V107-L134 HydrophobicContact CG1-CD1 4.16Å; V120-L134 HydrophobicContact CB-CD1 4.05Å; V120-L134 HydrophobicContact CB-CD2 4.49Å; V120-L134 HydrophobicContact CG1-CB 4.12Å; V120-L134 HydrophobicContact CG1-CD1 4.34Å; V120-L134 HydrophobicContact CG1-CD2 3.97Å; V120-L134 HydrophobicContact CG1-CG 4.37Å; A130-L134 WeakPolarHBondContact O-CB 3.46Å; A130-L134 PolarHBondContact O-N 3.06Å; G131-L134 WeakPolarHBondContact O-CB 3.26Å; G131-L134 PolarHBondContact O-N 2.85Å; F132-L134 PolarHBondContact O-N 3.37Å; L134-M137 PolarHBondContact O-N 3.04Å; L134-A138 WeakPolarHBondContact O-CB 3.3Å; L134-A138 PolarHBondContact O-N 2.92Å
135	C	96.3	Very high	95.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-69.3	-41.5	-175.9	-78.8	0	0	0	0	112.7	G131 F132 A138 S139 V242 S245 I246	G131-C135 WeakPolarHBondContact O-CB 3.2Å; G131-C135 PolarHBondContact O-N 3.09Å; F132-C135 PolarHBondContact O-N 3.14Å; C135-A138 PolarHBondContact O-N 2.88Å; C135-S139 VanDerWaalsContact O-CB 3.3Å; C135-S139 WeakPolarHBondContact O-CB 3.32Å; C135-S139 PolarHBondContact O-N 3.5Å; C135-S139 PolarHBondContact O-OG 2.74Å; C135-V242 HydrophobicContact CB-CG1 4.21Å; C135-V242 VanDerWaalsContact SG-CG1 3.52Å; C135-S245 WeakPolarHBondContact CB-OG 3.13Å; C135-I246 HydrophobicContact CB-CD1 4.39Å; C135-I246 HydrophobicContact CB-CG1 3.59Å
136	S	94.9	Very high	95.5	Very high	5 Å²	5	34.6 Å²	34.6	4%	0.035	17%	0.168	C	C	.	.	H	α-helix	trans	-61.4	-47.1	173.1	165.1	0	0	0	0	111.3	F132 A138 S139 S140	F132-S136 WeakPolarHBondContact O-CB 3.44Å; F132-S136 PolarHBondContact O-N 3.44Å; S136-A138 VanDerWaalsContact C-N 3.32Å; S136-A138 PolarHBondContact O-N 3Å; S136-S139 PolarHBondContact O-N 3.1Å; S136-S140 PolarHBondContact O-N 3.4Å
137	M	94.8	Very high	95.5	Very high	8 Å²	8	31.5 Å²	31.5	4%	0.039	16%	0.155	C	C	.	.	H	α-helix	trans	-63.8	-34.6	177.7	-176.6	168.8	72.1	0	0	113.4	F84 G85 T88 L96 F100 V107 L133 L134	F84-M137 HydrophobicContact CD1-CE 4.32Å; F84-M137 HydrophobicContact CD2-CE 3.84Å; F84-M137 HydrophobicContact CD2-CG 4.08Å; F84-M137 HydrophobicContact CE1-CE 3.83Å; F84-M137 HydrophobicContact CE2-CB 4.41Å; F84-M137 HydrophobicContact CE2-CE 3.22Å; F84-M137 HydrophobicContact CE2-CG 4Å; F84-M137 HydrophobicContact CE2-SD 4.34Å; F84-M137 HydrophobicContact CG-CE 4.36Å; F84-M137 HydrophobicContact CZ-CE 3.23Å; G85-M137 VanDerWaalsContact CA-SD 3.52Å; T88-M137 HydrophobicContact CG2-CB 4.24Å; L96-M137 HydrophobicContact CD1-CG 4.41Å; L96-M137 HydrophobicContact CD1-SD 4.1Å; F100-M137 HydrophobicContact CE2-CE 3.81Å; F100-M137 HydrophobicContact CE2-SD 4.16Å; F100-M137 HydrophobicContact CZ-CE 4.17Å; V107-M137 HydrophobicContact CG1-CE 3.82Å; L133-M137 WeakPolarHBondContact O-CB 3.31Å; L133-M137 PolarHBondContact O-N 3.42Å; L134-M137 PolarHBondContact O-N 3.04Å
138	A	96.2	Very high	95.7	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.008	16%	0.155	C	C	.	.	H	α-helix	trans	-73.9	-45.2	176.3	0	0	0	0	0	112	L60 F84 Y118 L134 C135 S136 H213 F217	L60-A138 HydrophobicContact CD2-CB 3.86Å; F84-A138 HydrophobicContact CE2-CB 4.36Å; Y118-A138 HydrophobicContact CD1-CB 4.14Å; Y118-A138 HydrophobicContact CD2-CB 3.93Å; Y118-A138 HydrophobicContact CE1-CB 4.12Å; Y118-A138 HydrophobicContact CE2-CB 3.93Å; Y118-A138 HydrophobicContact CG-CB 3.99Å; L134-A138 WeakPolarHBondContact O-CB 3.3Å; L134-A138 PolarHBondContact O-N 2.92Å; C135-A138 PolarHBondContact O-N 2.88Å; S136-A138 VanDerWaalsContact C-N 3.32Å; S136-A138 PolarHBondContact O-N 3Å; A138-H213 PolarHBondContact O-CE1 2.81Å; A138-H213 PolarHBondContact O-NE2 2.86Å; A138-F217 HydrophobicContact CB-CE1 4.2Å; A138-F217 HydrophobicContact CB-CZ 3.97Å; A138-F217 VanDerWaalsContact O-CE2 3.27Å; A138-F217 WeakPolarHBondContact O-CE2 3.22Å; A138-F217 WeakPolarHBondContact O-CZ 3.44Å
139	S	95.1	Very high	95.7	Very high	7 Å²	7	36.1 Å²	36.1	5%	0.049	17%	0.169	C	C	.	.	H	α-helix	trans	-87.3	-20.7	-171	64.1	0	0	0	0	115.1	C135 S136 H213 F217 S245 H247	C135-S139 VanDerWaalsContact O-CB 3.3Å; C135-S139 WeakPolarHBondContact O-CB 3.32Å; C135-S139 PolarHBondContact O-N 3.5Å; C135-S139 PolarHBondContact O-OG 2.74Å; S136-S139 PolarHBondContact O-N 3.1Å; S139-H213 PolarHBondContact O-CE1 3.49Å; S139-H213 VanDerWaalsContact O-CE1 3.32Å; S139-F217 VanDerWaalsContact CA-CE1 3.49Å; S139-S245 PolarHBondContact OG-O 3.02Å; S139-H247 PolarHBondContact OG-N 2.95Å
140	S	93.7	Very high	95.7	Very high	27 Å²	27	35.2 Å²	35.2	19%	0.189	17%	0.172	C	C	.	.	S	Bend	trans	-139.6	60.8	179.5	-60.8	0	0	0	0	113	P89 S136 H247	P89-S140 VanDerWaalsContact CD-O 3.28Å; P89-S140 WeakPolarHBondContact CD-O 3.03Å; S136-S140 PolarHBondContact O-N 3.4Å; S140-H247 WeakPolarHBondContact OG-CB 3.49Å; S140-H247 PolarHBondContact OG-ND1 3.42Å
141	P	94.6	Very high	95.6	Very high	18 Å²	18	38.7 Å²	38.7	12%	0.117	19%	0.19	C	C	.	.			trans	-69.4	139.9	169.8	30.5	-34.1	0	0	0	111.1	Y143 H213	P141-Y143 HydrophobicContact CB-CE1 4.32Å; P141-Y143 HydrophobicContact CB-CE2 4.22Å; P141-Y143 HydrophobicContact CG-CE1 4.32Å; P141-Y143 HydrophobicContact CG-CE2 3.64Å; P141-Y143 VanDerWaalsContact CG-CZ 3.49Å; P141-Y143 VanDerWaalsContact CG-OH 3.27Å; P141-Y143 WeakPolarHBondContact CG-OH 3.41Å; P141-H213 VanDerWaalsContact CD-CE1 3.45Å; P141-H213 WeakPolarHBondContact CD-CE1 3.08Å; P141-H213 VanDerWaalsContact CD-NE2 3.32Å; P141-H213 WeakPolarHBondContact CD-NE2 3.44Å; P141-H213 WeakPolarHBondContact CG-NE2 3.37Å
142	C	94.9	Very high	95.6	Very high	24 Å²	24	38.7 Å²	38.7	16%	0.162	19%	0.19	C	C	.	.			trans	-93.8	117.6	168.5	-66.2	0	0	0	0	110	S87 T88 P89 Y144	S87-C142 WeakPolarHBondContact O-CB 3.33Å; S87-C142 PolarHBondContact O-N 2.88Å; T88-C142 VanDerWaalsContact C-SG 3.53Å; P89-C142 VanDerWaalsContact CD-SG 3.5Å; P89-C142 VanDerWaalsContact N-SG 3.41Å; C142-Y144 HydrophobicContact CB-CD2 4.22Å; C142-Y144 HydrophobicContact CB-CE1 4.38Å; C142-Y144 HydrophobicContact CB-CE2 3.75Å; C142-Y144 PolarHBondContact O-N 3.19Å
143	Y	95.5	Very high	95.7	Very high	14 Å²	14	37 Å²	37	6%	0.055	18%	0.182	C	C	.	.			trans	-92.8	72.9	-180	-62.6	-71	0	0	0	111.7	L79 P141 L148 I209 N210 H213	L79-Y143 HydrophobicContact CD2-CE1 4.43Å; P141-Y143 HydrophobicContact CB-CE1 4.32Å; P141-Y143 HydrophobicContact CB-CE2 4.22Å; P141-Y143 HydrophobicContact CG-CE1 4.32Å; P141-Y143 HydrophobicContact CG-CE2 3.64Å; P141-Y143 VanDerWaalsContact CG-CZ 3.49Å; P141-Y143 VanDerWaalsContact CG-OH 3.27Å; P141-Y143 WeakPolarHBondContact CG-OH 3.41Å; Y143-L148 HydrophobicContact CD1-CD2 4.12Å; Y143-I209 HydrophobicContact CD1-CG2 3.67Å; Y143-I209 HydrophobicContact CD2-CG2 3.6Å; Y143-I209 HydrophobicContact CE1-CG2 3.53Å; Y143-I209 HydrophobicContact CE2-CG2 3.48Å; Y143-I209 VanDerWaalsContact CE2-CG2 3.48Å; Y143-I209 HydrophobicContact CG-CG2 3.68Å; Y143-I209 VanDerWaalsContact CZ-CG2 3.43Å; Y143-N210 VanDerWaalsContact CD2-OD1 3.3Å; Y143-N210 WeakPolarHBondContact CD2-OD1 3.47Å; Y143-H213 PolarHBondContact OH-CD2 3.44Å; Y143-H213 VanDerWaalsContact OH-CD2 3.23Å
144	Y	95.6	Very high	95.7	Very high	92 Å²	92	42.3 Å²	42.3	36%	0.361	20%	0.204	S	C	.	.			trans	-72.5	132.5	174.9	-60.2	-56.2	0	0	0	111.5	C142 W146 E147 L148	C142-Y144 HydrophobicContact CB-CD2 4.22Å; C142-Y144 HydrophobicContact CB-CE1 4.38Å; C142-Y144 HydrophobicContact CB-CE2 3.75Å; C142-Y144 PolarHBondContact O-N 3.19Å; Y144-W146 VanDerWaalsContact C-N 3.3Å; Y144-W146 VanDerWaalsContact CB-CZ2 3.47Å; Y144-W146 AromaticContact CD1-CH2 3.42Å; Y144-W146 HydrophobicContact CD1-CH2 3.42Å; Y144-W146 VanDerWaalsContact CD1-CH2 3.42Å; Y144-W146 AromaticContact CD1-CZ2 3.73Å; Y144-W146 HydrophobicContact CD1-CZ2 3.73Å; Y144-W146 HydrophobicContact CD1-CZ3 4.12Å; Y144-W146 HydrophobicContact CD2-CH2 4.3Å; Y144-W146 AromaticContact CD2-CZ2 3.73Å; Y144-W146 HydrophobicContact CD2-CZ2 3.73Å; Y144-W146 HydrophobicContact CE1-CH2 4.09Å; Y144-W146 HydrophobicContact CE1-CZ2 4.39Å; Y144-W146 HydrophobicContact CE2-CZ2 4.37Å; Y144-W146 AromaticContact CG-CE2 3.94Å; Y144-W146 AromaticContact CG-CH2 3.56Å; Y144-W146 HydrophobicContact CG-CH2 3.56Å; Y144-W146 AromaticContact CG-CZ2 3.36Å; Y144-W146 HydrophobicContact CG-CZ2 3.36Å; Y144-W146 HydrophobicContact CG-CZ3 4.27Å; Y144-W146 PolarHBondContact O-N 2.88Å; Y144-E147 WeakPolarHBondContact CD2-OE2 3.44Å; Y144-E147 PolarHBondContact O-N 2.96Å; Y144-E147 VanDerWaalsContact O-N 3.11Å; Y144-L148 WeakPolarHBondContact O-CG 3.37Å; Y144-L148 PolarHBondContact O-N 3.03Å
145	A	95.7	Very high	95.7	Very high	56 Å²	56	45.4 Å²	45.4	46%	0.463	22%	0.221	S	C	.	.	H	α-helix	trans	-57.3	-39.8	-174.8	0	0	0	0	0	113.5	K149 I206	A145-K149 VanDerWaalsContact O-CB 3.3Å; A145-K149 WeakPolarHBondContact O-CB 3.02Å; A145-K149 PolarHBondContact O-N 3.5Å; A145-I206 HydrophobicContact CB-CD1 4.42Å
146	W	95.5	Very high	95.8	Very high	159 Å²	159	45.4 Å²	45.4	60%	0.602	22%	0.221	S	C	*	.	H	α-helix	trans	-68	-40.8	178.6	61	86.7	0	0	0	111.9	Y144 K149 D150	Y144-W146 VanDerWaalsContact C-N 3.3Å; Y144-W146 VanDerWaalsContact CB-CZ2 3.47Å; Y144-W146 AromaticContact CD1-CH2 3.42Å; Y144-W146 HydrophobicContact CD1-CH2 3.42Å; Y144-W146 VanDerWaalsContact CD1-CH2 3.42Å; Y144-W146 AromaticContact CD1-CZ2 3.73Å; Y144-W146 HydrophobicContact CD1-CZ2 3.73Å; Y144-W146 HydrophobicContact CD1-CZ3 4.12Å; Y144-W146 HydrophobicContact CD2-CH2 4.3Å; Y144-W146 AromaticContact CD2-CZ2 3.73Å; Y144-W146 HydrophobicContact CD2-CZ2 3.73Å; Y144-W146 HydrophobicContact CE1-CH2 4.09Å; Y144-W146 HydrophobicContact CE1-CZ2 4.39Å; Y144-W146 HydrophobicContact CE2-CZ2 4.37Å; Y144-W146 AromaticContact CG-CE2 3.94Å; Y144-W146 AromaticContact CG-CH2 3.56Å; Y144-W146 HydrophobicContact CG-CH2 3.56Å; Y144-W146 AromaticContact CG-CZ2 3.36Å; Y144-W146 HydrophobicContact CG-CZ2 3.36Å; Y144-W146 HydrophobicContact CG-CZ3 4.27Å; Y144-W146 PolarHBondContact O-N 2.88Å; W146-K149 PolarHBondContact O-N 3.11Å; W146-D150 WeakPolarHBondContact O-CB 3.26Å; W146-D150 PolarHBondContact O-N 2.85Å
147	E	95.3	Very high	95.9	Very high	19 Å²	19	47.8 Å²	47.8	9%	0.089	24%	0.237	C	C	.	.	H	α-helix	trans	-70	-40.1	-177.2	-119	-168.2	172.3	0	0	110.6	M86 S87 S93 Y144 I151	M86-E147 HydrophobicContact CE-CB 3.22Å; M86-E147 VanDerWaalsContact CE-CD 3.47Å; M86-E147 HydrophobicContact CE-CG 3.37Å; S87-E147 PolarHBondContact OG-OE1 3.26Å; S87-E147 PolarHBondContact OG-OE2 2.95Å; S93-E147 WeakPolarHBondContact CB-OE1 3.49Å; S93-E147 PolarHBondContact OG-OE1 3.35Å; Y144-E147 WeakPolarHBondContact CD2-OE2 3.44Å; Y144-E147 PolarHBondContact O-N 2.96Å; Y144-E147 VanDerWaalsContact O-N 3.11Å; E147-I151 WeakPolarHBondContact O-CB 3.36Å; E147-I151 PolarHBondContact O-N 2.97Å; E147-I151 VanDerWaalsContact O-N 3.12Å
148	L	97.1	Very high	96.1	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.01	26%	0.262	C	S	.	.	I	π-helix	trans	-59.9	-49.3	169.7	-73.1	-179.3	0	0	0	112.1	L79 Y143 Y144 V152 Y153 I209	L79-L148 HydrophobicContact CD2-CD2 4.43Å; Y143-L148 HydrophobicContact CD1-CD2 4.12Å; Y144-L148 WeakPolarHBondContact O-CG 3.37Å; Y144-L148 PolarHBondContact O-N 3.03Å; L148-V152 HydrophobicContact CD2-CB 3.98Å; L148-V152 HydrophobicContact CD2-CG1 4.23Å; L148-V152 HydrophobicContact CD2-CG2 3.83Å; L148-V152 PolarHBondContact O-N 3.13Å; L148-V152 VanDerWaalsContact O-N 3.11Å; L148-Y153 HydrophobicContact CB-CE1 4.21Å; L148-Y153 HydrophobicContact CB-CE2 4.11Å; L148-Y153 PolarHBondContact O-N 3.4Å; L148-I209 HydrophobicContact CD1-CD1 3.85Å
149	K	96.3	Very high	96.1	Very high	142 Å²	142	54.7 Å²	54.7	62%	0.617	27%	0.268	S	S	*	.	I	π-helix	trans	-62.8	-44.4	-179	-177.4	-177.5	177.4	-176.2	0	112.2	A145 W146 Y153	A145-K149 VanDerWaalsContact O-CB 3.3Å; A145-K149 WeakPolarHBondContact O-CB 3.02Å; A145-K149 PolarHBondContact O-N 3.5Å; W146-K149 PolarHBondContact O-N 3.11Å; K149-Y153 HydrophobicContact CB-CD2 4.4Å
150	D	95.3	Very high	96.2	Very high	89 Å²	89	54.6 Å²	54.6	48%	0.476	27%	0.267	S	S	.	.	I	π-helix	trans	-83.2	-25.6	-170.9	-81.9	-36.6	0	0	0	114.7	W146 K154	W146-D150 WeakPolarHBondContact O-CB 3.26Å; W146-D150 PolarHBondContact O-N 2.85Å; D150-K154 WeakPolarHBondContact O-CD 3.32Å; D150-K154 WeakPolarHBondContact O-CE 3.32Å; D150-K154 PolarHBondContact O-NZ 3.47Å; D150-K154 IonicContact OD1-NZ 2.54Å; D150-K154 PolarHBondContact OD1-NZ 3.32Å
151	I	95.3	Very high	96.3	Very high	73 Å²	73	56.7 Å²	56.7	37%	0.374	28%	0.276	S	S	.	.	I	π-helix	trans	-118.4	-65.2	-175	-54.5	176	0	0	0	110	M86 E147 K154 L155	M86-I151 HydrophobicContact CE-CD1 4.37Å; M86-I151 HydrophobicContact SD-CD1 4.39Å; M86-I151 HydrophobicContact SD-CG2 4.49Å; E147-I151 WeakPolarHBondContact O-CB 3.36Å; E147-I151 PolarHBondContact O-N 2.97Å; E147-I151 VanDerWaalsContact O-N 3.12Å; I151-K154 PolarHBondContact O-N 2.87Å; I151-L155 HydrophobicContact CG2-CD1 3.96Å; I151-L155 WeakPolarHBondContact O-CG 3.27Å; I151-L155 PolarHBondContact O-N 2.92Å
152	V	96.8	Very high	96.4	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.29	C	S	.	.	I	π-helix	trans	-63.2	-51.6	-167.1	-179.6	0	0	0	0	111.5	L79 R82 M86 L148 K154 L155 M156	L79-V152 HydrophobicContact CG-CG1 4.3Å; R82-V152 HydrophobicContact CB-CG1 3.89Å; M86-V152 HydrophobicContact CE-CG2 4.14Å; M86-V152 HydrophobicContact CG-CG2 4.17Å; M86-V152 HydrophobicContact SD-CG2 3.92Å; L148-V152 HydrophobicContact CD2-CB 3.98Å; L148-V152 HydrophobicContact CD2-CG1 4.23Å; L148-V152 HydrophobicContact CD2-CG2 3.83Å; L148-V152 PolarHBondContact O-N 3.13Å; L148-V152 VanDerWaalsContact O-N 3.11Å; V152-K154 VanDerWaalsContact C-N 3.35Å; V152-K154 PolarHBondContact O-N 2.98Å; V152-L155 PolarHBondContact O-N 2.85Å; V152-M156 HydrophobicContact CG1-CG 4.35Å; V152-M156 HydrophobicContact CG1-SD 3.92Å; V152-M156 WeakPolarHBondContact O-CG 3.4Å; V152-M156 PolarHBondContact O-N 3.17Å
153	Y	97.4	Very high	96.4	Very high	41 Å²	41	59 Å²	59	16%	0.161	29%	0.285	C	S	.	.	H	α-helix	trans	-65	-37.7	-178.3	-59.5	-22.2	0	0	0	112.3	L79 L148 K149 L155 M156 S157	L79-Y153 HydrophobicContact CD1-CE1 3.76Å; L79-Y153 HydrophobicContact CG-CE1 4.47Å; L148-Y153 HydrophobicContact CB-CE1 4.21Å; L148-Y153 HydrophobicContact CB-CE2 4.11Å; L148-Y153 PolarHBondContact O-N 3.4Å; K149-Y153 HydrophobicContact CB-CD2 4.4Å; Y153-L155 VanDerWaalsContact C-N 3.33Å; Y153-L155 PolarHBondContact O-N 3.24Å; Y153-M156 HydrophobicContact CD1-SD 4.15Å; Y153-M156 PolarHBondContact O-N 3.36Å; Y153-S157 PolarHBondContact O-N 3.35Å; Y153-S157 PolarHBondContact O-OG 2.83Å; Y153-S157 VanDerWaalsContact O-OG 3.1Å
154	K	97.1	Very high	96.3	Very high	111 Å²	111	60.8 Å²	60.8	48%	0.483	30%	0.296	S	S	.	.	H	α-helix	trans	-64.3	-38.2	175.7	-62.2	-173.8	-164	145.5	0	111.9	D150 I151 V152 K158	D150-K154 WeakPolarHBondContact O-CD 3.32Å; D150-K154 WeakPolarHBondContact O-CE 3.32Å; D150-K154 PolarHBondContact O-NZ 3.47Å; D150-K154 IonicContact OD1-NZ 2.54Å; D150-K154 PolarHBondContact OD1-NZ 3.32Å; I151-K154 PolarHBondContact O-N 2.87Å; V152-K154 VanDerWaalsContact C-N 3.35Å; V152-K154 PolarHBondContact O-N 2.98Å; K154-K158 WeakPolarHBondContact O-CG 3.39Å; K154-K158 PolarHBondContact O-N 2.81Å
155	L	97.3	Very high	96.1	Very high	66 Å²	66	64.8 Å²	64.8	35%	0.346	31%	0.31	S	S	.	.	H	α-helix	trans	-70	-41.3	175	-68.6	175.6	0	0	0	111.6	I151 V152 Y153 K158 D159	I151-L155 HydrophobicContact CG2-CD1 3.96Å; I151-L155 WeakPolarHBondContact O-CG 3.27Å; I151-L155 PolarHBondContact O-N 2.92Å; V152-L155 PolarHBondContact O-N 2.85Å; Y153-L155 VanDerWaalsContact C-N 3.33Å; Y153-L155 PolarHBondContact O-N 3.24Å; L155-K158 PolarHBondContact O-N 2.79Å; L155-D159 PolarHBondContact O-N 2.88Å
156	M	97.8	Very high	95.8	Very high	0 Å²	0	72.2 Å²	72.2	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-60.8	-48.2	175.3	-71.1	175.6	73	0	0	111.5	H78 L79 R82 V152 Y153 K158 D159 V160 V201	H78-M156 HydrophobicContact CB-CE 4.31Å; L79-M156 HydrophobicContact CB-CE 3.9Å; L79-M156 HydrophobicContact CB-SD 3.82Å; L79-M156 HydrophobicContact CG-SD 4.15Å; R82-M156 HydrophobicContact CB-CG 4.22Å; R82-M156 HydrophobicContact CG-CG 4.11Å; V152-M156 HydrophobicContact CG1-CG 4.35Å; V152-M156 HydrophobicContact CG1-SD 3.92Å; V152-M156 WeakPolarHBondContact O-CG 3.4Å; V152-M156 PolarHBondContact O-N 3.17Å; Y153-M156 HydrophobicContact CD1-SD 4.15Å; Y153-M156 PolarHBondContact O-N 3.36Å; M156-K158 VanDerWaalsContact C-N 3.25Å; M156-K158 PolarHBondContact O-N 3.29Å; M156-D159 WeakPolarHBondContact O-CB 3.12Å; M156-D159 PolarHBondContact O-N 3.42Å; M156-V160 WeakPolarHBondContact O-CG2 3.45Å; M156-V160 PolarHBondContact O-N 3.34Å; M156-V201 HydrophobicContact CB-CG1 3.93Å; M156-V201 HydrophobicContact CB-CG2 4.34Å; M156-V201 HydrophobicContact CE-CG2 4.41Å
157	S	97.7	Very high	95.7	Very high	54 Å²	54	67 Å²	67	38%	0.378	31%	0.31	S	S	.	.	H	α-helix	trans	-56.9	-39.6	177.1	-61.3	0	0	0	0	112.1	Y153 V160 D161	Y153-S157 PolarHBondContact O-N 3.35Å; Y153-S157 PolarHBondContact O-OG 2.83Å; Y153-S157 VanDerWaalsContact O-OG 3.1Å; S157-V160 PolarHBondContact O-N 2.8Å; S157-D161 PolarHBondContact O-N 2.82Å
158	K	97.4	Very high	95.7	Very high	129 Å²	129	66.9 Å²	66.9	56%	0.561	31%	0.31	S	S	*	.	H	α-helix	trans	-64.1	-41.1	174.5	-73.1	175.9	-179.2	-179.4	0	112.6	K154 L155 M156 V160 D161 I162	K154-K158 WeakPolarHBondContact O-CG 3.39Å; K154-K158 PolarHBondContact O-N 2.81Å; L155-K158 PolarHBondContact O-N 2.79Å; M156-K158 VanDerWaalsContact C-N 3.25Å; M156-K158 PolarHBondContact O-N 3.29Å; K158-V160 VanDerWaalsContact C-N 3.34Å; K158-D161 PolarHBondContact O-N 3.06Å; K158-I162 WeakPolarHBondContact O-CD1 3.27Å; K158-I162 VanDerWaalsContact O-CG1 3.24Å; K158-I162 WeakPolarHBondContact O-CG1 2.95Å; K158-I162 PolarHBondContact O-N 2.91Å
159	D	97.2	Very high	95.6	Very high	25 Å²	25	70.4 Å²	70.4	13%	0.134	33%	0.329	C	S	.	.	H	α-helix	trans	-62.4	-43.8	176.1	-69	-20.9	0	0	0	111.3	H78 R81 R82 L155 M156 D161 I162 L163	H78-D159 IonicContact CD2-OD2 3.73Å; H78-D159 IonicContact CE1-OD2 3.88Å; H78-D159 IonicContact NE2-OD2 2.78Å; H78-D159 PolarHBondContact NE2-OD2 2.92Å; R81-D159 IonicContact NH2-OD2 2.67Å; R82-D159 IonicContact CZ-OD1 2.73Å; R82-D159 IonicContact CZ-OD2 3.73Å; R82-D159 IonicContact NE-OD1 2.71Å; R82-D159 IonicContact NE-OD2 3.63Å; R82-D159 PolarHBondContact NE-OD2 2.98Å; R82-D159 IonicContact NH2-OD1 3.72Å; R82-D159 PolarHBondContact NH2-OD1 3.23Å; R82-D159 IonicContact NH2-OD2 3.54Å; R82-D159 PolarHBondContact NH2-OD2 3.04Å; L155-D159 PolarHBondContact O-N 2.88Å; M156-D159 WeakPolarHBondContact O-CB 3.12Å; M156-D159 PolarHBondContact O-N 3.42Å; D159-D161 VanDerWaalsContact C-N 3.31Å; D159-D161 PolarHBondContact O-N 3.24Å; D159-I162 PolarHBondContact O-N 2.99Å; D159-L163 PolarHBondContact O-N 3.16Å
160	V	96.8	Very high	95.5	Very high	6 Å²	6	68.7 Å²	68.7	4%	0.036	32%	0.323	C	S	.	.	H	α-helix	trans	-60.5	-43.1	176.4	176.7	0	0	0	0	110.8	M156 S157 K158 L163 N164 I195 S196 A198 V201	M156-V160 WeakPolarHBondContact O-CG2 3.45Å; M156-V160 PolarHBondContact O-N 3.34Å; S157-V160 PolarHBondContact O-N 2.8Å; K158-V160 VanDerWaalsContact C-N 3.34Å; V160-L163 PolarHBondContact O-N 3.49Å; V160-N164 VanDerWaalsContact CG1-ND2 3.31Å; V160-N164 WeakPolarHBondContact CG1-ND2 3.44Å; V160-N164 WeakPolarHBondContact O-CB 3.47Å; V160-N164 PolarHBondContact O-N 3.45Å; V160-N164 PolarHBondContact O-ND2 3.42Å; V160-I195 HydrophobicContact CG2-CG2 3.83Å; V160-S196 WeakPolarHBondContact CG2-O 3.35Å; V160-A198 HydrophobicContact CG1-CB 3.86Å; V160-V201 HydrophobicContact CG2-CG2 4.17Å
161	D	96.1	Very high	95.6	Very high	71 Å²	71	65 Å²	65	38%	0.38	30%	0.303	S	S	.	.	H	α-helix	trans	-64.2	-41.2	176	-76.5	-29.2	0	0	0	112.3	S157 K158 D159 R165	S157-D161 PolarHBondContact O-N 2.82Å; K158-D161 PolarHBondContact O-N 3.06Å; D159-D161 VanDerWaalsContact C-N 3.31Å; D159-D161 PolarHBondContact O-N 3.24Å; D161-R165 VanDerWaalsContact O-CB 3.32Å; D161-R165 WeakPolarHBondContact O-CB 3.33Å; D161-R165 PolarHBondContact O-N 3.33Å; D161-R165 IonicContact OD1-CZ 2.99Å; D161-R165 IonicContact OD1-NH1 3.18Å; D161-R165 PolarHBondContact OD1-NH1 3.37Å; D161-R165 IonicContact OD2-NH1 3.87Å
162	I	96.2	Very high	95.7	Very high	77 Å²	77	61.5 Å²	61.5	40%	0.395	29%	0.285	S	S	.	.	H	α-helix	trans	-63.6	-47.2	177.5	-70.9	163.7	0	0	0	110.4	K158 D159 R166 N167	K158-I162 WeakPolarHBondContact O-CD1 3.27Å; K158-I162 VanDerWaalsContact O-CG1 3.24Å; K158-I162 WeakPolarHBondContact O-CG1 2.95Å; K158-I162 PolarHBondContact O-N 2.91Å; D159-I162 PolarHBondContact O-N 2.99Å; I162-R166 WeakPolarHBondContact O-CA 3.43Å; I162-R166 WeakPolarHBondContact O-CB 3.48Å; I162-R166 PolarHBondContact O-N 3.15Å; I162-N167 PolarHBondContact O-N 3.43Å
163	L	95.4	Very high	95.7	Very high	12 Å²	12	62.4 Å²	62.4	6%	0.063	29%	0.29	C	S	.	.	H	α-helix	trans	-59.6	-50.2	178.2	-178.5	66.4	0	0	0	111	D159 V160 R165 N167 E170 L171 I195	D159-L163 PolarHBondContact O-N 3.16Å; V160-L163 PolarHBondContact O-N 3.49Å; L163-R165 PolarHBondContact O-N 2.9Å; L163-N167 CarbonylContact O-C 3.57Å; L163-E170 HydrophobicContact CD1-CB 3.68Å; L163-L171 HydrophobicContact CD1-CB 4.1Å; L163-L171 HydrophobicContact CD2-CD1 4.38Å; L163-L171 HydrophobicContact CG-CB 4.27Å; L163-L171 HydrophobicContact CG-CD1 4.29Å; L163-I195 HydrophobicContact CD2-CB 3.8Å; L163-I195 HydrophobicContact CD2-CG1 4.01Å; L163-I195 HydrophobicContact CD2-CG2 4.04Å
164	N	92.7	Very high	95.7	Very high	53 Å²	53	61.2 Å²	61.2	28%	0.283	29%	0.286	S	S	.	.	H	α-helix	trans	-75.7	-21.9	-173	-74.4	-52.1	0	0	0	114.7	V160 L168	V160-N164 VanDerWaalsContact CG1-ND2 3.31Å; V160-N164 WeakPolarHBondContact CG1-ND2 3.44Å; V160-N164 WeakPolarHBondContact O-CB 3.47Å; V160-N164 PolarHBondContact O-N 3.45Å; V160-N164 PolarHBondContact O-ND2 3.42Å; N164-L168 WeakPolarHBondContact O-CD2 3.42Å
165	R	91.3	Very high	95.7	Very high	176 Å²	176	57 Å²	57	66%	0.664	27%	0.268	S	S	*	.	H	α-helix	trans	-117	-28.1	-174.9	-60.6	-168.3	177.3	100.9	1.1	115.1	D161 L163	D161-R165 VanDerWaalsContact O-CB 3.32Å; D161-R165 WeakPolarHBondContact O-CB 3.33Å; D161-R165 PolarHBondContact O-N 3.33Å; D161-R165 IonicContact OD1-CZ 2.99Å; D161-R165 IonicContact OD1-NH1 3.18Å; D161-R165 PolarHBondContact OD1-NH1 3.37Å; D161-R165 IonicContact OD2-NH1 3.87Å; L163-R165 PolarHBondContact O-N 2.9Å
166	R	90.6	Very high	95.7	Very high	212 Å²	212	53.8 Å²	53.8	80%	0.8	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119	-34	-171.1	-62.8	-176.3	179.4	-178.7	-0.2	112.9	I162	I162-R166 WeakPolarHBondContact O-CA 3.43Å; I162-R166 WeakPolarHBondContact O-CB 3.48Å; I162-R166 PolarHBondContact O-N 3.15Å
167	N	93.7	Very high	95.6	Very high	48 Å²	48	53.8 Å²	53.8	26%	0.257	25%	0.252	S	S	.	.			trans	-111.1	59.8	-175.2	-152.1	-7.2	0	0	0	112.4	I162 L163 N169 E170 L171	I162-N167 PolarHBondContact O-N 3.43Å; L163-N167 CarbonylContact O-C 3.57Å; N167-N169 PolarHBondContact O-N 2.89Å; N167-E170 HydrophobicContact CB-CB 4.38Å; N167-E170 WeakPolarHBondContact ND2-CG 3.47Å; N167-E170 PolarHBondContact ND2-OE1 2.96Å; N167-E170 PolarHBondContact ND2-OE2 3.05Å; N167-E170 PolarHBondContact O-N 2.98Å; N167-E170 VanDerWaalsContact O-N 3.13Å; N167-L171 PolarHBondContact O-N 3.18Å
168	L	94.4	Very high	95.5	Very high	17 Å²	17	55 Å²	55	9%	0.089	25%	0.251	C	S	.	.	H	α-helix	trans	-64.1	-25.6	-176.1	-57.8	-174.8	0	0	0	113.4	N164 L171 G172 L271 A274 Y278 V449	N164-L168 WeakPolarHBondContact O-CD2 3.42Å; L168-L171 HydrophobicContact CD2-CD2 4.27Å; L168-L171 PolarHBondContact O-N 3.4Å; L168-G172 PolarHBondContact O-N 3.45Å; L168-L271 HydrophobicContact CD1-CD1 4.21Å; L168-L271 HydrophobicContact CD2-CD1 3.56Å; L168-A274 HydrophobicContact CD1-CB 3.43Å; L168-A274 VanDerWaalsContact CD1-CB 3.43Å; L168-Y278 HydrophobicContact CB-CD2 3.78Å; L168-Y278 HydrophobicContact CB-CE2 3.74Å; L168-V449 HydrophobicContact CB-CG1 3.98Å; L168-V449 HydrophobicContact CD2-CG1 4.19Å; L168-V449 HydrophobicContact CG-CG1 4.45Å
169	N	94.3	Very high	95.5	Very high	77 Å²	77	49.1 Å²	49.1	41%	0.412	23%	0.227	S	C	.	.	H	α-helix	trans	-60.7	-52.4	171	177.1	-23.5	0	0	0	111	N167 L171 G172 M173 Y278 Y280	N167-N169 PolarHBondContact O-N 2.89Å; N169-L171 VanDerWaalsContact C-N 3.31Å; N169-L171 PolarHBondContact O-N 3.49Å; N169-G172 PolarHBondContact O-N 2.65Å; N169-M173 PolarHBondContact O-N 2.73Å; N169-M173 VanDerWaalsContact O-N 3.07Å; N169-Y278 HydrophobicContact CB-CD1 3.92Å; N169-Y278 HydrophobicContact CB-CE1 3.77Å; N169-Y280 WeakPolarHBondContact CA-OH 3.33Å; N169-Y280 PolarHBondContact O-OH 2.84Å; N169-Y280 VanDerWaalsContact O-OH 3.04Å; N169-Y280 PolarHBondContact OD1-OH 3.39Å
170	E	95.7	Very high	95.4	Very high	105 Å²	105	48 Å²	48	49%	0.491	22%	0.221	S	C	.	.	H	α-helix	trans	-62.7	-39.5	175.8	-77.8	179.2	-164.3	0	0	111.5	L163 N167 G172 M173 E174	L163-E170 HydrophobicContact CD1-CB 3.68Å; N167-E170 HydrophobicContact CB-CB 4.38Å; N167-E170 WeakPolarHBondContact ND2-CG 3.47Å; N167-E170 PolarHBondContact ND2-OE1 2.96Å; N167-E170 PolarHBondContact ND2-OE2 3.05Å; N167-E170 PolarHBondContact O-N 2.98Å; N167-E170 VanDerWaalsContact O-N 3.13Å; E170-G172 VanDerWaalsContact C-N 3.31Å; E170-G172 PolarHBondContact O-N 3.41Å; E170-M173 WeakPolarHBondContact O-CB 3.47Å; E170-M173 PolarHBondContact O-N 2.96Å; E170-M173 VanDerWaalsContact O-N 3.13Å; E170-E174 WeakPolarHBondContact O-CG 3.42Å; E170-E174 PolarHBondContact O-N 2.6Å
171	L	96.7	Very high	95.3	Very high	11 Å²	11	47.8 Å²	47.8	6%	0.058	22%	0.219	C	C	.	.	H	α-helix	trans	-57.6	-44.9	175.2	-179.8	60.5	0	0	0	111.4	L163 N167 L168 N169 M173 E174 L175 R269 L271 V449	L163-L171 HydrophobicContact CD1-CB 4.1Å; L163-L171 HydrophobicContact CD2-CD1 4.38Å; L163-L171 HydrophobicContact CG-CB 4.27Å; L163-L171 HydrophobicContact CG-CD1 4.29Å; N167-L171 PolarHBondContact O-N 3.18Å; L168-L171 HydrophobicContact CD2-CD2 4.27Å; L168-L171 PolarHBondContact O-N 3.4Å; N169-L171 VanDerWaalsContact C-N 3.31Å; N169-L171 PolarHBondContact O-N 3.49Å; L171-M173 VanDerWaalsContact C-N 3.34Å; L171-M173 PolarHBondContact O-N 3.28Å; L171-E174 PolarHBondContact O-N 3.2Å; L171-L175 HydrophobicContact CD1-CD1 4.3Å; L171-L175 HydrophobicContact CD1-CG 4.23Å; L171-L175 HydrophobicContact CG-CD1 4.12Å; L171-L175 HydrophobicContact CG-CG 4.46Å; L171-L175 VanDerWaalsContact O-CG 3.3Å; L171-L175 WeakPolarHBondContact O-CG 3.32Å; L171-L175 PolarHBondContact O-N 2.81Å; L171-R269 HydrophobicContact CD2-CG 4.27Å; L171-L271 HydrophobicContact CD2-CD1 4.46Å; L171-V449 HydrophobicContact CD2-CG1 4Å; L171-V449 HydrophobicContact CG-CG2 4.26Å
172	G	97	Very high	95.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.3	-43.1	175.3	0	0	0	0	0	112.3	L168 N169 E170 E174 L175 L176 S447	L168-G172 PolarHBondContact O-N 3.45Å; N169-G172 PolarHBondContact O-N 2.65Å; E170-G172 VanDerWaalsContact C-N 3.31Å; E170-G172 PolarHBondContact O-N 3.41Å; G172-E174 VanDerWaalsContact C-N 3.34Å; G172-E174 PolarHBondContact O-N 3.37Å; G172-L175 PolarHBondContact O-N 2.99Å; G172-L176 WeakPolarHBondContact O-CB 3.47Å; G172-L176 PolarHBondContact O-N 3.36Å; G172-S447 PolarHBondContact O-OG 2.82Å
173	M	96.9	Very high	94.7	Very high	20 Å²	20	44.4 Å²	44.4	10%	0.099	21%	0.209	C	C	.	.	H	α-helix	trans	-61.9	-39.7	175	-172.3	82	-100.6	0	0	112.3	N169 E170 L171 L176 H177 Y280 F333 K335	N169-M173 PolarHBondContact O-N 2.73Å; N169-M173 VanDerWaalsContact O-N 3.07Å; E170-M173 WeakPolarHBondContact O-CB 3.47Å; E170-M173 PolarHBondContact O-N 2.96Å; E170-M173 VanDerWaalsContact O-N 3.13Å; L171-M173 VanDerWaalsContact C-N 3.34Å; L171-M173 PolarHBondContact O-N 3.28Å; M173-L176 HydrophobicContact CE-CB 4.16Å; M173-L176 HydrophobicContact CE-CD2 3.34Å; M173-L176 HydrophobicContact CE-CG 4.19Å; M173-L176 WeakPolarHBondContact O-CB 3.35Å; M173-L176 PolarHBondContact O-N 2.59Å; M173-H177 WeakPolarHBondContact CE-CE1 3.22Å; M173-H177 PolarHBondContact O-N 3.29Å; M173-H177 PolarHBondContact O-ND1 2.82Å; M173-Y280 HydrophobicContact SD-CD1 4.47Å; M173-F333 HydrophobicContact CE-CD2 4.45Å; M173-F333 HydrophobicContact CE-CE2 3.76Å; M173-F333 HydrophobicContact CE-CZ 4.1Å; M173-F333 HydrophobicContact SD-CE2 4.36Å; M173-K335 HydrophobicContact CE-CG 4.36Å; M173-K335 VanDerWaalsContact SD-CE 3.6Å
174	E	96.9	Very high	94.2	Very high	16 Å²	16	46.9 Å²	46.9	8%	0.075	23%	0.228	C	C	.	.	H	α-helix	trans	-66.7	-45.5	177.8	-65.8	-59.4	113.3	0	0	111.6	R113 E170 L171 G172 L176 H177 E178 S193 L194	R113-E174 IonicContact CZ-OE1 3.92Å; R113-E174 IonicContact CZ-OE2 3.23Å; R113-E174 IonicContact NH1-OE1 2.9Å; R113-E174 PolarHBondContact NH1-OE1 3.24Å; R113-E174 IonicContact NH1-OE2 3.64Å; R113-E174 IonicContact NH2-OE1 2.56Å; R113-E174 PolarHBondContact NH2-OE1 3.38Å; R113-E174 IonicContact NH2-OE2 2.72Å; R113-E174 PolarHBondContact NH2-OE2 3Å; E170-E174 WeakPolarHBondContact O-CG 3.42Å; E170-E174 PolarHBondContact O-N 2.6Å; L171-E174 PolarHBondContact O-N 3.2Å; G172-E174 VanDerWaalsContact C-N 3.34Å; G172-E174 PolarHBondContact O-N 3.37Å; E174-L176 VanDerWaalsContact C-N 3.27Å; E174-L176 PolarHBondContact O-N 3.4Å; E174-H177 PolarHBondContact O-N 3.12Å; E174-H177 VanDerWaalsContact O-N 3.14Å; E174-E178 PolarHBondContact O-N 2.97Å; E174-E178 VanDerWaalsContact O-N 3.11Å; E174-S193 WeakPolarHBondContact OE2-CA 3.35Å; E174-S193 WeakPolarHBondContact OE2-CB 3.3Å; E174-S193 PolarHBondContact OE2-OG 3.45Å; E174-L194 PolarHBondContact OE2-N 3.44Å
175	L	97.4	Very high	93.6	Very high	21 Å²	21	49 Å²	49	11%	0.11	24%	0.239	C	C	.	.	H	α-helix	trans	-64.1	-31.9	174.7	-63.7	174.8	0	0	0	112.2	L171 G172 H177 E178 A179 I267 R269 V449	L171-L175 HydrophobicContact CD1-CD1 4.3Å; L171-L175 HydrophobicContact CD1-CG 4.23Å; L171-L175 HydrophobicContact CG-CD1 4.12Å; L171-L175 HydrophobicContact CG-CG 4.46Å; L171-L175 VanDerWaalsContact O-CG 3.3Å; L171-L175 WeakPolarHBondContact O-CG 3.32Å; L171-L175 PolarHBondContact O-N 2.81Å; G172-L175 PolarHBondContact O-N 2.99Å; L175-H177 VanDerWaalsContact C-N 3.32Å; L175-H177 PolarHBondContact O-N 2.86Å; L175-E178 PolarHBondContact O-N 3.11Å; L175-A179 WeakPolarHBondContact O-CB 3.42Å; L175-A179 PolarHBondContact O-N 3.3Å; L175-I267 HydrophobicContact CB-CB 4.5Å; L175-I267 HydrophobicContact CB-CG2 4.22Å; L175-I267 HydrophobicContact CD1-CG2 4.35Å; L175-I267 HydrophobicContact CD2-CG2 3.99Å; L175-I267 HydrophobicContact CG-CG2 4.41Å; L175-R269 HydrophobicContact CD1-CB 3.66Å; L175-R269 HydrophobicContact CD1-CG 4.33Å; L175-V449 HydrophobicContact CD1-CG2 3.73Å
176	L	97.8	Very high	93	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.6	-40.8	173.8	-176.8	64.1	0	0	0	111.7	G172 M173 E174 A179 A180 Y280 A282 F333 A445	G172-L176 WeakPolarHBondContact O-CB 3.47Å; G172-L176 PolarHBondContact O-N 3.36Å; M173-L176 HydrophobicContact CE-CB 4.16Å; M173-L176 HydrophobicContact CE-CD2 3.34Å; M173-L176 HydrophobicContact CE-CG 4.19Å; M173-L176 WeakPolarHBondContact O-CB 3.35Å; M173-L176 PolarHBondContact O-N 2.59Å; E174-L176 VanDerWaalsContact C-N 3.27Å; E174-L176 PolarHBondContact O-N 3.4Å; L176-A179 PolarHBondContact O-N 3.04Å; L176-A180 WeakPolarHBondContact O-CB 3.29Å; L176-A180 PolarHBondContact O-N 3.04Å; L176-Y280 HydrophobicContact CD2-CG 4.34Å; L176-A282 HydrophobicContact CD1-CB 4.14Å; L176-A282 HydrophobicContact CD2-CB 3.68Å; L176-A282 HydrophobicContact CG-CB 4.26Å; L176-F333 HydrophobicContact CD2-CE2 4.02Å; L176-F333 HydrophobicContact CD2-CZ 3.55Å; L176-A445 HydrophobicContact CD1-CB 3.7Å; L176-A445 WeakPolarHBondContact CD1-O 3.43Å
177	H	96.4	Very high	92.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-67.9	-40.4	177.2	-73	91.2	0	0	0	111.5	R113 M173 E174 L175 A179 A180 F181 G191 Y337	R113-H177 VanDerWaalsContact CZ-CG 3.42Å; R113-H177 PolarHBondContact NE-CD2 2.96Å; R113-H177 PolarHBondContact NH2-ND1 3.11Å; M173-H177 WeakPolarHBondContact CE-CE1 3.22Å; M173-H177 PolarHBondContact O-N 3.29Å; M173-H177 PolarHBondContact O-ND1 2.82Å; E174-H177 PolarHBondContact O-N 3.12Å; E174-H177 VanDerWaalsContact O-N 3.14Å; L175-H177 VanDerWaalsContact C-N 3.32Å; L175-H177 PolarHBondContact O-N 2.86Å; H177-A179 VanDerWaalsContact C-N 3.32Å; H177-A179 PolarHBondContact O-N 3.31Å; H177-A180 PolarHBondContact O-N 3.05Å; H177-F181 PolarHBondContact O-N 2.89Å; H177-G191 WeakPolarHBondContact O-CA 3.34Å; H177-Y337 PolarHBondContact CD2-OH 2.66Å; H177-Y337 AromaticContact NE2-CZ 3.7Å; H177-Y337 PolarHBondContact NE2-OH 2.81Å
178	E	95.7	Very high	92.1	Very high	78 Å²	78	31.3 Å²	31.3	36%	0.364	18%	0.18	S	C	.	.	H	α-helix	trans	-58.1	-45.6	173.1	-171	179.2	154.5	0	0	110.9	E174 L175 G182 T183 I267	E174-E178 PolarHBondContact O-N 2.97Å; E174-E178 VanDerWaalsContact O-N 3.11Å; L175-E178 PolarHBondContact O-N 3.11Å; E178-G182 WeakPolarHBondContact O-CA 3.35Å; E178-G182 PolarHBondContact O-N 3.24Å; E178-T183 HydrophobicContact CG-CG2 3.8Å; E178-I267 HydrophobicContact CB-CD1 3.72Å; E178-I267 HydrophobicContact CG-CD1 3.58Å
179	A	96	Very high	91.8	Very high	7 Å²	7	30.8 Å²	30.8	6%	0.058	18%	0.178	C	C	.	.	H	α-helix	trans	-66.7	-35.9	175.6	0	0	0	0	0	113	L175 L176 H177 G264 G265 I267 A445	L175-A179 WeakPolarHBondContact O-CB 3.42Å; L175-A179 PolarHBondContact O-N 3.3Å; L176-A179 PolarHBondContact O-N 3.04Å; H177-A179 VanDerWaalsContact C-N 3.32Å; H177-A179 PolarHBondContact O-N 3.31Å; A179-G264 CarbonylContact O-C 2.83Å; A179-G264 WeakPolarHBondContact O-CA 3.32Å; A179-G265 PolarHBondContact O-N 3.3Å; A179-I267 HydrophobicContact CB-CB 4.47Å; A179-I267 HydrophobicContact CB-CD1 3.92Å; A179-I267 HydrophobicContact CB-CG1 3.9Å; A179-A445 HydrophobicContact CB-CB 4.34Å
180	A	95.4	Very high	91.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-72.7	-40.3	-177.2	0	0	0	0	0	113.2	L176 H177 F262 V263 G264 L342 A445	L176-A180 WeakPolarHBondContact O-CB 3.29Å; L176-A180 PolarHBondContact O-N 3.04Å; H177-A180 PolarHBondContact O-N 3.05Å; A180-F262 HydrophobicContact CB-CD2 4.06Å; A180-F262 HydrophobicContact CB-CE2 3.62Å; A180-F262 HydrophobicContact CB-CZ 4.47Å; A180-V263 PolarHBondContact O-N 3.19Å; A180-G264 PolarHBondContact O-N 3.07Å; A180-G264 VanDerWaalsContact O-N 3.12Å; A180-L342 HydrophobicContact CB-CD1 4.18Å; A180-L342 HydrophobicContact CB-CD2 4.18Å; A180-A445 HydrophobicContact CB-CB 3.61Å
181	F	93.9	Very high	91.6	Very high	3 Å²	3	22.1 Å²	22.1	1%	0.013	14%	0.136	C	C	.	.	H	α-helix	trans	-120.3	-14.6	-169.1	-62.6	-65.4	0	0	0	113.9	H177 C188 L190 F262 V263 Y337 H340 L342	H177-F181 PolarHBondContact O-N 2.89Å; F181-C188 WeakPolarHBondContact CD1-SG 3.49Å; F181-L190 HydrophobicContact CB-CB 4.24Å; F181-L190 HydrophobicContact CD1-CB 4.37Å; F181-L190 HydrophobicContact CD1-CD1 4.44Å; F181-L190 HydrophobicContact CD2-CB 3.42Å; F181-L190 VanDerWaalsContact CD2-CB 3.42Å; F181-L190 HydrophobicContact CD2-CD1 4.37Å; F181-L190 HydrophobicContact CE1-CD1 4.03Å; F181-L190 HydrophobicContact CE2-CB 3.73Å; F181-L190 HydrophobicContact CE2-CD1 3.95Å; F181-L190 HydrophobicContact CG-CB 3.77Å; F181-L190 HydrophobicContact CZ-CB 4.34Å; F181-L190 HydrophobicContact CZ-CD1 3.77Å; F181-F262 HydrophobicContact CE1-CD2 4.37Å; F181-V263 WeakPolarHBondContact O-CG2 3.34Å; F181-Y337 HydrophobicContact CE2-CE2 4.22Å; F181-Y337 HydrophobicContact CZ-CD2 4.48Å; F181-Y337 HydrophobicContact CZ-CE2 4.49Å; F181-H340 HydrophobicContact CE1-CB 3.94Å; F181-H340 AromaticContact CE1-CG 3.95Å; F181-H340 HydrophobicContact CZ-CB 4.01Å; F181-L342 HydrophobicContact CE2-CD1 3.74Å; F181-L342 HydrophobicContact CE2-CD2 4.26Å; F181-L342 HydrophobicContact CE2-CG 4.09Å; F181-L342 HydrophobicContact CZ-CD1 4.18Å; F181-L342 HydrophobicContact CZ-CD2 3.92Å; F181-L342 HydrophobicContact CZ-CG 4Å
182	G	91.9	Very high	91.5	Very high	22 Å²	22	22 Å²	22	23%	0.227	14%	0.135	C	C	.	.			trans	67.8	175.1	-174.2	0	0	0	0	0	113.6	E178 G191	E178-G182 WeakPolarHBondContact O-CA 3.35Å; E178-G182 PolarHBondContact O-N 3.24Å; G182-G191 WeakPolarHBondContact O-CA 3.2Å
183	T	88.3	Confident	91.5	Very high	55 Å²	55	23.5 Å²	23.5	34%	0.337	15%	0.145	S	C	.	.	S	Bend	trans	-116.4	30.9	-179.7	61	0	0	0	0	112.3	E178 Y192	E178-T183 HydrophobicContact CG-CG2 3.8Å; T183-Y192 HydrophobicContact CG2-CD1 4.17Å; T183-Y192 HydrophobicContact CG2-CE1 4.19Å; T183-Y192 PolarHBondContact O-OH 2.88Å
184	S	85.1	Confident	91.4	Very high	64 Å²	64	24.6 Å²	24.6	45%	0.448	15%	0.151	S	C	.	.			trans	-76.3	147.2	176.4	-175.3	0	0	0	0	110.7	S186 G187	S184-S186 PolarHBondContact O-N 2.87Å; S184-S186 PolarHBondContact OG-N 2.7Å; S184-S186 PolarHBondContact OG-OG 2.77Å; S184-G187 WeakPolarHBondContact O-CA 3.13Å; S184-G187 PolarHBondContact O-N 2.86Å
185	D	80.1	Confident	91.4	Very high	97 Å²	97	25.1 Å²	25.1	52%	0.519	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-26.7	170.7	-76.2	-31	0	0	0	113	S71	S71-D185 WeakPolarHBondContact CB-OD1 3.47Å; S71-D185 WeakPolarHBondContact CB-OD2 3.43Å; S71-D185 PolarHBondContact N-OD1 3.08Å; S71-D185 PolarHBondContact OG-OD1 2.88Å; S71-D185 VanDerWaalsContact OG-OD1 3.08Å; S71-D185 PolarHBondContact OG-OD2 2.72Å
186	S	78.4	Confident	91.3	Very high	51 Å²	51	24.2 Å²	24.2	36%	0.357	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-5.7	169	66.7	0	0	0	0	112.3	S184 H260	S184-S186 PolarHBondContact O-N 2.87Å; S184-S186 PolarHBondContact OG-N 2.7Å; S184-S186 PolarHBondContact OG-OG 2.77Å; S186-H260 WeakPolarHBondContact CB-CD2 3.11Å; S186-H260 WeakPolarHBondContact O-CB 3.36Å; S186-H260 PolarHBondContact O-CD2 2.78Å; S186-H260 PolarHBondContact OG-CD2 3.26Å; S186-H260 PolarHBondContact OG-NE2 2.97Å
187	G	80.4	Confident	91.1	Very high	9 Å²	9	26.5 Å²	26.5	9%	0.093	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-64.8	168.9	179.4	0	0	0	0	0	114.2	S184 G189	S184-G187 WeakPolarHBondContact O-CA 3.13Å; S184-G187 PolarHBondContact O-N 2.86Å; G187-G189 PolarHBondContact O-N 3.16Å
188	C	85.3	Confident	91	Very high	4 Å²	4	29.8 Å²	29.8	3%	0.027	19%	0.192	C	C	.	.			trans	-72.1	-2.1	167.5	61.9	0	0	0	0	114.2	R67 F181 L190 H260	R67-C188 WeakPolarHBondContact CG-O 3.32Å; F181-C188 WeakPolarHBondContact CD1-SG 3.49Å; C188-L190 PolarHBondContact O-N 3.13Å; C188-L190 VanDerWaalsContact O-N 3.15Å; C188-H260 WeakPolarHBondContact CB-O 3.29Å; C188-H260 PolarHBondContact N-O 3.36Å
189	G	89	Confident	90.9	Very high	6 Å²	6	31.6 Å²	31.6	6%	0.062	20%	0.204	C	C	.	.	S	Bend	trans	75.6	-11.9	179.9	0	0	0	0	0	115.8	R67 G187 G191 Y192	R67-G189 WeakPolarHBondContact CA-O 3.39Å; R67-G189 WeakPolarHBondContact O-CA 3.27Å; G187-G189 PolarHBondContact O-N 3.16Å; G189-G191 PolarHBondContact O-N 3.49Å; G189-G191 VanDerWaalsContact O-N 3.16Å; G189-Y192 VanDerWaalsContact O-CD2 3.31Å; G189-Y192 WeakPolarHBondContact O-CD2 3.33Å; G189-Y192 PolarHBondContact O-N 2.72Å
190	L	92.2	Very high	90.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-15.6	-177.8	-68.3	172.4	0	0	0	114.3	R67 R113 E114 F181 C188 Y192 Y337 H340	R67-L190 HydrophobicContact CB-CD2 4.17Å; R67-L190 HydrophobicContact CG-CD2 4.07Å; R67-L190 HydrophobicContact CG-CG 4.38Å; R113-L190 HydrophobicContact CB-CD2 4.05Å; R113-L190 PolarHBondContact NE-O 2.82Å; E114-L190 HydrophobicContact CG-CD2 4.38Å; F181-L190 HydrophobicContact CB-CB 4.24Å; F181-L190 HydrophobicContact CD1-CB 4.37Å; F181-L190 HydrophobicContact CD1-CD1 4.44Å; F181-L190 HydrophobicContact CD2-CB 3.42Å; F181-L190 VanDerWaalsContact CD2-CB 3.42Å; F181-L190 HydrophobicContact CD2-CD1 4.37Å; F181-L190 HydrophobicContact CE1-CD1 4.03Å; F181-L190 HydrophobicContact CE2-CB 3.73Å; F181-L190 HydrophobicContact CE2-CD1 3.95Å; F181-L190 HydrophobicContact CG-CB 3.77Å; F181-L190 HydrophobicContact CZ-CB 4.34Å; F181-L190 HydrophobicContact CZ-CD1 3.77Å; C188-L190 PolarHBondContact O-N 3.13Å; C188-L190 VanDerWaalsContact O-N 3.15Å; L190-Y192 VanDerWaalsContact C-N 3.33Å; L190-Y337 HydrophobicContact CD1-CD2 3.63Å; L190-Y337 HydrophobicContact CD1-CE2 4.25Å; L190-Y337 HydrophobicContact CD1-CG 3.83Å; L190-Y337 HydrophobicContact CD2-CD1 3.73Å; L190-Y337 HydrophobicContact CD2-CD2 4.16Å; L190-Y337 HydrophobicContact CD2-CE1 4.03Å; L190-Y337 HydrophobicContact CD2-CE2 4.42Å; L190-Y337 HydrophobicContact CD2-CG 3.81Å; L190-Y337 HydrophobicContact CG-CD2 4.5Å; L190-Y337 HydrophobicContact CG-CG 4.49Å; L190-H340 HydrophobicContact CD1-CB 4.04Å
191	G	93.2	Very high	90.7	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.01	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-13.3	176.3	0	0	0	0	0	114.3	H177 G182 G189	H177-G191 WeakPolarHBondContact O-CA 3.34Å; G182-G191 WeakPolarHBondContact O-CA 3.2Å; G189-G191 PolarHBondContact O-N 3.49Å; G189-G191 VanDerWaalsContact O-N 3.16Å
192	Y	94.7	Very high	90.7	Very high	8 Å²	8	36.5 Å²	36.5	3%	0.031	24%	0.235	C	C	.	.	S	Bend	trans	-72	135.7	172.6	-62.8	-56.5	0	0	0	111.2	S66 E69 S71 R74 T183 G189 L190	S66-Y192 WeakPolarHBondContact CB-O 3.36Å; S66-Y192 PolarHBondContact OG-O 2.85Å; E69-Y192 HydrophobicContact CB-CD2 3.86Å; E69-Y192 HydrophobicContact CB-CE2 4.31Å; E69-Y192 HydrophobicContact CB-CG 4.26Å; E69-Y192 WeakPolarHBondContact O-CE2 3.38Å; S71-Y192 PolarHBondContact N-OH 2.85Å; R74-Y192 HydrophobicContact CG-CD1 3.71Å; R74-Y192 HydrophobicContact CG-CE1 3.51Å; T183-Y192 HydrophobicContact CG2-CD1 4.17Å; T183-Y192 HydrophobicContact CG2-CE1 4.19Å; T183-Y192 PolarHBondContact O-OH 2.88Å; G189-Y192 VanDerWaalsContact O-CD2 3.31Å; G189-Y192 WeakPolarHBondContact O-CD2 3.33Å; G189-Y192 PolarHBondContact O-N 2.72Å; L190-Y192 VanDerWaalsContact C-N 3.33Å
193	S	95.4	Very high	90.9	Very high	32 Å²	32	37.9 Å²	37.9	22%	0.224	24%	0.241	C	C	.	.			trans	-70.3	149.4	-178	-175.3	0	0	0	0	112.5	S66 E174 I195	S66-S193 WeakPolarHBondContact CB-O 3.5Å; E174-S193 WeakPolarHBondContact OE2-CA 3.35Å; E174-S193 WeakPolarHBondContact OE2-CB 3.3Å; E174-S193 PolarHBondContact OE2-OG 3.45Å; S193-I195 WeakPolarHBondContact CB-O 3.5Å; S193-I195 PolarHBondContact O-N 3.23Å; S193-I195 PolarHBondContact OG-N 3.37Å; S193-I195 PolarHBondContact OG-O 2.94Å
194	L	95.8	Very high	91.2	Very high	42 Å²	42	35.7 Å²	35.7	22%	0.22	23%	0.227	C	C	.	.	S	Bend	trans	-65.5	-21.5	169.8	-70.1	169.3	0	0	0	113.1	T112 R113 E174	T112-L194 VanDerWaalsContact C-CD2 3.45Å; R113-L194 HydrophobicContact CG-CD2 3.98Å; R113-L194 HydrophobicContact CG-CG 4.26Å; E174-L194 PolarHBondContact OE2-N 3.44Å
195	I	96.4	Very high	91.7	Very high	28 Å²	28	35.1 Å²	35.1	14%	0.144	22%	0.223	C	C	.	.	S	Bend	trans	-113.2	132.9	179.4	-57.4	-59.2	0	0	0	108.1	V160 L163 S193	V160-I195 HydrophobicContact CG2-CG2 3.83Å; L163-I195 HydrophobicContact CD2-CB 3.8Å; L163-I195 HydrophobicContact CD2-CG1 4.01Å; L163-I195 HydrophobicContact CD2-CG2 4.04Å; S193-I195 WeakPolarHBondContact CB-O 3.5Å; S193-I195 PolarHBondContact O-N 3.23Å; S193-I195 PolarHBondContact OG-N 3.37Å; S193-I195 PolarHBondContact OG-O 2.94Å
196	S	95.3	Very high	92.4	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.014	22%	0.216	C	C	.	.			trans	-60.4	137.4	179.7	-174.5	0	0	0	0	110.6	H78 V160	H78-S196 WeakPolarHBondContact ND1-CB 3.35Å; H78-S196 PolarHBondContact ND1-N 2.96Å; V160-S196 WeakPolarHBondContact CG2-O 3.35Å
197	P	93.7	Very high	93.2	Very high	48 Å²	48	37.4 Å²	37.4	31%	0.312	23%	0.231	S	C	.	.			trans	-66.6	150.1	171.9	32.2	-37	0	0	0	110.3	D199 R200	P197-D199 WeakPolarHBondContact CB-OD1 3.32Å; P197-D199 PolarHBondContact O-N 2.89Å; P197-D199 VanDerWaalsContact O-N 3.13Å; P197-R200 HydrophobicContact CG-CB 3.92Å; P197-R200 HydrophobicContact CG-CG 3.51Å; P197-R200 PolarHBondContact O-N 3.21Å
198	A	94	Very high	94	Very high	69 Å²	69	39.6 Å²	39.6	57%	0.57	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-34.7	-168.5	0	0	0	0	0	113.7	V160 R200	V160-A198 HydrophobicContact CG1-CB 3.86Å; A198-R200 VanDerWaalsContact C-N 3.3Å; A198-R200 PolarHBondContact O-N 3.42Å
199	D	93.5	Very high	94.5	Very high	115 Å²	115	39.4 Å²	39.4	62%	0.615	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-20.4	179.5	63	-61.6	0	0	0	113.6	P197	P197-D199 WeakPolarHBondContact CB-OD1 3.32Å; P197-D199 PolarHBondContact O-N 2.89Å; P197-D199 VanDerWaalsContact O-N 3.13Å
200	R	93.8	Very high	94.7	Very high	49 Å²	49	42.4 Å²	42.4	19%	0.185	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-15.9	-178	-61.5	-60.3	-65	154.8	0.6	113.3	K72 P197 A198 G202 S203	K72-R200 PolarHBondContact O-NH2 2.78Å; P197-R200 HydrophobicContact CG-CB 3.92Å; P197-R200 HydrophobicContact CG-CG 3.51Å; P197-R200 PolarHBondContact O-N 3.21Å; A198-R200 VanDerWaalsContact C-N 3.3Å; A198-R200 PolarHBondContact O-N 3.42Å; R200-G202 PolarHBondContact O-N 3.09Å; R200-G202 VanDerWaalsContact O-N 3.11Å; R200-S203 VanDerWaalsContact CA-OG 3.31Å; R200-S203 WeakPolarHBondContact CA-OG 3.44Å; R200-S203 PolarHBondContact NE-OG 3.35Å; R200-S203 PolarHBondContact NH1-OG 3.11Å; R200-S203 WeakPolarHBondContact O-CB 3.48Å; R200-S203 PolarHBondContact O-N 2.9Å; R200-S203 PolarHBondContact O-OG 2.89Å
201	V	95.1	Very high	94.8	Very high	28 Å²	28	47.1 Å²	47.1	17%	0.17	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	116	177.3	-176.8	0	0	0	0	110	M156 V160 S203	M156-V201 HydrophobicContact CB-CG1 3.93Å; M156-V201 HydrophobicContact CB-CG2 4.34Å; M156-V201 HydrophobicContact CE-CG2 4.41Å; V160-V201 HydrophobicContact CG2-CG2 4.17Å; V201-S203 VanDerWaalsContact C-N 3.35Å
202	G	93.9	Very high	94.8	Very high	36 Å²	36	47.2 Å²	47.2	37%	0.371	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.4	2.7	-179.1	0	0	0	0	0	115.8	R200	R200-G202 PolarHBondContact O-N 3.09Å; R200-G202 VanDerWaalsContact O-N 3.11Å
203	S	94.4	Very high	94.8	Very high	52 Å²	52	47.6 Å²	47.6	36%	0.364	28%	0.276	S	S	.	.			trans	-90.3	-11	-178.8	72.4	0	0	0	0	114.8	R200 V201	R200-S203 VanDerWaalsContact CA-OG 3.31Å; R200-S203 WeakPolarHBondContact CA-OG 3.44Å; R200-S203 PolarHBondContact NE-OG 3.35Å; R200-S203 PolarHBondContact NH1-OG 3.11Å; R200-S203 WeakPolarHBondContact O-CB 3.48Å; R200-S203 PolarHBondContact O-N 2.9Å; R200-S203 PolarHBondContact O-OG 2.89Å; V201-S203 VanDerWaalsContact C-N 3.35Å
204	H	95.3	Very high	94.7	Very high	9 Å²	9	47.3 Å²	47.3	4%	0.042	27%	0.274	C	S	.	.			trans	-79.5	134.3	-176.9	-59.1	-67.7	0	0	0	111.4	R74 L79 I209	R74-H204 PolarHBondContact O-CE1 3.45Å; R74-H204 PolarHBondContact O-NE2 3.12Å; L79-H204 HydrophobicContact CD1-CB 4.21Å; H204-I209 HydrophobicContact CB-CD1 4.32Å; H204-I209 HydrophobicContact CB-CG1 4.11Å
205	S	95.4	Very high	94.5	Very high	51 Å²	51	49.9 Å²	49.9	36%	0.357	28%	0.281	S	S	.	.			trans	-75.9	157.4	171.5	73	0	0	0	0	111.5	D207 Q208 I209	S205-D207 PolarHBondContact O-N 3.32Å; S205-Q208 VanDerWaalsContact N-OE1 3.11Å; S205-Q208 WeakPolarHBondContact O-CB 3.38Å; S205-Q208 PolarHBondContact O-N 3.26Å; S205-Q208 VanDerWaalsContact OG-CG 3.3Å; S205-Q208 WeakPolarHBondContact OG-CG 3.26Å; S205-Q208 PolarHBondContact OG-N 3.1Å; S205-I209 VanDerWaalsContact O-CG1 3.31Å; S205-I209 WeakPolarHBondContact O-CG1 3.3Å; S205-I209 PolarHBondContact O-N 3.05Å; S205-I209 VanDerWaalsContact O-N 3.12Å
206	I	95.6	Very high	94.2	Very high	72 Å²	72	48.8 Å²	48.8	37%	0.369	28%	0.276	S	S	.	.	H	α-helix	trans	-59.2	-38.8	176.7	-65.6	171.8	0	0	0	110.8	A145 Q208 I209 N210	A145-I206 HydrophobicContact CB-CD1 4.42Å; I206-Q208 PolarHBondContact O-N 2.85Å; I206-I209 WeakPolarHBondContact O-CB 3.32Å; I206-I209 PolarHBondContact O-N 2.85Å; I206-N210 PolarHBondContact O-N 3.19Å; I206-N210 PolarHBondContact O-ND2 3.33Å
207	D	95.6	Very high	94.1	Very high	124 Å²	124	48.9 Å²	48.9	66%	0.663	28%	0.277	S	S	*	.	H	α-helix	trans	-62.7	-42.2	177.9	-57.1	-36.3	0	0	0	111.9	S205 I209 N210 E211	S205-D207 PolarHBondContact O-N 3.32Å; D207-I209 VanDerWaalsContact C-N 3.3Å; D207-I209 PolarHBondContact O-N 3.12Å; D207-N210 PolarHBondContact O-N 3.44Å; D207-E211 VanDerWaalsContact O-CB 3.26Å; D207-E211 WeakPolarHBondContact O-CB 3.46Å; D207-E211 PolarHBondContact O-N 3.22Å
208	Q	95.5	Very high	94.1	Very high	55 Å²	55	47.1 Å²	47.1	26%	0.257	27%	0.265	S	S	.	.	H	α-helix	trans	-62.4	-39.5	175.7	-73.7	174.2	-24.3	0	0	111.9	I76 S205 I206 Y212	I76-Q208 HydrophobicContact CD1-CB 4.3Å; I76-Q208 VanDerWaalsContact CD1-O 3.31Å; I76-Q208 WeakPolarHBondContact CD1-O 3.43Å; S205-Q208 VanDerWaalsContact N-OE1 3.11Å; S205-Q208 WeakPolarHBondContact O-CB 3.38Å; S205-Q208 PolarHBondContact O-N 3.26Å; S205-Q208 VanDerWaalsContact OG-CG 3.3Å; S205-Q208 WeakPolarHBondContact OG-CG 3.26Å; S205-Q208 PolarHBondContact OG-N 3.1Å; I206-Q208 PolarHBondContact O-N 2.85Å; Q208-Y212 WeakPolarHBondContact O-CB 3.38Å; Q208-Y212 PolarHBondContact O-N 3.41Å
209	I	95.9	Very high	93.9	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.9	-49.3	177.5	-61.5	164	0	0	0	110.2	I76 L79 Y143 L148 H204 S205 I206 D207 Y212 H213	I76-I209 HydrophobicContact CD1-CG1 4.41Å; L79-I209 HydrophobicContact CD1-CD1 3.82Å; L79-I209 HydrophobicContact CD1-CG1 4.14Å; L79-I209 HydrophobicContact CD2-CD1 3.87Å; L79-I209 HydrophobicContact CD2-CG1 3.95Å; L79-I209 HydrophobicContact CD2-CG2 3.84Å; Y143-I209 HydrophobicContact CD1-CG2 3.67Å; Y143-I209 HydrophobicContact CD2-CG2 3.6Å; Y143-I209 HydrophobicContact CE1-CG2 3.53Å; Y143-I209 HydrophobicContact CE2-CG2 3.48Å; Y143-I209 VanDerWaalsContact CE2-CG2 3.48Å; Y143-I209 HydrophobicContact CG-CG2 3.68Å; Y143-I209 VanDerWaalsContact CZ-CG2 3.43Å; L148-I209 HydrophobicContact CD1-CD1 3.85Å; H204-I209 HydrophobicContact CB-CD1 4.32Å; H204-I209 HydrophobicContact CB-CG1 4.11Å; S205-I209 VanDerWaalsContact O-CG1 3.31Å; S205-I209 WeakPolarHBondContact O-CG1 3.3Å; S205-I209 PolarHBondContact O-N 3.05Å; S205-I209 VanDerWaalsContact O-N 3.12Å; I206-I209 WeakPolarHBondContact O-CB 3.32Å; I206-I209 PolarHBondContact O-N 2.85Å; D207-I209 VanDerWaalsContact C-N 3.3Å; D207-I209 PolarHBondContact O-N 3.12Å; I209-Y212 PolarHBondContact O-N 2.87Å; I209-H213 VanDerWaalsContact O-CB 3.24Å; I209-H213 WeakPolarHBondContact O-CB 3.34Å; I209-H213 PolarHBondContact O-N 2.91Å
210	N	94.7	Very high	93.8	Very high	69 Å²	69	44.9 Å²	44.9	37%	0.369	24%	0.24	S	C	.	.	H	α-helix	trans	-63	-42.3	178.1	-72.5	-30.2	0	0	0	112.2	Y143 I206 D207 H213 S214	Y143-N210 VanDerWaalsContact CD2-OD1 3.3Å; Y143-N210 WeakPolarHBondContact CD2-OD1 3.47Å; I206-N210 PolarHBondContact O-N 3.19Å; I206-N210 PolarHBondContact O-ND2 3.33Å; D207-N210 PolarHBondContact O-N 3.44Å; N210-H213 PolarHBondContact O-N 3.28Å; N210-S214 WeakPolarHBondContact O-CB 3.35Å; N210-S214 PolarHBondContact O-N 3.4Å; N210-S214 PolarHBondContact O-OG 3.17Å
211	E	93.5	Very high	93.7	Very high	99 Å²	99	44.3 Å²	44.3	46%	0.463	24%	0.238	S	C	.	.	H	α-helix	trans	-63.7	-44.7	178.1	-172.5	-169.3	169.2	0	0	111.8	D207 S214 R215	D207-E211 VanDerWaalsContact O-CB 3.26Å; D207-E211 WeakPolarHBondContact O-CB 3.46Å; D207-E211 PolarHBondContact O-N 3.22Å; E211-S214 PolarHBondContact O-OG 2.9Å; E211-S214 VanDerWaalsContact O-OG 3.1Å; E211-R215 VanDerWaalsContact O-CG 3.26Å; E211-R215 WeakPolarHBondContact O-CG 3.46Å; E211-R215 PolarHBondContact O-N 2.96Å; E211-R215 IonicContact OE1-CZ 2.7Å; E211-R215 IonicContact OE1-NE 3.33Å; E211-R215 IonicContact OE1-NH2 3.72Å; E211-R215 PolarHBondContact OE1-NH2 3.46Å
212	Y	94.2	Very high	93.7	Very high	4 Å²	4	43 Å²	43	2%	0.016	23%	0.23	C	C	.	.	H	α-helix	trans	-65.9	-43	177	177	-93.3	0	0	0	111.7	S64 G65 E69 I76 S77 V80 Q208 I209	S64-Y212 PolarHBondContact OG-OH 3Å; G65-Y212 PolarHBondContact N-OH 3.07Å; G65-Y212 VanDerWaalsContact N-OH 3.07Å; G65-Y212 PolarHBondContact O-OH 2.95Å; E69-Y212 HydrophobicContact CG-CE2 4.16Å; I76-Y212 HydrophobicContact CD1-CG 4.14Å; I76-Y212 HydrophobicContact CG1-CD1 4.18Å; I76-Y212 HydrophobicContact CG1-CG 4.13Å; I76-Y212 HydrophobicContact CG2-CD1 3.89Å; I76-Y212 HydrophobicContact CG2-CD2 3.51Å; I76-Y212 HydrophobicContact CG2-CE1 4.11Å; I76-Y212 HydrophobicContact CG2-CE2 3.72Å; I76-Y212 HydrophobicContact CG2-CG 3.58Å; S77-Y212 VanDerWaalsContact CB-OH 3.31Å; S77-Y212 WeakPolarHBondContact CB-OH 3.42Å; V80-Y212 HydrophobicContact CG2-CD1 3.77Å; V80-Y212 HydrophobicContact CG2-CE1 4.08Å; Q208-Y212 WeakPolarHBondContact O-CB 3.38Å; Q208-Y212 PolarHBondContact O-N 3.41Å; I209-Y212 PolarHBondContact O-N 2.87Å
213	H	94.3	Very high	93.8	Very high	16 Å²	16	41.2 Å²	41.2	7%	0.074	21%	0.213	C	C	.	.	H	α-helix	trans	-63.7	-46.1	-179.9	178.6	-83.2	0	0	0	111.6	A138 S139 P141 Y143 I209 N210 R215 G216 F217	A138-H213 PolarHBondContact O-CE1 2.81Å; A138-H213 PolarHBondContact O-NE2 2.86Å; S139-H213 PolarHBondContact O-CE1 3.49Å; S139-H213 VanDerWaalsContact O-CE1 3.32Å; P141-H213 VanDerWaalsContact CD-CE1 3.45Å; P141-H213 WeakPolarHBondContact CD-CE1 3.08Å; P141-H213 VanDerWaalsContact CD-NE2 3.32Å; P141-H213 WeakPolarHBondContact CD-NE2 3.44Å; P141-H213 WeakPolarHBondContact CG-NE2 3.37Å; Y143-H213 PolarHBondContact OH-CD2 3.44Å; Y143-H213 VanDerWaalsContact OH-CD2 3.23Å; I209-H213 VanDerWaalsContact O-CB 3.24Å; I209-H213 WeakPolarHBondContact O-CB 3.34Å; I209-H213 PolarHBondContact O-N 2.91Å; N210-H213 PolarHBondContact O-N 3.28Å; H213-R215 VanDerWaalsContact C-N 3.28Å; H213-R215 PolarHBondContact O-N 3.41Å; H213-G216 PolarHBondContact O-N 3.47Å; H213-G216 VanDerWaalsContact O-N 3.12Å; H213-F217 AromaticContact CD2-CE2 3.76Å; H213-F217 AromaticContact CE1-CD2 3.35Å; H213-F217 WeakPolarHBondContact CE1-CD2 3.19Å; H213-F217 AromaticContact CE1-CE2 3.39Å; H213-F217 WeakPolarHBondContact CE1-CE2 3.43Å; H213-F217 AromaticContact ND1-CD2 3.84Å; H213-F217 AromaticContact NE2-CD2 3.6Å; H213-F217 AromaticContact NE2-CE2 3.12Å; H213-F217 WeakPolarHBondContact NE2-CE2 3.3Å; H213-F217 AromaticContact NE2-CZ 3.95Å; H213-F217 WeakPolarHBondContact O-CD2 3.45Å
214	S	92.7	Very high	93.9	Very high	26 Å²	26	38.8 Å²	38.8	18%	0.182	20%	0.195	C	C	.	.	H	α-helix	trans	-63.3	-31.1	-176.8	68.3	0	0	0	0	113.7	N210 E211 G216 F217 N249	N210-S214 WeakPolarHBondContact O-CB 3.35Å; N210-S214 PolarHBondContact O-N 3.4Å; N210-S214 PolarHBondContact O-OG 3.17Å; E211-S214 PolarHBondContact O-OG 2.9Å; E211-S214 VanDerWaalsContact O-OG 3.1Å; S214-G216 VanDerWaalsContact C-N 3.26Å; S214-G216 PolarHBondContact O-N 3.07Å; S214-F217 PolarHBondContact O-N 2.77Å; S214-N249 VanDerWaalsContact CA-ND2 3.34Å; S214-N249 WeakPolarHBondContact CA-ND2 3.45Å; S214-N249 PolarHBondContact O-ND2 3.2Å
215	R	91.8	Very high	93.9	Very high	96 Å²	96	38.3 Å²	38.3	36%	0.362	19%	0.193	S	C	.	.	H	α-helix	trans	-62.5	-28.6	176.1	-71.2	169.2	-174.2	-158.4	2.5	113.9	E211 H213	E211-R215 VanDerWaalsContact O-CG 3.26Å; E211-R215 WeakPolarHBondContact O-CG 3.46Å; E211-R215 PolarHBondContact O-N 2.96Å; E211-R215 IonicContact OE1-CZ 2.7Å; E211-R215 IonicContact OE1-NE 3.33Å; E211-R215 IonicContact OE1-NH2 3.72Å; E211-R215 PolarHBondContact OE1-NH2 3.46Å; H213-R215 VanDerWaalsContact C-N 3.28Å; H213-R215 PolarHBondContact O-N 3.41Å
216	G	90.7	Very high	93.8	Very high	5 Å²	5	35.9 Å²	35.9	5%	0.052	18%	0.176	C	C	.	.	H	α-helix	trans	-80.4	-40.3	-179.3	0	0	0	0	0	112.5	V62 H213 S214 V218 K221	V62-G216 WeakPolarHBondContact CG1-O 3.28Å; H213-G216 PolarHBondContact O-N 3.47Å; H213-G216 VanDerWaalsContact O-N 3.12Å; S214-G216 VanDerWaalsContact C-N 3.26Å; S214-G216 PolarHBondContact O-N 3.07Å; G216-V218 PolarHBondContact O-N 3.32Å; G216-K221 WeakPolarHBondContact O-CB 3.36Å
217	F	93.3	Very high	93.6	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.018	16%	0.159	C	C	.	.			trans	-81.9	57.4	-177.2	-71.8	-86.8	0	0	0	112.5	L60 V62 Y118 A138 S139 H213 S214 I246 L248 N249	L60-F217 HydrophobicContact CD2-CE1 4.1Å; V62-F217 HydrophobicContact CG2-CE1 4.11Å; V62-F217 HydrophobicContact CG2-CZ 4.19Å; Y118-F217 HydrophobicContact CE2-CZ 4.15Å; A138-F217 HydrophobicContact CB-CE1 4.2Å; A138-F217 HydrophobicContact CB-CZ 3.97Å; A138-F217 VanDerWaalsContact O-CE2 3.27Å; A138-F217 WeakPolarHBondContact O-CE2 3.22Å; A138-F217 WeakPolarHBondContact O-CZ 3.44Å; S139-F217 VanDerWaalsContact CA-CE1 3.49Å; H213-F217 AromaticContact CD2-CE2 3.76Å; H213-F217 AromaticContact CE1-CD2 3.35Å; H213-F217 WeakPolarHBondContact CE1-CD2 3.19Å; H213-F217 AromaticContact CE1-CE2 3.39Å; H213-F217 WeakPolarHBondContact CE1-CE2 3.43Å; H213-F217 AromaticContact ND1-CD2 3.84Å; H213-F217 AromaticContact NE2-CD2 3.6Å; H213-F217 AromaticContact NE2-CE2 3.12Å; H213-F217 WeakPolarHBondContact NE2-CE2 3.3Å; H213-F217 AromaticContact NE2-CZ 3.95Å; H213-F217 WeakPolarHBondContact O-CD2 3.45Å; S214-F217 PolarHBondContact O-N 2.77Å; F217-I246 HydrophobicContact CD1-CG2 4.4Å; F217-L248 WeakPolarHBondContact O-CA 3.4Å; F217-N249 PolarHBondContact O-N 2.9Å
218	V	92.5	Very high	93.4	Very high	11 Å²	11	27 Å²	27	7%	0.067	13%	0.129	C	C	.	.			trans	-107.9	139.9	167.1	178.6	0	0	0	0	107.2	G216 E220 K221 C222 A251	G216-V218 PolarHBondContact O-N 3.32Å; V218-E220 VanDerWaalsContact C-N 3.34Å; V218-E220 PolarHBondContact O-N 3.26Å; V218-K221 HydrophobicContact CB-CD 4.37Å; V218-K221 HydrophobicContact CB-CG 4.41Å; V218-K221 WeakPolarHBondContact O-CA 3.4Å; V218-K221 WeakPolarHBondContact O-CB 3.33Å; V218-K221 PolarHBondContact O-N 2.91Å; V218-C222 PolarHBondContact O-N 3.03Å; V218-C222 PolarHBondContact O-SG 3.43Å; V218-A251 HydrophobicContact CG1-CB 4.25Å
219	G	90.7	Very high	92.9	Very high	3 Å²	3	24.9 Å²	24.9	3%	0.031	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-55.6	-43.8	-169.6	0	0	0	0	0	114.2	E39 G40 I41 K221 C222	E39-G219 WeakPolarHBondContact O-CA 3.34Å; G40-G219 CarbonylContact C-O 3.49Å; G40-G219 CarbonylContact O-C 3.54Å; I41-G219 VanDerWaalsContact CA-O 3.32Å; I41-G219 WeakPolarHBondContact CA-O 3.26Å; I41-G219 PolarHBondContact N-O 3.37Å; G219-K221 PolarHBondContact O-N 3.49Å; G219-K221 VanDerWaalsContact O-N 3.16Å; G219-C222 PolarHBondContact O-N 3.48Å
220	E	90.6	Very high	92.1	Very high	134 Å²	134	28.6 Å²	28.6	63%	0.626	14%	0.14	S	C	*	.	G	3₁₀ helix	trans	-63.9	-19.4	177.8	-61.4	179.9	174.3	0	0	114.4	V218	V218-E220 VanDerWaalsContact C-N 3.34Å; V218-E220 PolarHBondContact O-N 3.26Å
221	K	92.4	Very high	91.2	Very high	36 Å²	36	27.9 Å²	27.9	16%	0.157	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-94.1	-1.1	178.5	-66.2	-173.6	176.5	-177.1	0	112.9	V62 K63 G216 V218 G219 E254	V62-K221 CarbonylContact C-O 3.55Å; V62-K221 WeakPolarHBondContact CA-O 3.39Å; K63-K221 HydrophobicContact CB-CB 4.01Å; K63-K221 HydrophobicContact CB-CD 4.47Å; K63-K221 HydrophobicContact CB-CG 4.25Å; K63-K221 HydrophobicContact CD-CB 4.44Å; K63-K221 HydrophobicContact CD-CG 4.3Å; K63-K221 HydrophobicContact CG-CB 4.33Å; K63-K221 PolarHBondContact N-O 2.94Å; G216-K221 WeakPolarHBondContact O-CB 3.36Å; V218-K221 HydrophobicContact CB-CD 4.37Å; V218-K221 HydrophobicContact CB-CG 4.41Å; V218-K221 WeakPolarHBondContact O-CA 3.4Å; V218-K221 WeakPolarHBondContact O-CB 3.33Å; V218-K221 PolarHBondContact O-N 2.91Å; G219-K221 PolarHBondContact O-N 3.49Å; G219-K221 VanDerWaalsContact O-N 3.16Å; K221-E254 WeakPolarHBondContact CE-OE1 3Å; K221-E254 IonicContact NZ-OE1 2.89Å; K221-E254 PolarHBondContact NZ-OE1 2.9Å
222	C	95.3	Very high	90.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	132.2	-175.6	-62.7	0	0	0	0	111.1	I41 K42 L60 V61 V218 G219	I41-C222 HydrophobicContact CG1-CB 4.26Å; I41-C222 HydrophobicContact CG2-CB 4.3Å; K42-C222 PolarHBondContact N-O 3.19Å; K42-C222 VanDerWaalsContact N-O 3.1Å; L60-C222 HydrophobicContact CD1-CB 4.49Å; V61-C222 WeakPolarHBondContact O-CA 3.43Å; V218-C222 PolarHBondContact O-N 3.03Å; V218-C222 PolarHBondContact O-SG 3.43Å; G219-C222 PolarHBondContact O-N 3.48Å
223	A	94.9	Very high	89.7	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	128.2	168.2	0	0	0	0	0	109.5	K42 L60 V61 L406	K42-A223 HydrophobicContact CB-CB 4.22Å; K42-A223 CarbonylContact O-C 3.54Å; K42-A223 VanDerWaalsContact O-CA 3.26Å; K42-A223 WeakPolarHBondContact O-CA 3.31Å; L60-A223 WeakPolarHBondContact CA-O 3.37Å; V61-A223 HydrophobicContact CB-CB 4.49Å; V61-A223 PolarHBondContact N-O 3.33Å; V61-A223 PolarHBondContact O-N 3.36Å; A223-L406 HydrophobicContact CB-CD1 3.93Å; A223-L406 HydrophobicContact CB-CD2 4.14Å; A223-L406 HydrophobicContact CB-CG 3.91Å
224	L	96.4	Very high	89.1	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	118.7	178.6	-178.2	69	0	0	0	109.5	I41 K42 L43 V44 I58 L60 L239 V242 K243 I246	I41-L224 HydrophobicContact CG2-CB 4.22Å; K42-L224 PolarHBondContact O-N 3.09Å; L43-L224 CarbonylContact C-O 3.59Å; L43-L224 VanDerWaalsContact CA-O 3.31Å; L43-L224 WeakPolarHBondContact CA-O 3.28Å; L43-L224 HydrophobicContact CD2-CB 3.91Å; L43-L224 HydrophobicContact CD2-CD2 4.15Å; L43-L224 HydrophobicContact CD2-CG 4.49Å; V44-L224 PolarHBondContact N-O 3.41Å; I58-L224 HydrophobicContact CG2-CD1 3.94Å; L60-L224 HydrophobicContact CB-CD1 4.1Å; L60-L224 HydrophobicContact CD1-CB 4.31Å; L60-L224 HydrophobicContact CD1-CD1 4.19Å; L224-L239 HydrophobicContact CD2-CB 4.5Å; L224-L239 HydrophobicContact CD2-CD2 3.79Å; L224-L239 HydrophobicContact CG-CD2 3.71Å; L224-V242 HydrophobicContact CD2-CB 4.42Å; L224-V242 HydrophobicContact CD2-CG1 4.01Å; L224-K243 HydrophobicContact CD2-CB 4.4Å; L224-I246 HydrophobicContact CD2-CD1 4.17Å
225	G	95	Very high	88.8	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	146.3	-175.6	0	0	0	0	0	113	V44 I58 A59	V44-G225 CarbonylContact O-C 3.58Å; V44-G225 WeakPolarHBondContact O-CA 3.15Å; I58-G225 CarbonylContact C-O 3.37Å; I58-G225 VanDerWaalsContact CA-O 3.31Å; I58-G225 WeakPolarHBondContact CA-O 3.41Å; A59-G225 PolarHBondContact N-O 3.46Å; A59-G225 PolarHBondContact O-N 2.84Å
226	I	94.7	Very high	88.8	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	142.7	168.9	-167.9	164.9	0	0	0	111.4	V44 L46 T56 R57 I58 I238 L239	V44-I226 PolarHBondContact O-N 3.02Å; L46-I226 PolarHBondContact N-O 2.75Å; T56-I226 HydrophobicContact CG2-CD1 3.83Å; T56-I226 HydrophobicContact CG2-CG1 3.85Å; R57-I226 CarbonylContact O-C 3.59Å; R57-I226 WeakPolarHBondContact O-CA 3.38Å; I58-I226 HydrophobicContact CD1-CD1 4.27Å; I58-I226 HydrophobicContact CG1-CB 4.39Å; I58-I226 HydrophobicContact CG1-CD1 4Å; I58-I226 HydrophobicContact CG1-CG1 3.87Å; I226-I238 HydrophobicContact CD1-CB 3.93Å; I226-I238 HydrophobicContact CD1-CD1 4.11Å; I226-I238 HydrophobicContact CD1-CG2 3.68Å; I226-L239 HydrophobicContact CB-CD1 4.27Å; I226-L239 HydrophobicContact CB-CD2 3.69Å; I226-L239 HydrophobicContact CB-CG 3.95Å; I226-L239 HydrophobicContact CG2-CD1 3.72Å; I226-L239 HydrophobicContact CG2-CD2 3.97Å; I226-L239 HydrophobicContact CG2-CG 3.61Å
227	I	91.7	Very high	88.8	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	117.1	162.4	-61.2	146.2	0	0	0	106.9	L46 Q48 T56 R57 P394 L398	L46-I227 HydrophobicContact CB-CG1 3.95Å; L46-I227 HydrophobicContact CD1-CG1 4.14Å; L46-I227 WeakPolarHBondContact O-CA 3.49Å; Q48-I227 HydrophobicContact CB-CG2 3.7Å; Q48-I227 HydrophobicContact CG-CG2 4.36Å; T56-I227 WeakPolarHBondContact CA-O 3.24Å; T56-I227 WeakPolarHBondContact CG2-O 3.34Å; R57-I227 HydrophobicContact CB-CB 4.25Å; R57-I227 HydrophobicContact CB-CD1 3.99Å; R57-I227 PolarHBondContact N-O 2.76Å; R57-I227 PolarHBondContact O-N 2.82Å; I227-P394 HydrophobicContact CD1-CB 3.86Å; I227-P394 HydrophobicContact CD1-CG 4.44Å; I227-P394 WeakPolarHBondContact CD1-O 3.4Å; I227-P394 HydrophobicContact CG1-CB 4.45Å; I227-P394 HydrophobicContact CG2-CB 4.28Å; I227-L398 HydrophobicContact CD1-CB 3.75Å; I227-L398 HydrophobicContact CD1-CD2 3.84Å; I227-L398 HydrophobicContact CD1-CG 4.33Å; I227-L398 HydrophobicContact CG1-CB 4.17Å; I227-L398 HydrophobicContact CG1-CD1 4.37Å; I227-L398 HydrophobicContact CG1-CD2 4.06Å; I227-L398 HydrophobicContact CG1-CG 4.45Å
228	H	89.6	Confident	88.8	Confident	7 Å²	7	36.1 Å²	36.1	3%	0.032	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	132.7	179.7	-161.8	-81.1	0	0	0	110.3	L46 Q48 T56 N230	L46-H228 PolarHBondContact O-N 2.87Å; Q48-H228 PolarHBondContact N-O 3.19Å; T56-H228 PolarHBondContact OG1-CD2 3.36Å; T56-H228 PolarHBondContact OG1-NE2 3.44Å; H228-N230 PolarHBondContact ND1-N 3.45Å; H228-N230 VanDerWaalsContact ND1-N 3.13Å; H228-N230 PolarHBondContact ND1-O 3.32Å
229	P	85.5	Confident	88.8	Confident	12 Å²	12	35.6 Å²	35.6	8%	0.078	19%	0.186	C	C	.	.	S	Bend	trans	-73.3	-27.5	-177.6	28.7	-35.9	0	0	0	114	G54 T56 P124	G54-P229 WeakPolarHBondContact O-CG 3.31Å; T56-P229 VanDerWaalsContact OG1-CD 3.31Å; T56-P229 WeakPolarHBondContact OG1-CD 3.49Å; P124-P229 HydrophobicContact CB-CG 4.23Å; P124-P229 HydrophobicContact CG-CG 3.48Å; P124-P229 VanDerWaalsContact CG-CG 3.48Å
230	N	80.7	Confident	89	Confident	77 Å²	77	41.7 Å²	41.7	41%	0.412	21%	0.211	S	C	.	.			trans	-88.1	119.6	179.1	-55.8	-5.8	0	0	0	109.6	H228 D232 I233	H228-N230 PolarHBondContact ND1-N 3.45Å; H228-N230 VanDerWaalsContact ND1-N 3.13Å; H228-N230 PolarHBondContact ND1-O 3.32Å; N230-D232 PolarHBondContact O-N 3.27Å; N230-I233 HydrophobicContact CB-CB 4.33Å; N230-I233 HydrophobicContact CB-CD1 4.13Å; N230-I233 HydrophobicContact CB-CG1 4.07Å
231	S	74.1	Confident	89.1	Confident	55 Å²	55	41.7 Å²	41.7	39%	0.385	21%	0.209	S	C	.	.	S	Bend	trans	-66	-26.5	175.8	50.7	0	0	0	0	113.6	K30	K30-S231 WeakPolarHBondContact CE-O 3.46Å; K30-S231 PolarHBondContact NZ-O 3.1Å
232	D	77.4	Confident	89.1	Confident	147 Å²	147	40 Å²	40	79%	0.786	20%	0.202	S	C	*	.	S	Bend	trans	-76.7	-29.1	-175.6	-57.5	-21.2	0	0	0	111.7	N230	N230-D232 PolarHBondContact O-N 3.27Å
233	I	79	Confident	89	Confident	74 Å²	74	41.5 Å²	41.5	38%	0.379	21%	0.208	S	C	.	.	S	Bend	trans	-82.2	126.5	177.4	-61.4	-177.1	0	0	0	108.6	N230 G235 I238	N230-I233 HydrophobicContact CB-CB 4.33Å; N230-I233 HydrophobicContact CB-CD1 4.13Å; N230-I233 HydrophobicContact CB-CG1 4.07Å; I233-G235 PolarHBondContact O-N 3.29Å; I233-I238 HydrophobicContact CG2-CD1 3.9Å
234	D	82.3	Confident	88.9	Confident	63 Å²	63	45.9 Å²	45.9	34%	0.337	24%	0.239	S	C	.	.			trans	-75.7	106	171.9	-174	7.7	0	0	0	110.1	M236 E237	D234-M236 PolarHBondContact O-N 3.45Å; D234-M236 VanDerWaalsContact O-N 3.13Å; D234-M236 VanDerWaalsContact OD1-CB 3.26Å; D234-M236 WeakPolarHBondContact OD1-CB 3.46Å; D234-M236 WeakPolarHBondContact OD1-CG 3.44Å; D234-M236 PolarHBondContact OD1-N 3.23Å; D234-E237 HydrophobicContact CB-CG 4.03Å; D234-E237 PolarHBondContact O-N 2.88Å
235	G	87.2	Confident	88.6	Confident	2 Å²	2	46 Å²	46	2%	0.021	24%	0.24	C	C	.	.	H	α-helix	trans	-54.4	-28.9	173.8	0	0	0	0	0	112.6	I233 E237 I238 L239	I233-G235 PolarHBondContact O-N 3.29Å; G235-E237 VanDerWaalsContact C-N 3.33Å; G235-E237 PolarHBondContact O-N 2.92Å; G235-I238 PolarHBondContact O-N 3.36Å; G235-L239 WeakPolarHBondContact O-CG 3.48Å; G235-L239 PolarHBondContact O-N 3.03Å
236	M	90.4	Very high	88.5	Confident	11 Å²	11	46.6 Å²	46.6	5%	0.054	24%	0.243	C	C	.	.	H	α-helix	trans	-66.5	-32.7	178.5	-62.6	-62.7	-68.1	0	0	112.7	T35 L43 S45 D234 L239 K240	T35-M236 WeakPolarHBondContact OG1-CE 3.41Å; L43-M236 HydrophobicContact CB-CE 3.75Å; L43-M236 HydrophobicContact CB-SD 4.47Å; L43-M236 HydrophobicContact CD1-CE 4.25Å; S45-M236 VanDerWaalsContact CB-SD 3.5Å; D234-M236 PolarHBondContact O-N 3.45Å; D234-M236 VanDerWaalsContact O-N 3.13Å; D234-M236 VanDerWaalsContact OD1-CB 3.26Å; D234-M236 WeakPolarHBondContact OD1-CB 3.46Å; D234-M236 WeakPolarHBondContact OD1-CG 3.44Å; D234-M236 PolarHBondContact OD1-N 3.23Å; M236-L239 PolarHBondContact O-N 3.27Å; M236-L239 HydrophobicContact SD-CD1 4.21Å; M236-K240 VanDerWaalsContact O-CG 3.29Å; M236-K240 WeakPolarHBondContact O-CG 3.36Å; M236-K240 PolarHBondContact O-N 2.94Å
237	E	91.3	Very high	88.3	Confident	111 Å²	111	50.9 Å²	50.9	52%	0.519	26%	0.262	S	S	.	.	H	α-helix	trans	-66.9	-39.8	174.9	-68.7	-172.9	168.3	0	0	111.7	D234 G235 K240 K241	D234-E237 HydrophobicContact CB-CG 4.03Å; D234-E237 PolarHBondContact O-N 2.88Å; G235-E237 VanDerWaalsContact C-N 3.33Å; G235-E237 PolarHBondContact O-N 2.92Å; E237-K240 PolarHBondContact O-N 3.12Å; E237-K241 WeakPolarHBondContact O-CG 3.24Å; E237-K241 PolarHBondContact O-N 3.34Å
238	I	92.5	Very high	88.3	Confident	15 Å²	15	53.3 Å²	53.3	8%	0.077	28%	0.275	C	S	.	.	H	α-helix	trans	-63	-46.4	174.1	-62.3	173.3	0	0	0	109.3	A127 I226 I233 G235 K240 K241 V242	A127-I238 HydrophobicContact CB-CD1 4.27Å; A127-I238 HydrophobicContact CB-CG2 4.36Å; I226-I238 HydrophobicContact CD1-CB 3.93Å; I226-I238 HydrophobicContact CD1-CD1 4.11Å; I226-I238 HydrophobicContact CD1-CG2 3.68Å; I233-I238 HydrophobicContact CG2-CD1 3.9Å; G235-I238 PolarHBondContact O-N 3.36Å; I238-K240 VanDerWaalsContact C-N 3.34Å; I238-K240 PolarHBondContact O-N 3.2Å; I238-K241 PolarHBondContact O-N 2.96Å; I238-V242 HydrophobicContact CG2-CG2 4.15Å; I238-V242 WeakPolarHBondContact O-CG2 3.45Å; I238-V242 PolarHBondContact O-N 2.9Å
239	L	94.1	Very high	88.3	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-60.5	-41.5	178	-72	-171.4	0	0	0	112.6	L43 V44 L224 I226 G235 M236 K241 V242 K243	L43-L239 HydrophobicContact CB-CD1 4.16Å; L43-L239 HydrophobicContact CD2-CB 4.47Å; V44-L239 WeakPolarHBondContact O-CD1 3.31Å; L224-L239 HydrophobicContact CD2-CB 4.5Å; L224-L239 HydrophobicContact CD2-CD2 3.79Å; L224-L239 HydrophobicContact CG-CD2 3.71Å; I226-L239 HydrophobicContact CB-CD1 4.27Å; I226-L239 HydrophobicContact CB-CD2 3.69Å; I226-L239 HydrophobicContact CB-CG 3.95Å; I226-L239 HydrophobicContact CG2-CD1 3.72Å; I226-L239 HydrophobicContact CG2-CD2 3.97Å; I226-L239 HydrophobicContact CG2-CG 3.61Å; G235-L239 WeakPolarHBondContact O-CG 3.48Å; G235-L239 PolarHBondContact O-N 3.03Å; M236-L239 PolarHBondContact O-N 3.27Å; M236-L239 HydrophobicContact SD-CD1 4.21Å; L239-K241 VanDerWaalsContact C-N 3.3Å; L239-K241 PolarHBondContact O-N 3.34Å; L239-V242 PolarHBondContact O-N 2.93Å; L239-K243 WeakPolarHBondContact O-CB 3.49Å; L239-K243 PolarHBondContact O-N 3.08Å
240	K	92.9	Very high	88.3	Confident	131 Å²	131	59.9 Å²	59.9	57%	0.57	32%	0.315	S	S	*	.	H	α-helix	trans	-59.7	-40.5	175.8	-74.8	170	-176.1	174.1	0	111.9	M236 E237 I238	M236-K240 VanDerWaalsContact O-CG 3.29Å; M236-K240 WeakPolarHBondContact O-CG 3.36Å; M236-K240 PolarHBondContact O-N 2.94Å; E237-K240 PolarHBondContact O-N 3.12Å; I238-K240 VanDerWaalsContact C-N 3.34Å; I238-K240 PolarHBondContact O-N 3.2Å
241	K	92.7	Very high	88.1	Confident	133 Å²	133	60 Å²	60	58%	0.578	33%	0.328	S	S	*	.	H	α-helix	trans	-69.8	-39	175.3	-68.8	175.1	-175.6	173.6	0	112.6	E237 I238 L239 S244	E237-K241 WeakPolarHBondContact O-CG 3.24Å; E237-K241 PolarHBondContact O-N 3.34Å; I238-K241 PolarHBondContact O-N 2.96Å; L239-K241 VanDerWaalsContact C-N 3.3Å; L239-K241 PolarHBondContact O-N 3.34Å; K241-S244 PolarHBondContact O-OG 2.92Å
242	V	94	Very high	87.9	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-70.7	-39.6	179	169	0	0	0	0	110.8	G131 C135 L224 I238 L239 S244 S245	G131-V242 WeakPolarHBondContact O-CG1 3.26Å; C135-V242 HydrophobicContact CB-CG1 4.21Å; C135-V242 VanDerWaalsContact SG-CG1 3.52Å; L224-V242 HydrophobicContact CD2-CB 4.42Å; L224-V242 HydrophobicContact CD2-CG1 4.01Å; I238-V242 HydrophobicContact CG2-CG2 4.15Å; I238-V242 WeakPolarHBondContact O-CG2 3.45Å; I238-V242 PolarHBondContact O-N 2.9Å; L239-V242 PolarHBondContact O-N 2.93Å; V242-S244 PolarHBondContact O-N 3.37Å; V242-S244 VanDerWaalsContact O-N 3.16Å; V242-S245 WeakPolarHBondContact O-CB 3.41Å; V242-S245 PolarHBondContact O-N 3Å; V242-S245 PolarHBondContact O-OG 3.39Å
243	K	93.5	Very high	87.1	Confident	33 Å²	33	64.5 Å²	64.5	14%	0.143	34%	0.338	C	S	.	.	H	α-helix	trans	-54.7	-35	-179.3	-179.7	-166.5	154.8	-128.6	0	112.8	S37 E39 I41 L224 L239 S245 I246	S37-K243 WeakPolarHBondContact OG-CE 3.11Å; E39-K243 IonicContact OE1-NZ 3.82Å; E39-K243 PolarHBondContact OE1-NZ 2.98Å; E39-K243 WeakPolarHBondContact OE2-CE 3.31Å; E39-K243 IonicContact OE2-NZ 3.82Å; E39-K243 PolarHBondContact OE2-NZ 3.13Å; I41-K243 HydrophobicContact CD1-CD 4.36Å; I41-K243 HydrophobicContact CD1-CG 3.84Å; L224-K243 HydrophobicContact CD2-CB 4.4Å; L239-K243 WeakPolarHBondContact O-CB 3.49Å; L239-K243 PolarHBondContact O-N 3.08Å; K243-S245 PolarHBondContact O-N 3.32Å; K243-S245 VanDerWaalsContact O-N 3.07Å; K243-I246 WeakPolarHBondContact O-CB 3.26Å; K243-I246 PolarHBondContact O-N 3.37Å
244	S	91.1	Very high	86.2	Confident	91 Å²	91	67.1 Å²	67.1	64%	0.636	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-14.4	179.7	64.9	0	0	0	0	114.1	K241 V242	K241-S244 PolarHBondContact O-OG 2.92Å; V242-S244 PolarHBondContact O-N 3.37Å; V242-S244 VanDerWaalsContact O-N 3.16Å
245	S	91.5	Very high	84.7	Confident	3 Å²	3	72 Å²	72	2%	0.021	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-5.1	174.4	69.3	0	0	0	0	114.5	F132 C135 S139 V242 K243 H247	F132-S245 VanDerWaalsContact CD2-CB 3.44Å; F132-S245 VanDerWaalsContact CE2-CB 3.47Å; F132-S245 PolarHBondContact O-OG 2.97Å; C135-S245 WeakPolarHBondContact CB-OG 3.13Å; S139-S245 PolarHBondContact OG-O 3.02Å; V242-S245 WeakPolarHBondContact O-CB 3.41Å; V242-S245 PolarHBondContact O-N 3Å; V242-S245 PolarHBondContact O-OG 3.39Å; K243-S245 PolarHBondContact O-N 3.32Å; K243-S245 VanDerWaalsContact O-N 3.07Å; S245-H247 PolarHBondContact O-N 3.43Å
246	I	92.8	Very high	82.9	Confident	13 Å²	13	74.8 Å²	74.8	7%	0.067	40%	0.401	C	S	.	.			trans	-85.7	110.5	177.1	-57.9	172.4	0	0	0	107.8	I41 L60 C135 F217 L224 K243 L248	I41-I246 HydrophobicContact CD1-CB 4.4Å; I41-I246 HydrophobicContact CD1-CD1 3.94Å; I41-I246 HydrophobicContact CD1-CG2 4.3Å; L60-I246 HydrophobicContact CD1-CD1 4.12Å; C135-I246 HydrophobicContact CB-CD1 4.39Å; C135-I246 HydrophobicContact CB-CG1 3.59Å; F217-I246 HydrophobicContact CD1-CG2 4.4Å; L224-I246 HydrophobicContact CD2-CD1 4.17Å; K243-I246 WeakPolarHBondContact O-CB 3.26Å; K243-I246 PolarHBondContact O-N 3.37Å; I246-L248 HydrophobicContact CG2-CD2 3.65Å; I246-L248 HydrophobicContact CG2-CG 4.09Å; I246-L248 PolarHBondContact O-N 2.95Å
247	H	90.8	Very high	80.9	Confident	89 Å²	89	77.7 Å²	77.7	41%	0.412	42%	0.423	S	S	.	.			trans	-78.5	111.7	169.9	-59.5	114.9	0	0	0	109.3	S139 S140 S245	S139-H247 PolarHBondContact OG-N 2.95Å; S140-H247 WeakPolarHBondContact OG-CB 3.49Å; S140-H247 PolarHBondContact OG-ND1 3.42Å; S245-H247 PolarHBondContact O-N 3.43Å
248	L	91.6	Very high	79	Confident	53 Å²	53	74.9 Å²	74.9	28%	0.277	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-97.6	144.1	178.4	-64.6	176.5	0	0	0	110.9	E39 I41 F217 I246	E39-L248 HydrophobicContact CB-CD1 3.55Å; E39-L248 HydrophobicContact CG-CD1 4.32Å; I41-L248 HydrophobicContact CD1-CD1 3.74Å; I41-L248 HydrophobicContact CD1-CD2 4.09Å; I41-L248 HydrophobicContact CD1-CG 4.2Å; I41-L248 HydrophobicContact CG1-CD1 3.91Å; I41-L248 HydrophobicContact CG1-CD2 4.27Å; F217-L248 WeakPolarHBondContact O-CA 3.4Å; I246-L248 HydrophobicContact CG2-CD2 3.65Å; I246-L248 HydrophobicContact CG2-CG 4.09Å; I246-L248 PolarHBondContact O-N 2.95Å
249	N	89.3	Confident	77.2	Confident	56 Å²	56	77.5 Å²	77.5	30%	0.299	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-92.6	154.7	170.5	-62.6	-68.5	0	0	0	110.2	S214 F217	S214-N249 VanDerWaalsContact CA-ND2 3.34Å; S214-N249 WeakPolarHBondContact CA-ND2 3.45Å; S214-N249 PolarHBondContact O-ND2 3.2Å; F217-N249 PolarHBondContact O-N 2.9Å
250	P	85.9	Confident	75.6	Confident	100 Å²	100	82.4 Å²	82.4	65%	0.649	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-58.1	153.1	171.6	26.2	-34.7	0	0	0	110.7	H252	P250-H252 PolarHBondContact O-CE1 3.46Å; P250-H252 PolarHBondContact O-N 2.98Å; P250-H252 PolarHBondContact O-ND1 2.93Å
251	A	76.6	Confident	75	Confident	81 Å²	81	77.4 Å²	77.4	67%	0.669	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-58.8	123.7	174	0	0	0	0	0	109.7	V218	V218-A251 HydrophobicContact CG1-CB 4.25Å
252	H	69.3	Low	74.9	Confident	101 Å²	101	72.4 Å²	72.4	47%	0.468	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-91.3	140.5	173.4	-68.1	68.4	0	0	0	108.6	P250 E254	P250-H252 PolarHBondContact O-CE1 3.46Å; P250-H252 PolarHBondContact O-N 2.98Å; P250-H252 PolarHBondContact O-ND1 2.93Å; H252-E254 PolarHBondContact O-N 3.35Å
253	Q	59.6	Low	74.8	Confident	195 Å²	195	76.2 Å²	76.2	91%	0.911	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-62.5	119.1	166.7	-79.7	-176.8	-7.6	0	0	108.5	I255	Q253-I255 PolarHBondContact O-N 2.88Å
254	E	60.5	Low	74.7	Confident	128 Å²	128	75.5 Å²	75.5	60%	0.598	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-68	130.6	171.4	-64.8	-164.5	158.9	0	0	108.9	K221 H252 G256	K221-E254 WeakPolarHBondContact CE-OE1 3Å; K221-E254 IonicContact NZ-OE1 2.89Å; K221-E254 PolarHBondContact NZ-OE1 2.9Å; H252-E254 PolarHBondContact O-N 3.35Å; E254-G256 PolarHBondContact O-N 2.85Å
255	I	51.8	Low	74.9	Confident	165 Å²	165	72.5 Å²	72.5	85%	0.846	45%	0.45	S	S	*	.			trans	-63.9	109	158.8	-57.7	169.7	0	0	0	103.9	Q253 S257	Q253-I255 PolarHBondContact O-N 2.88Å; I255-S257 PolarHBondContact O-N 2.56Å
256	G	48.9	Very low	75.1	Confident	61 Å²	61	75.9 Å²	75.9	63%	0.629	47%	0.465	S	S	*	.			trans	-47	122.9	-179.5	0	0	0	0	0	109	E254 G258	E254-G256 PolarHBondContact O-N 2.85Å; G256-G258 PolarHBondContact O-N 3.1Å
257	S	49.1	Very low	75.3	Confident	73 Å²	73	77.2 Å²	77.2	51%	0.51	47%	0.472	S	S	.	.			trans	-61.9	85.4	169.9	172	0	0	0	0	106.6	I255 G259	I255-S257 PolarHBondContact O-N 2.56Å; S257-G259 PolarHBondContact O-N 2.9Å
258	G	50	Low	75.6	Confident	51 Å²	51	76.8 Å²	76.8	53%	0.526	47%	0.467	S	S	.	.			trans	-55.2	105.9	174.7	0	0	0	0	0	107.1	G256 H260	G256-G258 PolarHBondContact O-N 3.1Å; G258-H260 PolarHBondContact O-N 3.47Å
259	G	55.6	Low	75.7	Confident	71 Å²	71	80.2 Å²	80.2	73%	0.732	48%	0.476	S	S	*	.			trans	-67.3	86.5	-158.7	0	0	0	0	0	114.4	S257 G261	S257-G259 PolarHBondContact O-N 2.9Å; G259-G261 PolarHBondContact O-N 3.21Å
260	H	59.3	Low	75.9	Confident	103 Å²	103	81.7 Å²	81.7	48%	0.477	48%	0.484	S	S	.	.	B	Isolated β-bridge	trans	-76.6	107.7	149.9	-73.4	-95.1	0	0	0	107.7	S186 C188 G258	S186-H260 WeakPolarHBondContact CB-CD2 3.11Å; S186-H260 WeakPolarHBondContact O-CB 3.36Å; S186-H260 PolarHBondContact O-CD2 2.78Å; S186-H260 PolarHBondContact OG-CD2 3.26Å; S186-H260 PolarHBondContact OG-NE2 2.97Å; C188-H260 WeakPolarHBondContact CB-O 3.29Å; C188-H260 PolarHBondContact N-O 3.36Å; G258-H260 PolarHBondContact O-N 3.47Å
261	G	80.6	Confident	76.3	Confident	25 Å²	25	79 Å²	79	26%	0.258	46%	0.464	S	S	.	.			trans	-78.1	-137.3	177.6	0	0	0	0	0	112.4	G259 V263 H340	G259-G261 PolarHBondContact O-N 3.21Å; G261-V263 PolarHBondContact O-N 2.73Å; G261-H340 VanDerWaalsContact CA-NE2 3.3Å; G261-H340 WeakPolarHBondContact CA-NE2 3.31Å
262	F	90.5	Very high	76.8	Confident	28 Å²	28	81.2 Å²	81.2	12%	0.123	46%	0.464	C	S	.	.			trans	-67.1	122.5	175	-173.8	-91.6	0	0	0	111.1	A180 F181 G264 P284 L342 Q443 A445	A180-F262 HydrophobicContact CB-CD2 4.06Å; A180-F262 HydrophobicContact CB-CE2 3.62Å; A180-F262 HydrophobicContact CB-CZ 4.47Å; F181-F262 HydrophobicContact CE1-CD2 4.37Å; F262-G264 VanDerWaalsContact CE1-CA 3.49Å; F262-P284 HydrophobicContact CB-CB 3.87Å; F262-P284 HydrophobicContact CB-CG 4.18Å; F262-P284 HydrophobicContact CD1-CB 4.15Å; F262-P284 HydrophobicContact CD1-CG 3.64Å; F262-P284 HydrophobicContact CD2-CB 3.76Å; F262-P284 HydrophobicContact CD2-CG 4.09Å; F262-P284 HydrophobicContact CE1-CG 3.95Å; F262-P284 HydrophobicContact CE2-CB 4.28Å; F262-P284 HydrophobicContact CE2-CG 4.35Å; F262-P284 HydrophobicContact CG-CB 3.66Å; F262-P284 HydrophobicContact CG-CG 3.7Å; F262-P284 HydrophobicContact CZ-CG 4.28Å; F262-L342 HydrophobicContact CD2-CD2 3.81Å; F262-L342 HydrophobicContact CE2-CD2 3.61Å; F262-Q443 HydrophobicContact CD1-CB 4.22Å; F262-Q443 HydrophobicContact CE1-CB 4Å; F262-A445 HydrophobicContact CE2-CB 4.06Å; F262-A445 HydrophobicContact CZ-CB 3.81Å
263	V	91.7	Very high	77.7	Confident	80 Å²	80	81.3 Å²	81.3	49%	0.485	48%	0.482	S	S	.	.			trans	-89.3	-48.9	176.8	-177.1	0	0	0	0	109.9	A180 F181 G261	A180-V263 PolarHBondContact O-N 3.19Å; F181-V263 WeakPolarHBondContact O-CG2 3.34Å; G261-V263 PolarHBondContact O-N 2.73Å
264	G	92.8	Very high	79.2	Confident	18 Å²	18	72.5 Å²	72.5	19%	0.186	44%	0.443	C	S	.	.			trans	73.4	163.8	-170.2	0	0	0	0	0	112.9	A179 A180 F262 A444	A179-G264 CarbonylContact O-C 2.83Å; A179-G264 WeakPolarHBondContact O-CA 3.32Å; A180-G264 PolarHBondContact O-N 3.07Å; A180-G264 VanDerWaalsContact O-N 3.12Å; F262-G264 VanDerWaalsContact CE1-CA 3.49Å; G264-A444 VanDerWaalsContact CA-O 3.28Å; G264-A444 WeakPolarHBondContact CA-O 3.3Å
265	G	94.4	Very high	80.6	Confident	29 Å²	29	71.5 Å²	71.5	30%	0.299	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	150.6	-179.3	-174.7	0	0	0	0	0	112.4	A179 A444 A445 F446	A179-G265 PolarHBondContact O-N 3.3Å; G265-A444 PolarHBondContact N-O 2.95Å; G265-A445 CarbonylContact O-C 3.1Å; G265-A445 WeakPolarHBondContact O-CA 3.49Å; G265-F446 PolarHBondContact O-N 3.3Å
266	E	95.8	Very high	82.6	Confident	74 Å²	74	65.3 Å²	65.3	35%	0.346	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	140	172.6	68.7	166.4	-129.7	0	0	112.3	R268 F446 P458 L459	E266-R268 IonicContact OE1-CZ 3.81Å; E266-R268 IonicContact OE1-NE 2.72Å; E266-R268 PolarHBondContact OE1-NE 3.42Å; E266-R268 IonicContact OE1-NH2 3.63Å; E266-R268 PolarHBondContact OE1-NH2 3.49Å; E266-R268 IonicContact OE2-NH2 3.86Å; E266-R268 PolarHBondContact OE2-NH2 3.31Å; E266-F446 CarbonylContact C-O 3.59Å; E266-F446 WeakPolarHBondContact CA-O 3.12Å; E266-F446 HydrophobicContact CB-CB 4.04Å; E266-F446 HydrophobicContact CB-CD1 4.32Å; E266-P458 WeakPolarHBondContact OE2-CA 3.49Å; E266-L459 HydrophobicContact CB-CB 4.36Å; E266-L459 PolarHBondContact OE2-N 3.04Å
267	I	97	Very high	84.8	Confident	41 Å²	41	62.4 Å²	62.4	21%	0.21	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	127.3	172.8	-62.7	176.4	0	0	0	109.2	L175 E178 A179 F446 S447 L448	L175-I267 HydrophobicContact CB-CB 4.5Å; L175-I267 HydrophobicContact CB-CG2 4.22Å; L175-I267 HydrophobicContact CD1-CG2 4.35Å; L175-I267 HydrophobicContact CD2-CG2 3.99Å; L175-I267 HydrophobicContact CG-CG2 4.41Å; E178-I267 HydrophobicContact CB-CD1 3.72Å; E178-I267 HydrophobicContact CG-CD1 3.58Å; A179-I267 HydrophobicContact CB-CB 4.47Å; A179-I267 HydrophobicContact CB-CD1 3.92Å; A179-I267 HydrophobicContact CB-CG1 3.9Å; I267-F446 PolarHBondContact N-O 3.36Å; I267-S447 VanDerWaalsContact O-CA 3.27Å; I267-S447 WeakPolarHBondContact O-CA 3.41Å; I267-L448 PolarHBondContact O-N 3.14Å
268	R	96.5	Very high	87	Confident	79 Å²	79	61.4 Å²	61.4	30%	0.298	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	128.8	-179.6	-55.3	-172.8	-177.5	-135.9	-10.4	110.1	E266 L448 L453 I456 E457 P458	E266-R268 IonicContact OE1-CZ 3.81Å; E266-R268 IonicContact OE1-NE 2.72Å; E266-R268 PolarHBondContact OE1-NE 3.42Å; E266-R268 IonicContact OE1-NH2 3.63Å; E266-R268 PolarHBondContact OE1-NH2 3.49Å; E266-R268 IonicContact OE2-NH2 3.86Å; E266-R268 PolarHBondContact OE2-NH2 3.31Å; R268-L448 HydrophobicContact CG-CB 4.29Å; R268-L448 HydrophobicContact CG-CD1 4.14Å; R268-L453 HydrophobicContact CB-CD1 4.09Å; R268-L453 PolarHBondContact NH1-O 3.05Å; R268-I456 PolarHBondContact NH1-O 2.86Å; R268-I456 PolarHBondContact NH2-O 3.1Å; R268-E457 PolarHBondContact NH2-O 2.96Å; R268-E457 VanDerWaalsContact NH2-O 3.13Å; R268-P458 VanDerWaalsContact NH2-CA 3.27Å
269	R	95.7	Very high	89.3	Confident	126 Å²	126	59 Å²	59	48%	0.475	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	92.8	176.7	-172.1	67.3	170.1	165.4	-0.8	109.3	L171 L175 L271 L448 V449 G450 L453	L171-R269 HydrophobicContact CD2-CG 4.27Å; L175-R269 HydrophobicContact CD1-CB 3.66Å; L175-R269 HydrophobicContact CD1-CG 4.33Å; R269-L271 HydrophobicContact CG-CD1 4.43Å; R269-L271 HydrophobicContact CG-CG 4.25Å; R269-L271 PolarHBondContact O-N 2.67Å; R269-L448 PolarHBondContact N-O 2.87Å; R269-V449 HydrophobicContact CB-CG2 4.19Å; R269-V449 WeakPolarHBondContact O-CA 3.4Å; R269-G450 PolarHBondContact O-N 3.39Å; R269-L453 WeakPolarHBondContact O-CD1 3.5Å
270	D	93.3	Very high	91.3	Very high	87 Å²	87	56 Å²	56	47%	0.465	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	125.4	178.8	-155.6	-19.4	0	0	0	110.7	N272 G450 L453	D270-N272 PolarHBondContact OD1-OD1 3.19Å; D270-G450 WeakPolarHBondContact CA-O 3.43Å; D270-L453 HydrophobicContact CB-CD1 4.49Å
271	L	92.9	Very high	93.1	Very high	43 Å²	43	51.4 Å²	51.4	23%	0.225	29%	0.294	C	S	.	.			trans	-136.9	85.7	-179.2	-65.8	176.4	0	0	0	108.6	L168 L171 R269 A273 A274 V449 G450	L168-L271 HydrophobicContact CD1-CD1 4.21Å; L168-L271 HydrophobicContact CD2-CD1 3.56Å; L171-L271 HydrophobicContact CD2-CD1 4.46Å; R269-L271 HydrophobicContact CG-CD1 4.43Å; R269-L271 HydrophobicContact CG-CG 4.25Å; R269-L271 PolarHBondContact O-N 2.67Å; L271-A273 PolarHBondContact O-N 3.21Å; L271-A274 HydrophobicContact CB-CB 3.88Å; L271-A274 VanDerWaalsContact O-CB 3.23Å; L271-A274 WeakPolarHBondContact O-CB 3.33Å; L271-A274 PolarHBondContact O-N 3.44Å; L271-V449 HydrophobicContact CD1-CG1 3.72Å; L271-G450 PolarHBondContact N-O 3.32Å
272	N	88.1	Confident	93.9	Very high	127 Å²	127	50.2 Å²	50.2	68%	0.679	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-30.4	-178.5	-64.4	-8	0	0	0	114.5	D270 A274	D270-N272 PolarHBondContact OD1-OD1 3.19Å; N272-A274 VanDerWaalsContact C-N 3.33Å
273	A	87.8	Confident	94.1	Very high	103 Å²	103	48.9 Å²	48.9	85%	0.851	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-4.7	179.5	0	0	0	0	0	113.8	L271	L271-A273 PolarHBondContact O-N 3.21Å
274	A	90.7	Very high	94.2	Very high	11 Å²	11	46.5 Å²	46.5	9%	0.091	26%	0.262	C	S	.	.			trans	-76.3	132.8	-179.3	0	0	0	0	0	110.5	L168 L271 N272 T276 P451	L168-A274 HydrophobicContact CD1-CB 3.43Å; L168-A274 VanDerWaalsContact CD1-CB 3.43Å; L271-A274 HydrophobicContact CB-CB 3.88Å; L271-A274 VanDerWaalsContact O-CB 3.23Å; L271-A274 WeakPolarHBondContact O-CB 3.33Å; L271-A274 PolarHBondContact O-N 3.44Å; N272-A274 VanDerWaalsContact C-N 3.33Å; A274-T276 VanDerWaalsContact C-N 3.26Å; A274-T276 PolarHBondContact O-N 2.96Å; A274-P451 WeakPolarHBondContact O-CD 3.34Å; A274-P451 WeakPolarHBondContact O-CG 3.35Å
275	P	90.4	Very high	94.1	Very high	107 Å²	107	45.9 Å²	45.9	70%	0.695	25%	0.254	S	S	*	.	S	Bend	trans	-79	-8.8	-178.8	32.3	-37	0	0	0	113.5
276	T	93.2	Very high	93.4	Very high	34 Å²	34	55.6 Å²	55.6	21%	0.209	28%	0.282	C	S	.	.	S	Bend	trans	-146.9	137.7	-170	-51.8	0	0	0	0	109.5	A274 Y278 A348 G349	A274-T276 VanDerWaalsContact C-N 3.26Å; A274-T276 PolarHBondContact O-N 2.96Å; T276-Y278 HydrophobicContact CG2-CD2 4.5Å; T276-Y278 HydrophobicContact CG2-CE1 4.47Å; T276-Y278 HydrophobicContact CG2-CE2 3.99Å; T276-A348 HydrophobicContact CG2-CB 4.32Å; T276-G349 WeakPolarHBondContact CG2-O 3.36Å
277	V	95.1	Very high	92.1	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	131	169.1	-179.3	0	0	0	0	109	A348 G349 P352 V355 V449 P451 L453 I456	V277-A348 CarbonylContact O-C 3.57Å; V277-A348 VanDerWaalsContact O-CA 3.22Å; V277-A348 WeakPolarHBondContact O-CA 3.3Å; V277-G349 PolarHBondContact N-O 2.89Å; V277-G349 PolarHBondContact O-N 3.33Å; V277-P352 HydrophobicContact CG2-CB 4.01Å; V277-P352 HydrophobicContact CG2-CG 3.7Å; V277-V355 HydrophobicContact CB-CG2 4.42Å; V277-V355 HydrophobicContact CG1-CG1 4.36Å; V277-V449 CarbonylContact C-O 3.4Å; V277-V449 WeakPolarHBondContact CA-O 3.5Å; V277-P451 HydrophobicContact CG2-CG 4.29Å; V277-L453 HydrophobicContact CG1-CD2 3.79Å; V277-L453 HydrophobicContact CG2-CD2 4.34Å; V277-I456 HydrophobicContact CG1-CD1 3.89Å
278	Y	96.5	Very high	91	Very high	53 Å²	53	55.6 Å²	55.6	21%	0.208	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	124.3	170.3	-63.1	-89.5	0	0	0	109	L168 N169 T276 A348 L448 V449	L168-Y278 HydrophobicContact CB-CD2 3.78Å; L168-Y278 HydrophobicContact CB-CE2 3.74Å; N169-Y278 HydrophobicContact CB-CD1 3.92Å; N169-Y278 HydrophobicContact CB-CE1 3.77Å; T276-Y278 HydrophobicContact CG2-CD2 4.5Å; T276-Y278 HydrophobicContact CG2-CE1 4.47Å; T276-Y278 HydrophobicContact CG2-CE2 3.99Å; Y278-A348 HydrophobicContact CD1-CB 3.74Å; Y278-A348 HydrophobicContact CE1-CB 3.85Å; Y278-L448 CarbonylContact O-C 3.56Å; Y278-L448 WeakPolarHBondContact O-CA 3.4Å; Y278-V449 PolarHBondContact N-O 3.46Å; Y278-V449 PolarHBondContact O-N 3.27Å
279	A	96.9	Very high	90.2	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.008	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	128.8	179.3	0	0	0	0	0	110.2	A346 V347 V355 I359 F446 S447 L448	A279-A346 CarbonylContact O-C 3.6Å; A279-A346 VanDerWaalsContact O-CA 3.31Å; A279-A346 WeakPolarHBondContact O-CA 3.38Å; A279-V347 HydrophobicContact CB-CB 4.48Å; A279-V347 PolarHBondContact N-O 2.74Å; A279-V347 PolarHBondContact O-N 3.01Å; A279-V355 HydrophobicContact CB-CG1 3.82Å; A279-I359 HydrophobicContact CB-CD1 3.6Å; A279-F446 HydrophobicContact CB-CE2 4.28Å; A279-S447 CarbonylContact C-O 3.59Å; A279-S447 WeakPolarHBondContact CA-O 3.49Å; A279-L448 HydrophobicContact CB-CD2 3.35Å
280	Y	97.9	Very high	89.8	Confident	8 Å²	8	50.5 Å²	50.5	3%	0.031	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	125	174.7	-57.7	-104.4	0	0	0	109.2	N169 M173 L176 F333 I345 A346 F446 S447	N169-Y280 WeakPolarHBondContact CA-OH 3.33Å; N169-Y280 PolarHBondContact O-OH 2.84Å; N169-Y280 VanDerWaalsContact O-OH 3.04Å; N169-Y280 PolarHBondContact OD1-OH 3.39Å; M173-Y280 HydrophobicContact SD-CD1 4.47Å; L176-Y280 HydrophobicContact CD2-CG 4.34Å; Y280-F333 AromaticContact CD1-CE1 3.73Å; Y280-F333 HydrophobicContact CD1-CE1 3.73Å; Y280-F333 HydrophobicContact CD1-CZ 4.09Å; Y280-I345 WeakPolarHBondContact CA-O 3.23Å; Y280-A346 HydrophobicContact CD1-CB 3.64Å; Y280-A346 HydrophobicContact CE1-CB 3.46Å; Y280-A346 VanDerWaalsContact CE1-CB 3.46Å; Y280-A346 HydrophobicContact CG-CB 4.47Å; Y280-F446 CarbonylContact O-C 3.53Å; Y280-F446 VanDerWaalsContact O-CA 3.28Å; Y280-F446 WeakPolarHBondContact O-CA 3.42Å; Y280-F446 WeakPolarHBondContact O-CD2 3.21Å; Y280-S447 WeakPolarHBondContact CB-OG 3.24Å; Y280-S447 WeakPolarHBondContact CD2-OG 3.29Å; Y280-S447 PolarHBondContact N-O 3.41Å; Y280-S447 PolarHBondContact O-N 3.23Å
281	L	97	Very high	89.6	Confident	6 Å²	6	48 Å²	48	3%	0.031	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	126.8	171.2	177.4	62.3	0	0	0	108.3	W283 G344 I345 I359 I363 A444 A445 F446 L459	L281-W283 HydrophobicContact CD1-CZ2 4.34Å; L281-W283 HydrophobicContact CD2-CH2 3.29Å; L281-W283 HydrophobicContact CD2-CZ2 3.61Å; L281-W283 HydrophobicContact CD2-CZ3 4.09Å; L281-W283 HydrophobicContact CG-CH2 3.59Å; L281-W283 HydrophobicContact CG-CZ2 3.88Å; L281-W283 HydrophobicContact CG-CZ3 3.95Å; L281-G344 CarbonylContact O-C 3.53Å; L281-G344 WeakPolarHBondContact O-CA 3.19Å; L281-I345 PolarHBondContact N-O 3.25Å; L281-I345 PolarHBondContact O-N 3.41Å; L281-I359 HydrophobicContact CD2-CG2 4.17Å; L281-I363 HydrophobicContact CD2-CD1 3.63Å; L281-I363 HydrophobicContact CD2-CG1 3.74Å; L281-A444 HydrophobicContact CD1-CB 4Å; L281-A445 WeakPolarHBondContact CA-O 3.38Å; L281-F446 HydrophobicContact CB-CD2 3.99Å; L281-F446 HydrophobicContact CB-CE2 4.33Å; L281-F446 HydrophobicContact CD1-CB 4.45Å; L281-F446 HydrophobicContact CD1-CD2 4.13Å; L281-L459 HydrophobicContact CD1-CD1 3.61Å
282	A	96.7	Very high	89.5	Confident	0 Å²	0	46 Å²	46	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	148.3	179.2	0	0	0	0	0	112.6	L176 F333 L342 F343 A444 A445	L176-A282 HydrophobicContact CD1-CB 4.14Å; L176-A282 HydrophobicContact CD2-CB 3.68Å; L176-A282 HydrophobicContact CG-CB 4.26Å; A282-F333 HydrophobicContact CB-CE2 4.39Å; A282-F333 HydrophobicContact CB-CZ 4.21Å; A282-L342 HydrophobicContact CB-CB 4.47Å; A282-F343 CarbonylContact C-O 3.56Å; A282-F343 VanDerWaalsContact CA-O 3.28Å; A282-F343 WeakPolarHBondContact CA-O 3.16Å; A282-A444 CarbonylContact O-C 3.54Å; A282-A444 WeakPolarHBondContact O-CA 3.41Å; A282-A444 WeakPolarHBondContact O-CB 3.43Å; A282-A445 PolarHBondContact N-O 3.1Å; A282-A445 PolarHBondContact O-N 3.13Å
283	W	95.5	Very high	89.7	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	152.3	175.2	-64.8	-91.9	0	0	0	110	L281 M285 L342 F343 I363 L366 T438 V439 N441 A444 L463	L281-W283 HydrophobicContact CD1-CZ2 4.34Å; L281-W283 HydrophobicContact CD2-CH2 3.29Å; L281-W283 HydrophobicContact CD2-CZ2 3.61Å; L281-W283 HydrophobicContact CD2-CZ3 4.09Å; L281-W283 HydrophobicContact CG-CH2 3.59Å; L281-W283 HydrophobicContact CG-CZ2 3.88Å; L281-W283 HydrophobicContact CG-CZ3 3.95Å; W283-M285 PolarHBondContact O-N 2.73Å; W283-L342 WeakPolarHBondContact O-CA 3.17Å; W283-F343 HydrophobicContact CE3-CD1 4.33Å; W283-F343 HydrophobicContact CE3-CE1 4.47Å; W283-F343 PolarHBondContact N-O 3.04Å; W283-F343 PolarHBondContact O-N 2.55Å; W283-I363 HydrophobicContact CH2-CG1 4.45Å; W283-L366 HydrophobicContact CH2-CD1 4.28Å; W283-L366 HydrophobicContact CZ3-CD1 4.38Å; W283-T438 HydrophobicContact CB-CG2 3.55Å; W283-T438 HydrophobicContact CG-CG2 4.37Å; W283-V439 HydrophobicContact CZ2-CG1 4.41Å; W283-N441 PolarHBondContact NE1-O 3.28Å; W283-A444 HydrophobicContact CG-CB 4.23Å; W283-L463 HydrophobicContact CZ2-CD2 4.13Å
284	P	93.9	Very high	89.9	Confident	29 Å²	29	35.2 Å²	35.2	19%	0.188	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	122.9	169.7	30	-30.7	0	0	0	108.7	F262 S341 Q443	F262-P284 HydrophobicContact CB-CB 3.87Å; F262-P284 HydrophobicContact CB-CG 4.18Å; F262-P284 HydrophobicContact CD1-CB 4.15Å; F262-P284 HydrophobicContact CD1-CG 3.64Å; F262-P284 HydrophobicContact CD2-CB 3.76Å; F262-P284 HydrophobicContact CD2-CG 4.09Å; F262-P284 HydrophobicContact CE1-CG 3.95Å; F262-P284 HydrophobicContact CE2-CB 4.28Å; F262-P284 HydrophobicContact CE2-CG 4.35Å; F262-P284 HydrophobicContact CG-CB 3.66Å; F262-P284 HydrophobicContact CG-CG 3.7Å; F262-P284 HydrophobicContact CZ-CG 4.28Å; P284-S341 WeakPolarHBondContact CA-O 3.5Å; P284-Q443 WeakPolarHBondContact CD-O 3.36Å
285	M	90.6	Very high	89.9	Confident	5 Å²	5	34.7 Å²	34.7	3%	0.025	20%	0.196	C	C	.	.			trans	-104.6	134.1	174	-171.5	175.3	-175.6	0	0	108.9	W283 I291 S292 I295 S341 F343 A434 T438	W283-M285 PolarHBondContact O-N 2.73Å; M285-I291 HydrophobicContact CE-CG2 4.01Å; M285-S292 VanDerWaalsContact SD-CB 3.53Å; M285-I295 HydrophobicContact CE-CD1 3.48Å; M285-I295 VanDerWaalsContact CE-CD1 3.48Å; M285-I295 HydrophobicContact SD-CD1 4.42Å; M285-S341 WeakPolarHBondContact CB-OG 3.27Å; M285-S341 PolarHBondContact N-O 3.08Å; M285-S341 PolarHBondContact O-OG 2.66Å; M285-F343 HydrophobicContact CB-CB 3.98Å; M285-F343 HydrophobicContact SD-CB 3.93Å; M285-F343 HydrophobicContact SD-CG 4.46Å; M285-A434 HydrophobicContact CE-CB 3.83Å; M285-T438 HydrophobicContact CB-CG2 4.13Å; M285-T438 HydrophobicContact CG-CG2 4.42Å
286	R	79	Confident	90	Very high	233 Å²	233	30.3 Å²	30.3	88%	0.879	17%	0.167	S	C	*	.			trans	-107.4	117	168.9	-66.9	-172.1	179.5	-177.7	1.4	107.5
287	G	69.4	Low	89.9	Confident	51 Å²	51	29.3 Å²	29.3	53%	0.526	16%	0.161	S	C	.	.	S	Bend	trans	166.3	175.6	179.3	0	0	0	0	0	113.8
288	S	73.1	Confident	89.7	Confident	65 Å²	65	29.5 Å²	29.5	46%	0.455	16%	0.163	S	C	.	.			trans	-67.6	142.1	176.1	175	0	0	0	0	111.4	T290 I291 S292	S288-T290 PolarHBondContact O-N 2.87Å; S288-T290 PolarHBondContact OG-N 3.44Å; S288-I291 PolarHBondContact O-N 3.41Å; S288-S292 PolarHBondContact O-N 2.96Å
289	C	81.6	Confident	89.3	Confident	73 Å²	73	27 Å²	27	49%	0.493	15%	0.153	S	C	.	.	H	α-helix	trans	-36.8	-46.8	167	158.9	0	0	0	0	112.1	I291 S292 G293 L336	C289-I291 PolarHBondContact O-N 2.86Å; C289-S292 PolarHBondContact O-N 3.22Å; C289-S292 PolarHBondContact O-OG 3.33Å; C289-G293 PolarHBondContact O-N 3.39Å; C289-L336 HydrophobicContact CB-CD1 3.74Å
290	T	86.2	Confident	88.9	Confident	24 Å²	24	27.8 Å²	27.8	15%	0.147	16%	0.157	C	C	.	.	H	α-helix	trans	-56.9	-48.8	180	-69.2	0	0	0	0	114	S288 G293 L294 L423 V426	S288-T290 PolarHBondContact O-N 2.87Å; S288-T290 PolarHBondContact OG-N 3.44Å; T290-G293 PolarHBondContact O-N 3.43Å; T290-L294 HydrophobicContact CG2-CD1 4.19Å; T290-L294 WeakPolarHBondContact O-CG 3.41Å; T290-L294 PolarHBondContact O-N 3.41Å; T290-L423 HydrophobicContact CG2-CD2 3.36Å; T290-V426 HydrophobicContact CG2-CG2 3.37Å
291	I	89.8	Confident	88.1	Confident	35 Å²	35	28 Å²	28	18%	0.179	16%	0.162	C	C	.	.	H	α-helix	trans	-68.4	-45.8	-175	-62.2	174.7	0	0	0	109.7	M285 S288 C289 G293 L294 I295 V426 V431 A434	M285-I291 HydrophobicContact CE-CG2 4.01Å; S288-I291 PolarHBondContact O-N 3.41Å; C289-I291 PolarHBondContact O-N 2.86Å; I291-G293 VanDerWaalsContact C-N 3.31Å; I291-G293 PolarHBondContact O-N 3.47Å; I291-L294 PolarHBondContact O-N 2.85Å; I291-I295 HydrophobicContact CG2-CD1 4.2Å; I291-I295 WeakPolarHBondContact O-CG1 3.27Å; I291-I295 PolarHBondContact O-N 2.81Å; I291-V426 HydrophobicContact CG1-CG1 4.38Å; I291-V431 HydrophobicContact CG2-CG2 4.48Å; I291-A434 HydrophobicContact CG2-CB 3.71Å
292	S	90.8	Very high	86.8	Confident	2 Å²	2	30.8 Å²	30.8	1%	0.014	18%	0.182	C	C	.	.	H	α-helix	trans	-60.2	-40.8	178.2	68.3	0	0	0	0	112.2	M285 S288 C289 I295 V296 H334	M285-S292 VanDerWaalsContact SD-CB 3.53Å; S288-S292 PolarHBondContact O-N 2.96Å; C289-S292 PolarHBondContact O-N 3.22Å; C289-S292 PolarHBondContact O-OG 3.33Å; S292-I295 PolarHBondContact O-N 3.39Å; S292-V296 WeakPolarHBondContact O-CG2 3.29Å; S292-V296 PolarHBondContact O-N 2.98Å; S292-V296 VanDerWaalsContact O-N 3.1Å; S292-H334 PolarHBondContact OG-ND1 3.23Å
293	G	91.1	Very high	85.3	Confident	2 Å²	2	31 Å²	31	2%	0.021	18%	0.184	C	C	.	.	H	α-helix	trans	-63.7	-41.8	175.6	0	0	0	0	0	112.7	C289 T290 I291 V296 C297 H334	C289-G293 PolarHBondContact O-N 3.39Å; T290-G293 PolarHBondContact O-N 3.43Å; I291-G293 VanDerWaalsContact C-N 3.31Å; I291-G293 PolarHBondContact O-N 3.47Å; G293-V296 PolarHBondContact O-N 3.1Å; G293-C297 PolarHBondContact O-N 3.19Å; G293-C297 PolarHBondContact O-SG 3.06Å; G293-C297 VanDerWaalsContact O-SG 3.4Å; G293-H334 PolarHBondContact N-ND1 3.05Å
294	L	92	Very high	84	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-64.3	-41	177.1	-72.9	171.7	0	0	0	112.3	T290 I291 C297 A298 L376 A379 K380 L383 V426	T290-L294 HydrophobicContact CG2-CD1 4.19Å; T290-L294 WeakPolarHBondContact O-CG 3.41Å; T290-L294 PolarHBondContact O-N 3.41Å; I291-L294 PolarHBondContact O-N 2.85Å; L294-C297 PolarHBondContact O-N 3.02Å; L294-A298 VanDerWaalsContact O-CB 3.29Å; L294-A298 WeakPolarHBondContact O-CB 3.36Å; L294-A298 PolarHBondContact O-N 3.37Å; L294-L376 HydrophobicContact CD1-CD1 4.38Å; L294-A379 HydrophobicContact CD2-CB 4.39Å; L294-K380 HydrophobicContact CD2-CB 4.31Å; L294-K380 HydrophobicContact CD2-CG 3.71Å; L294-L383 HydrophobicContact CD2-CB 4.34Å; L294-L383 HydrophobicContact CD2-CD2 3.78Å; L294-L383 HydrophobicContact CG-CD2 3.86Å; L294-V426 HydrophobicContact CD1-CB 3.76Å; L294-V426 HydrophobicContact CD1-CG1 3.7Å; L294-V426 HydrophobicContact CD1-CG2 3.84Å
295	I	92.1	Very high	82.9	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-59.7	-48.7	174.8	-67.3	174	0	0	0	110.2	M285 I291 S292 C297 A298 L299 F343 F371 V431 A434 L435	M285-I295 HydrophobicContact CE-CD1 3.48Å; M285-I295 VanDerWaalsContact CE-CD1 3.48Å; M285-I295 HydrophobicContact SD-CD1 4.42Å; I291-I295 HydrophobicContact CG2-CD1 4.2Å; I291-I295 WeakPolarHBondContact O-CG1 3.27Å; I291-I295 PolarHBondContact O-N 2.81Å; S292-I295 PolarHBondContact O-N 3.39Å; I295-C297 PolarHBondContact O-N 3.21Å; I295-A298 PolarHBondContact O-N 3Å; I295-L299 HydrophobicContact CG2-CD1 3.82Å; I295-L299 HydrophobicContact CG2-CG 4.39Å; I295-L299 WeakPolarHBondContact O-CB 3.49Å; I295-L299 VanDerWaalsContact O-CG 3.32Å; I295-L299 WeakPolarHBondContact O-CG 3.31Å; I295-L299 PolarHBondContact O-N 3.07Å; I295-F343 HydrophobicContact CG2-CD2 4.25Å; I295-F343 HydrophobicContact CG2-CE2 3.58Å; I295-F343 HydrophobicContact CG2-CZ 3.78Å; I295-F371 HydrophobicContact CG1-CE2 4.33Å; I295-F371 HydrophobicContact CG2-CE2 4.22Å; I295-F371 HydrophobicContact CG2-CZ 4.29Å; I295-V431 HydrophobicContact CG1-CG1 3.64Å; I295-A434 HydrophobicContact CD1-CB 4.32Å; I295-L435 HydrophobicContact CD1-CB 4.06Å; I295-L435 HydrophobicContact CG2-CD1 3.83Å
296	V	92	Very high	81.9	Confident	15 Å²	15	44.5 Å²	44.5	9%	0.091	24%	0.242	C	C	.	.	H	α-helix	trans	-59.6	-46	179.2	169.3	0	0	0	0	111.3	S292 G293 L299 N300 A332 H334 F343	S292-V296 WeakPolarHBondContact O-CG2 3.29Å; S292-V296 PolarHBondContact O-N 2.98Å; S292-V296 VanDerWaalsContact O-N 3.1Å; G293-V296 PolarHBondContact O-N 3.1Å; V296-L299 PolarHBondContact O-N 3.49Å; V296-N300 WeakPolarHBondContact CG1-ND2 3.31Å; V296-N300 WeakPolarHBondContact O-CB 3.35Å; V296-N300 PolarHBondContact O-N 3.46Å; V296-N300 PolarHBondContact O-ND2 3.35Å; V296-A332 HydrophobicContact CG1-CB 4.32Å; V296-A332 WeakPolarHBondContact CG1-O 3.32Å; V296-A332 HydrophobicContact CG2-CB 4.45Å; V296-H334 HydrophobicContact CG2-CB 3.96Å; V296-F343 HydrophobicContact CG2-CD2 3.98Å; V296-F343 HydrophobicContact CG2-CE2 3.96Å
297	C	91.1	Very high	81.3	Confident	12 Å²	12	42.1 Å²	42.1	8%	0.081	24%	0.238	C	C	.	.	H	α-helix	trans	-64.7	-38.7	176.7	-70.1	0	0	0	0	112.4	G293 L294 I295 L299 G301 A379	G293-C297 PolarHBondContact O-N 3.19Å; G293-C297 PolarHBondContact O-SG 3.06Å; G293-C297 VanDerWaalsContact O-SG 3.4Å; L294-C297 PolarHBondContact O-N 3.02Å; I295-C297 PolarHBondContact O-N 3.21Å; C297-L299 VanDerWaalsContact C-N 3.35Å; C297-G301 WeakPolarHBondContact O-CA 3.42Å; C297-G301 PolarHBondContact O-N 3.45Å; C297-A379 HydrophobicContact CB-CB 3.97Å
298	A	90	Very high	81	Confident	5 Å²	5	47.4 Å²	47.4	4%	0.041	25%	0.249	C	C	.	.	H	α-helix	trans	-66.3	-36.8	177.8	0	0	0	0	0	112.3	L294 I295 F371 A379	L294-A298 VanDerWaalsContact O-CB 3.29Å; L294-A298 WeakPolarHBondContact O-CB 3.36Å; L294-A298 PolarHBondContact O-N 3.37Å; I295-A298 PolarHBondContact O-N 3Å; A298-F371 HydrophobicContact CB-CD1 3.77Å; A298-F371 HydrophobicContact CB-CD2 4.44Å; A298-F371 HydrophobicContact CB-CE1 3.6Å; A298-F371 HydrophobicContact CB-CE2 4.27Å; A298-F371 HydrophobicContact CB-CG 4.2Å; A298-F371 HydrophobicContact CB-CZ 3.88Å; A298-A379 HydrophobicContact CB-CB 3.82Å
299	L	89.4	Confident	80.5	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-74.6	-44.8	178.8	-73.2	174.5	0	0	0	113.2	I295 V296 C297 S315 L316 L317 A332 F343 L366 F371	I295-L299 HydrophobicContact CG2-CD1 3.82Å; I295-L299 HydrophobicContact CG2-CG 4.39Å; I295-L299 WeakPolarHBondContact O-CB 3.49Å; I295-L299 VanDerWaalsContact O-CG 3.32Å; I295-L299 WeakPolarHBondContact O-CG 3.31Å; I295-L299 PolarHBondContact O-N 3.07Å; V296-L299 PolarHBondContact O-N 3.49Å; C297-L299 VanDerWaalsContact C-N 3.35Å; L299-S315 VanDerWaalsContact O-CB 3.3Å; L299-S315 WeakPolarHBondContact O-CB 3.38Å; L299-S315 PolarHBondContact O-OG 2.96Å; L299-L316 HydrophobicContact CD2-CB 4.2Å; L299-L316 HydrophobicContact CD2-CD2 3.83Å; L299-L316 HydrophobicContact CD2-CG 4.48Å; L299-L317 HydrophobicContact CB-CD1 3.72Å; L299-L317 HydrophobicContact CB-CG 3.93Å; L299-L317 HydrophobicContact CD2-CD2 4.3Å; L299-L317 HydrophobicContact CD2-CG 4.19Å; L299-A332 HydrophobicContact CB-CB 3.87Å; L299-A332 HydrophobicContact CD1-CB 3.95Å; L299-F343 HydrophobicContact CD1-CE2 3.81Å; L299-F343 HydrophobicContact CD1-CZ 3.39Å; L299-L366 HydrophobicContact CD1-CD2 4.05Å; L299-L366 HydrophobicContact CD2-CD2 3.55Å; L299-L366 HydrophobicContact CG-CD2 4.48Å; L299-F371 HydrophobicContact CD1-CZ 4.48Å; L299-F371 HydrophobicContact CD2-CE1 3.73Å; L299-F371 HydrophobicContact CD2-CZ 3.65Å; L299-F371 HydrophobicContact CG-CE1 4.05Å; L299-F371 HydrophobicContact CG-CZ 3.69Å
300	N	87.1	Confident	79.4	Confident	17 Å²	17	45.7 Å²	45.7	9%	0.091	22%	0.224	C	C	.	.	H	α-helix	trans	-70.9	-37.2	177.5	-70.8	-25.2	0	0	0	110.9	V296 S303 S315 A332	V296-N300 WeakPolarHBondContact CG1-ND2 3.31Å; V296-N300 WeakPolarHBondContact O-CB 3.35Å; V296-N300 PolarHBondContact O-N 3.46Å; V296-N300 PolarHBondContact O-ND2 3.35Å; N300-S303 WeakPolarHBondContact O-CB 3.3Å; N300-S303 PolarHBondContact O-OG 3.28Å; N300-S315 WeakPolarHBondContact O-CB 3.09Å; N300-S315 PolarHBondContact O-OG 3.39Å; N300-A332 PolarHBondContact ND2-O 2.87Å; N300-A332 PolarHBondContact OD1-N 3.13Å
301	G	80.6	Confident	78.1	Confident	14 Å²	14	47.6 Å²	47.6	14%	0.144	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	-149.1	-169.3	0	0	0	0	0	111.5	C297 S303	C297-G301 WeakPolarHBondContact O-CA 3.42Å; C297-G301 PolarHBondContact O-N 3.45Å; G301-S303 VanDerWaalsContact C-N 3.28Å; G301-S303 PolarHBondContact O-N 3.12Å
302	S	71.3	Confident	76.6	Confident	63 Å²	63	50.1 Å²	50.1	44%	0.441	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	0.2	179	55.4	0	0	0	0	114.6	N304 R305	S302-N304 VanDerWaalsContact C-N 3.34Å; S302-N304 PolarHBondContact O-N 3.33Å; S302-R305 PolarHBondContact O-N 3.04Å
303	S	65.4	Low	75.1	Confident	6 Å²	6	51 Å²	51	4%	0.042	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-63.9	-34.8	-164.8	76.4	0	0	0	0	114	N300 G301 R305 R310	N300-S303 WeakPolarHBondContact O-CB 3.3Å; N300-S303 PolarHBondContact O-OG 3.28Å; G301-S303 VanDerWaalsContact C-N 3.28Å; G301-S303 PolarHBondContact O-N 3.12Å; S303-R305 VanDerWaalsContact C-N 3.31Å; S303-R305 PolarHBondContact O-N 3.31Å; S303-R310 WeakPolarHBondContact CB-O 3.36Å
304	N	68.1	Low	73.8	Confident	59 Å²	59	60.3 Å²	60.3	32%	0.316	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-81.5	-5.3	-178	-74.5	-23.1	0	0	0	114.1	S302 R310	S302-N304 VanDerWaalsContact C-N 3.34Å; S302-N304 PolarHBondContact O-N 3.33Å; N304-R310 PolarHBondContact OD1-NE 3.02Å
305	R	69.7	Low	72.9	Confident	152 Å²	152	60.6 Å²	60.6	57%	0.574	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-87.4	-20.2	-177.3	-59.6	-172.8	71.9	-139.9	-1.5	113.3	S302 S303	S302-R305 PolarHBondContact O-N 3.04Å; S303-R305 VanDerWaalsContact C-N 3.31Å; S303-R305 PolarHBondContact O-N 3.31Å
306	I	70.3	Confident	72.2	Confident	106 Å²	106	61.2 Å²	61.2	54%	0.544	31%	0.311	S	S	.	.	S	Bend	trans	-117.9	128.6	179.6	45.3	164.7	0	0	0	110	H308 G309	I306-H308 PolarHBondContact O-N 3.48Å; I306-G309 PolarHBondContact O-N 3.46Å; I306-G309 VanDerWaalsContact O-N 3.1Å
307	K	66.5	Low	71.6	Confident	182 Å²	182	60.8 Å²	60.8	79%	0.791	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	124.5	174.3	-164	-174.5	176.4	179.9	0	108.5
308	H	63.3	Low	70.7	Confident	163 Å²	163	60.7 Å²	60.7	76%	0.755	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	73	7	-176.6	-36.9	106.1	0	0	0	117.4	I306 R310	I306-H308 PolarHBondContact O-N 3.48Å; H308-R310 VanDerWaalsContact C-N 3.32Å; H308-R310 PolarHBondContact O-N 2.71Å
309	G	61	Low	69.9	Low	7 Å²	7	69.2 Å²	69.2	7%	0.072	34%	0.339	C	S	.	.			trans	-88.4	9.1	176	0	0	0	0	0	115.4	I306 N311 A312	I306-G309 PolarHBondContact O-N 3.46Å; I306-G309 VanDerWaalsContact O-N 3.1Å; G309-N311 PolarHBondContact O-N 2.94Å; G309-A312 PolarHBondContact O-N 3.46Å
310	R	60.2	Low	69.3	Low	95 Å²	95	69.5 Å²	69.5	36%	0.358	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-42.1	-165.7	-76.1	-173.6	161.7	124.1	2.9	114.1	S303 N304 H308 E329	S303-R310 WeakPolarHBondContact CB-O 3.36Å; N304-R310 PolarHBondContact OD1-NE 3.02Å; H308-R310 VanDerWaalsContact C-N 3.32Å; H308-R310 PolarHBondContact O-N 2.71Å; R310-E329 WeakPolarHBondContact CD-OE1 3.38Å; R310-E329 IonicContact CZ-OE1 2.66Å; R310-E329 IonicContact NE-OE1 3.36Å; R310-E329 IonicContact NH1-OE1 3.85Å; R310-E329 PolarHBondContact NH1-OE1 3.44Å; R310-E329 IonicContact NH1-OE2 3.62Å
311	N	58.4	Low	68.5	Low	63 Å²	63	70.2 Å²	70.2	34%	0.337	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-8.9	-179.6	-66.4	-17.8	0	0	0	113.7	G309 S313 I326	G309-N311 PolarHBondContact O-N 2.94Å; N311-S313 VanDerWaalsContact C-N 3.31Å; N311-I326 PolarHBondContact ND2-O 3.13Å
312	A	57.8	Low	68.1	Low	89 Å²	89	73.6 Å²	73.6	74%	0.736	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-12.7	-179.7	0	0	0	0	0	113.3	G309	G309-A312 PolarHBondContact O-N 3.46Å
313	S	59.2	Low	67.5	Low	21 Å²	21	79.4 Å²	79.4	15%	0.147	39%	0.387	C	S	.	.	S	Bend	trans	-74.1	145.7	179.9	-177.3	0	0	0	0	111.6	N311 S315 A318	N311-S313 VanDerWaalsContact C-N 3.31Å; S313-S315 PolarHBondContact O-N 3.49Å; S313-S315 VanDerWaalsContact O-N 3.12Å; S313-S315 PolarHBondContact OG-N 3.01Å; S313-A318 WeakPolarHBondContact O-CB 3.46Å
314	K	64.6	Low	67.2	Low	196 Å²	196	82.4 Å²	82.4	85%	0.852	42%	0.419	S	S	*	.			trans	-76.7	18	169.3	-64.5	-176.8	178.7	-180	0	112.8
315	S	73.5	Confident	67.1	Low	7 Å²	7	80.1 Å²	80.1	5%	0.049	41%	0.407	C	S	.	.			trans	-66.9	154.8	-177.7	73.6	0	0	0	0	111.5	L299 N300 S313 L317 A318 R319	L299-S315 VanDerWaalsContact O-CB 3.3Å; L299-S315 WeakPolarHBondContact O-CB 3.38Å; L299-S315 PolarHBondContact O-OG 2.96Å; N300-S315 WeakPolarHBondContact O-CB 3.09Å; N300-S315 PolarHBondContact O-OG 3.39Å; S313-S315 PolarHBondContact O-N 3.49Å; S313-S315 VanDerWaalsContact O-N 3.12Å; S313-S315 PolarHBondContact OG-N 3.01Å; S315-L317 PolarHBondContact O-N 3.48Å; S315-A318 PolarHBondContact O-N 3.13Å; S315-A318 VanDerWaalsContact OG-CB 3.27Å; S315-A318 WeakPolarHBondContact OG-CB 3.33Å; S315-A318 PolarHBondContact OG-N 2.71Å; S315-R319 WeakPolarHBondContact O-CG 3.36Å; S315-R319 PolarHBondContact O-N 3.05Å; S315-R319 VanDerWaalsContact O-N 3.08Å
316	L	75.9	Confident	66.8	Low	14 Å²	14	78.3 Å²	78.3	7%	0.073	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-38.3	-177.9	-169.7	65.9	0	0	0	111.5	L299 V365 F371	L299-L316 HydrophobicContact CD2-CB 4.2Å; L299-L316 HydrophobicContact CD2-CD2 3.83Å; L299-L316 HydrophobicContact CD2-CG 4.48Å; L316-V365 HydrophobicContact CD1-CG1 3.5Å; L316-V365 HydrophobicContact CD2-CG1 3.99Å; L316-V365 HydrophobicContact CG-CG1 3.5Å; L316-F371 HydrophobicContact CD2-CE1 4.14Å
317	L	79.2	Confident	67	Low	5 Å²	5	80.4 Å²	80.4	3%	0.026	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-41.8	175.9	-64.7	-179.2	0	0	0	112.4	L299 S315 R319 T320 V330 A332 I345 R358 I362	L299-L317 HydrophobicContact CB-CD1 3.72Å; L299-L317 HydrophobicContact CB-CG 3.93Å; L299-L317 HydrophobicContact CD2-CD2 4.3Å; L299-L317 HydrophobicContact CD2-CG 4.19Å; S315-L317 PolarHBondContact O-N 3.48Å; L317-R319 VanDerWaalsContact C-N 3.26Å; L317-R319 PolarHBondContact O-N 3.4Å; L317-T320 PolarHBondContact O-N 3Å; L317-T320 VanDerWaalsContact O-N 3.12Å; L317-T320 PolarHBondContact O-OG1 3.26Å; L317-V330 HydrophobicContact CB-CG1 4.29Å; L317-V330 HydrophobicContact CD1-CG1 4.04Å; L317-V330 HydrophobicContact CD2-CG1 4.44Å; L317-A332 HydrophobicContact CD1-CB 3.91Å; L317-I345 HydrophobicContact CD2-CD1 3.87Å; L317-R358 PolarHBondContact O-NH2 2.82Å; L317-I362 HydrophobicContact CD2-CG1 4.36Å; L317-I362 HydrophobicContact CD2-CG2 3.95Å
318	A	73.9	Confident	67.9	Low	11 Å²	11	72 Å²	72	9%	0.091	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-61.5	-36.6	179.3	0	0	0	0	0	111.9	S313 S315 T320 A321	S313-A318 WeakPolarHBondContact O-CB 3.46Å; S315-A318 PolarHBondContact O-N 3.13Å; S315-A318 VanDerWaalsContact OG-CB 3.27Å; S315-A318 WeakPolarHBondContact OG-CB 3.33Å; S315-A318 PolarHBondContact OG-N 2.71Å; A318-T320 PolarHBondContact O-N 3.11Å; A318-T320 VanDerWaalsContact O-N 3.1Å; A318-A321 VanDerWaalsContact O-CB 3.26Å; A318-A321 WeakPolarHBondContact O-CB 3.37Å; A318-A321 PolarHBondContact O-N 3.29Å
319	R	73.5	Confident	69	Low	183 Å²	183	68.5 Å²	68.5	69%	0.691	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-61.2	-16.5	176.1	-72.7	175.6	64.9	-159.3	-1.9	115	S315 L317 A321	S315-R319 WeakPolarHBondContact O-CG 3.36Å; S315-R319 PolarHBondContact O-N 3.05Å; S315-R319 VanDerWaalsContact O-N 3.08Å; L317-R319 VanDerWaalsContact C-N 3.26Å; L317-R319 PolarHBondContact O-N 3.4Å; R319-A321 PolarHBondContact O-N 3.33Å
320	T	75.6	Confident	70.3	Confident	6 Å²	6	69 Å²	69	4%	0.037	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-80.7	-0.4	176	58.5	0	0	0	0	113.2	L317 A318 R358 R361 I362 V365	L317-T320 PolarHBondContact O-N 3Å; L317-T320 VanDerWaalsContact O-N 3.12Å; L317-T320 PolarHBondContact O-OG1 3.26Å; A318-T320 PolarHBondContact O-N 3.11Å; A318-T320 VanDerWaalsContact O-N 3.1Å; T320-R358 WeakPolarHBondContact O-CD 3.48Å; T320-R358 PolarHBondContact O-NE 3.44Å; T320-R358 PolarHBondContact OG1-NE 3.2Å; T320-R358 PolarHBondContact OG1-NH2 2.82Å; T320-R361 PolarHBondContact O-NE 2.59Å; T320-I362 HydrophobicContact CG2-CG1 4.24Å; T320-I362 WeakPolarHBondContact OG1-CG1 3.1Å; T320-V365 HydrophobicContact CG2-CB 3.91Å; T320-V365 HydrophobicContact CG2-CG1 4.22Å; T320-V365 HydrophobicContact CG2-CG2 3.63Å
321	A	71.2	Confident	71.7	Confident	33 Å²	33	66.5 Å²	66.5	27%	0.273	36%	0.36	S	S	.	.			trans	-79.4	126.1	175.1	0	0	0	0	0	111	A318 R319 R358	A318-A321 VanDerWaalsContact O-CB 3.26Å; A318-A321 WeakPolarHBondContact O-CB 3.37Å; A318-A321 PolarHBondContact O-N 3.29Å; R319-A321 PolarHBondContact O-N 3.33Å; A321-R358 VanDerWaalsContact CA-CZ 3.46Å
322	V	71.1	Confident	73.3	Confident	84 Å²	84	63.6 Å²	63.6	51%	0.509	35%	0.345	S	S	.	.			trans	-100.4	161.4	169.4	-175.3	0	0	0	0	108.4	G324 D325	V322-G324 PolarHBondContact O-N 3.07Å; V322-D325 WeakPolarHBondContact CB-OD2 3.05Å; V322-D325 PolarHBondContact N-OD2 3.15Å; V322-D325 PolarHBondContact O-N 3.34Å
323	E	59	Low	75	Confident	185 Å²	185	60.6 Å²	60.6	86%	0.864	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-18	179.9	-68.4	179.7	167.8	0	0	114.2	I326	E323-I326 WeakPolarHBondContact O-CD1 3.35Å
324	G	58.8	Low	76.7	Confident	69 Å²	69	62.1 Å²	62.1	71%	0.711	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-8.5	173.9	0	0	0	0	0	116.7	V322	V322-G324 PolarHBondContact O-N 3.07Å
325	D	66.2	Low	78.1	Confident	12 Å²	12	56.7 Å²	56.7	6%	0.064	30%	0.296	C	S	.	.			trans	-103.4	14	-178.8	-44.3	-68.7	0	0	0	113.4	V322 E327 T328 R361	V322-D325 WeakPolarHBondContact CB-OD2 3.05Å; V322-D325 PolarHBondContact N-OD2 3.15Å; V322-D325 PolarHBondContact O-N 3.34Å; D325-E327 PolarHBondContact O-N 3.25Å; D325-T328 HydrophobicContact CB-CG2 4.37Å; D325-T328 WeakPolarHBondContact O-CB 3.29Å; D325-T328 PolarHBondContact O-N 2.94Å; D325-T328 PolarHBondContact O-OG1 3.42Å; D325-R361 IonicContact OD1-CZ 2.7Å; D325-R361 IonicContact OD1-NH2 3.59Å; D325-R361 PolarHBondContact OD1-NH2 2.63Å; D325-R361 IonicContact OD2-CZ 2.86Å; D325-R361 IonicContact OD2-NE 2.76Å; D325-R361 IonicContact OD2-NH2 2.77Å; D325-R361 PolarHBondContact OD2-NH2 2.97Å
326	I	62.8	Low	78.9	Confident	114 Å²	114	59.6 Å²	59.6	59%	0.585	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-24.2	-169.6	-60	171.3	0	0	0	111.6	N311 E323 T328	N311-I326 PolarHBondContact ND2-O 3.13Å; E323-I326 WeakPolarHBondContact O-CD1 3.35Å; I326-T328 VanDerWaalsContact C-N 3.33Å
327	E	76	Confident	79.5	Confident	150 Å²	150	60.5 Å²	60.5	70%	0.701	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-0.6	176.9	-58.3	-176.2	171.7	0	0	114.7	D325	D325-E327 PolarHBondContact O-N 3.25Å
328	T	85	Confident	79.8	Confident	4 Å²	4	64 Å²	64	3%	0.025	33%	0.331	C	S	.	.			trans	-92	131.4	177.3	62.9	0	0	0	0	111.6	D325 I326 A348 A354 V355 R358	D325-T328 HydrophobicContact CB-CG2 4.37Å; D325-T328 WeakPolarHBondContact O-CB 3.29Å; D325-T328 PolarHBondContact O-N 2.94Å; D325-T328 PolarHBondContact O-OG1 3.42Å; I326-T328 VanDerWaalsContact C-N 3.33Å; T328-A348 CarbonylContact C-O 3.51Å; T328-A348 VanDerWaalsContact CA-O 3.25Å; T328-A348 WeakPolarHBondContact CA-O 3.35Å; T328-A354 HydrophobicContact CG2-CB 4.15Å; T328-V355 HydrophobicContact CG2-CG2 4.27Å; T328-R358 PolarHBondContact OG1-NH1 3.18Å
329	E	85.6	Confident	80.3	Confident	90 Å²	90	67.2 Å²	67.2	42%	0.421	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	136.5	171.7	-59.2	-161.9	138.8	0	0	110	R310 V347 A348	R310-E329 WeakPolarHBondContact CD-OE1 3.38Å; R310-E329 IonicContact CZ-OE1 2.66Å; R310-E329 IonicContact NE-OE1 3.36Å; R310-E329 IonicContact NH1-OE1 3.85Å; R310-E329 PolarHBondContact NH1-OE1 3.44Å; R310-E329 IonicContact NH1-OE2 3.62Å; E329-V347 CarbonylContact O-C 3.51Å; E329-V347 VanDerWaalsContact O-CA 3.27Å; E329-V347 WeakPolarHBondContact O-CA 3.46Å; E329-A348 PolarHBondContact N-O 3.05Å; E329-A348 PolarHBondContact O-N 3.3Å
330	V	88.3	Confident	81.1	Confident	17 Å²	17	60.6 Å²	60.6	10%	0.103	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	131.3	-179.4	-175.1	0	0	0	0	109.7	L317 I345 A346 V347 R358 I362	L317-V330 HydrophobicContact CB-CG1 4.29Å; L317-V330 HydrophobicContact CD1-CG1 4.04Å; L317-V330 HydrophobicContact CD2-CG1 4.44Å; V330-I345 HydrophobicContact CG1-CG2 3.5Å; V330-A346 CarbonylContact C-O 3.51Å; V330-A346 WeakPolarHBondContact CA-O 3.47Å; V330-V347 HydrophobicContact CG1-CG2 4.29Å; V330-V347 HydrophobicContact CG2-CG1 4.22Å; V330-V347 HydrophobicContact CG2-CG2 4.22Å; V330-R358 HydrophobicContact CG2-CG 4.03Å; V330-I362 HydrophobicContact CB-CD1 4.45Å; V330-I362 HydrophobicContact CG1-CD1 3.59Å; V330-I362 HydrophobicContact CG2-CD1 3.94Å
331	V	90	Very high	81.8	Confident	44 Å²	44	60.9 Å²	60.9	27%	0.267	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	122.7	177.9	179.3	0	0	0	0	110.1	I345 A346	V331-I345 WeakPolarHBondContact O-CA 3.46Å; V331-A346 PolarHBondContact N-O 3.4Å; V331-A346 PolarHBondContact O-N 2.91Å
332	A	92.7	Very high	82.9	Confident	2 Å²	2	59.3 Å²	59.3	2%	0.017	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	142.7	164.6	0	0	0	0	0	110.5	V296 L299 N300 L317 F343 G344 I345	V296-A332 HydrophobicContact CG1-CB 4.32Å; V296-A332 WeakPolarHBondContact CG1-O 3.32Å; V296-A332 HydrophobicContact CG2-CB 4.45Å; L299-A332 HydrophobicContact CB-CB 3.87Å; L299-A332 HydrophobicContact CD1-CB 3.95Å; N300-A332 PolarHBondContact ND2-O 2.87Å; N300-A332 PolarHBondContact OD1-N 3.13Å; L317-A332 HydrophobicContact CD1-CB 3.91Å; A332-F343 HydrophobicContact CB-CE2 4.44Å; A332-G344 CarbonylContact C-O 3.56Å; A332-G344 WeakPolarHBondContact CA-O 3.36Å; A332-I345 HydrophobicContact CB-CG1 4.41Å
333	F	93.9	Very high	84	Confident	26 Å²	26	55.3 Å²	55.3	11%	0.114	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	162	176.9	65.5	-94.1	0	0	0	111.1	M173 L176 Y280 A282 K335 G344 I345 A346	M173-F333 HydrophobicContact CE-CD2 4.45Å; M173-F333 HydrophobicContact CE-CE2 3.76Å; M173-F333 HydrophobicContact CE-CZ 4.1Å; M173-F333 HydrophobicContact SD-CE2 4.36Å; L176-F333 HydrophobicContact CD2-CE2 4.02Å; L176-F333 HydrophobicContact CD2-CZ 3.55Å; Y280-F333 AromaticContact CD1-CE1 3.73Å; Y280-F333 HydrophobicContact CD1-CE1 3.73Å; Y280-F333 HydrophobicContact CD1-CZ 4.09Å; A282-F333 HydrophobicContact CB-CE2 4.39Å; A282-F333 HydrophobicContact CB-CZ 4.21Å; F333-K335 HydrophobicContact CD2-CG 4.44Å; F333-G344 VanDerWaalsContact CE1-C 3.49Å; F333-G344 PolarHBondContact N-O 3.07Å; F333-G344 PolarHBondContact O-N 3.38Å; F333-I345 VanDerWaalsContact CE1-C 3.5Å; F333-A346 HydrophobicContact CD1-CB 4.1Å; F333-A346 HydrophobicContact CE1-CB 4.09Å
334	H	94.3	Very high	85.7	Confident	52 Å²	52	46.5 Å²	46.5	24%	0.241	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	150.4	167	67.5	163.3	0	0	0	110.3	S292 G293 V296 L342	S292-H334 PolarHBondContact OG-ND1 3.23Å; G293-H334 PolarHBondContact N-ND1 3.05Å; V296-H334 HydrophobicContact CG2-CB 3.96Å; H334-L342 CarbonylContact C-O 3.58Å; H334-L342 WeakPolarHBondContact CA-O 3.34Å
335	K	93.5	Very high	87.4	Confident	83 Å²	83	43.5 Å²	43.5	36%	0.361	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	123.6	170.9	-62.2	-66.3	-178.8	-179.7	0	107.9	M173 F333 Y337 S341 L342	M173-K335 HydrophobicContact CE-CG 4.36Å; M173-K335 VanDerWaalsContact SD-CE 3.6Å; F333-K335 HydrophobicContact CD2-CG 4.44Å; K335-Y337 HydrophobicContact CB-CE2 3.97Å; K335-S341 CarbonylContact O-C 3.37Å; K335-S341 WeakPolarHBondContact O-CA 3.35Å; K335-S341 WeakPolarHBondContact O-CB 3.31Å; K335-L342 HydrophobicContact CB-CB 4.25Å; K335-L342 PolarHBondContact N-O 2.78Å; K335-L342 PolarHBondContact O-N 3.27Å
336	L	89.9	Confident	88.7	Confident	67 Å²	67	43.7 Å²	43.7	35%	0.351	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	128	-176.7	-62.9	162.4	0	0	0	108	C289	C289-L336 HydrophobicContact CB-CD1 3.74Å
337	Y	89.3	Confident	90.2	Very high	34 Å²	34	38.5 Å²	38.5	13%	0.133	19%	0.192	C	C	.	.			trans	-122.4	170.1	172.5	-54.4	-65.6	0	0	0	108.8	R113 E114 H177 F181 L190 K335 D339 H340	R113-Y337 HydrophobicContact CB-CE1 4.07Å; R113-Y337 VanDerWaalsContact CD-OH 3.31Å; R113-Y337 WeakPolarHBondContact CD-OH 3.27Å; R113-Y337 HydrophobicContact CG-CE1 4.46Å; E114-Y337 HydrophobicContact CG-CD1 4.1Å; E114-Y337 WeakPolarHBondContact OE2-CA 3.47Å; H177-Y337 PolarHBondContact CD2-OH 2.66Å; H177-Y337 AromaticContact NE2-CZ 3.7Å; H177-Y337 PolarHBondContact NE2-OH 2.81Å; F181-Y337 HydrophobicContact CE2-CE2 4.22Å; F181-Y337 HydrophobicContact CZ-CD2 4.48Å; F181-Y337 HydrophobicContact CZ-CE2 4.49Å; L190-Y337 HydrophobicContact CD1-CD2 3.63Å; L190-Y337 HydrophobicContact CD1-CE2 4.25Å; L190-Y337 HydrophobicContact CD1-CG 3.83Å; L190-Y337 HydrophobicContact CD2-CD1 3.73Å; L190-Y337 HydrophobicContact CD2-CD2 4.16Å; L190-Y337 HydrophobicContact CD2-CE1 4.03Å; L190-Y337 HydrophobicContact CD2-CE2 4.42Å; L190-Y337 HydrophobicContact CD2-CG 3.81Å; L190-Y337 HydrophobicContact CG-CD2 4.5Å; L190-Y337 HydrophobicContact CG-CG 4.49Å; K335-Y337 HydrophobicContact CB-CE2 3.97Å; Y337-D339 PolarHBondContact O-N 2.83Å; Y337-H340 CarbonylContact C-O 3.49Å; Y337-H340 WeakPolarHBondContact CA-O 3.34Å; Y337-H340 VanDerWaalsContact CB-O 3.23Å; Y337-H340 WeakPolarHBondContact CB-O 3.3Å; Y337-H340 PolarHBondContact N-O 3.38Å
338	I	85.6	Confident	91	Very high	77 Å²	77	32.1 Å²	32.1	40%	0.395	17%	0.165	S	C	.	.	S	Bend	trans	-57.9	-34	-176.2	-164	171.4	0	0	0	113.5	E114 S407	E114-I338 VanDerWaalsContact OE1-CG2 3.3Å; E114-I338 WeakPolarHBondContact OE1-CG2 3.33Å; E114-I338 PolarHBondContact OE1-N 3.33Å; E114-I338 VanDerWaalsContact OE1-N 3.1Å; E114-I338 PolarHBondContact OE2-N 2.77Å; I338-S407 WeakPolarHBondContact CD1-O 3.45Å
339	D	85.1	Confident	91.3	Very high	79 Å²	79	32.1 Å²	32.1	42%	0.422	17%	0.166	S	C	.	.	S	Bend	trans	-126.4	-15.5	-172.4	61.1	-16.5	0	0	0	113.9	R67 Y337	R67-D339 IonicContact CZ-OD1 3.88Å; R67-D339 IonicContact CZ-OD2 3.23Å; R67-D339 IonicContact NH1-OD1 3.36Å; R67-D339 PolarHBondContact NH1-OD1 3.45Å; R67-D339 IonicContact NH1-OD2 2.7Å; R67-D339 IonicContact NH2-OD1 3.43Å; R67-D339 PolarHBondContact NH2-OD1 2.67Å; R67-D339 IonicContact NH2-OD2 2.82Å; R67-D339 PolarHBondContact NH2-OD2 2.67Å; Y337-D339 PolarHBondContact O-N 2.83Å
340	H	88.5	Confident	91.6	Very high	45 Å²	45	30.4 Å²	30.4	21%	0.208	17%	0.167	C	C	.	.			trans	-131.7	153.3	-178.9	-64.5	88.4	0	0	0	111.1	F181 L190 G261 Y337	F181-H340 HydrophobicContact CE1-CB 3.94Å; F181-H340 AromaticContact CE1-CG 3.95Å; F181-H340 HydrophobicContact CZ-CB 4.01Å; L190-H340 HydrophobicContact CD1-CB 4.04Å; G261-H340 VanDerWaalsContact CA-NE2 3.3Å; G261-H340 WeakPolarHBondContact CA-NE2 3.31Å; Y337-H340 CarbonylContact C-O 3.49Å; Y337-H340 WeakPolarHBondContact CA-O 3.34Å; Y337-H340 VanDerWaalsContact CB-O 3.23Å; Y337-H340 WeakPolarHBondContact CB-O 3.3Å; Y337-H340 PolarHBondContact N-O 3.38Å
341	S	90.7	Very high	91.7	Very high	11 Å²	11	32.5 Å²	32.5	8%	0.077	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	149.4	165.7	79.4	0	0	0	0	111.6	P284 M285 K335	P284-S341 WeakPolarHBondContact CA-O 3.5Å; M285-S341 WeakPolarHBondContact CB-OG 3.27Å; M285-S341 PolarHBondContact N-O 3.08Å; M285-S341 PolarHBondContact O-OG 2.66Å; K335-S341 CarbonylContact O-C 3.37Å; K335-S341 WeakPolarHBondContact O-CA 3.35Å; K335-S341 WeakPolarHBondContact O-CB 3.31Å
342	L	93.8	Very high	91.7	Very high	1 Å²	1	31 Å²	31	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	133.5	175	-61.8	178	0	0	0	108.6	A180 F181 F262 A282 W283 H334 K335	A180-L342 HydrophobicContact CB-CD1 4.18Å; A180-L342 HydrophobicContact CB-CD2 4.18Å; F181-L342 HydrophobicContact CE2-CD1 3.74Å; F181-L342 HydrophobicContact CE2-CD2 4.26Å; F181-L342 HydrophobicContact CE2-CG 4.09Å; F181-L342 HydrophobicContact CZ-CD1 4.18Å; F181-L342 HydrophobicContact CZ-CD2 3.92Å; F181-L342 HydrophobicContact CZ-CG 4Å; F262-L342 HydrophobicContact CD2-CD2 3.81Å; F262-L342 HydrophobicContact CE2-CD2 3.61Å; A282-L342 HydrophobicContact CB-CB 4.47Å; W283-L342 WeakPolarHBondContact O-CA 3.17Å; H334-L342 CarbonylContact C-O 3.58Å; H334-L342 WeakPolarHBondContact CA-O 3.34Å; K335-L342 HydrophobicContact CB-CB 4.25Å; K335-L342 PolarHBondContact N-O 2.78Å; K335-L342 PolarHBondContact O-N 3.27Å
343	F	95	Very high	91.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	133.5	165.9	164	-99.5	0	0	0	107.7	A282 W283 M285 I295 V296 L299 A332 L435 T438 V439	A282-F343 CarbonylContact C-O 3.56Å; A282-F343 VanDerWaalsContact CA-O 3.28Å; A282-F343 WeakPolarHBondContact CA-O 3.16Å; W283-F343 HydrophobicContact CE3-CD1 4.33Å; W283-F343 HydrophobicContact CE3-CE1 4.47Å; W283-F343 PolarHBondContact N-O 3.04Å; W283-F343 PolarHBondContact O-N 2.55Å; M285-F343 HydrophobicContact CB-CB 3.98Å; M285-F343 HydrophobicContact SD-CB 3.93Å; M285-F343 HydrophobicContact SD-CG 4.46Å; I295-F343 HydrophobicContact CG2-CD2 4.25Å; I295-F343 HydrophobicContact CG2-CE2 3.58Å; I295-F343 HydrophobicContact CG2-CZ 3.78Å; V296-F343 HydrophobicContact CG2-CD2 3.98Å; V296-F343 HydrophobicContact CG2-CE2 3.96Å; L299-F343 HydrophobicContact CD1-CE2 3.81Å; L299-F343 HydrophobicContact CD1-CZ 3.39Å; A332-F343 HydrophobicContact CB-CE2 4.44Å; F343-L435 HydrophobicContact CE1-CD1 4.04Å; F343-L435 HydrophobicContact CZ-CD1 4.23Å; F343-T438 HydrophobicContact CB-CG2 4.34Å; F343-T438 HydrophobicContact CD1-CG2 3.91Å; F343-V439 HydrophobicContact CE1-CG2 4.39Å
344	G	94.4	Very high	91.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	179.5	-174	0	0	0	0	0	114.2	L281 A332 F333	L281-G344 CarbonylContact O-C 3.53Å; L281-G344 WeakPolarHBondContact O-CA 3.19Å; A332-G344 CarbonylContact C-O 3.56Å; A332-G344 WeakPolarHBondContact CA-O 3.36Å; F333-G344 VanDerWaalsContact CE1-C 3.49Å; F333-G344 PolarHBondContact N-O 3.07Å; F333-G344 PolarHBondContact O-N 3.38Å
345	I	94.7	Very high	91.4	Very high	5 Å²	5	33.7 Å²	33.7	3%	0.026	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	130.5	-179.2	-59.4	174.8	0	0	0	108.1	Y280 L281 L317 V330 V331 A332 F333 V347 I362 L366	Y280-I345 WeakPolarHBondContact CA-O 3.23Å; L281-I345 PolarHBondContact N-O 3.25Å; L281-I345 PolarHBondContact O-N 3.41Å; L317-I345 HydrophobicContact CD2-CD1 3.87Å; V330-I345 HydrophobicContact CG1-CG2 3.5Å; V331-I345 WeakPolarHBondContact O-CA 3.46Å; A332-I345 HydrophobicContact CB-CG1 4.41Å; F333-I345 VanDerWaalsContact CE1-C 3.5Å; I345-V347 HydrophobicContact CG2-CG2 4.14Å; I345-I362 HydrophobicContact CD1-CG2 3.23Å; I345-I362 HydrophobicContact CG2-CD1 4.32Å; I345-I362 HydrophobicContact CG2-CG2 4.43Å; I345-L366 HydrophobicContact CD1-CD1 3.38Å; I345-L366 HydrophobicContact CD1-CD2 4.46Å; I345-L366 HydrophobicContact CD1-CG 4.28Å
346	A	94.8	Very high	91.3	Very high	17 Å²	17	30 Å²	30	14%	0.14	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	129.6	171.1	0	0	0	0	0	108.4	A279 Y280 V330 V331 F333	A279-A346 CarbonylContact O-C 3.6Å; A279-A346 VanDerWaalsContact O-CA 3.31Å; A279-A346 WeakPolarHBondContact O-CA 3.38Å; Y280-A346 HydrophobicContact CD1-CB 3.64Å; Y280-A346 HydrophobicContact CE1-CB 3.46Å; Y280-A346 VanDerWaalsContact CE1-CB 3.46Å; Y280-A346 HydrophobicContact CG-CB 4.47Å; V330-A346 CarbonylContact C-O 3.51Å; V330-A346 WeakPolarHBondContact CA-O 3.47Å; V331-A346 PolarHBondContact N-O 3.4Å; V331-A346 PolarHBondContact O-N 2.91Å; F333-A346 HydrophobicContact CD1-CB 4.1Å; F333-A346 HydrophobicContact CE1-CB 4.09Å
347	V	93.5	Very high	91.4	Very high	4 Å²	4	29.5 Å²	29.5	2%	0.024	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	128.2	173.3	-174.1	0	0	0	0	108.1	A279 E329 V330 I345 V355 R358 I359 I362	A279-V347 HydrophobicContact CB-CB 4.48Å; A279-V347 PolarHBondContact N-O 2.74Å; A279-V347 PolarHBondContact O-N 3.01Å; E329-V347 CarbonylContact O-C 3.51Å; E329-V347 VanDerWaalsContact O-CA 3.27Å; E329-V347 WeakPolarHBondContact O-CA 3.46Å; V330-V347 HydrophobicContact CG1-CG2 4.29Å; V330-V347 HydrophobicContact CG2-CG1 4.22Å; V330-V347 HydrophobicContact CG2-CG2 4.22Å; I345-V347 HydrophobicContact CG2-CG2 4.14Å; V347-V355 HydrophobicContact CB-CG1 4.23Å; V347-V355 HydrophobicContact CG1-CB 4.44Å; V347-V355 HydrophobicContact CG1-CG1 3.89Å; V347-V355 HydrophobicContact CG1-CG2 4.36Å; V347-R358 HydrophobicContact CG1-CB 4.46Å; V347-R358 HydrophobicContact CG1-CG 4.23Å; V347-I359 HydrophobicContact CB-CG1 4.23Å; V347-I359 HydrophobicContact CG2-CG1 3.8Å; V347-I362 HydrophobicContact CG2-CD1 3.9Å
348	A	92.8	Very high	91.5	Very high	16 Å²	16	28 Å²	28	13%	0.132	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	144	175.2	0	0	0	0	0	110.4	T276 V277 Y278 T328 E329	T276-A348 HydrophobicContact CG2-CB 4.32Å; V277-A348 CarbonylContact O-C 3.57Å; V277-A348 VanDerWaalsContact O-CA 3.22Å; V277-A348 WeakPolarHBondContact O-CA 3.3Å; Y278-A348 HydrophobicContact CD1-CB 3.74Å; Y278-A348 HydrophobicContact CE1-CB 3.85Å; T328-A348 CarbonylContact C-O 3.51Å; T328-A348 VanDerWaalsContact CA-O 3.25Å; T328-A348 WeakPolarHBondContact CA-O 3.35Å; E329-A348 PolarHBondContact N-O 3.05Å; E329-A348 PolarHBondContact O-N 3.3Å
349	G	92	Very high	91.8	Very high	4 Å²	4	24.5 Å²	24.5	4%	0.041	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.9	160.2	176.8	0	0	0	0	0	113.2	T276 V277	T276-G349 WeakPolarHBondContact CG2-O 3.36Å; V277-G349 PolarHBondContact N-O 2.89Å; V277-G349 PolarHBondContact O-N 3.33Å
350	A	90.5	Very high	92.1	Very high	54 Å²	54	22.6 Å²	22.6	45%	0.446	14%	0.139	S	C	.	.	S	Bend	trans	-72.3	-34.2	-179.8	0	0	0	0	0	112.9
351	C	90.6	Very high	92.2	Very high	61 Å²	61	23.9 Å²	23.9	41%	0.412	14%	0.142	S	C	.	.			trans	-100.6	115.9	-177.2	-179.2	0	0	0	0	112	K353 A354 V355	C351-K353 VanDerWaalsContact C-N 3.31Å; C351-K353 PolarHBondContact O-N 2.89Å; C351-A354 HydrophobicContact CB-CB 3.98Å; C351-A354 PolarHBondContact O-N 3.41Å; C351-V355 PolarHBondContact O-N 3.23Å; C351-V355 VanDerWaalsContact O-N 3.1Å
352	P	91	Very high	92.3	Very high	13 Å²	13	23.5 Å²	23.5	8%	0.084	14%	0.139	C	C	.	.	H	α-helix	trans	-57.9	-38.5	179.2	-19.3	24.9	0	0	0	113.8	V277 V355 G356 P451 D452 F455 I456	V277-P352 HydrophobicContact CG2-CB 4.01Å; V277-P352 HydrophobicContact CG2-CG 3.7Å; P352-V355 PolarHBondContact O-N 3.22Å; P352-G356 PolarHBondContact O-N 2.89Å; P352-P451 WeakPolarHBondContact CG-O 3.38Å; P352-D452 HydrophobicContact CG-CB 4.08Å; P352-F455 HydrophobicContact CB-CB 4.19Å; P352-F455 HydrophobicContact CB-CD2 4.44Å; P352-I456 HydrophobicContact CB-CD1 4.5Å; P352-I456 HydrophobicContact CB-CG1 4.43Å; P352-I456 WeakPolarHBondContact O-CG1 3.39Å
353	K	90.7	Very high	92.2	Very high	118 Å²	118	23.5 Å²	23.5	51%	0.513	14%	0.139	S	C	.	.	H	α-helix	trans	-62.8	-44.3	177.9	-70.2	179.9	-179.4	177.7	0	111.7	C351 G356 S357 F455	C351-K353 VanDerWaalsContact C-N 3.31Å; C351-K353 PolarHBondContact O-N 2.89Å; K353-G356 PolarHBondContact O-N 2.86Å; K353-S357 PolarHBondContact O-N 2.88Å; K353-S357 PolarHBondContact O-OG 3.19Å; K353-F455 HydrophobicContact CD-CD1 4.27Å; K353-F455 HydrophobicContact CG-CB 3.79Å; K353-F455 HydrophobicContact CG-CD1 4.03Å; K353-F455 HydrophobicContact CG-CG 3.88Å
354	A	90.7	Very high	92	Very high	18 Å²	18	26.4 Å²	26.4	15%	0.149	16%	0.159	C	C	.	.	H	α-helix	trans	-63.5	-42.4	177.5	0	0	0	0	0	111.2	T328 C351 S357 R358	T328-A354 HydrophobicContact CG2-CB 4.15Å; C351-A354 HydrophobicContact CB-CB 3.98Å; C351-A354 PolarHBondContact O-N 3.41Å; A354-S357 PolarHBondContact O-N 3.16Å; A354-R358 WeakPolarHBondContact O-CB 3.3Å; A354-R358 PolarHBondContact O-N 3.11Å
355	V	92.4	Very high	91.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-60.2	-48.2	174.9	172.6	0	0	0	0	111.2	V277 A279 T328 V347 C351 P352 R358 I359 I456	V277-V355 HydrophobicContact CB-CG2 4.42Å; V277-V355 HydrophobicContact CG1-CG1 4.36Å; A279-V355 HydrophobicContact CB-CG1 3.82Å; T328-V355 HydrophobicContact CG2-CG2 4.27Å; V347-V355 HydrophobicContact CB-CG1 4.23Å; V347-V355 HydrophobicContact CG1-CB 4.44Å; V347-V355 HydrophobicContact CG1-CG1 3.89Å; V347-V355 HydrophobicContact CG1-CG2 4.36Å; C351-V355 PolarHBondContact O-N 3.23Å; C351-V355 VanDerWaalsContact O-N 3.1Å; P352-V355 PolarHBondContact O-N 3.22Å; V355-R358 WeakPolarHBondContact O-CB 3.47Å; V355-R358 PolarHBondContact O-N 2.65Å; V355-I359 HydrophobicContact CG1-CD1 3.9Å; V355-I359 VanDerWaalsContact O-CG1 3.31Å; V355-I359 WeakPolarHBondContact O-CG1 3.32Å; V355-I359 PolarHBondContact O-N 2.93Å; V355-I456 HydrophobicContact CB-CD1 4.36Å; V355-I456 HydrophobicContact CG1-CD1 4.04Å
356	G	92	Very high	91.7	Very high	6 Å²	6	27.9 Å²	27.9	6%	0.062	17%	0.169	C	C	.	.	H	α-helix	trans	-60.2	-49	178.2	0	0	0	0	0	112.9	P352 K353 R358 I359 K360	P352-G356 PolarHBondContact O-N 2.89Å; K353-G356 PolarHBondContact O-N 2.86Å; G356-R358 VanDerWaalsContact C-N 3.26Å; G356-R358 PolarHBondContact O-N 3.32Å; G356-I359 PolarHBondContact O-N 2.8Å; G356-K360 PolarHBondContact O-N 2.82Å
357	S	91	Very high	91.5	Very high	57 Å²	57	29.1 Å²	29.1	40%	0.399	17%	0.17	S	C	.	.	H	α-helix	trans	-62.3	-34.3	175.7	-59.5	0	0	0	0	112.4	K353 A354 R361	K353-S357 PolarHBondContact O-N 2.88Å; K353-S357 PolarHBondContact O-OG 3.19Å; A354-S357 PolarHBondContact O-N 3.16Å; S357-R361 PolarHBondContact O-N 2.8Å; S357-R361 PolarHBondContact O-NH1 3.26Å
358	R	90.7	Very high	91.3	Very high	1 Å²	1	33.1 Å²	33.1	0%	0.004	20%	0.198	C	C	.	.	H	α-helix	trans	-67.7	-42.4	177.9	-175.7	54.2	177.2	-102.2	12.1	112.2	L317 T320 A321 T328 V330 V347 A354 V355 G356 K360 R361 I362	L317-R358 PolarHBondContact O-NH2 2.82Å; T320-R358 WeakPolarHBondContact O-CD 3.48Å; T320-R358 PolarHBondContact O-NE 3.44Å; T320-R358 PolarHBondContact OG1-NE 3.2Å; T320-R358 PolarHBondContact OG1-NH2 2.82Å; A321-R358 VanDerWaalsContact CA-CZ 3.46Å; T328-R358 PolarHBondContact OG1-NH1 3.18Å; V330-R358 HydrophobicContact CG2-CG 4.03Å; V347-R358 HydrophobicContact CG1-CB 4.46Å; V347-R358 HydrophobicContact CG1-CG 4.23Å; A354-R358 WeakPolarHBondContact O-CB 3.3Å; A354-R358 PolarHBondContact O-N 3.11Å; V355-R358 WeakPolarHBondContact O-CB 3.47Å; V355-R358 PolarHBondContact O-N 2.65Å; G356-R358 VanDerWaalsContact C-N 3.26Å; G356-R358 PolarHBondContact O-N 3.32Å; R358-K360 VanDerWaalsContact C-N 3.34Å; R358-K360 PolarHBondContact O-N 3.23Å; R358-R361 VanDerWaalsContact CA-NH2 3.35Å; R358-R361 PolarHBondContact O-N 3.33Å; R358-I362 HydrophobicContact CG-CD1 3.85Å; R358-I362 WeakPolarHBondContact O-CB 3.23Å; R358-I362 WeakPolarHBondContact O-CD1 3.39Å; R358-I362 VanDerWaalsContact O-CG1 3.23Å; R358-I362 WeakPolarHBondContact O-CG1 3.22Å; R358-I362 PolarHBondContact O-N 3.43Å
359	I	92.9	Very high	90.9	Very high	5 Å²	5	33.9 Å²	33.9	3%	0.026	20%	0.202	C	C	.	.	H	α-helix	trans	-59.7	-45.2	176.8	-67.7	161.9	0	0	0	110.8	A279 L281 V347 V355 G356 R361 I362 I363 F446 L462	A279-I359 HydrophobicContact CB-CD1 3.6Å; L281-I359 HydrophobicContact CD2-CG2 4.17Å; V347-I359 HydrophobicContact CB-CG1 4.23Å; V347-I359 HydrophobicContact CG2-CG1 3.8Å; V355-I359 HydrophobicContact CG1-CD1 3.9Å; V355-I359 VanDerWaalsContact O-CG1 3.31Å; V355-I359 WeakPolarHBondContact O-CG1 3.32Å; V355-I359 PolarHBondContact O-N 2.93Å; G356-I359 PolarHBondContact O-N 2.8Å; I359-R361 PolarHBondContact O-N 3.3Å; I359-I362 WeakPolarHBondContact O-CB 3.46Å; I359-I362 PolarHBondContact O-N 3.16Å; I359-I363 HydrophobicContact CG2-CD1 3.94Å; I359-I363 HydrophobicContact CG2-CG1 4.46Å; I359-I363 WeakPolarHBondContact O-CG1 3.43Å; I359-I363 PolarHBondContact O-N 3.2Å; I359-F446 HydrophobicContact CD1-CE2 4Å; I359-F446 HydrophobicContact CD1-CZ 3.94Å; I359-L462 HydrophobicContact CG2-CD1 4.13Å
360	K	91.6	Very high	90.8	Very high	38 Å²	38	36.9 Å²	36.9	17%	0.165	22%	0.222	C	C	.	.	H	α-helix	trans	-56.2	-51.6	176.2	-72.9	-174.7	168.4	-144.6	0	113.1	G356 R358 I362 I363 S364 E457 L462 E465	G356-K360 PolarHBondContact O-N 2.82Å; R358-K360 VanDerWaalsContact C-N 3.34Å; R358-K360 PolarHBondContact O-N 3.23Å; K360-I362 VanDerWaalsContact C-N 3.26Å; K360-I362 PolarHBondContact O-N 3.43Å; K360-I363 PolarHBondContact O-N 3.3Å; K360-S364 PolarHBondContact O-N 2.72Å; K360-E457 VanDerWaalsContact CE-OE1 3.25Å; K360-E457 WeakPolarHBondContact CE-OE1 3.4Å; K360-E457 WeakPolarHBondContact CE-OE2 3.45Å; K360-E457 IonicContact NZ-OE1 2.7Å; K360-E457 PolarHBondContact NZ-OE1 3.47Å; K360-E457 IonicContact NZ-OE2 3.34Å; K360-E457 PolarHBondContact NZ-OE2 2.7Å; K360-L462 HydrophobicContact CD-CD2 4.27Å; K360-L462 HydrophobicContact CG-CD2 3.44Å; K360-L462 VanDerWaalsContact CG-CD2 3.44Å; K360-E465 WeakPolarHBondContact CB-OE2 3.29Å; K360-E465 WeakPolarHBondContact CD-OE1 3.35Å; K360-E465 WeakPolarHBondContact CE-OE1 3.37Å; K360-E465 WeakPolarHBondContact CG-OE2 3.36Å; K360-E465 IonicContact NZ-OE1 3.87Å; K360-E465 PolarHBondContact NZ-OE1 3.02Å
361	R	90.7	Very high	90.8	Very high	72 Å²	72	34.7 Å²	34.7	27%	0.272	20%	0.203	S	C	.	.	H	α-helix	trans	-59.1	-39.7	177.3	-73.6	-169.2	-63.6	-78.7	-8.2	111.9	T320 D325 S357 R358 I359 S364 V365	T320-R361 PolarHBondContact O-NE 2.59Å; D325-R361 IonicContact OD1-CZ 2.7Å; D325-R361 IonicContact OD1-NH2 3.59Å; D325-R361 PolarHBondContact OD1-NH2 2.63Å; D325-R361 IonicContact OD2-CZ 2.86Å; D325-R361 IonicContact OD2-NE 2.76Å; D325-R361 IonicContact OD2-NH2 2.77Å; D325-R361 PolarHBondContact OD2-NH2 2.97Å; S357-R361 PolarHBondContact O-N 2.8Å; S357-R361 PolarHBondContact O-NH1 3.26Å; R358-R361 VanDerWaalsContact CA-NH2 3.35Å; R358-R361 PolarHBondContact O-N 3.33Å; I359-R361 PolarHBondContact O-N 3.3Å; R361-S364 PolarHBondContact O-N 3.12Å; R361-V365 WeakPolarHBondContact O-CB 3.39Å; R361-V365 WeakPolarHBondContact O-CG2 3.37Å; R361-V365 PolarHBondContact O-N 2.96Å
362	I	92.2	Very high	90.8	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.021	21%	0.205	C	C	.	.	H	α-helix	trans	-61.9	-48.5	176.5	-72.5	165.2	0	0	0	110.8	L317 T320 V330 I345 V347 R358 I359 K360 S364 V365 L366	L317-I362 HydrophobicContact CD2-CG1 4.36Å; L317-I362 HydrophobicContact CD2-CG2 3.95Å; T320-I362 HydrophobicContact CG2-CG1 4.24Å; T320-I362 WeakPolarHBondContact OG1-CG1 3.1Å; V330-I362 HydrophobicContact CB-CD1 4.45Å; V330-I362 HydrophobicContact CG1-CD1 3.59Å; V330-I362 HydrophobicContact CG2-CD1 3.94Å; I345-I362 HydrophobicContact CD1-CG2 3.23Å; I345-I362 HydrophobicContact CG2-CD1 4.32Å; I345-I362 HydrophobicContact CG2-CG2 4.43Å; V347-I362 HydrophobicContact CG2-CD1 3.9Å; R358-I362 HydrophobicContact CG-CD1 3.85Å; R358-I362 WeakPolarHBondContact O-CB 3.23Å; R358-I362 WeakPolarHBondContact O-CD1 3.39Å; R358-I362 VanDerWaalsContact O-CG1 3.23Å; R358-I362 WeakPolarHBondContact O-CG1 3.22Å; R358-I362 PolarHBondContact O-N 3.43Å; I359-I362 WeakPolarHBondContact O-CB 3.46Å; I359-I362 PolarHBondContact O-N 3.16Å; K360-I362 VanDerWaalsContact C-N 3.26Å; K360-I362 PolarHBondContact O-N 3.43Å; I362-S364 PolarHBondContact O-N 2.99Å; I362-V365 PolarHBondContact O-N 3.31Å; I362-L366 HydrophobicContact CG2-CD1 4.01Å; I362-L366 HydrophobicContact CG2-CG 4.29Å; I362-L366 VanDerWaalsContact O-CG 3.28Å; I362-L366 WeakPolarHBondContact O-CG 3.31Å; I362-L366 PolarHBondContact O-N 2.86Å
363	I	92.2	Very high	90.9	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-58.4	-48.7	178.1	-66.2	167.6	0	0	0	110.4	L281 W283 I359 K360 V365 L366 R367 L462	L281-I363 HydrophobicContact CD2-CD1 3.63Å; L281-I363 HydrophobicContact CD2-CG1 3.74Å; W283-I363 HydrophobicContact CH2-CG1 4.45Å; I359-I363 HydrophobicContact CG2-CD1 3.94Å; I359-I363 HydrophobicContact CG2-CG1 4.46Å; I359-I363 WeakPolarHBondContact O-CG1 3.43Å; I359-I363 PolarHBondContact O-N 3.2Å; K360-I363 PolarHBondContact O-N 3.3Å; I363-V365 VanDerWaalsContact C-N 3.34Å; I363-V365 PolarHBondContact O-N 3.34Å; I363-L366 PolarHBondContact O-N 3.38Å; I363-R367 WeakPolarHBondContact O-CG 3.3Å; I363-R367 PolarHBondContact O-N 2.74Å; I363-L462 HydrophobicContact CD1-CB 3.94Å; I363-L462 WeakPolarHBondContact CD1-O 3.25Å
364	S	90.9	Very high	90.9	Very high	62 Å²	62	40.2 Å²	40.2	43%	0.434	23%	0.228	S	C	.	.	H	α-helix	trans	-57.9	-44.2	178	179.5	0	0	0	0	112.3	K360 R361 I362 R367 S368	K360-S364 PolarHBondContact O-N 2.72Å; R361-S364 PolarHBondContact O-N 3.12Å; I362-S364 PolarHBondContact O-N 2.99Å; S364-R367 PolarHBondContact O-N 3.35Å; S364-S368 WeakPolarHBondContact O-CB 3.44Å; S364-S368 PolarHBondContact O-N 3.31Å; S364-S368 VanDerWaalsContact O-N 3.07Å; S364-S368 PolarHBondContact O-OG 3.09Å
365	V	90.3	Very high	90.8	Very high	36 Å²	36	41.1 Å²	41.1	22%	0.218	23%	0.231	C	C	.	.	H	α-helix	trans	-67.7	-41.8	177.8	167.9	0	0	0	0	111.9	L316 T320 R361 I362 I363 R367 S368 S369	L316-V365 HydrophobicContact CD1-CG1 3.5Å; L316-V365 HydrophobicContact CD2-CG1 3.99Å; L316-V365 HydrophobicContact CG-CG1 3.5Å; T320-V365 HydrophobicContact CG2-CB 3.91Å; T320-V365 HydrophobicContact CG2-CG1 4.22Å; T320-V365 HydrophobicContact CG2-CG2 3.63Å; R361-V365 WeakPolarHBondContact O-CB 3.39Å; R361-V365 WeakPolarHBondContact O-CG2 3.37Å; R361-V365 PolarHBondContact O-N 2.96Å; I362-V365 PolarHBondContact O-N 3.31Å; I363-V365 VanDerWaalsContact C-N 3.34Å; I363-V365 PolarHBondContact O-N 3.34Å; V365-R367 VanDerWaalsContact C-N 3.28Å; V365-R367 PolarHBondContact O-N 2.83Å; V365-S368 PolarHBondContact O-N 3.22Å; V365-S368 PolarHBondContact O-OG 2.96Å; V365-S369 WeakPolarHBondContact O-CA 3.25Å; V365-S369 WeakPolarHBondContact O-CB 3.31Å; V365-S369 PolarHBondContact O-N 3.21Å; V365-S369 PolarHBondContact O-OG 3.46Å
366	L	91.5	Very high	90.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64.8	-31.6	177.5	-69.5	176.6	0	0	0	113.1	W283 L299 I345 I362 I363 L435 V439	W283-L366 HydrophobicContact CH2-CD1 4.28Å; W283-L366 HydrophobicContact CZ3-CD1 4.38Å; L299-L366 HydrophobicContact CD1-CD2 4.05Å; L299-L366 HydrophobicContact CD2-CD2 3.55Å; L299-L366 HydrophobicContact CG-CD2 4.48Å; I345-L366 HydrophobicContact CD1-CD1 3.38Å; I345-L366 HydrophobicContact CD1-CD2 4.46Å; I345-L366 HydrophobicContact CD1-CG 4.28Å; I362-L366 HydrophobicContact CG2-CD1 4.01Å; I362-L366 HydrophobicContact CG2-CG 4.29Å; I362-L366 VanDerWaalsContact O-CG 3.28Å; I362-L366 WeakPolarHBondContact O-CG 3.31Å; I362-L366 PolarHBondContact O-N 2.86Å; I363-L366 PolarHBondContact O-N 3.38Å; L366-L435 HydrophobicContact CD2-CD1 4.49Å; L366-V439 HydrophobicContact CB-CG1 3.77Å; L366-V439 HydrophobicContact CB-CG2 4.17Å; L366-V439 HydrophobicContact CD1-CG1 4.44Å; L366-V439 HydrophobicContact CD1-CG2 4.23Å
367	R	91.1	Very high	90.7	Very high	42 Å²	42	47.5 Å²	47.5	16%	0.158	25%	0.254	C	S	.	.	H	α-helix	trans	-80.2	-30.1	178.8	-72.8	-178.8	172.3	-175.9	-3	113.4	I363 S364 V365 V439 M440 L463 E465	I363-R367 WeakPolarHBondContact O-CG 3.3Å; I363-R367 PolarHBondContact O-N 2.74Å; S364-R367 PolarHBondContact O-N 3.35Å; V365-R367 VanDerWaalsContact C-N 3.28Å; V365-R367 PolarHBondContact O-N 2.83Å; R367-V439 HydrophobicContact CG-CG1 3.57Å; R367-V439 PolarHBondContact NE-O 3.24Å; R367-M440 HydrophobicContact CB-CE 3.95Å; R367-M440 HydrophobicContact CB-SD 4.5Å; R367-M440 HydrophobicContact CG-CE 4.2Å; R367-M440 HydrophobicContact CG-SD 4.14Å; R367-M440 WeakPolarHBondContact O-CE 3.49Å; R367-L463 PolarHBondContact NH1-O 3.01Å; R367-L463 PolarHBondContact NH2-O 2.77Å; R367-L463 VanDerWaalsContact NH2-O 3.1Å; R367-E465 PolarHBondContact NH1-OXT 3.16Å
368	S	88.9	Confident	90.7	Very high	88 Å²	88	48.7 Å²	48.7	62%	0.615	25%	0.254	S	S	*	.	H	α-helix	trans	-98	-25.6	-175.5	58.1	0	0	0	0	114	S364 V365	S364-S368 WeakPolarHBondContact O-CB 3.44Å; S364-S368 PolarHBondContact O-N 3.31Å; S364-S368 VanDerWaalsContact O-N 3.07Å; S364-S368 PolarHBondContact O-OG 3.09Å; V365-S368 PolarHBondContact O-N 3.22Å; V365-S368 PolarHBondContact O-OG 2.96Å
369	S	86	Confident	90.7	Very high	32 Å²	32	48.8 Å²	48.8	22%	0.224	25%	0.254	C	S	.	.			trans	-104.2	142.9	-172.6	-56.1	0	0	0	0	111.6	V365	V365-S369 WeakPolarHBondContact O-CA 3.25Å; V365-S369 WeakPolarHBondContact O-CB 3.31Å; V365-S369 PolarHBondContact O-N 3.21Å; V365-S369 PolarHBondContact O-OG 3.46Å
370	S	88.3	Confident	90.7	Very high	67 Å²	67	50 Å²	50	47%	0.469	26%	0.26	S	S	.	.			trans	-114.9	155.5	170.4	-66.9	0	0	0	0	110.1
371	F	90.9	Very high	90.7	Very high	9 Å²	9	53.5 Å²	53.5	4%	0.039	28%	0.276	C	S	.	.			trans	-72.3	145.6	175	-59.6	-61.3	0	0	0	111	I295 A298 L299 L316 N375 V431 N432 L435	I295-F371 HydrophobicContact CG1-CE2 4.33Å; I295-F371 HydrophobicContact CG2-CE2 4.22Å; I295-F371 HydrophobicContact CG2-CZ 4.29Å; A298-F371 HydrophobicContact CB-CD1 3.77Å; A298-F371 HydrophobicContact CB-CD2 4.44Å; A298-F371 HydrophobicContact CB-CE1 3.6Å; A298-F371 HydrophobicContact CB-CE2 4.27Å; A298-F371 HydrophobicContact CB-CG 4.2Å; A298-F371 HydrophobicContact CB-CZ 3.88Å; L299-F371 HydrophobicContact CD1-CZ 4.48Å; L299-F371 HydrophobicContact CD2-CE1 3.73Å; L299-F371 HydrophobicContact CD2-CZ 3.65Å; L299-F371 HydrophobicContact CG-CE1 4.05Å; L299-F371 HydrophobicContact CG-CZ 3.69Å; L316-F371 HydrophobicContact CD2-CE1 4.14Å; F371-N375 HydrophobicContact CB-CB 4.15Å; F371-N375 HydrophobicContact CD1-CB 4.26Å; F371-V431 HydrophobicContact CD2-CG1 3.88Å; F371-V431 HydrophobicContact CE2-CG1 4.19Å; F371-N432 WeakPolarHBondContact CB-OD1 3.33Å; F371-N432 WeakPolarHBondContact CD2-OD1 3.49Å; F371-N432 PolarHBondContact N-OD1 2.97Å; F371-N432 PolarHBondContact O-ND2 3.04Å; F371-N432 VanDerWaalsContact O-ND2 3.16Å; F371-L435 HydrophobicContact CD2-CD2 4.33Å; F371-L435 HydrophobicContact CE2-CD2 3.59Å; F371-L435 HydrophobicContact CZ-CD2 3.85Å
372	T	91.9	Very high	90.7	Very high	74 Å²	74	51.2 Å²	51.2	45%	0.454	27%	0.27	S	S	.	.			trans	-89.9	166	169.9	71.5	0	0	0	0	111.1	E374 N375 L376 L428	T372-E374 PolarHBondContact O-N 3.07Å; T372-E374 PolarHBondContact OG1-N 2.7Å; T372-N375 PolarHBondContact N-OD1 3Å; T372-N375 WeakPolarHBondContact O-CB 3.41Å; T372-N375 PolarHBondContact O-N 3.06Å; T372-N375 VanDerWaalsContact O-N 3.12Å; T372-N375 PolarHBondContact OG1-N 3.48Å; T372-N375 PolarHBondContact OG1-OD1 2.85Å; T372-L376 PolarHBondContact O-N 2.83Å; T372-L428 WeakPolarHBondContact O-CD1 3.42Å
373	E	91.9	Very high	90.7	Very high	153 Å²	153	52 Å²	52	72%	0.715	28%	0.275	S	S	*	.	H	α-helix	trans	-58.3	-34.1	174.7	-67.9	-174.9	175.8	0	0	112.6	L376 R377 L428	E373-L376 PolarHBondContact O-N 2.8Å; E373-R377 WeakPolarHBondContact O-CB 3.4Å; E373-R377 PolarHBondContact O-N 2.92Å; E373-L428 HydrophobicContact CG-CD1 4.28Å
374	E	90.1	Very high	90.7	Very high	80 Å²	80	54.2 Å²	54.2	37%	0.374	28%	0.284	S	S	.	.	H	α-helix	trans	-67.7	-41.3	176.3	-179.9	56.3	-161.9	0	0	111.6	T372 L376 R377 Q378	T372-E374 PolarHBondContact O-N 3.07Å; T372-E374 PolarHBondContact OG1-N 2.7Å; E374-L376 VanDerWaalsContact C-N 3.31Å; E374-L376 PolarHBondContact O-N 2.79Å; E374-R377 VanDerWaalsContact CD-NH2 3.3Å; E374-R377 PolarHBondContact O-N 2.88Å; E374-R377 IonicContact OE1-CZ 2.76Å; E374-R377 IonicContact OE1-NE 2.81Å; E374-R377 IonicContact OE1-NH2 2.59Å; E374-R377 PolarHBondContact OE1-NH2 3.48Å; E374-R377 IonicContact OE2-CZ 2.76Å; E374-R377 IonicContact OE2-NE 3.71Å; E374-R377 PolarHBondContact OE2-NE 3Å; E374-R377 IonicContact OE2-NH2 2.65Å; E374-R377 PolarHBondContact OE2-NH2 3.14Å; E374-Q378 WeakPolarHBondContact O-CG 3.36Å; E374-Q378 PolarHBondContact O-N 2.85Å; E374-Q378 PolarHBondContact OE1-NE2 3.49Å
375	N	88.6	Confident	90.7	Very high	38 Å²	38	52.7 Å²	52.7	20%	0.203	28%	0.275	C	S	.	.	H	α-helix	trans	-59.9	-44.4	173.5	-66.7	103.8	0	0	0	111	F371 T372 Q378 A379	F371-N375 HydrophobicContact CB-CB 4.15Å; F371-N375 HydrophobicContact CD1-CB 4.26Å; T372-N375 PolarHBondContact N-OD1 3Å; T372-N375 WeakPolarHBondContact O-CB 3.41Å; T372-N375 PolarHBondContact O-N 3.06Å; T372-N375 VanDerWaalsContact O-N 3.12Å; T372-N375 PolarHBondContact OG1-N 3.48Å; T372-N375 PolarHBondContact OG1-OD1 2.85Å; N375-Q378 PolarHBondContact O-N 3.38Å; N375-A379 VanDerWaalsContact O-CB 3.27Å; N375-A379 WeakPolarHBondContact O-CB 3.4Å; N375-A379 PolarHBondContact O-N 2.97Å
376	L	91.7	Very high	90.7	Very high	16 Å²	16	53.5 Å²	53.5	8%	0.084	28%	0.278	C	S	.	.	H	α-helix	trans	-64.9	-43.1	178.9	179.7	63.9	0	0	0	111.8	L294 T372 E373 E374 Q378 A379 K380 L428 V431	L294-L376 HydrophobicContact CD1-CD1 4.38Å; T372-L376 PolarHBondContact O-N 2.83Å; E373-L376 PolarHBondContact O-N 2.8Å; E374-L376 VanDerWaalsContact C-N 3.31Å; E374-L376 PolarHBondContact O-N 2.79Å; L376-Q378 PolarHBondContact O-N 3.38Å; L376-A379 PolarHBondContact O-N 3.22Å; L376-K380 HydrophobicContact CD1-CG 4.33Å; L376-K380 HydrophobicContact CG-CD 4.37Å; L376-K380 HydrophobicContact CG-CG 4.47Å; L376-K380 WeakPolarHBondContact O-CB 3.21Å; L376-K380 WeakPolarHBondContact O-CG 3.42Å; L376-K380 PolarHBondContact O-N 3.24Å; L376-L428 HydrophobicContact CB-CD1 3.96Å; L376-L428 HydrophobicContact CD2-CB 3.98Å; L376-L428 HydrophobicContact CD2-CD1 4.1Å; L376-V431 HydrophobicContact CD1-CG2 4.05Å
377	R	92.1	Very high	90.6	Very high	123 Å²	123	54.6 Å²	54.6	46%	0.464	28%	0.284	S	S	.	.	H	α-helix	trans	-59.8	-46.3	178.1	-170.8	-177.3	71.8	92.3	3.8	111.3	E373 E374 K380 Q381	E373-R377 WeakPolarHBondContact O-CB 3.4Å; E373-R377 PolarHBondContact O-N 2.92Å; E374-R377 VanDerWaalsContact CD-NH2 3.3Å; E374-R377 PolarHBondContact O-N 2.88Å; E374-R377 IonicContact OE1-CZ 2.76Å; E374-R377 IonicContact OE1-NE 2.81Å; E374-R377 IonicContact OE1-NH2 2.59Å; E374-R377 PolarHBondContact OE1-NH2 3.48Å; E374-R377 IonicContact OE2-CZ 2.76Å; E374-R377 IonicContact OE2-NE 3.71Å; E374-R377 PolarHBondContact OE2-NE 3Å; E374-R377 IonicContact OE2-NH2 2.65Å; E374-R377 PolarHBondContact OE2-NH2 3.14Å; R377-K380 PolarHBondContact O-N 2.86Å; R377-Q381 WeakPolarHBondContact O-CG 3.21Å; R377-Q381 PolarHBondContact O-N 3.36Å; R377-Q381 VanDerWaalsContact O-N 3.09Å
378	Q	89.9	Confident	90.5	Very high	83 Å²	83	57.1 Å²	57.1	39%	0.388	30%	0.299	S	S	.	.	H	α-helix	trans	-65.1	-40.7	175.9	-69.3	179.3	9.4	0	0	112.1	E374 N375 L376 Q381 T382	E374-Q378 WeakPolarHBondContact O-CG 3.36Å; E374-Q378 PolarHBondContact O-N 2.85Å; E374-Q378 PolarHBondContact OE1-NE2 3.49Å; N375-Q378 PolarHBondContact O-N 3.38Å; L376-Q378 PolarHBondContact O-N 3.38Å; Q378-Q381 PolarHBondContact O-N 3.11Å; Q378-T382 WeakPolarHBondContact O-CB 3.35Å; Q378-T382 PolarHBondContact O-N 3.35Å; Q378-T382 PolarHBondContact O-OG1 2.96Å
379	A	91.1	Very high	90.6	Very high	2 Å²	2	58.7 Å²	58.7	2%	0.017	30%	0.295	C	S	.	.	H	α-helix	trans	-63.5	-43.6	177	0	0	0	0	0	111.9	L294 C297 A298 N375 L376 T382 L383	L294-A379 HydrophobicContact CD2-CB 4.39Å; C297-A379 HydrophobicContact CB-CB 3.97Å; A298-A379 HydrophobicContact CB-CB 3.82Å; N375-A379 VanDerWaalsContact O-CB 3.27Å; N375-A379 WeakPolarHBondContact O-CB 3.4Å; N375-A379 PolarHBondContact O-N 2.97Å; L376-A379 PolarHBondContact O-N 3.22Å; A379-T382 PolarHBondContact O-N 3.38Å; A379-L383 WeakPolarHBondContact O-CB 3.41Å; A379-L383 PolarHBondContact O-N 2.86Å
380	K	93.5	Very high	90.7	Very high	32 Å²	32	64.3 Å²	64.3	14%	0.139	31%	0.311	C	S	.	.	H	α-helix	trans	-58.2	-49.6	173.9	-75.3	-179.1	-179.9	-175.3	0	110.8	L294 L376 R377 T382 L383 K384 L423 D424 V426	L294-K380 HydrophobicContact CD2-CB 4.31Å; L294-K380 HydrophobicContact CD2-CG 3.71Å; L376-K380 HydrophobicContact CD1-CG 4.33Å; L376-K380 HydrophobicContact CG-CD 4.37Å; L376-K380 HydrophobicContact CG-CG 4.47Å; L376-K380 WeakPolarHBondContact O-CB 3.21Å; L376-K380 WeakPolarHBondContact O-CG 3.42Å; L376-K380 PolarHBondContact O-N 3.24Å; R377-K380 PolarHBondContact O-N 2.86Å; K380-T382 VanDerWaalsContact C-N 3.34Å; K380-T382 PolarHBondContact O-N 2.75Å; K380-L383 PolarHBondContact O-N 2.83Å; K380-K384 WeakPolarHBondContact O-CB 3.26Å; K380-K384 WeakPolarHBondContact O-CG 3.44Å; K380-K384 PolarHBondContact O-N 3.15Å; K380-L423 WeakPolarHBondContact CE-O 3.48Å; K380-D424 PolarHBondContact NZ-O 2.9Å; K380-V426 VanDerWaalsContact CE-O 3.28Å; K380-V426 WeakPolarHBondContact CE-O 3.34Å; K380-V426 PolarHBondContact NZ-O 2.94Å
381	Q	91.7	Very high	90.6	Very high	111 Å²	111	62.8 Å²	62.8	52%	0.519	30%	0.295	S	S	.	.	H	α-helix	trans	-61.2	-42.2	178.5	-71.9	177.6	-13.2	0	0	112.5	R377 Q378 A385	R377-Q381 WeakPolarHBondContact O-CG 3.21Å; R377-Q381 PolarHBondContact O-N 3.36Å; R377-Q381 VanDerWaalsContact O-N 3.09Å; Q378-Q381 PolarHBondContact O-N 3.11Å; Q381-A385 WeakPolarHBondContact O-CB 3.44Å; Q381-A385 PolarHBondContact O-N 3.06Å
382	T	90	Very high	90.4	Very high	23 Å²	23	69.6 Å²	69.6	14%	0.141	33%	0.327	C	S	.	.	H	α-helix	trans	-65.8	-50.3	179.3	-56.2	0	0	0	0	111.2	Q378 A379 K380 K384 A385 D386	Q378-T382 WeakPolarHBondContact O-CB 3.35Å; Q378-T382 PolarHBondContact O-N 3.35Å; Q378-T382 PolarHBondContact O-OG1 2.96Å; A379-T382 PolarHBondContact O-N 3.38Å; K380-T382 VanDerWaalsContact C-N 3.34Å; K380-T382 PolarHBondContact O-N 2.75Å; T382-K384 VanDerWaalsContact C-N 3.32Å; T382-K384 PolarHBondContact O-N 2.74Å; T382-A385 PolarHBondContact O-N 3Å; T382-D386 PolarHBondContact O-N 3.42Å
383	L	91.7	Very high	90.2	Very high	21 Å²	21	68.8 Å²	68.8	11%	0.11	32%	0.32	C	S	.	.	H	α-helix	trans	-62.9	-39.8	180	-176	60.2	0	0	0	111.8	L294 A379 K380 D386 L387 L423	L294-L383 HydrophobicContact CD2-CB 4.34Å; L294-L383 HydrophobicContact CD2-CD2 3.78Å; L294-L383 HydrophobicContact CG-CD2 3.86Å; A379-L383 WeakPolarHBondContact O-CB 3.41Å; A379-L383 PolarHBondContact O-N 2.86Å; K380-L383 PolarHBondContact O-N 2.83Å; L383-D386 PolarHBondContact O-N 3.05Å; L383-L387 HydrophobicContact CD1-CG 4.34Å; L383-L387 HydrophobicContact CG-CD1 4.24Å; L383-L387 HydrophobicContact CG-CG 4.46Å; L383-L387 WeakPolarHBondContact O-CB 3.23Å; L383-L387 VanDerWaalsContact O-CG 3.29Å; L383-L387 WeakPolarHBondContact O-CG 2.96Å; L383-L387 PolarHBondContact O-N 2.6Å; L383-L423 HydrophobicContact CB-CD1 4.2Å; L383-L423 HydrophobicContact CD2-CD1 3.79Å; L383-L423 HydrophobicContact CD2-CD2 3.71Å; L383-L423 HydrophobicContact CD2-CG 4.42Å; L383-L423 HydrophobicContact CG-CD1 3.8Å
384	K	92.6	Very high	89.9	Confident	47 Å²	47	62.8 Å²	62.8	20%	0.204	29%	0.294	C	S	.	.	H	α-helix	trans	-60.1	-46.7	174.1	-74.5	179.7	173.7	-171.8	0	111.9	K380 T382 L387 M388 V420 L423 D424	K380-K384 WeakPolarHBondContact O-CB 3.26Å; K380-K384 WeakPolarHBondContact O-CG 3.44Å; K380-K384 PolarHBondContact O-N 3.15Å; T382-K384 VanDerWaalsContact C-N 3.32Å; T382-K384 PolarHBondContact O-N 2.74Å; K384-L387 PolarHBondContact O-N 3.1Å; K384-M388 WeakPolarHBondContact O-CB 3.28Å; K384-M388 VanDerWaalsContact O-CG 3.22Å; K384-M388 WeakPolarHBondContact O-CG 3.45Å; K384-M388 PolarHBondContact O-N 3.12Å; K384-V420 HydrophobicContact CD-CG1 4.18Å; K384-V420 WeakPolarHBondContact CE-O 3.45Å; K384-V420 HydrophobicContact CG-CG1 4.01Å; K384-L423 HydrophobicContact CG-CD1 3.67Å; K384-D424 VanDerWaalsContact CE-OD1 3.29Å; K384-D424 WeakPolarHBondContact CE-OD1 3.4Å; K384-D424 IonicContact NZ-OD1 3.46Å; K384-D424 PolarHBondContact NZ-OD1 3.26Å; K384-D424 IonicContact NZ-OD2 3.79Å; K384-D424 PolarHBondContact NZ-OD2 3.21Å
385	A	90.9	Very high	89.8	Confident	30 Å²	30	60.6 Å²	60.6	25%	0.248	29%	0.285	C	S	.	.	H	α-helix	trans	-61	-47	177.1	0	0	0	0	0	110.9	Q381 T382 L387 M388 F389	Q381-A385 WeakPolarHBondContact O-CB 3.44Å; Q381-A385 PolarHBondContact O-N 3.06Å; T382-A385 PolarHBondContact O-N 3Å; A385-L387 PolarHBondContact O-N 2.77Å; A385-M388 PolarHBondContact O-N 3.33Å; A385-F389 HydrophobicContact CB-CD2 4.38Å; A385-F389 HydrophobicContact CB-CE2 4.02Å; A385-F389 WeakPolarHBondContact O-CB 3.44Å; A385-F389 WeakPolarHBondContact O-CD2 3.28Å; A385-F389 WeakPolarHBondContact O-CG 3.3Å; A385-F389 PolarHBondContact O-N 3.08Å
386	D	89.5	Confident	89.9	Confident	52 Å²	52	65.3 Å²	65.3	28%	0.278	30%	0.301	S	S	.	.	H	α-helix	trans	-61.7	-41.5	179.5	-70.4	-14.1	0	0	0	112.3	T382 L383 R390	T382-D386 PolarHBondContact O-N 3.42Å; L383-D386 PolarHBondContact O-N 3.05Å; D386-R390 WeakPolarHBondContact O-CG 3.35Å; D386-R390 PolarHBondContact O-N 2.78Å; D386-R390 VanDerWaalsContact O-N 3.09Å
387	L	89.8	Confident	89.7	Confident	23 Å²	23	65.3 Å²	65.3	12%	0.12	30%	0.302	C	S	.	.	H	α-helix	trans	-63.9	-47.8	174.7	-72.8	175	0	0	0	111.4	L383 K384 A385 F389 R390 Y391 V419 V420 L423	L383-L387 HydrophobicContact CD1-CG 4.34Å; L383-L387 HydrophobicContact CG-CD1 4.24Å; L383-L387 HydrophobicContact CG-CG 4.46Å; L383-L387 WeakPolarHBondContact O-CB 3.23Å; L383-L387 VanDerWaalsContact O-CG 3.29Å; L383-L387 WeakPolarHBondContact O-CG 2.96Å; L383-L387 PolarHBondContact O-N 2.6Å; K384-L387 PolarHBondContact O-N 3.1Å; A385-L387 PolarHBondContact O-N 2.77Å; L387-F389 PolarHBondContact O-N 2.79Å; L387-R390 WeakPolarHBondContact O-CB 3.5Å; L387-R390 PolarHBondContact O-N 2.97Å; L387-R390 VanDerWaalsContact O-N 3.14Å; L387-Y391 HydrophobicContact CB-CD2 4.37Å; L387-Y391 HydrophobicContact CB-CE2 4.17Å; L387-Y391 HydrophobicContact CD2-CE2 4.45Å; L387-Y391 WeakPolarHBondContact O-CD2 3.1Å; L387-Y391 PolarHBondContact O-N 2.92Å; L387-V419 HydrophobicContact CD1-CG1 4.08Å; L387-V420 HydrophobicContact CB-CG2 4.39Å; L387-V420 HydrophobicContact CD1-CG2 4.41Å; L387-L423 HydrophobicContact CD1-CD1 3.79Å
388	M	90	Very high	89.7	Confident	96 Å²	96	59.4 Å²	59.4	47%	0.473	28%	0.28	S	S	.	.	H	α-helix	trans	-63.6	-39.8	-180	-68.4	-64	-119.7	0	0	112.1	K384 A385 R390 Y391 E392 V420	K384-M388 WeakPolarHBondContact O-CB 3.28Å; K384-M388 VanDerWaalsContact O-CG 3.22Å; K384-M388 WeakPolarHBondContact O-CG 3.45Å; K384-M388 PolarHBondContact O-N 3.12Å; A385-M388 PolarHBondContact O-N 3.33Å; M388-R390 VanDerWaalsContact C-N 3.31Å; M388-R390 PolarHBondContact O-N 3.33Å; M388-Y391 PolarHBondContact O-N 2.71Å; M388-E392 PolarHBondContact O-N 3.38Å; M388-V420 HydrophobicContact CG-CG2 4.3Å; M388-V420 HydrophobicContact SD-CG2 4.04Å
389	F	89.8	Confident	89.8	Confident	120 Å²	120	56.6 Å²	56.6	53%	0.526	27%	0.269	S	S	.	.	H	α-helix	trans	-64.3	-34	173.8	-70.3	-46.2	0	0	0	112.7	A385 L387 E392	A385-F389 HydrophobicContact CB-CD2 4.38Å; A385-F389 HydrophobicContact CB-CE2 4.02Å; A385-F389 WeakPolarHBondContact O-CB 3.44Å; A385-F389 WeakPolarHBondContact O-CD2 3.28Å; A385-F389 WeakPolarHBondContact O-CG 3.3Å; A385-F389 PolarHBondContact O-N 3.08Å; L387-F389 PolarHBondContact O-N 2.79Å; F389-E392 WeakPolarHBondContact O-CB 3.3Å
390	R	88.5	Confident	89.7	Confident	150 Å²	150	58.8 Å²	58.8	57%	0.566	28%	0.28	S	S	*	.	H	α-helix	trans	-67.3	-44.9	172.7	-72.9	176.2	-172.9	177.8	5.2	111.3	D386 L387 M388 E392 N393 Y396	D386-R390 WeakPolarHBondContact O-CG 3.35Å; D386-R390 PolarHBondContact O-N 2.78Å; D386-R390 VanDerWaalsContact O-N 3.09Å; L387-R390 WeakPolarHBondContact O-CB 3.5Å; L387-R390 PolarHBondContact O-N 2.97Å; L387-R390 VanDerWaalsContact O-N 3.14Å; M388-R390 VanDerWaalsContact C-N 3.31Å; M388-R390 PolarHBondContact O-N 3.33Å; R390-E392 PolarHBondContact O-N 3.05Å; R390-N393 PolarHBondContact O-N 3.31Å; R390-Y396 WeakPolarHBondContact O-CD2 3.45Å
391	Y	87.3	Confident	89.5	Confident	35 Å²	35	57.4 Å²	57.4	14%	0.137	27%	0.274	C	S	.	.	H	α-helix	trans	-71.2	-13.9	-179.2	-66.6	-51.7	0	0	0	114.2	L387 M388 N393 S397 D400 P416	L387-Y391 HydrophobicContact CB-CD2 4.37Å; L387-Y391 HydrophobicContact CB-CE2 4.17Å; L387-Y391 HydrophobicContact CD2-CE2 4.45Å; L387-Y391 WeakPolarHBondContact O-CD2 3.1Å; L387-Y391 PolarHBondContact O-N 2.92Å; M388-Y391 PolarHBondContact O-N 2.71Å; Y391-N393 PolarHBondContact O-N 3.15Å; Y391-S397 WeakPolarHBondContact CD1-OG 3.27Å; Y391-S397 PolarHBondContact O-OG 2.9Å; Y391-D400 WeakPolarHBondContact CE1-OD2 3.21Å; Y391-D400 PolarHBondContact OH-OD2 2.87Å; Y391-P416 HydrophobicContact CD1-CB 4.11Å; Y391-P416 HydrophobicContact CD1-CG 3.83Å; Y391-P416 HydrophobicContact CD2-CB 3.54Å; Y391-P416 HydrophobicContact CD2-CG 4.19Å; Y391-P416 HydrophobicContact CE1-CB 4.2Å; Y391-P416 HydrophobicContact CE1-CG 3.85Å; Y391-P416 HydrophobicContact CE2-CB 3.61Å; Y391-P416 HydrophobicContact CE2-CG 4.19Å; Y391-P416 HydrophobicContact CG-CB 3.79Å; Y391-P416 HydrophobicContact CG-CG 4Å
392	E	86.1	Confident	89.5	Confident	152 Å²	152	52.1 Å²	52.1	71%	0.71	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-34.3	169.6	-171.6	177.5	-175.5	0	0	112	M388 F389 R390 P394	M388-E392 PolarHBondContact O-N 3.38Å; F389-E392 WeakPolarHBondContact O-CB 3.3Å; R390-E392 PolarHBondContact O-N 3.05Å; E392-P394 WeakPolarHBondContact O-CD 3.43Å
393	N	87.3	Confident	89.5	Confident	57 Å²	57	52.2 Å²	52.2	31%	0.305	25%	0.25	S	C	.	.	S	Bend	trans	-85.6	113	169.3	176.3	-2.2	0	0	0	109.5	R390 Y391 L395 Y396	R390-N393 PolarHBondContact O-N 3.31Å; Y391-N393 PolarHBondContact O-N 3.15Å; N393-L395 PolarHBondContact O-N 2.84Å; N393-L395 VanDerWaalsContact O-N 3.12Å; N393-L395 WeakPolarHBondContact OD1-CB 3.34Å; N393-L395 PolarHBondContact OD1-N 2.68Å; N393-Y396 HydrophobicContact CB-CD2 3.71Å; N393-Y396 HydrophobicContact CB-CE2 4.19Å; N393-Y396 PolarHBondContact O-N 3.09Å
394	P	85.4	Confident	89.3	Confident	27 Å²	27	53.8 Å²	53.8	18%	0.175	26%	0.258	C	S	.	.	H	α-helix	trans	-63.3	-26.1	-174.3	28.3	-37.5	0	0	0	112.6	I227 E392 Y396 S397 L398	I227-P394 HydrophobicContact CD1-CB 3.86Å; I227-P394 HydrophobicContact CD1-CG 4.44Å; I227-P394 WeakPolarHBondContact CD1-O 3.4Å; I227-P394 HydrophobicContact CG1-CB 4.45Å; I227-P394 HydrophobicContact CG2-CB 4.28Å; E392-P394 WeakPolarHBondContact O-CD 3.43Å; P394-Y396 VanDerWaalsContact C-N 3.3Å; P394-Y396 PolarHBondContact O-N 2.92Å; P394-S397 WeakPolarHBondContact O-CB 3.45Å; P394-S397 PolarHBondContact O-N 2.88Å; P394-L398 PolarHBondContact O-N 3.45Å
395	L	89.2	Confident	89.1	Confident	34 Å²	34	51.6 Å²	51.6	18%	0.178	25%	0.249	C	C	.	.	H	α-helix	trans	-61.8	-37.9	176.5	-178.2	62.6	0	0	0	111.8	A59 T119 N393 L398 V399	A59-L395 HydrophobicContact CB-CD1 4.42Å; T119-L395 HydrophobicContact CG2-CD1 3.92Å; T119-L395 HydrophobicContact CG2-CD2 4.42Å; N393-L395 PolarHBondContact O-N 2.84Å; N393-L395 VanDerWaalsContact O-N 3.12Å; N393-L395 WeakPolarHBondContact OD1-CB 3.34Å; N393-L395 PolarHBondContact OD1-N 2.68Å; L395-L398 PolarHBondContact O-N 3.37Å; L395-V399 HydrophobicContact CD1-CG2 4.26Å; L395-V399 HydrophobicContact CG-CG2 4.47Å; L395-V399 WeakPolarHBondContact O-CG2 3.19Å; L395-V399 PolarHBondContact O-N 3.03Å
396	Y	89.6	Confident	89	Confident	138 Å²	138	50.5 Å²	50.5	54%	0.541	24%	0.239	S	C	.	.	H	α-helix	trans	-65.6	-41.8	175.9	-73.8	-56	0	0	0	111.1	R390 N393 P394 L398 V399 D400	R390-Y396 WeakPolarHBondContact O-CD2 3.45Å; N393-Y396 HydrophobicContact CB-CD2 3.71Å; N393-Y396 HydrophobicContact CB-CE2 4.19Å; N393-Y396 PolarHBondContact O-N 3.09Å; P394-Y396 VanDerWaalsContact C-N 3.3Å; P394-Y396 PolarHBondContact O-N 2.92Å; Y396-L398 VanDerWaalsContact C-N 3.31Å; Y396-L398 PolarHBondContact O-N 3.3Å; Y396-V399 PolarHBondContact O-N 3.45Å; Y396-D400 WeakPolarHBondContact O-CB 3.36Å; Y396-D400 PolarHBondContact O-N 3.26Å
397	S	88.4	Confident	88.5	Confident	15 Å²	15	50 Å²	50	11%	0.105	24%	0.239	C	C	.	.	H	α-helix	trans	-59.1	-42.6	174.9	-53	0	0	0	0	111.9	Y391 P394 I401	Y391-S397 WeakPolarHBondContact CD1-OG 3.27Å; Y391-S397 PolarHBondContact O-OG 2.9Å; P394-S397 WeakPolarHBondContact O-CB 3.45Å; P394-S397 PolarHBondContact O-N 2.88Å; S397-I401 WeakPolarHBondContact O-CB 3.47Å; S397-I401 WeakPolarHBondContact O-CD1 3.41Å; S397-I401 VanDerWaalsContact O-CG1 3.23Å; S397-I401 WeakPolarHBondContact O-CG1 3.49Å; S397-I401 PolarHBondContact O-N 3.19Å
398	L	90.9	Very high	87.4	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-64	-49.7	177.9	-172.7	66.6	0	0	0	111.8	V44 L46 A59 I227 P394 L395 Y396 I401 S402	V44-L398 HydrophobicContact CB-CD1 4.36Å; V44-L398 HydrophobicContact CG1-CD1 4.07Å; L46-L398 HydrophobicContact CD1-CB 3.88Å; L46-L398 HydrophobicContact CD1-CD1 3.8Å; L46-L398 HydrophobicContact CG-CD1 3.96Å; A59-L398 HydrophobicContact CB-CD2 3.59Å; A59-L398 HydrophobicContact CB-CG 4.27Å; I227-L398 HydrophobicContact CD1-CB 3.75Å; I227-L398 HydrophobicContact CD1-CD2 3.84Å; I227-L398 HydrophobicContact CD1-CG 4.33Å; I227-L398 HydrophobicContact CG1-CB 4.17Å; I227-L398 HydrophobicContact CG1-CD1 4.37Å; I227-L398 HydrophobicContact CG1-CD2 4.06Å; I227-L398 HydrophobicContact CG1-CG 4.45Å; P394-L398 PolarHBondContact O-N 3.45Å; L395-L398 PolarHBondContact O-N 3.37Å; Y396-L398 VanDerWaalsContact C-N 3.31Å; Y396-L398 PolarHBondContact O-N 3.3Å; L398-I401 PolarHBondContact O-N 3.1Å; L398-S402 WeakPolarHBondContact O-CB 3.13Å; L398-S402 PolarHBondContact O-N 2.87Å; L398-S402 PolarHBondContact O-OG 2.91Å
399	V	92.3	Very high	85.7	Confident	24 Å²	24	52.8 Å²	52.8	15%	0.145	27%	0.27	C	S	.	.	H	α-helix	trans	-64.1	-43.6	-179.7	172.7	0	0	0	0	110.8	I117 L395 Y396 S402 T403	I117-V399 HydrophobicContact CD1-CG1 3.84Å; I117-V399 HydrophobicContact CG1-CG1 4.43Å; I117-V399 HydrophobicContact CG2-CG1 4.45Å; I117-V399 HydrophobicContact CG2-CG2 3.94Å; L395-V399 HydrophobicContact CD1-CG2 4.26Å; L395-V399 HydrophobicContact CG-CG2 4.47Å; L395-V399 WeakPolarHBondContact O-CG2 3.19Å; L395-V399 PolarHBondContact O-N 3.03Å; Y396-V399 PolarHBondContact O-N 3.45Å; V399-S402 PolarHBondContact O-N 3.08Å; V399-T403 HydrophobicContact CG1-CG2 4.25Å; V399-T403 WeakPolarHBondContact O-CG2 3.35Å; V399-T403 PolarHBondContact O-N 3.34Å; V399-T403 PolarHBondContact O-OG1 2.93Å
400	D	89.3	Confident	83.8	Confident	47 Å²	47	50.6 Å²	50.6	25%	0.251	27%	0.266	S	S	.	.	H	α-helix	trans	-60.6	-48.3	179	-174.5	31.5	0	0	0	111.3	Y391 Y396 S402 T403 N404	Y391-D400 WeakPolarHBondContact CE1-OD2 3.21Å; Y391-D400 PolarHBondContact OH-OD2 2.87Å; Y396-D400 WeakPolarHBondContact O-CB 3.36Å; Y396-D400 PolarHBondContact O-N 3.26Å; D400-S402 VanDerWaalsContact C-N 3.35Å; D400-S402 PolarHBondContact O-N 3.49Å; D400-T403 WeakPolarHBondContact CA-OG1 3.34Å; D400-T403 PolarHBondContact O-N 3.34Å; D400-T403 PolarHBondContact O-OG1 3.29Å; D400-N404 WeakPolarHBondContact O-CB 3.21Å; D400-N404 PolarHBondContact O-N 2.79Å; D400-N404 PolarHBondContact O-ND2 3Å; D400-N404 PolarHBondContact OD1-ND2 3.42Å
401	I	89.2	Confident	82.2	Confident	4 Å²	4	48.5 Å²	48.5	2%	0.021	27%	0.267	C	S	.	.	H	α-helix	trans	-60.9	-45.4	175.2	-67.7	167	0	0	0	110.5	V32 V44 L46 S397 L398 T403 N404 L405 F413	V32-I401 HydrophobicContact CG1-CD1 4.46Å; V44-I401 HydrophobicContact CG1-CG2 3.79Å; V44-I401 HydrophobicContact CG2-CG2 4.24Å; L46-I401 HydrophobicContact CD1-CD1 4.24Å; L46-I401 HydrophobicContact CD2-CD1 3.73Å; S397-I401 WeakPolarHBondContact O-CB 3.47Å; S397-I401 WeakPolarHBondContact O-CD1 3.41Å; S397-I401 VanDerWaalsContact O-CG1 3.23Å; S397-I401 WeakPolarHBondContact O-CG1 3.49Å; S397-I401 PolarHBondContact O-N 3.19Å; L398-I401 PolarHBondContact O-N 3.1Å; I401-T403 PolarHBondContact O-N 2.86Å; I401-N404 PolarHBondContact O-N 2.88Å; I401-L405 HydrophobicContact CG2-CD1 3.87Å; I401-L405 HydrophobicContact CG2-CG 4.37Å; I401-L405 WeakPolarHBondContact O-CB 3.41Å; I401-L405 WeakPolarHBondContact O-CG 3.16Å; I401-L405 PolarHBondContact O-N 2.59Å; I401-F413 HydrophobicContact CD1-CD2 4.44Å; I401-F413 HydrophobicContact CG1-CD2 4.41Å; I401-F413 HydrophobicContact CG2-CB 4.1Å; I401-F413 HydrophobicContact CG2-CD2 4.43Å; I401-F413 HydrophobicContact CG2-CG 4.23Å
402	S	91.3	Very high	81.1	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-61.7	-42.5	177.8	-68	0	0	0	0	112.9	L398 V399 D400 L406	L398-S402 WeakPolarHBondContact O-CB 3.13Å; L398-S402 PolarHBondContact O-N 2.87Å; L398-S402 PolarHBondContact O-OG 2.91Å; V399-S402 PolarHBondContact O-N 3.08Å; D400-S402 VanDerWaalsContact C-N 3.35Å; D400-S402 PolarHBondContact O-N 3.49Å; S402-L406 WeakPolarHBondContact O-CG 3.33Å; S402-L406 PolarHBondContact O-N 2.88Å; S402-L406 VanDerWaalsContact O-N 3.15Å
403	T	89.7	Confident	80.4	Confident	25 Å²	25	48.7 Å²	48.7	15%	0.153	27%	0.268	C	S	.	.	H	α-helix	trans	-68.9	-40.5	177.8	49.5	0	0	0	0	111.9	V61 V399 D400 I401 L405 L406 S407	V61-T403 HydrophobicContact CG1-CG2 3.95Å; V399-T403 HydrophobicContact CG1-CG2 4.25Å; V399-T403 WeakPolarHBondContact O-CG2 3.35Å; V399-T403 PolarHBondContact O-N 3.34Å; V399-T403 PolarHBondContact O-OG1 2.93Å; D400-T403 WeakPolarHBondContact CA-OG1 3.34Å; D400-T403 PolarHBondContact O-N 3.34Å; D400-T403 PolarHBondContact O-OG1 3.29Å; I401-T403 PolarHBondContact O-N 2.86Å; T403-L405 VanDerWaalsContact C-N 3.32Å; T403-L405 PolarHBondContact O-N 2.96Å; T403-L406 PolarHBondContact O-N 2.88Å; T403-S407 PolarHBondContact O-N 3.39Å; T403-S407 PolarHBondContact O-OG 2.82Å
404	N	87.6	Confident	79.8	Confident	54 Å²	54	50.9 Å²	50.9	29%	0.289	28%	0.28	S	S	.	.	H	α-helix	trans	-64.5	-39.5	177.8	-70.9	-33.4	0	0	0	111.6	D400 I401 L406 S407 S408	D400-N404 WeakPolarHBondContact O-CB 3.21Å; D400-N404 PolarHBondContact O-N 2.79Å; D400-N404 PolarHBondContact O-ND2 3Å; D400-N404 PolarHBondContact OD1-ND2 3.42Å; I401-N404 PolarHBondContact O-N 2.88Å; N404-L406 VanDerWaalsContact C-N 3.27Å; N404-L406 PolarHBondContact O-N 2.9Å; N404-S407 WeakPolarHBondContact CA-OG 3.39Å; N404-S407 PolarHBondContact O-N 3.24Å; N404-S407 PolarHBondContact O-OG 2.98Å; N404-S408 PolarHBondContact O-N 3.33Å
405	L	88.5	Confident	79.4	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-62.7	-34	172.7	-75.6	172.8	0	0	0	111.8	V34 K42 V44 I401 T403 F413	V34-L405 HydrophobicContact CG1-CD1 3.76Å; V34-L405 HydrophobicContact CG1-CD2 4.09Å; V34-L405 HydrophobicContact CG2-CD1 4.19Å; K42-L405 HydrophobicContact CD-CB 3.94Å; K42-L405 PolarHBondContact NZ-O 2.56Å; V44-L405 HydrophobicContact CG2-CD1 3.36Å; I401-L405 HydrophobicContact CG2-CD1 3.87Å; I401-L405 HydrophobicContact CG2-CG 4.37Å; I401-L405 WeakPolarHBondContact O-CB 3.41Å; I401-L405 WeakPolarHBondContact O-CG 3.16Å; I401-L405 PolarHBondContact O-N 2.59Å; T403-L405 VanDerWaalsContact C-N 3.32Å; T403-L405 PolarHBondContact O-N 2.96Å; L405-F413 HydrophobicContact CD2-CB 4.48Å
406	L	88.6	Confident	79	Confident	6 Å²	6	52.7 Å²	52.7	3%	0.031	29%	0.286	C	S	.	.	H	α-helix	trans	-80.3	-22.7	177.9	-71	173.5	0	0	0	114	V61 K63 A223 S402 T403 N404	V61-L406 HydrophobicContact CB-CD1 4.05Å; V61-L406 HydrophobicContact CG1-CD1 3.66Å; K63-L406 HydrophobicContact CD-CB 4.12Å; K63-L406 HydrophobicContact CD-CD2 4.41Å; K63-L406 HydrophobicContact CG-CB 4.06Å; K63-L406 HydrophobicContact CG-CD1 4.13Å; K63-L406 HydrophobicContact CG-CD2 4.3Å; K63-L406 HydrophobicContact CG-CG 4.4Å; K63-L406 PolarHBondContact NZ-O 3.37Å; A223-L406 HydrophobicContact CB-CD1 3.93Å; A223-L406 HydrophobicContact CB-CD2 4.14Å; A223-L406 HydrophobicContact CB-CG 3.91Å; S402-L406 WeakPolarHBondContact O-CG 3.33Å; S402-L406 PolarHBondContact O-N 2.88Å; S402-L406 VanDerWaalsContact O-N 3.15Å; T403-L406 PolarHBondContact O-N 2.88Å; N404-L406 VanDerWaalsContact C-N 3.27Å; N404-L406 PolarHBondContact O-N 2.9Å
407	S	80.3	Confident	78.7	Confident	42 Å²	42	51.6 Å²	51.6	29%	0.294	29%	0.289	S	S	.	.	H	α-helix	trans	-84.7	-37.1	178.3	58	0	0	0	0	113.4	I338 T403 N404	I338-S407 WeakPolarHBondContact CD1-O 3.45Å; T403-S407 PolarHBondContact O-N 3.39Å; T403-S407 PolarHBondContact O-OG 2.82Å; N404-S407 WeakPolarHBondContact CA-OG 3.39Å; N404-S407 PolarHBondContact O-N 3.24Å; N404-S407 PolarHBondContact O-OG 2.98Å
408	S	65.3	Low	78.6	Confident	54 Å²	54	55.1 Å²	55.1	38%	0.378	30%	0.304	S	S	.	.			trans	-92.3	139.1	-175.1	-69.9	0	0	0	0	111.7	N404 V410	N404-S408 PolarHBondContact O-N 3.33Å; S408-V410 PolarHBondContact O-N 3.2Å
409	S	54.3	Low	78.3	Confident	124 Å²	124	56.3 Å²	56.3	87%	0.867	31%	0.311	S	S	*	.	S	Bend	trans	-70.6	-16.3	164.8	53.7	0	0	0	0	112.3
410	V	50.6	Low	78.1	Confident	73 Å²	73	56 Å²	56	44%	0.442	31%	0.309	S	S	.	.	S	Bend	trans	-93.8	128.2	179.2	-171.5	0	0	0	0	108.7	S408 Q412	S408-V410 PolarHBondContact O-N 3.2Å; V410-Q412 HydrophobicContact CG1-CB 3.78Å; V410-Q412 HydrophobicContact CG1-CG 3.65Å; V410-Q412 PolarHBondContact O-N 3.36Å
411	D	55.6	Low	78.1	Confident	107 Å²	107	56 Å²	56	57%	0.572	32%	0.315	S	S	*	.			trans	-66.7	24	174.2	-65.1	-46.2	0	0	0	114
412	Q	64	Low	78	Confident	151 Å²	151	57.1 Å²	57.1	71%	0.706	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-98.4	117	177.4	-73.8	175.5	6.9	0	0	109.1	V410	V410-Q412 HydrophobicContact CG1-CB 3.78Å; V410-Q412 HydrophobicContact CG1-CG 3.65Å; V410-Q412 PolarHBondContact O-N 3.36Å
413	F	71.4	Confident	78	Confident	39 Å²	39	57.2 Å²	57.2	17%	0.171	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-96.5	146.4	161.1	66.8	-82.1	0	0	0	108.3	V32 V34 I401 L405 K415	V32-F413 HydrophobicContact CB-CE2 3.82Å; V32-F413 HydrophobicContact CB-CZ 3.67Å; V32-F413 HydrophobicContact CG1-CE1 4.25Å; V32-F413 HydrophobicContact CG1-CE2 3.75Å; V32-F413 HydrophobicContact CG1-CZ 3.6Å; V32-F413 HydrophobicContact CG2-CE2 4.21Å; V34-F413 HydrophobicContact CB-CE1 4.37Å; V34-F413 HydrophobicContact CG2-CD1 3.65Å; V34-F413 HydrophobicContact CG2-CE1 3.51Å; V34-F413 HydrophobicContact CG2-CZ 4.32Å; I401-F413 HydrophobicContact CD1-CD2 4.44Å; I401-F413 HydrophobicContact CG1-CD2 4.41Å; I401-F413 HydrophobicContact CG2-CB 4.1Å; I401-F413 HydrophobicContact CG2-CD2 4.43Å; I401-F413 HydrophobicContact CG2-CG 4.23Å; L405-F413 HydrophobicContact CD2-CB 4.48Å; F413-K415 HydrophobicContact CE2-CG 4Å
414	L	73.6	Confident	78	Confident	104 Å²	104	60.2 Å²	60.2	55%	0.545	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-87.7	131.4	170.3	-68.1	170.6	0	0	0	108.6	V419	L414-V419 HydrophobicContact CB-CG2 3.66Å; L414-V419 HydrophobicContact CD1-CG2 4.22Å
415	K	77.9	Confident	78.2	Confident	64 Å²	64	66 Å²	66	28%	0.278	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-66.2	144.7	169.9	-64	-175.2	-175.4	-173.2	0	108.4	D31 F413 I417 E418 V419	D31-K415 IonicContact OD1-NZ 2.82Å; D31-K415 PolarHBondContact OD1-NZ 3.2Å; D31-K415 IonicContact OD2-NZ 3.69Å; F413-K415 HydrophobicContact CE2-CG 4Å; K415-I417 HydrophobicContact CB-CG2 4.14Å; K415-I417 PolarHBondContact O-N 2.99Å; K415-E418 HydrophobicContact CB-CG 4.06Å; K415-E418 PolarHBondContact N-OE2 2.83Å; K415-E418 WeakPolarHBondContact O-CA 3.5Å; K415-E418 WeakPolarHBondContact O-CB 3.31Å; K415-E418 PolarHBondContact O-N 2.77Å; K415-V419 PolarHBondContact O-N 3.12Å; K415-V419 VanDerWaalsContact O-N 3.11Å
416	P	80.3	Confident	78.3	Confident	34 Å²	34	66.8 Å²	66.8	22%	0.221	37%	0.371	C	S	.	.	H	α-helix	trans	-44.5	-41.1	173.9	-37	40.3	0	0	0	114.6	Y391 E418 V419 V420	Y391-P416 HydrophobicContact CD1-CB 4.11Å; Y391-P416 HydrophobicContact CD1-CG 3.83Å; Y391-P416 HydrophobicContact CD2-CB 3.54Å; Y391-P416 HydrophobicContact CD2-CG 4.19Å; Y391-P416 HydrophobicContact CE1-CB 4.2Å; Y391-P416 HydrophobicContact CE1-CG 3.85Å; Y391-P416 HydrophobicContact CE2-CB 3.61Å; Y391-P416 HydrophobicContact CE2-CG 4.19Å; Y391-P416 HydrophobicContact CG-CB 3.79Å; Y391-P416 HydrophobicContact CG-CG 4Å; P416-E418 PolarHBondContact O-N 2.78Å; P416-V419 PolarHBondContact O-N 3.48Å; P416-V420 WeakPolarHBondContact O-CG2 3.17Å; P416-V420 PolarHBondContact O-N 3.12Å; P416-V420 VanDerWaalsContact O-N 3.13Å
417	I	84.3	Confident	78.6	Confident	115 Å²	115	71.5 Å²	71.5	59%	0.59	40%	0.396	S	S	*	.	H	α-helix	trans	-69.3	-31.6	179.6	-162.6	155.8	0	0	0	113.4	K415 V420 A421	K415-I417 HydrophobicContact CB-CG2 4.14Å; K415-I417 PolarHBondContact O-N 2.99Å; I417-V420 PolarHBondContact O-N 3.17Å; I417-A421 WeakPolarHBondContact O-CB 3.28Å; I417-A421 PolarHBondContact O-N 3.05Å
418	E	85.3	Confident	79.2	Confident	90 Å²	90	71.9 Å²	71.9	42%	0.421	40%	0.395	S	S	.	.	H	α-helix	trans	-73.2	-37.8	176.7	-66.1	165.7	-179.6	0	0	110.8	K415 P416 V420 A421 G422	K415-E418 HydrophobicContact CB-CG 4.06Å; K415-E418 PolarHBondContact N-OE2 2.83Å; K415-E418 WeakPolarHBondContact O-CA 3.5Å; K415-E418 WeakPolarHBondContact O-CB 3.31Å; K415-E418 PolarHBondContact O-N 2.77Å; P416-E418 PolarHBondContact O-N 2.78Å; E418-V420 VanDerWaalsContact C-N 3.33Å; E418-A421 PolarHBondContact O-N 2.99Å; E418-G422 PolarHBondContact O-N 2.94Å
419	V	84.5	Confident	80.6	Confident	25 Å²	25	76.5 Å²	76.5	15%	0.152	41%	0.408	C	S	.	.	H	α-helix	trans	-59.1	-48	172.4	-178.8	0	0	0	0	109.8	L387 L414 K415 P416 G422 L423	L387-V419 HydrophobicContact CD1-CG1 4.08Å; L414-V419 HydrophobicContact CB-CG2 3.66Å; L414-V419 HydrophobicContact CD1-CG2 4.22Å; K415-V419 PolarHBondContact O-N 3.12Å; K415-V419 VanDerWaalsContact O-N 3.11Å; P416-V419 PolarHBondContact O-N 3.48Å; V419-G422 PolarHBondContact O-N 3Å; V419-L423 PolarHBondContact O-N 2.94Å
420	V	88.6	Confident	82.4	Confident	18 Å²	18	73.1 Å²	73.1	11%	0.109	38%	0.384	C	S	.	.	H	α-helix	trans	-62.1	-43.5	178	165.9	0	0	0	0	112.1	K384 L387 M388 P416 I417 E418 G422 L423	K384-V420 HydrophobicContact CD-CG1 4.18Å; K384-V420 WeakPolarHBondContact CE-O 3.45Å; K384-V420 HydrophobicContact CG-CG1 4.01Å; L387-V420 HydrophobicContact CB-CG2 4.39Å; L387-V420 HydrophobicContact CD1-CG2 4.41Å; M388-V420 HydrophobicContact CG-CG2 4.3Å; M388-V420 HydrophobicContact SD-CG2 4.04Å; P416-V420 WeakPolarHBondContact O-CG2 3.17Å; P416-V420 PolarHBondContact O-N 3.12Å; P416-V420 VanDerWaalsContact O-N 3.13Å; I417-V420 PolarHBondContact O-N 3.17Å; E418-V420 VanDerWaalsContact C-N 3.33Å; V420-G422 VanDerWaalsContact C-N 3.31Å; V420-L423 WeakPolarHBondContact O-CB 3.34Å; V420-L423 PolarHBondContact O-N 3.19Å
421	A	89	Confident	84.4	Confident	46 Å²	46	69.7 Å²	69.7	38%	0.38	36%	0.364	S	S	.	.	H	α-helix	trans	-67.3	-32.3	175.7	0	0	0	0	0	112.2	I417 E418 L423 D424	I417-A421 WeakPolarHBondContact O-CB 3.28Å; I417-A421 PolarHBondContact O-N 3.05Å; E418-A421 PolarHBondContact O-N 2.99Å; A421-L423 PolarHBondContact O-N 3.32Å; A421-D424 PolarHBondContact O-N 3.48Å
422	G	88.4	Confident	86.2	Confident	28 Å²	28	65.4 Å²	65.4	29%	0.289	34%	0.341	S	S	.	.	H	α-helix	trans	-62.2	-30.6	174.4	0	0	0	0	0	113.1	E418 V419 V420 D424 K425	E418-G422 PolarHBondContact O-N 2.94Å; V419-G422 PolarHBondContact O-N 3Å; V420-G422 VanDerWaalsContact C-N 3.31Å; G422-D424 VanDerWaalsContact C-N 3.26Å; G422-D424 PolarHBondContact O-N 3.36Å; G422-K425 PolarHBondContact O-N 3.49Å
423	L	90.1	Very high	87.6	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-63.7	-30.8	176.6	-59.9	-176.2	0	0	0	112.8	T290 K380 L383 K384 L387 V419 V420 A421 K425 V426	T290-L423 HydrophobicContact CG2-CD2 3.36Å; K380-L423 WeakPolarHBondContact CE-O 3.48Å; L383-L423 HydrophobicContact CB-CD1 4.2Å; L383-L423 HydrophobicContact CD2-CD1 3.79Å; L383-L423 HydrophobicContact CD2-CD2 3.71Å; L383-L423 HydrophobicContact CD2-CG 4.42Å; L383-L423 HydrophobicContact CG-CD1 3.8Å; K384-L423 HydrophobicContact CG-CD1 3.67Å; L387-L423 HydrophobicContact CD1-CD1 3.79Å; V419-L423 PolarHBondContact O-N 2.94Å; V420-L423 WeakPolarHBondContact O-CB 3.34Å; V420-L423 PolarHBondContact O-N 3.19Å; A421-L423 PolarHBondContact O-N 3.32Å; L423-K425 VanDerWaalsContact C-N 3.29Å; L423-K425 PolarHBondContact O-N 3.37Å; L423-V426 PolarHBondContact O-N 3.48Å
424	D	90.2	Very high	88.6	Confident	88 Å²	88	61.2 Å²	61.2	47%	0.471	33%	0.328	S	S	.	.	H	α-helix	trans	-68.1	-32.4	-179.5	-74.3	-41.7	0	0	0	112.5	K380 K384 A421 G422 V426	K380-D424 PolarHBondContact NZ-O 2.9Å; K384-D424 VanDerWaalsContact CE-OD1 3.29Å; K384-D424 WeakPolarHBondContact CE-OD1 3.4Å; K384-D424 IonicContact NZ-OD1 3.46Å; K384-D424 PolarHBondContact NZ-OD1 3.26Å; K384-D424 IonicContact NZ-OD2 3.79Å; K384-D424 PolarHBondContact NZ-OD2 3.21Å; A421-D424 PolarHBondContact O-N 3.48Å; G422-D424 VanDerWaalsContact C-N 3.26Å; G422-D424 PolarHBondContact O-N 3.36Å; D424-V426 PolarHBondContact O-N 3.36Å
425	K	91.1	Very high	89.5	Confident	175 Å²	175	56.3 Å²	56.3	76%	0.761	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-4.4	-177.9	-58.5	180	-178.7	178.2	0	114.1	G422 L423	G422-K425 PolarHBondContact O-N 3.49Å; L423-K425 VanDerWaalsContact C-N 3.29Å; L423-K425 PolarHBondContact O-N 3.37Å
426	V	92	Very high	90.2	Very high	18 Å²	18	55.6 Å²	55.6	11%	0.109	30%	0.301	C	S	.	.			trans	-82.3	124.2	-177.2	-175.3	0	0	0	0	110.7	T290 I291 L294 K380 L423 D424 V431	T290-V426 HydrophobicContact CG2-CG2 3.37Å; I291-V426 HydrophobicContact CG1-CG1 4.38Å; L294-V426 HydrophobicContact CD1-CB 3.76Å; L294-V426 HydrophobicContact CD1-CG1 3.7Å; L294-V426 HydrophobicContact CD1-CG2 3.84Å; K380-V426 VanDerWaalsContact CE-O 3.28Å; K380-V426 WeakPolarHBondContact CE-O 3.34Å; K380-V426 PolarHBondContact NZ-O 2.94Å; L423-V426 PolarHBondContact O-N 3.48Å; D424-V426 PolarHBondContact O-N 3.36Å; V426-V431 HydrophobicContact CG1-CG2 3.62Å
427	D	93	Very high	90.8	Very high	106 Å²	106	61.7 Å²	61.7	57%	0.567	32%	0.324	S	S	*	.			trans	-85.1	151.2	179.4	-59.9	-35.9	0	0	0	112.7	K429 S430 V431	D427-K429 VanDerWaalsContact C-N 3.27Å; D427-K429 PolarHBondContact O-N 2.82Å; D427-S430 PolarHBondContact O-N 2.88Å; D427-V431 PolarHBondContact O-N 3.07Å
428	L	93.9	Very high	91.2	Very high	49 Å²	49	56.6 Å²	56.6	26%	0.257	30%	0.298	S	S	.	.	H	α-helix	trans	-55.9	-43.1	175.7	-173.3	97.9	0	0	0	112.2	T372 E373 L376 S430 V431 N432	T372-L428 WeakPolarHBondContact O-CD1 3.42Å; E373-L428 HydrophobicContact CG-CD1 4.28Å; L376-L428 HydrophobicContact CB-CD1 3.96Å; L376-L428 HydrophobicContact CD2-CB 3.98Å; L376-L428 HydrophobicContact CD2-CD1 4.1Å; L428-S430 PolarHBondContact O-N 3.24Å; L428-V431 PolarHBondContact O-N 3.27Å; L428-N432 PolarHBondContact O-N 3.39Å
429	K	94.1	Very high	91.5	Very high	151 Å²	151	52.3 Å²	52.3	66%	0.657	28%	0.278	S	S	*	.	H	α-helix	trans	-58.4	-47.9	-178.6	-174.7	178	178	-177.4	0	111.2	D427 V431 N432 D433	D427-K429 VanDerWaalsContact C-N 3.27Å; D427-K429 PolarHBondContact O-N 2.82Å; K429-V431 VanDerWaalsContact C-N 3.28Å; K429-V431 PolarHBondContact O-N 3.42Å; K429-N432 PolarHBondContact O-N 3.39Å; K429-D433 WeakPolarHBondContact CG-OD2 3.39Å; K429-D433 VanDerWaalsContact O-CB 3.3Å; K429-D433 WeakPolarHBondContact O-CB 3.37Å; K429-D433 PolarHBondContact O-N 3.37Å
430	S	92.4	Very high	91.7	Very high	53 Å²	53	55.8 Å²	55.8	37%	0.371	29%	0.294	S	S	.	.	H	α-helix	trans	-61.6	-35.7	179.2	-53.9	0	0	0	0	113	D427 L428 A434	D427-S430 PolarHBondContact O-N 2.88Å; L428-S430 PolarHBondContact O-N 3.24Å; S430-A434 WeakPolarHBondContact O-CB 3.42Å; S430-A434 PolarHBondContact O-N 2.7Å; S430-A434 VanDerWaalsContact O-N 3.09Å
431	V	93	Very high	91.7	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.012	30%	0.301	C	S	.	.	H	α-helix	trans	-70	-47.4	177.7	178.3	0	0	0	0	111	I291 I295 F371 L376 V426 D427 L428 K429 A434 L435	I291-V431 HydrophobicContact CG2-CG2 4.48Å; I295-V431 HydrophobicContact CG1-CG1 3.64Å; F371-V431 HydrophobicContact CD2-CG1 3.88Å; F371-V431 HydrophobicContact CE2-CG1 4.19Å; L376-V431 HydrophobicContact CD1-CG2 4.05Å; V426-V431 HydrophobicContact CG1-CG2 3.62Å; D427-V431 PolarHBondContact O-N 3.07Å; L428-V431 PolarHBondContact O-N 3.27Å; K429-V431 VanDerWaalsContact C-N 3.28Å; K429-V431 PolarHBondContact O-N 3.42Å; V431-A434 PolarHBondContact O-N 3.46Å; V431-L435 PolarHBondContact O-N 3Å
432	N	93.9	Very high	91.6	Very high	16 Å²	16	62 Å²	62	9%	0.086	32%	0.315	C	S	.	.	H	α-helix	trans	-66.6	-42.2	178.8	-75.5	-25.3	0	0	0	111.8	F371 L428 K429 A434 L435 N436	F371-N432 WeakPolarHBondContact CB-OD1 3.33Å; F371-N432 WeakPolarHBondContact CD2-OD1 3.49Å; F371-N432 PolarHBondContact N-OD1 2.97Å; F371-N432 PolarHBondContact O-ND2 3.04Å; F371-N432 VanDerWaalsContact O-ND2 3.16Å; L428-N432 PolarHBondContact O-N 3.39Å; K429-N432 PolarHBondContact O-N 3.39Å; N432-A434 VanDerWaalsContact C-N 3.33Å; N432-A434 PolarHBondContact O-N 3.45Å; N432-L435 PolarHBondContact O-N 3.14Å; N432-N436 WeakPolarHBondContact O-CB 3.44Å; N432-N436 PolarHBondContact O-N 3.41Å; N432-N436 PolarHBondContact O-ND2 3.41Å
433	D	93.1	Very high	91.7	Very high	86 Å²	86	65.8 Å²	65.8	46%	0.46	33%	0.325	S	S	.	.	H	α-helix	trans	-61.6	-42.6	176.5	-71.2	-12.7	0	0	0	111.1	K429 K437	K429-D433 WeakPolarHBondContact CG-OD2 3.39Å; K429-D433 VanDerWaalsContact O-CB 3.3Å; K429-D433 WeakPolarHBondContact O-CB 3.37Å; K429-D433 PolarHBondContact O-N 3.37Å; D433-K437 VanDerWaalsContact O-CB 3.24Å; D433-K437 WeakPolarHBondContact O-CB 3.36Å; D433-K437 PolarHBondContact O-N 2.95Å
434	A	92.7	Very high	91.9	Very high	17 Å²	17	65.9 Å²	65.9	14%	0.14	33%	0.326	C	S	.	.	H	α-helix	trans	-66.6	-41.2	177.4	0	0	0	0	0	112.3	M285 I291 I295 S430 V431 N432 T438	M285-A434 HydrophobicContact CE-CB 3.83Å; I291-A434 HydrophobicContact CG2-CB 3.71Å; I295-A434 HydrophobicContact CD1-CB 4.32Å; S430-A434 WeakPolarHBondContact O-CB 3.42Å; S430-A434 PolarHBondContact O-N 2.7Å; S430-A434 VanDerWaalsContact O-N 3.09Å; V431-A434 PolarHBondContact O-N 3.46Å; N432-A434 VanDerWaalsContact C-N 3.33Å; N432-A434 PolarHBondContact O-N 3.45Å; A434-T438 WeakPolarHBondContact O-CB 3.39Å; A434-T438 PolarHBondContact O-N 2.93Å; A434-T438 VanDerWaalsContact O-N 3.15Å; A434-T438 PolarHBondContact O-OG1 3.35Å
435	L	92.5	Very high	92.2	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-61.4	-53.8	174.3	178.5	68.5	0	0	0	110.6	I295 F343 L366 F371 V431 N432 K437 T438 V439	I295-L435 HydrophobicContact CD1-CB 4.06Å; I295-L435 HydrophobicContact CG2-CD1 3.83Å; F343-L435 HydrophobicContact CE1-CD1 4.04Å; F343-L435 HydrophobicContact CZ-CD1 4.23Å; L366-L435 HydrophobicContact CD2-CD1 4.49Å; F371-L435 HydrophobicContact CD2-CD2 4.33Å; F371-L435 HydrophobicContact CE2-CD2 3.59Å; F371-L435 HydrophobicContact CZ-CD2 3.85Å; V431-L435 PolarHBondContact O-N 3Å; N432-L435 PolarHBondContact O-N 3.14Å; L435-K437 VanDerWaalsContact C-N 3.34Å; L435-K437 PolarHBondContact O-N 2.87Å; L435-T438 WeakPolarHBondContact O-CB 3.47Å; L435-T438 PolarHBondContact O-N 3.44Å; L435-V439 HydrophobicContact CD1-CG2 3.73Å; L435-V439 HydrophobicContact CG-CG2 4.26Å; L435-V439 WeakPolarHBondContact O-CG2 3.35Å; L435-V439 PolarHBondContact O-N 3.22Å
436	N	92.7	Very high	92.5	Very high	48 Å²	48	53.3 Å²	53.3	26%	0.257	27%	0.267	S	S	.	.	H	α-helix	trans	-58.3	-46.9	-177.3	-72.8	-18	0	0	0	111.1	N432 T438 V439 M440	N432-N436 WeakPolarHBondContact O-CB 3.44Å; N432-N436 PolarHBondContact O-N 3.41Å; N432-N436 PolarHBondContact O-ND2 3.41Å; N436-T438 PolarHBondContact O-N 2.97Å; N436-V439 PolarHBondContact O-N 3.2Å; N436-M440 WeakPolarHBondContact O-CB 3.49Å; N436-M440 WeakPolarHBondContact O-CG 3.43Å; N436-M440 PolarHBondContact O-N 2.98Å
437	K	92.1	Very high	92.8	Very high	162 Å²	162	52.5 Å²	52.5	70%	0.704	26%	0.262	S	S	*	.	H	α-helix	trans	-60.2	-34.8	177.2	-175	175.2	-178.8	174.6	0	112.9	D433 L435	D433-K437 VanDerWaalsContact O-CB 3.24Å; D433-K437 WeakPolarHBondContact O-CB 3.36Å; D433-K437 PolarHBondContact O-N 2.95Å; L435-K437 VanDerWaalsContact C-N 3.34Å; L435-K437 PolarHBondContact O-N 2.87Å
438	T	92.3	Very high	93	Very high	8 Å²	8	47.4 Å²	47.4	5%	0.049	24%	0.235	C	C	.	.	H	α-helix	trans	-75.7	-47.5	-178.5	-57.5	0	0	0	0	111.3	W283 M285 F343 A434 L435 N436 N441	W283-T438 HydrophobicContact CB-CG2 3.55Å; W283-T438 HydrophobicContact CG-CG2 4.37Å; M285-T438 HydrophobicContact CB-CG2 4.13Å; M285-T438 HydrophobicContact CG-CG2 4.42Å; F343-T438 HydrophobicContact CB-CG2 4.34Å; F343-T438 HydrophobicContact CD1-CG2 3.91Å; A434-T438 WeakPolarHBondContact O-CB 3.39Å; A434-T438 PolarHBondContact O-N 2.93Å; A434-T438 VanDerWaalsContact O-N 3.15Å; A434-T438 PolarHBondContact O-OG1 3.35Å; L435-T438 WeakPolarHBondContact O-CB 3.47Å; L435-T438 PolarHBondContact O-N 3.44Å; N436-T438 PolarHBondContact O-N 2.97Å; T438-N441 VanDerWaalsContact O-CB 3.3Å; T438-N441 WeakPolarHBondContact O-CB 3.39Å; T438-N441 PolarHBondContact O-N 3.28Å
439	V	91	Very high	93.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-79	-27	-174.2	-178.8	0	0	0	0	112.7	W283 F343 L366 R367 L435 N436 N441	W283-V439 HydrophobicContact CZ2-CG1 4.41Å; F343-V439 HydrophobicContact CE1-CG2 4.39Å; L366-V439 HydrophobicContact CB-CG1 3.77Å; L366-V439 HydrophobicContact CB-CG2 4.17Å; L366-V439 HydrophobicContact CD1-CG1 4.44Å; L366-V439 HydrophobicContact CD1-CG2 4.23Å; R367-V439 HydrophobicContact CG-CG1 3.57Å; R367-V439 PolarHBondContact NE-O 3.24Å; L435-V439 HydrophobicContact CD1-CG2 3.73Å; L435-V439 HydrophobicContact CG-CG2 4.26Å; L435-V439 WeakPolarHBondContact O-CG2 3.35Å; L435-V439 PolarHBondContact O-N 3.22Å; N436-V439 PolarHBondContact O-N 3.2Å; V439-N441 PolarHBondContact O-N 3.01Å
440	M	90.3	Very high	93.2	Very high	98 Å²	98	37.9 Å²	37.9	48%	0.483	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-7.1	173.1	-65.9	-62.6	-178.4	0	0	113	R367 N436 H442	R367-M440 HydrophobicContact CB-CE 3.95Å; R367-M440 HydrophobicContact CB-SD 4.5Å; R367-M440 HydrophobicContact CG-CE 4.2Å; R367-M440 HydrophobicContact CG-SD 4.14Å; R367-M440 WeakPolarHBondContact O-CE 3.49Å; N436-M440 WeakPolarHBondContact O-CB 3.49Å; N436-M440 WeakPolarHBondContact O-CG 3.43Å; N436-M440 PolarHBondContact O-N 2.98Å; M440-H442 PolarHBondContact O-N 3.08Å
441	N	87.8	Confident	93.3	Very high	49 Å²	49	36.1 Å²	36.1	26%	0.262	18%	0.179	S	C	.	.			trans	-70.3	127.5	175	-167.9	-5.7	0	0	0	110.6	W283 T438 V439 Q443	W283-N441 PolarHBondContact NE1-O 3.28Å; T438-N441 VanDerWaalsContact O-CB 3.3Å; T438-N441 WeakPolarHBondContact O-CB 3.39Å; T438-N441 PolarHBondContact O-N 3.28Å; V439-N441 PolarHBondContact O-N 3.01Å; N441-Q443 VanDerWaalsContact C-N 3.25Å; N441-Q443 PolarHBondContact O-N 2.8Å; N441-Q443 PolarHBondContact OD1-N 3.14Å
442	H	86.6	Confident	93.2	Very high	145 Å²	145	40.3 Å²	40.3	67%	0.671	20%	0.201	S	C	*	.	S	Bend	trans	-74.4	-15.5	174.9	-67.5	-67.8	0	0	0	113.2	M440 L463	M440-H442 PolarHBondContact O-N 3.08Å; H442-L463 VanDerWaalsContact O-CD1 3.28Å; H442-L463 WeakPolarHBondContact O-CD1 3.42Å
443	Q	90.6	Very high	93.1	Very high	109 Å²	109	39.7 Å²	39.7	51%	0.509	20%	0.198	S	C	.	.			trans	-87.2	112.2	171.9	-66.5	-176.5	-32.8	0	0	109.8	F262 P284 N441	F262-Q443 HydrophobicContact CD1-CB 4.22Å; F262-Q443 HydrophobicContact CE1-CB 4Å; P284-Q443 WeakPolarHBondContact CD-O 3.36Å; N441-Q443 VanDerWaalsContact C-N 3.25Å; N441-Q443 PolarHBondContact O-N 2.8Å; N441-Q443 PolarHBondContact OD1-N 3.14Å
444	A	95	Very high	93	Very high	2 Å²	2	39 Å²	39	2%	0.017	21%	0.211	C	C	.	.			trans	-135.8	165.9	173.4	0	0	0	0	0	110.2	G264 G265 L281 A282 W283 L459 L463	G264-A444 VanDerWaalsContact CA-O 3.28Å; G264-A444 WeakPolarHBondContact CA-O 3.3Å; G265-A444 PolarHBondContact N-O 2.95Å; L281-A444 HydrophobicContact CD1-CB 4Å; A282-A444 CarbonylContact O-C 3.54Å; A282-A444 WeakPolarHBondContact O-CA 3.41Å; A282-A444 WeakPolarHBondContact O-CB 3.43Å; W283-A444 HydrophobicContact CG-CB 4.23Å; A444-L459 HydrophobicContact CB-CD1 4.29Å; A444-L459 HydrophobicContact CB-CD2 4.39Å; A444-L459 WeakPolarHBondContact O-CD2 3.28Å; A444-L463 HydrophobicContact CB-CD1 3.9Å; A444-L463 HydrophobicContact CB-CD2 4.3Å
445	A	96.7	Very high	92.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	136.7	174.9	0	0	0	0	0	108.1	L176 A179 A180 F262 G265 L281 A282	L176-A445 HydrophobicContact CD1-CB 3.7Å; L176-A445 WeakPolarHBondContact CD1-O 3.43Å; A179-A445 HydrophobicContact CB-CB 4.34Å; A180-A445 HydrophobicContact CB-CB 3.61Å; F262-A445 HydrophobicContact CE2-CB 4.06Å; F262-A445 HydrophobicContact CZ-CB 3.81Å; G265-A445 CarbonylContact O-C 3.1Å; G265-A445 WeakPolarHBondContact O-CA 3.49Å; L281-A445 WeakPolarHBondContact CA-O 3.38Å; A282-A445 PolarHBondContact N-O 3.1Å; A282-A445 PolarHBondContact O-N 3.13Å
446	F	97.6	Very high	92.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	134.8	-178.2	-168.3	-133.6	0	0	0	110.4	G265 E266 I267 A279 Y280 L281 I359 L448 I456 L459 L462	G265-F446 PolarHBondContact O-N 3.3Å; E266-F446 CarbonylContact C-O 3.59Å; E266-F446 WeakPolarHBondContact CA-O 3.12Å; E266-F446 HydrophobicContact CB-CB 4.04Å; E266-F446 HydrophobicContact CB-CD1 4.32Å; I267-F446 PolarHBondContact N-O 3.36Å; A279-F446 HydrophobicContact CB-CE2 4.28Å; Y280-F446 CarbonylContact O-C 3.53Å; Y280-F446 VanDerWaalsContact O-CA 3.28Å; Y280-F446 WeakPolarHBondContact O-CA 3.42Å; Y280-F446 WeakPolarHBondContact O-CD2 3.21Å; L281-F446 HydrophobicContact CB-CD2 3.99Å; L281-F446 HydrophobicContact CB-CE2 4.33Å; L281-F446 HydrophobicContact CD1-CB 4.45Å; L281-F446 HydrophobicContact CD1-CD2 4.13Å; I359-F446 HydrophobicContact CD1-CE2 4Å; I359-F446 HydrophobicContact CD1-CZ 3.94Å; F446-L448 HydrophobicContact CD1-CD1 4.4Å; F446-L448 HydrophobicContact CD1-CG 4.28Å; F446-L448 HydrophobicContact CE1-CD1 3.61Å; F446-L448 HydrophobicContact CE1-CD2 3.92Å; F446-L448 HydrophobicContact CE1-CG 3.66Å; F446-L448 HydrophobicContact CE2-CD2 4.11Å; F446-L448 HydrophobicContact CE2-CG 4.5Å; F446-L448 HydrophobicContact CZ-CD1 4.05Å; F446-L448 HydrophobicContact CZ-CD2 3.49Å; F446-L448 VanDerWaalsContact CZ-CD2 3.49Å; F446-L448 HydrophobicContact CZ-CG 3.78Å; F446-I456 HydrophobicContact CE1-CG2 4.14Å; F446-I456 HydrophobicContact CZ-CG2 4.01Å; F446-L459 HydrophobicContact CB-CB 4.23Å; F446-L459 HydrophobicContact CB-CD1 3.9Å; F446-L459 HydrophobicContact CB-CD2 3.96Å; F446-L459 HydrophobicContact CB-CG 4.25Å; F446-L459 HydrophobicContact CD1-CB 4.39Å; F446-L459 HydrophobicContact CG-CD1 4.33Å; F446-L462 HydrophobicContact CE1-CD1 3.88Å; F446-L462 HydrophobicContact CZ-CD1 3.9Å
447	S	97.7	Very high	93	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	142.5	173	66.7	0	0	0	0	110.6	G172 I267 A279 Y280	G172-S447 PolarHBondContact O-OG 2.82Å; I267-S447 VanDerWaalsContact O-CA 3.27Å; I267-S447 WeakPolarHBondContact O-CA 3.41Å; A279-S447 CarbonylContact C-O 3.59Å; A279-S447 WeakPolarHBondContact CA-O 3.49Å; Y280-S447 WeakPolarHBondContact CB-OG 3.24Å; Y280-S447 WeakPolarHBondContact CD2-OG 3.29Å; Y280-S447 PolarHBondContact N-O 3.41Å; Y280-S447 PolarHBondContact O-N 3.23Å
448	L	97.6	Very high	93.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	130.6	179.3	-69.1	177.4	0	0	0	109.7	I267 R268 R269 Y278 A279 F446 L453 I456	I267-L448 PolarHBondContact O-N 3.14Å; R268-L448 HydrophobicContact CG-CB 4.29Å; R268-L448 HydrophobicContact CG-CD1 4.14Å; R269-L448 PolarHBondContact N-O 2.87Å; Y278-L448 CarbonylContact O-C 3.56Å; Y278-L448 WeakPolarHBondContact O-CA 3.4Å; A279-L448 HydrophobicContact CB-CD2 3.35Å; F446-L448 HydrophobicContact CD1-CD1 4.4Å; F446-L448 HydrophobicContact CD1-CG 4.28Å; F446-L448 HydrophobicContact CE1-CD1 3.61Å; F446-L448 HydrophobicContact CE1-CD2 3.92Å; F446-L448 HydrophobicContact CE1-CG 3.66Å; F446-L448 HydrophobicContact CE2-CD2 4.11Å; F446-L448 HydrophobicContact CE2-CG 4.5Å; F446-L448 HydrophobicContact CZ-CD1 4.05Å; F446-L448 HydrophobicContact CZ-CD2 3.49Å; F446-L448 VanDerWaalsContact CZ-CD2 3.49Å; F446-L448 HydrophobicContact CZ-CG 3.78Å; L448-L453 HydrophobicContact CB-CD1 3.8Å; L448-L453 HydrophobicContact CB-CD2 4.05Å; L448-L453 HydrophobicContact CB-CG 4.4Å; L448-L453 HydrophobicContact CD1-CB 4.48Å; L448-I456 HydrophobicContact CD1-CB 3.99Å; L448-I456 HydrophobicContact CD1-CD1 4.22Å; L448-I456 HydrophobicContact CD1-CG2 3.94Å; L448-I456 HydrophobicContact CD2-CD1 3.73Å; L448-I456 HydrophobicContact CD2-CG2 4.35Å
449	V	96.9	Very high	93.1	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	121.8	175.2	-176.5	0	0	0	0	108.8	L168 L171 L175 R269 L271 V277 Y278	L168-V449 HydrophobicContact CB-CG1 3.98Å; L168-V449 HydrophobicContact CD2-CG1 4.19Å; L168-V449 HydrophobicContact CG-CG1 4.45Å; L171-V449 HydrophobicContact CD2-CG1 4Å; L171-V449 HydrophobicContact CG-CG2 4.26Å; L175-V449 HydrophobicContact CD1-CG2 3.73Å; R269-V449 HydrophobicContact CB-CG2 4.19Å; R269-V449 WeakPolarHBondContact O-CA 3.4Å; L271-V449 HydrophobicContact CD1-CG1 3.72Å; V277-V449 CarbonylContact C-O 3.4Å; V277-V449 WeakPolarHBondContact CA-O 3.5Å; Y278-V449 PolarHBondContact N-O 3.46Å; Y278-V449 PolarHBondContact O-N 3.27Å
450	G	95.4	Very high	93.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	150.2	-174	-179	0	0	0	0	0	112.5	R269 D270 L271 L453	R269-G450 PolarHBondContact O-N 3.39Å; D270-G450 WeakPolarHBondContact CA-O 3.43Å; L271-G450 PolarHBondContact N-O 3.32Å; G450-L453 WeakPolarHBondContact O-CG 3.39Å
451	P	93.4	Very high	93.2	Very high	15 Å²	15	46.2 Å²	46.2	10%	0.097	25%	0.247	C	C	.	.	S	Bend	trans	-79.9	157.5	178.2	34.4	-37.2	0	0	0	112.1	A274 V277 P352 L453	A274-P451 WeakPolarHBondContact O-CD 3.34Å; A274-P451 WeakPolarHBondContact O-CG 3.35Å; V277-P451 HydrophobicContact CG2-CG 4.29Å; P352-P451 WeakPolarHBondContact CG-O 3.38Å; P451-L453 PolarHBondContact O-N 3.27Å; P451-L453 VanDerWaalsContact O-N 3.09Å
452	D	91.2	Very high	93.3	Very high	90 Å²	90	43.9 Å²	43.9	48%	0.481	23%	0.234	S	C	.	.			trans	50.7	40.1	165.4	-60.4	-43.5	0	0	0	114	P352 G454 F455	P352-D452 HydrophobicContact CG-CB 4.08Å; D452-G454 PolarHBondContact O-N 2.97Å; D452-F455 HydrophobicContact CB-CD2 3.73Å; D452-F455 HydrophobicContact CB-CE2 3.78Å; D452-F455 VanDerWaalsContact O-CD2 3.29Å; D452-F455 WeakPolarHBondContact O-CD2 3.28Å; D452-F455 PolarHBondContact O-N 2.6Å
453	L	92.3	Very high	93.4	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.021	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-63.4	-14.7	-174	-59.6	-179.8	0	0	0	113.5	R268 R269 D270 V277 L448 G450 P451 F455 I456	R268-L453 HydrophobicContact CB-CD1 4.09Å; R268-L453 PolarHBondContact NH1-O 3.05Å; R269-L453 WeakPolarHBondContact O-CD1 3.5Å; D270-L453 HydrophobicContact CB-CD1 4.49Å; V277-L453 HydrophobicContact CG1-CD2 3.79Å; V277-L453 HydrophobicContact CG2-CD2 4.34Å; L448-L453 HydrophobicContact CB-CD1 3.8Å; L448-L453 HydrophobicContact CB-CD2 4.05Å; L448-L453 HydrophobicContact CB-CG 4.4Å; L448-L453 HydrophobicContact CD1-CB 4.48Å; G450-L453 WeakPolarHBondContact O-CG 3.39Å; P451-L453 PolarHBondContact O-N 3.27Å; P451-L453 VanDerWaalsContact O-N 3.09Å; L453-F455 PolarHBondContact O-N 2.76Å; L453-I456 PolarHBondContact O-N 2.98Å; L453-I456 VanDerWaalsContact O-N 3.08Å
454	G	90.9	Very high	93	Very high	71 Å²	71	40 Å²	40	73%	0.732	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-61.8	-20.3	175.4	0	0	0	0	0	114.2	D452 I456	D452-G454 PolarHBondContact O-N 2.97Å; G454-I456 PolarHBondContact O-N 3.27Å
455	F	90.1	Very high	91.5	Very high	112 Å²	112	45.1 Å²	45.1	49%	0.491	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-73.7	-14.4	173.6	-69	-61.3	0	0	0	114	P352 K353 D452 L453	P352-F455 HydrophobicContact CB-CB 4.19Å; P352-F455 HydrophobicContact CB-CD2 4.44Å; K353-F455 HydrophobicContact CD-CD1 4.27Å; K353-F455 HydrophobicContact CG-CB 3.79Å; K353-F455 HydrophobicContact CG-CD1 4.03Å; K353-F455 HydrophobicContact CG-CG 3.88Å; D452-F455 HydrophobicContact CB-CD2 3.73Å; D452-F455 HydrophobicContact CB-CE2 3.78Å; D452-F455 VanDerWaalsContact O-CD2 3.29Å; D452-F455 WeakPolarHBondContact O-CD2 3.28Å; D452-F455 PolarHBondContact O-N 2.6Å; L453-F455 PolarHBondContact O-N 2.76Å
456	I	93.2	Very high	91.2	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.015	25%	0.249	C	C	.	.	S	Bend	trans	-95.4	125.1	177.1	-58.8	174.3	0	0	0	108.3	R268 V277 P352 V355 F446 L448 L453 G454	R268-I456 PolarHBondContact NH1-O 2.86Å; R268-I456 PolarHBondContact NH2-O 3.1Å; V277-I456 HydrophobicContact CG1-CD1 3.89Å; P352-I456 HydrophobicContact CB-CD1 4.5Å; P352-I456 HydrophobicContact CB-CG1 4.43Å; P352-I456 WeakPolarHBondContact O-CG1 3.39Å; V355-I456 HydrophobicContact CB-CD1 4.36Å; V355-I456 HydrophobicContact CG1-CD1 4.04Å; F446-I456 HydrophobicContact CE1-CG2 4.14Å; F446-I456 HydrophobicContact CZ-CG2 4.01Å; L448-I456 HydrophobicContact CD1-CB 3.99Å; L448-I456 HydrophobicContact CD1-CD1 4.22Å; L448-I456 HydrophobicContact CD1-CG2 3.94Å; L448-I456 HydrophobicContact CD2-CD1 3.73Å; L448-I456 HydrophobicContact CD2-CG2 4.35Å; L453-I456 PolarHBondContact O-N 2.98Å; L453-I456 VanDerWaalsContact O-N 3.08Å; G454-I456 PolarHBondContact O-N 3.27Å
457	E	93.9	Very high	90.9	Very high	71 Å²	71	49.8 Å²	49.8	33%	0.332	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-60.3	152.6	-178.1	-72.3	-177.7	-161.8	0	0	113.1	R268 K360 L461 L462	R268-E457 PolarHBondContact NH2-O 2.96Å; R268-E457 VanDerWaalsContact NH2-O 3.13Å; K360-E457 VanDerWaalsContact CE-OE1 3.25Å; K360-E457 WeakPolarHBondContact CE-OE1 3.4Å; K360-E457 WeakPolarHBondContact CE-OE2 3.45Å; K360-E457 IonicContact NZ-OE1 2.7Å; K360-E457 PolarHBondContact NZ-OE1 3.47Å; K360-E457 IonicContact NZ-OE2 3.34Å; K360-E457 PolarHBondContact NZ-OE2 2.7Å; E457-L461 HydrophobicContact CB-CB 4.35Å; E457-L462 HydrophobicContact CB-CD2 4.11Å; E457-L462 HydrophobicContact CB-CG 4.24Å
458	P	94.3	Very high	90.5	Very high	56 Å²	56	52.6 Å²	52.6	36%	0.364	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-61.5	149.6	172.5	26.8	-35.9	0	0	0	112.1	E266 R268 Q460 L461 L462	E266-P458 WeakPolarHBondContact OE2-CA 3.49Å; R268-P458 VanDerWaalsContact NH2-CA 3.27Å; P458-Q460 PolarHBondContact O-N 2.76Å; P458-Q460 VanDerWaalsContact O-N 3.09Å; P458-L461 HydrophobicContact CG-CB 4.27Å; P458-L461 HydrophobicContact CG-CD1 3.75Å; P458-L461 HydrophobicContact CG-CG 3.87Å; P458-L461 PolarHBondContact O-N 2.7Å; P458-L462 PolarHBondContact O-N 3.15Å; P458-L462 VanDerWaalsContact O-N 3.15Å
459	L	93.8	Very high	90.1	Very high	14 Å²	14	55.7 Å²	55.7	7%	0.073	29%	0.294	C	S	.	.	H	α-helix	trans	-51	-38.9	-178.6	179.4	58.8	0	0	0	112.9	E266 L281 A444 F446 L461 L462 L463	E266-L459 HydrophobicContact CB-CB 4.36Å; E266-L459 PolarHBondContact OE2-N 3.04Å; L281-L459 HydrophobicContact CD1-CD1 3.61Å; A444-L459 HydrophobicContact CB-CD1 4.29Å; A444-L459 HydrophobicContact CB-CD2 4.39Å; A444-L459 WeakPolarHBondContact O-CD2 3.28Å; F446-L459 HydrophobicContact CB-CB 4.23Å; F446-L459 HydrophobicContact CB-CD1 3.9Å; F446-L459 HydrophobicContact CB-CD2 3.96Å; F446-L459 HydrophobicContact CB-CG 4.25Å; F446-L459 HydrophobicContact CD1-CB 4.39Å; F446-L459 HydrophobicContact CG-CD1 4.33Å; L459-L461 VanDerWaalsContact C-N 3.27Å; L459-L461 PolarHBondContact O-N 3.42Å; L459-L462 PolarHBondContact O-N 3.43Å; L459-L463 HydrophobicContact CD1-CD1 3.8Å; L459-L463 HydrophobicContact CD1-CD2 4.37Å; L459-L463 HydrophobicContact CD1-CG 3.8Å; L459-L463 HydrophobicContact CD2-CD1 4.49Å; L459-L463 HydrophobicContact CG-CD1 3.88Å; L459-L463 HydrophobicContact CG-CG 4.28Å; L459-L463 WeakPolarHBondContact O-CG 3.39Å; L459-L463 PolarHBondContact O-N 2.7Å
460	Q	91.3	Very high	89.7	Confident	155 Å²	155	59.2 Å²	59.2	72%	0.724	31%	0.312	S	S	*	.	H	α-helix	trans	-62.8	-31.1	179.5	-65.3	179.8	-1.2	0	0	113.4	P458 K464	P458-Q460 PolarHBondContact O-N 2.76Å; P458-Q460 VanDerWaalsContact O-N 3.09Å; Q460-K464 VanDerWaalsContact O-CG 3.29Å; Q460-K464 WeakPolarHBondContact O-CG 2.92Å
461	L	91.6	Very high	89.3	Confident	75 Å²	75	63.1 Å²	63.1	39%	0.393	33%	0.333	S	S	.	.	H	α-helix	trans	-81	-41.7	175.3	-67.7	-178.3	0	0	0	110.7	E457 P458 L459 L463 K464	E457-L461 HydrophobicContact CB-CB 4.35Å; P458-L461 HydrophobicContact CG-CB 4.27Å; P458-L461 HydrophobicContact CG-CD1 3.75Å; P458-L461 HydrophobicContact CG-CG 3.87Å; P458-L461 PolarHBondContact O-N 2.7Å; L459-L461 VanDerWaalsContact C-N 3.27Å; L459-L461 PolarHBondContact O-N 3.42Å; L461-L463 PolarHBondContact O-N 2.91Å; L461-K464 HydrophobicContact CD2-CD 4.37Å; L461-K464 PolarHBondContact O-N 3.09Å; L461-K464 VanDerWaalsContact O-N 3.16Å
462	L	89.8	Confident	89	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-58.8	-34.7	176.6	-65.9	176.6	0	0	0	113	I359 K360 I363 F446 E457 P458 L459	I359-L462 HydrophobicContact CG2-CD1 4.13Å; K360-L462 HydrophobicContact CD-CD2 4.27Å; K360-L462 HydrophobicContact CG-CD2 3.44Å; K360-L462 VanDerWaalsContact CG-CD2 3.44Å; I363-L462 HydrophobicContact CD1-CB 3.94Å; I363-L462 WeakPolarHBondContact CD1-O 3.25Å; F446-L462 HydrophobicContact CE1-CD1 3.88Å; F446-L462 HydrophobicContact CZ-CD1 3.9Å; E457-L462 HydrophobicContact CB-CD2 4.11Å; E457-L462 HydrophobicContact CB-CG 4.24Å; P458-L462 PolarHBondContact O-N 3.15Å; P458-L462 VanDerWaalsContact O-N 3.15Å; L459-L462 PolarHBondContact O-N 3.43Å
463	L	88.3	Confident	88.8	Confident	10 Å²	10	64.8 Å²	64.8	5%	0.052	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-9.4	-179.9	-66.9	177.7	0	0	0	114.7	W283 R367 H442 A444 L459 L461	W283-L463 HydrophobicContact CZ2-CD2 4.13Å; R367-L463 PolarHBondContact NH1-O 3.01Å; R367-L463 PolarHBondContact NH2-O 2.77Å; R367-L463 VanDerWaalsContact NH2-O 3.1Å; H442-L463 VanDerWaalsContact O-CD1 3.28Å; H442-L463 WeakPolarHBondContact O-CD1 3.42Å; A444-L463 HydrophobicContact CB-CD1 3.9Å; A444-L463 HydrophobicContact CB-CD2 4.3Å; L459-L463 HydrophobicContact CD1-CD1 3.8Å; L459-L463 HydrophobicContact CD1-CD2 4.37Å; L459-L463 HydrophobicContact CD1-CG 3.8Å; L459-L463 HydrophobicContact CD2-CD1 4.49Å; L459-L463 HydrophobicContact CG-CD1 3.88Å; L459-L463 HydrophobicContact CG-CG 4.28Å; L459-L463 WeakPolarHBondContact O-CG 3.39Å; L459-L463 PolarHBondContact O-N 2.7Å; L461-L463 PolarHBondContact O-N 2.91Å
464	K	82.9	Confident	88.5	Confident	163 Å²	163	69.8 Å²	69.8	71%	0.709	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-24.6	177.4	-86	174.5	-177.8	-177.4	0	112.8	Q460 L461	Q460-K464 VanDerWaalsContact O-CG 3.29Å; Q460-K464 WeakPolarHBondContact O-CG 2.92Å; L461-K464 HydrophobicContact CD2-CD 4.37Å; L461-K464 PolarHBondContact O-N 3.09Å; L461-K464 VanDerWaalsContact O-N 3.16Å
465	E	62.3	Low	88.3	Confident	108 Å²	108	69.7 Å²	69.7	51%	0.505	33%	0.333	S	S	.	.			trans	-76	0	173.5	-64.1	179.5	-179.8	0	0	111.5	K360 R367	K360-E465 WeakPolarHBondContact CB-OE2 3.29Å; K360-E465 WeakPolarHBondContact CD-OE1 3.35Å; K360-E465 WeakPolarHBondContact CE-OE1 3.37Å; K360-E465 WeakPolarHBondContact CG-OE2 3.36Å; K360-E465 IonicContact NZ-OE1 3.87Å; K360-E465 PolarHBondContact NZ-OE1 3.02Å; R367-E465 PolarHBondContact NH1-OXT 3.16Å

Retrieved 465 of 465 residues in 190.6 ms (Link to these results)

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