A0A077Z4Z7_TRITR Loading...

DUF229 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z4Z7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 603 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	36.3	Very low	55.7	Low	235 Å²	235	163.5 Å²	163.5	100%	1.158	79%	0.791	S	S	*	*				0	143	0	-92.6	-179.5	175	0	0	110.1
2	L	42.9	Very low	57.5	Low	164 Å²	164	165.8 Å²	165.8	86%	0.859	79%	0.786	S	S	*	*			trans	74.9	86.1	159.2	-68.9	151.6	0	0	0	118.4
3	F	45.7	Very low	59.1	Low	209 Å²	209	164 Å²	164	92%	0.917	77%	0.773	S	S	*	*			trans	-52.5	134.1	159.4	-89.3	-98.2	0	0	0	112.6	R5	F3-R5 PolarHBondContact O-N 2.77Å
4	K	49.7	Very low	60.7	Low	210 Å²	210	157.8 Å²	157.8	91%	0.913	75%	0.751	S	S	*	*			trans	-53.8	98.6	173.8	-76	173.2	173.3	173.2	0	112.4
5	R	50.4	Low	62.3	Low	246 Å²	246	154.9 Å²	154.9	93%	0.928	74%	0.742	S	S	*	*			trans	-104.3	81.8	164.3	-97.5	-173.5	171.7	-178.7	-0.3	110.4	F3	F3-R5 PolarHBondContact O-N 2.77Å
6	T	52.9	Low	63.8	Low	115 Å²	115	152.8 Å²	152.8	71%	0.706	73%	0.734	S	S	*	*			trans	-140.7	-8.7	168.5	52.6	0	0	0	0	116.3
7	S	56.6	Low	65.3	Low	100 Å²	100	149.2 Å²	149.2	70%	0.699	72%	0.724	S	S	*	*	H	α-helix	trans	-77.2	-36.2	-177	-179.7	0	0	0	0	114.4	S9	S7-S9 PolarHBondContact O-N 3.26Å
8	S	63.9	Low	66.6	Low	81 Å²	81	150.8 Å²	150.8	57%	0.566	72%	0.721	S	S	*	*	H	α-helix	trans	-68.5	-35.4	-176.1	173	0	0	0	0	113.7	R12	S8-R12 PolarHBondContact O-N 3.38Å; S8-R12 VanDerWaalsContact O-N 3.17Å
9	S	68.3	Low	67.9	Low	66 Å²	66	146.9 Å²	146.9	46%	0.462	71%	0.71	S	S	.	*	H	α-helix	trans	-68.1	-43.5	-177.1	177.2	0	0	0	0	112.6	S7 R11 R12 K13	S7-S9 PolarHBondContact O-N 3.26Å; S9-R11 PolarHBondContact O-N 3.42Å; S9-R12 PolarHBondContact O-N 2.87Å; S9-K13 WeakPolarHBondContact O-CG 3.21Å; S9-K13 PolarHBondContact O-N 3.14Å
10	K	72.2	Confident	69.1	Low	165 Å²	165	143.5 Å²	143.5	72%	0.717	70%	0.699	S	S	*	*	H	α-helix	trans	-62.3	-44.7	178	-82	-173	176.8	-177.4	0	111.6	R12 K13 T14	K10-R12 PolarHBondContact O-N 3.46Å; K10-K13 PolarHBondContact O-N 2.95Å; K10-T14 PolarHBondContact O-N 3.36Å; K10-T14 PolarHBondContact O-OG1 3.41Å
11	R	73.9	Confident	70.2	Confident	207 Å²	207	140.5 Å²	140.5	78%	0.781	69%	0.689	S	S	*	*	H	α-helix	trans	-63.1	-41	180	-127.8	177.6	-173.2	-174.4	1.8	112.4	S9 T14 L15	S9-R11 PolarHBondContact O-N 3.42Å; R11-T14 PolarHBondContact O-N 2.97Å; R11-L15 PolarHBondContact O-N 3.11Å; R11-L15 VanDerWaalsContact O-N 3.09Å
12	R	76.7	Confident	72.9	Confident	191 Å²	191	131.6 Å²	131.6	72%	0.721	65%	0.653	S	S	*	*	H	α-helix	trans	-64	-43.2	174.1	-80.2	-175.3	175.8	-174.3	-1.2	112.4	S8 S9 K10 L15 L16	S8-R12 PolarHBondContact O-N 3.38Å; S8-R12 VanDerWaalsContact O-N 3.17Å; S9-R12 PolarHBondContact O-N 2.87Å; K10-R12 PolarHBondContact O-N 3.46Å; R12-L15 PolarHBondContact O-N 3.32Å; R12-L16 WeakPolarHBondContact O-CB 3.47Å; R12-L16 PolarHBondContact O-N 2.8Å
13	K	79.1	Confident	75.2	Confident	143 Å²	143	126.6 Å²	126.6	62%	0.622	64%	0.635	S	S	*	*	H	α-helix	trans	-62.3	-44.1	176.9	-75	-174.5	178.8	-171.8	0	112	S9 K10 L15 L16 V17	S9-K13 WeakPolarHBondContact O-CG 3.21Å; S9-K13 PolarHBondContact O-N 3.14Å; K10-K13 PolarHBondContact O-N 2.95Å; K13-L15 PolarHBondContact O-N 2.82Å; K13-L16 PolarHBondContact O-N 2.88Å; K13-V17 VanDerWaalsContact O-CG2 3.32Å; K13-V17 WeakPolarHBondContact O-CG2 3.24Å; K13-V17 PolarHBondContact O-N 2.85Å
14	T	81.5	Confident	77.4	Confident	77 Å²	77	121.8 Å²	121.8	47%	0.472	62%	0.618	S	S	.	*	H	α-helix	trans	-64.7	-40.2	178.4	-50.5	0	0	0	0	112.3	K10 R11 R18	K10-T14 PolarHBondContact O-N 3.36Å; K10-T14 PolarHBondContact O-OG1 3.41Å; R11-T14 PolarHBondContact O-N 2.97Å; T14-R18 WeakPolarHBondContact O-CG 3.18Å; T14-R18 PolarHBondContact O-N 3.17Å; T14-R18 VanDerWaalsContact O-N 3.11Å
15	L	84.4	Confident	79.5	Confident	115 Å²	115	116.2 Å²	116.2	60%	0.602	60%	0.602	S	S	*	*	H	α-helix	trans	-64.6	-44.6	176.6	-169.6	70.8	0	0	0	111.2	R11 R12 K13 V17 R18 C19	R11-L15 PolarHBondContact O-N 3.11Å; R11-L15 VanDerWaalsContact O-N 3.09Å; R12-L15 PolarHBondContact O-N 3.32Å; K13-L15 PolarHBondContact O-N 2.82Å; L15-V17 PolarHBondContact O-N 3.04Å; L15-R18 PolarHBondContact O-N 2.84Å; L15-C19 PolarHBondContact O-N 2.82Å; L15-C19 PolarHBondContact O-SG 3.28Å; L15-C19 VanDerWaalsContact O-SG 3.37Å
16	L	86.6	Confident	81.5	Confident	120 Å²	120	110.1 Å²	110.1	63%	0.628	59%	0.586	S	S	*	*	H	α-helix	trans	-60.2	-44.7	178.1	-166.1	75.9	0	0	0	111.7	R12 K13 R18 C19 V20	R12-L16 WeakPolarHBondContact O-CB 3.47Å; R12-L16 PolarHBondContact O-N 2.8Å; K13-L16 PolarHBondContact O-N 2.88Å; L16-R18 VanDerWaalsContact C-N 3.34Å; L16-R18 PolarHBondContact O-N 3.43Å; L16-C19 PolarHBondContact O-N 3.25Å; L16-V20 WeakPolarHBondContact O-CG2 3.49Å; L16-V20 PolarHBondContact O-N 3.03Å
17	V	88.5	Confident	83.3	Confident	92 Å²	92	110.5 Å²	110.5	56%	0.558	58%	0.578	S	S	*	*	H	α-helix	trans	-60.9	-42.7	176.8	172.2	0	0	0	0	111.2	K13 L15 C19 V20 V21	K13-V17 VanDerWaalsContact O-CG2 3.32Å; K13-V17 WeakPolarHBondContact O-CG2 3.24Å; K13-V17 PolarHBondContact O-N 2.85Å; L15-V17 PolarHBondContact O-N 3.04Å; V17-C19 PolarHBondContact O-N 3.02Å; V17-V20 PolarHBondContact O-N 3.2Å; V17-V21 HydrophobicContact CG1-CG2 4.38Å; V17-V21 VanDerWaalsContact O-CG2 3.3Å; V17-V21 WeakPolarHBondContact O-CG2 3.22Å; V17-V21 PolarHBondContact O-N 3.32Å
18	R	89.4	Confident	84.8	Confident	179 Å²	179	107.8 Å²	107.8	68%	0.675	56%	0.562	S	S	*	*	H	α-helix	trans	-63	-41.3	176.5	-73.7	179.6	177.1	-171.1	-2.1	112.4	T14 L15 L16 A22	T14-R18 WeakPolarHBondContact O-CG 3.18Å; T14-R18 PolarHBondContact O-N 3.17Å; T14-R18 VanDerWaalsContact O-N 3.11Å; L15-R18 PolarHBondContact O-N 2.84Å; L16-R18 VanDerWaalsContact C-N 3.34Å; L16-R18 PolarHBondContact O-N 3.43Å; R18-A22 WeakPolarHBondContact O-CB 3.34Å; R18-A22 PolarHBondContact O-N 3.08Å
19	C	91.1	Very high	85.9	Confident	76 Å²	76	106.6 Å²	106.6	51%	0.514	56%	0.557	S	S	.	*	H	α-helix	trans	-64.6	-42.3	176.3	-68.4	0	0	0	0	112	L15 L16 V17 A22 A23	L15-C19 PolarHBondContact O-N 2.82Å; L15-C19 PolarHBondContact O-SG 3.28Å; L15-C19 VanDerWaalsContact O-SG 3.37Å; L16-C19 PolarHBondContact O-N 3.25Å; V17-C19 PolarHBondContact O-N 3.02Å; C19-A22 PolarHBondContact O-N 3.39Å; C19-A23 WeakPolarHBondContact O-CB 3.45Å; C19-A23 PolarHBondContact O-N 2.93Å
20	V	91.3	Very high	86.5	Confident	78 Å²	78	105.9 Å²	105.9	47%	0.473	56%	0.555	S	S	.	*	H	α-helix	trans	-65	-44.3	177.3	172.8	0	0	0	0	111.1	L16 V17 A23 L24	L16-V20 WeakPolarHBondContact O-CG2 3.49Å; L16-V20 PolarHBondContact O-N 3.03Å; V17-V20 PolarHBondContact O-N 3.2Å; V20-A23 PolarHBondContact O-N 3.1Å; V20-L24 HydrophobicContact CG1-CD1 4.01Å; V20-L24 HydrophobicContact CG1-CG 4.46Å; V20-L24 WeakPolarHBondContact O-CB 3.04Å; V20-L24 WeakPolarHBondContact O-CG 3.17Å; V20-L24 PolarHBondContact O-N 3.23Å
21	V	92.5	Very high	86.8	Confident	81 Å²	81	102.5 Å²	102.5	49%	0.491	54%	0.542	S	S	.	.	H	α-helix	trans	-62.8	-44.2	176.6	172.7	0	0	0	0	111.1	V17 A23 L24 V25	V17-V21 HydrophobicContact CG1-CG2 4.38Å; V17-V21 VanDerWaalsContact O-CG2 3.3Å; V17-V21 WeakPolarHBondContact O-CG2 3.22Å; V17-V21 PolarHBondContact O-N 3.32Å; V21-A23 PolarHBondContact O-N 2.98Å; V21-L24 PolarHBondContact O-N 3.27Å; V21-V25 HydrophobicContact CG1-CG2 4.43Å; V21-V25 VanDerWaalsContact O-CG2 3.32Å; V21-V25 WeakPolarHBondContact O-CG2 3.21Å; V21-V25 PolarHBondContact O-N 2.82Å
22	A	92.9	Very high	86.9	Confident	49 Å²	49	97.9 Å²	97.9	41%	0.405	53%	0.532	S	S	.	.	H	α-helix	trans	-61.5	-43.1	176.3	0	0	0	0	0	112	R18 C19 L24 V25 I26	R18-A22 WeakPolarHBondContact O-CB 3.34Å; R18-A22 PolarHBondContact O-N 3.08Å; C19-A22 PolarHBondContact O-N 3.39Å; A22-L24 PolarHBondContact O-N 3.27Å; A22-V25 PolarHBondContact O-N 2.61Å; A22-I26 WeakPolarHBondContact O-CB 3.28Å; A22-I26 VanDerWaalsContact O-CG1 3.24Å; A22-I26 WeakPolarHBondContact O-CG1 3.41Å; A22-I26 PolarHBondContact O-N 3.36Å
23	A	91.6	Very high	86.7	Confident	58 Å²	58	97.3 Å²	97.3	48%	0.479	53%	0.53	S	S	.	.	H	α-helix	trans	-63	-40.9	176.4	0	0	0	0	0	112.1	C19 V20 V21 I26 F27	C19-A23 WeakPolarHBondContact O-CB 3.45Å; C19-A23 PolarHBondContact O-N 2.93Å; V20-A23 PolarHBondContact O-N 3.1Å; V21-A23 PolarHBondContact O-N 2.98Å; A23-I26 PolarHBondContact O-N 2.84Å; A23-F27 VanDerWaalsContact O-CB 3.25Å; A23-F27 WeakPolarHBondContact O-CB 3.42Å; A23-F27 PolarHBondContact O-N 2.81Å
24	L	93.1	Very high	85.9	Confident	109 Å²	109	92.3 Å²	92.3	57%	0.571	52%	0.515	S	S	*	.	H	α-helix	trans	-66.3	-39.4	175.8	-72.8	171.2	0	0	0	112.3	V20 V21 A22 F27 A28	V20-L24 HydrophobicContact CG1-CD1 4.01Å; V20-L24 HydrophobicContact CG1-CG 4.46Å; V20-L24 WeakPolarHBondContact O-CB 3.04Å; V20-L24 WeakPolarHBondContact O-CG 3.17Å; V20-L24 PolarHBondContact O-N 3.23Å; V21-L24 PolarHBondContact O-N 3.27Å; A22-L24 PolarHBondContact O-N 3.27Å; L24-F27 PolarHBondContact O-N 2.77Å; L24-A28 VanDerWaalsContact O-CB 3.25Å; L24-A28 WeakPolarHBondContact O-CB 3.04Å; L24-A28 PolarHBondContact O-N 3.34Å
25	V	93.6	Very high	85	Confident	93 Å²	93	93.3 Å²	93.3	56%	0.564	52%	0.518	S	S	*	.	H	α-helix	trans	-66.4	-42.9	175.5	171.6	0	0	0	0	111	V21 A22 F27 A28 A29	V21-V25 HydrophobicContact CG1-CG2 4.43Å; V21-V25 VanDerWaalsContact O-CG2 3.32Å; V21-V25 WeakPolarHBondContact O-CG2 3.21Å; V21-V25 PolarHBondContact O-N 2.82Å; A22-V25 PolarHBondContact O-N 2.61Å; V25-F27 VanDerWaalsContact C-N 3.35Å; V25-A28 PolarHBondContact O-N 2.9Å; V25-A29 VanDerWaalsContact O-CB 3.23Å; V25-A29 WeakPolarHBondContact O-CB 3.11Å; V25-A29 PolarHBondContact O-N 2.71Å
26	I	92.4	Very high	83.9	Confident	118 Å²	118	93.6 Å²	93.6	61%	0.605	52%	0.52	S	S	*	.	H	α-helix	trans	-63.4	-43.3	175.4	-68.8	165.2	0	0	0	110.3	A22 A23 A29 A30	A22-I26 WeakPolarHBondContact O-CB 3.28Å; A22-I26 VanDerWaalsContact O-CG1 3.24Å; A22-I26 WeakPolarHBondContact O-CG1 3.41Å; A22-I26 PolarHBondContact O-N 3.36Å; A23-I26 PolarHBondContact O-N 2.84Å; I26-A29 PolarHBondContact O-N 2.7Å; I26-A30 VanDerWaalsContact O-CB 3.25Å; I26-A30 WeakPolarHBondContact O-CB 3.48Å; I26-A30 PolarHBondContact O-N 2.94Å
27	F	89.9	Confident	82.1	Confident	122 Å²	122	91.6 Å²	91.6	54%	0.535	51%	0.51	S	S	.	.	H	α-helix	trans	-65.6	-43.9	177.9	-174.6	-105.3	0	0	0	111.9	A23 L24 V25 A30 Q31	A23-F27 VanDerWaalsContact O-CB 3.25Å; A23-F27 WeakPolarHBondContact O-CB 3.42Å; A23-F27 PolarHBondContact O-N 2.81Å; L24-F27 PolarHBondContact O-N 2.77Å; V25-F27 VanDerWaalsContact C-N 3.35Å; F27-A30 PolarHBondContact O-N 3.11Å; F27-Q31 HydrophobicContact CD1-CG 4.31Å; F27-Q31 HydrophobicContact CE1-CG 4.06Å; F27-Q31 VanDerWaalsContact CE1-OE1 3.29Å; F27-Q31 HydrophobicContact CZ-CG 4.18Å; F27-Q31 WeakPolarHBondContact O-CB 3.48Å; F27-Q31 WeakPolarHBondContact O-CG 3.32Å; F27-Q31 PolarHBondContact O-N 2.87Å
28	A	88.1	Confident	79.8	Confident	43 Å²	43	94.4 Å²	94.4	36%	0.355	52%	0.516	S	S	.	.	H	α-helix	trans	-64.6	-39.4	175.1	0	0	0	0	0	111.9	L24 V25 Q31 L32	L24-A28 VanDerWaalsContact O-CB 3.25Å; L24-A28 WeakPolarHBondContact O-CB 3.04Å; L24-A28 PolarHBondContact O-N 3.34Å; V25-A28 PolarHBondContact O-N 2.9Å; A28-Q31 PolarHBondContact O-N 2.88Å; A28-L32 WeakPolarHBondContact O-CB 3.36Å; A28-L32 PolarHBondContact O-N 3.1Å
29	A	86.9	Confident	77.4	Confident	57 Å²	57	94 Å²	94	47%	0.471	52%	0.52	S	S	.	.	H	α-helix	trans	-67.2	-38.9	174.3	0	0	0	0	0	111.8	V25 I26 L32 W33	V25-A29 VanDerWaalsContact O-CB 3.23Å; V25-A29 WeakPolarHBondContact O-CB 3.11Å; V25-A29 PolarHBondContact O-N 2.71Å; I26-A29 PolarHBondContact O-N 2.7Å; A29-L32 PolarHBondContact O-N 2.78Å; A29-W33 WeakPolarHBondContact O-CB 3.24Å; A29-W33 PolarHBondContact O-N 2.84Å
30	A	80.8	Confident	74.8	Confident	51 Å²	51	93.9 Å²	93.9	42%	0.421	52%	0.517	S	S	.	.	H	α-helix	trans	-67.4	-38.3	174.3	0	0	0	0	0	111.5	I26 F27 A34	I26-A30 VanDerWaalsContact O-CB 3.25Å; I26-A30 WeakPolarHBondContact O-CB 3.48Å; I26-A30 PolarHBondContact O-N 2.94Å; F27-A30 PolarHBondContact O-N 3.11Å; A30-A34 WeakPolarHBondContact O-CB 3.5Å; A30-A34 PolarHBondContact O-N 2.91Å
31	Q	79.1	Confident	72.2	Confident	94 Å²	94	97.4 Å²	97.4	44%	0.439	53%	0.528	S	S	.	.	H	α-helix	trans	-70.4	-37.2	173.1	-76.5	-179.9	-38.5	0	0	112.2	F27 A28 N35	F27-Q31 HydrophobicContact CD1-CG 4.31Å; F27-Q31 HydrophobicContact CE1-CG 4.06Å; F27-Q31 VanDerWaalsContact CE1-OE1 3.29Å; F27-Q31 HydrophobicContact CZ-CG 4.18Å; F27-Q31 WeakPolarHBondContact O-CB 3.48Å; F27-Q31 WeakPolarHBondContact O-CG 3.32Å; F27-Q31 PolarHBondContact O-N 2.87Å; A28-Q31 PolarHBondContact O-N 2.88Å; Q31-N35 WeakPolarHBondContact O-CB 3.47Å; Q31-N35 VanDerWaalsContact O-CG 3.29Å; Q31-N35 PolarHBondContact O-N 3.01Å; Q31-N35 PolarHBondContact O-ND2 3.4Å
32	L	76.2	Confident	69.6	Low	110 Å²	110	95 Å²	95	58%	0.576	51%	0.514	S	S	*	.	H	α-helix	trans	-66.9	-43.4	172.8	-117	112.7	0	0	0	110.4	A28 A29 N35 L36	A28-L32 WeakPolarHBondContact O-CB 3.36Å; A28-L32 PolarHBondContact O-N 3.1Å; A29-L32 PolarHBondContact O-N 2.78Å; L32-N35 PolarHBondContact O-N 2.76Å; L32-L36 HydrophobicContact CD2-CD1 4.19Å; L32-L36 WeakPolarHBondContact O-CB 3.45Å; L32-L36 WeakPolarHBondContact O-CD1 3.34Å; L32-L36 WeakPolarHBondContact O-CG 3.38Å; L32-L36 PolarHBondContact O-N 2.95Å
33	W	71.7	Confident	67.2	Low	178 Å²	178	96.6 Å²	96.6	67%	0.674	52%	0.522	S	S	*	.	H	α-helix	trans	-65.3	-41.8	176.6	-175.2	81.5	0	0	0	111.3	A29 L36 N37	A29-W33 WeakPolarHBondContact O-CB 3.24Å; A29-W33 PolarHBondContact O-N 2.84Å; W33-L36 PolarHBondContact O-N 2.91Å; W33-N37 WeakPolarHBondContact CZ2-ND2 3.4Å; W33-N37 PolarHBondContact NE1-ND2 2.97Å; W33-N37 VanDerWaalsContact O-CB 3.22Å; W33-N37 WeakPolarHBondContact O-CB 3.45Å; W33-N37 PolarHBondContact O-N 2.7Å
34	A	62.2	Low	64.9	Low	38 Å²	38	98 Å²	98	31%	0.314	52%	0.518	S	S	.	.	H	α-helix	trans	-64.3	-46.7	172.9	0	0	0	0	0	111	A30 L36 N37 E38	A30-A34 WeakPolarHBondContact O-CB 3.5Å; A30-A34 PolarHBondContact O-N 2.91Å; A34-L36 PolarHBondContact O-N 3.23Å; A34-N37 CarbonylContact O-C 3.51Å; A34-N37 PolarHBondContact O-N 2.77Å; A34-E38 WeakPolarHBondContact O-CA 3.04Å; A34-E38 WeakPolarHBondContact O-CB 3.37Å; A34-E38 WeakPolarHBondContact O-CG 3.3Å; A34-E38 PolarHBondContact O-N 2.84Å
35	N	63.6	Low	62.9	Low	99 Å²	99	97.1 Å²	97.1	53%	0.529	51%	0.509	S	S	.	.	H	α-helix	trans	-65.9	-36.2	176.2	-80.2	-45.1	0	0	0	112.7	Q31 L32 N37	Q31-N35 WeakPolarHBondContact O-CB 3.47Å; Q31-N35 VanDerWaalsContact O-CG 3.29Å; Q31-N35 PolarHBondContact O-N 3.01Å; Q31-N35 PolarHBondContact O-ND2 3.4Å; L32-N35 PolarHBondContact O-N 2.76Å; N35-N37 VanDerWaalsContact C-N 3.34Å
36	L	61.1	Low	60.8	Low	121 Å²	121	96 Å²	96	63%	0.634	50%	0.495	S	S	*	.	H	α-helix	trans	-69.2	-32.2	175.3	-76.4	166.4	0	0	0	111.7	L32 W33 A34	L32-L36 HydrophobicContact CD2-CD1 4.19Å; L32-L36 WeakPolarHBondContact O-CB 3.45Å; L32-L36 WeakPolarHBondContact O-CD1 3.34Å; L32-L36 WeakPolarHBondContact O-CG 3.38Å; L32-L36 PolarHBondContact O-N 2.95Å; W33-L36 PolarHBondContact O-N 2.91Å; A34-L36 PolarHBondContact O-N 3.23Å
37	N	48.7	Very low	58.9	Low	78 Å²	78	91.1 Å²	91.1	42%	0.417	47%	0.471	S	S	.	.	H	α-helix	trans	-99.7	-15.7	-179.3	-75.3	-12.7	0	0	0	114.9	W33 A34 N35 F39	W33-N37 WeakPolarHBondContact CZ2-ND2 3.4Å; W33-N37 PolarHBondContact NE1-ND2 2.97Å; W33-N37 VanDerWaalsContact O-CB 3.22Å; W33-N37 WeakPolarHBondContact O-CB 3.45Å; W33-N37 PolarHBondContact O-N 2.7Å; A34-N37 CarbonylContact O-C 3.51Å; A34-N37 PolarHBondContact O-N 2.77Å; N35-N37 VanDerWaalsContact C-N 3.34Å; N37-F39 PolarHBondContact O-N 3.38Å
38	E	39.7	Very low	56.9	Low	150 Å²	150	87.2 Å²	87.2	70%	0.701	46%	0.458	S	S	*	.	H	α-helix	trans	-68.6	-26	171.7	-93.1	-172.1	155.6	0	0	110.1	A34 V40	A34-E38 WeakPolarHBondContact O-CA 3.04Å; A34-E38 WeakPolarHBondContact O-CB 3.37Å; A34-E38 WeakPolarHBondContact O-CG 3.3Å; A34-E38 PolarHBondContact O-N 2.84Å; E38-V40 PolarHBondContact O-N 3Å; E38-V40 VanDerWaalsContact O-N 3.15Å
39	F	38.2	Very low	55	Low	170 Å²	170	87.6 Å²	87.6	75%	0.746	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	102.6	160.2	-78.2	-85.4	0	0	0	109.3	N37	N37-F39 PolarHBondContact O-N 3.38Å
40	V	37.8	Very low	53	Low	74 Å²	74	89.7 Å²	89.7	45%	0.448	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.5	51.1	164.4	-152.2	0	0	0	0	116.6	E38 N465 T468	E38-V40 PolarHBondContact O-N 3Å; E38-V40 VanDerWaalsContact O-N 3.15Å; V40-N465 HydrophobicContact CG1-CB 4.49Å; V40-T468 HydrophobicContact CG1-CG2 3.69Å
41	Q	35.9	Very low	51.3	Low	153 Å²	153	91.9 Å²	91.9	72%	0.715	48%	0.478	S	S	*	.	S	Bend	trans	-81.5	113.9	130.4	-68.1	-64.6	-42.8	0	0	105.4	S43	Q41-S43 PolarHBondContact O-N 2.96Å
42	P	38.5	Very low	50	Low	30 Å²	30	90.4 Å²	90.4	20%	0.195	47%	0.469	C	S	.	.			trans	-57	114	174.4	23.6	-29.9	0	0	0	106.2	F44 L470	P42-F44 PolarHBondContact O-N 3.33Å; P42-L470 HydrophobicContact CG-CD2 4.18Å
43	S	42	Very low	48.9	Very low	82 Å²	82	87.2 Å²	87.2	57%	0.573	46%	0.456	S	S	*	.			trans	-52.3	112.1	166.2	-42	0	0	0	0	104.9	Q41 F45	Q41-S43 PolarHBondContact O-N 2.96Å; S43-F45 WeakPolarHBondContact O-CD2 3.22Å; S43-F45 WeakPolarHBondContact O-CE2 3.2Å; S43-F45 PolarHBondContact O-N 3.41Å
44	F	43.7	Very low	48.5	Very low	88 Å²	88	86.4 Å²	86.4	39%	0.386	46%	0.457	S	S	.	.			trans	-65.1	104.4	178.4	-69.2	-89.5	0	0	0	106.6	P42 Y46 L470	P42-F44 PolarHBondContact O-N 3.33Å; F44-Y46 HydrophobicContact CB-CD2 3.84Å; F44-Y46 HydrophobicContact CB-CE1 4.48Å; F44-Y46 HydrophobicContact CB-CE2 3.25Å; F44-Y46 HydrophobicContact CG-CE2 4.1Å; F44-Y46 WeakPolarHBondContact O-CD2 3.22Å; F44-Y46 PolarHBondContact O-N 3.45Å; F44-L470 HydrophobicContact CE1-CD2 4.15Å
45	F	51.1	Low	49.1	Very low	91 Å²	91	86.1 Å²	86.1	40%	0.399	46%	0.455	S	S	.	.			trans	-79.6	91.1	177.5	-66.2	-78.6	0	0	0	108.1	S43 V47 L509	S43-F45 WeakPolarHBondContact O-CD2 3.22Å; S43-F45 WeakPolarHBondContact O-CE2 3.2Å; S43-F45 PolarHBondContact O-N 3.41Å; F45-V47 PolarHBondContact O-N 2.94Å; F45-L509 HydrophobicContact CB-CD2 3.84Å; F45-L509 HydrophobicContact CD2-CD2 4.35Å; F45-L509 HydrophobicContact CG-CD2 4.05Å
46	Y	50.2	Low	50	Low	68 Å²	68	82.5 Å²	82.5	27%	0.267	44%	0.437	S	S	.	.			trans	-84.4	111.1	173	-69.5	-62.7	0	0	0	108.8	F44 P48 L530 T534 A536 P559	F44-Y46 HydrophobicContact CB-CD2 3.84Å; F44-Y46 HydrophobicContact CB-CE1 4.48Å; F44-Y46 HydrophobicContact CB-CE2 3.25Å; F44-Y46 HydrophobicContact CG-CE2 4.1Å; F44-Y46 WeakPolarHBondContact O-CD2 3.22Å; F44-Y46 PolarHBondContact O-N 3.45Å; Y46-P48 WeakPolarHBondContact O-CD 3.33Å; Y46-L530 HydrophobicContact CD1-CD2 4.2Å; Y46-L530 HydrophobicContact CD2-CD2 3.66Å; Y46-L530 HydrophobicContact CE2-CD2 4.26Å; Y46-L530 HydrophobicContact CG-CD2 3.6Å; Y46-T534 HydrophobicContact CD1-CG2 4.49Å; Y46-T534 HydrophobicContact CG-CG2 4.43Å; Y46-A536 HydrophobicContact CD1-CB 4.38Å; Y46-A536 HydrophobicContact CE1-CB 4.38Å; Y46-P559 HydrophobicContact CD1-CB 3.89Å; Y46-P559 HydrophobicContact CD1-CG 3.5Å; Y46-P559 HydrophobicContact CE1-CB 3.4Å; Y46-P559 HydrophobicContact CE1-CG 3.44Å; Y46-P559 VanDerWaalsContact CE1-CG 3.44Å; Y46-P559 HydrophobicContact CE2-CB 4.11Å; Y46-P559 HydrophobicContact CG-CB 4.44Å; Y46-P559 HydrophobicContact CG-CG 4.22Å
47	V	51.1	Low	50.7	Low	16 Å²	16	83.7 Å²	83.7	10%	0.097	44%	0.437	C	S	.	.	B	Isolated β-bridge	trans	-100.9	114.4	177.6	176.7	0	0	0	0	109.5	F45 L51 Y52 P510 I512	F45-V47 PolarHBondContact O-N 2.94Å; V47-L51 HydrophobicContact CG1-CB 3.96Å; V47-Y52 HydrophobicContact CB-CE2 4.34Å; V47-Y52 HydrophobicContact CG1-CD2 4.07Å; V47-Y52 HydrophobicContact CG1-CE2 3.86Å; V47-P510 HydrophobicContact CB-CG 4Å; V47-P510 HydrophobicContact CG1-CB 4.31Å; V47-P510 HydrophobicContact CG1-CG 3.79Å; V47-P510 HydrophobicContact CG2-CG 4.21Å; V47-I512 HydrophobicContact CB-CD1 4.25Å; V47-I512 HydrophobicContact CG1-CD1 3.27Å; V47-I512 HydrophobicContact CG2-CD1 3.93Å
48	P	48.8	Very low	51.9	Low	40 Å²	40	80.7 Å²	80.7	26%	0.26	42%	0.423	S	S	.	.			trans	-54.6	138.9	170.8	-27	33.1	0	0	0	111	Y46 A50 L51	Y46-P48 WeakPolarHBondContact O-CD 3.33Å; P48-A50 PolarHBondContact O-N 3.37Å; P48-L51 HydrophobicContact CB-CD1 4.26Å; P48-L51 HydrophobicContact CG-CD1 3.89Å; P48-L51 WeakPolarHBondContact O-CB 3.44Å; P48-L51 PolarHBondContact O-N 3.2Å
49	P	47.7	Very low	53.5	Low	52 Å²	52	75.8 Å²	75.8	34%	0.338	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-51	-32.3	177.4	-31.3	37.4	0	0	0	114.3	L51 Y52 T533 Y535	P49-L51 PolarHBondContact O-N 3.29Å; P49-Y52 VanDerWaalsContact CA-CD2 3.45Å; P49-Y52 WeakPolarHBondContact O-CD2 3.46Å; P49-Y52 PolarHBondContact O-N 3.16Å; P49-T533 WeakPolarHBondContact CD-O 3.23Å; P49-T533 WeakPolarHBondContact CD-OG1 3.49Å; P49-T533 WeakPolarHBondContact CG-O 3.44Å; P49-T533 WeakPolarHBondContact CG-OG1 3.26Å; P49-Y535 HydrophobicContact CG-CE1 4.5Å
50	A	44.8	Very low	55.5	Low	100 Å²	100	73.8 Å²	73.8	83%	0.826	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-66.2	-19.5	177.8	0	0	0	0	0	114.4	P48	P48-A50 PolarHBondContact O-N 3.37Å
51	L	45	Very low	57.8	Low	97 Å²	97	71.3 Å²	71.3	51%	0.508	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-93.5	-7.4	179.7	-79.2	161.3	0	0	0	113.2	V47 P48 P49 S53 I512	V47-L51 HydrophobicContact CG1-CB 3.96Å; P48-L51 HydrophobicContact CB-CD1 4.26Å; P48-L51 HydrophobicContact CG-CD1 3.89Å; P48-L51 WeakPolarHBondContact O-CB 3.44Å; P48-L51 PolarHBondContact O-N 3.2Å; P49-L51 PolarHBondContact O-N 3.29Å; L51-S53 PolarHBondContact O-N 3.37Å; L51-I512 HydrophobicContact CB-CD1 3.72Å; L51-I512 HydrophobicContact CB-CG1 4.29Å; L51-I512 WeakPolarHBondContact O-CD1 3.47Å; L51-I512 WeakPolarHBondContact O-CG1 3.41Å
52	Y	52.5	Low	60.4	Low	63 Å²	63	67.8 Å²	67.8	25%	0.247	37%	0.368	C	S	.	.	S	Bend	trans	-58.7	126.1	169.9	-74.3	-108.9	0	0	0	108.1	V47 P49 K54 P510 Y535	V47-Y52 HydrophobicContact CB-CE2 4.34Å; V47-Y52 HydrophobicContact CG1-CD2 4.07Å; V47-Y52 HydrophobicContact CG1-CE2 3.86Å; P49-Y52 VanDerWaalsContact CA-CD2 3.45Å; P49-Y52 WeakPolarHBondContact O-CD2 3.46Å; P49-Y52 PolarHBondContact O-N 3.16Å; Y52-K54 PolarHBondContact O-N 3.08Å; Y52-P510 HydrophobicContact CD1-CB 3.48Å; Y52-P510 VanDerWaalsContact CD1-CB 3.48Å; Y52-P510 HydrophobicContact CD1-CG 3.58Å; Y52-P510 HydrophobicContact CD2-CB 4.38Å; Y52-P510 HydrophobicContact CD2-CG 4.22Å; Y52-P510 HydrophobicContact CE1-CB 3.66Å; Y52-P510 HydrophobicContact CE1-CG 3.17Å; Y52-P510 HydrophobicContact CE2-CG 3.9Å; Y52-P510 HydrophobicContact CG-CB 3.86Å; Y52-P510 HydrophobicContact CG-CG 4.07Å; Y52-Y535 HydrophobicContact CE1-CE2 4.39Å; Y52-Y535 AromaticContact CZ-CE2 3.73Å; Y52-Y535 AromaticContact CZ-CZ 3.64Å; Y52-Y535 WeakPolarHBondContact OH-CE2 3.29Å; Y52-Y535 PolarHBondContact OH-OH 2.89Å
53	S	53.2	Low	63	Low	44 Å²	44	67.2 Å²	67.2	31%	0.308	36%	0.364	S	S	.	.			trans	-58.7	120.1	175.5	64.7	0	0	0	0	108.1	L51 A55 G511	L51-S53 PolarHBondContact O-N 3.37Å; S53-A55 PolarHBondContact O-N 2.71Å; S53-A55 PolarHBondContact OG-O 2.65Å; S53-G511 WeakPolarHBondContact CB-O 3.11Å
54	K	62.3	Low	65.4	Low	161 Å²	161	68.7 Å²	68.7	70%	0.7	36%	0.357	S	S	*	.	S	Bend	trans	-56.8	-40.5	174.8	-68.7	-173.1	176.9	-175.6	0	110.1	Y52 D443 S445	Y52-K54 PolarHBondContact O-N 3.08Å; K54-D443 CarbonylContact C-O 3.32Å; K54-S445 WeakPolarHBondContact O-CA 3.2Å; K54-S445 WeakPolarHBondContact O-CB 3.46Å
55	A	75.1	Confident	67.7	Low	31 Å²	31	66.5 Å²	66.5	26%	0.256	35%	0.349	S	S	.	.	S	Bend	trans	-80.1	130.7	175.8	0	0	0	0	0	113	S53 D443	S53-A55 PolarHBondContact O-N 2.71Å; S53-A55 PolarHBondContact OG-O 2.65Å; A55-D443 HydrophobicContact CB-CB 3.96Å
56	C	83.2	Confident	69.6	Low	23 Å²	23	66.8 Å²	66.8	16%	0.155	36%	0.36	C	S	.	.			trans	-70	131.2	165	-178.2	0	0	0	0	111.1	L394 R444 C458	C56-L394 HydrophobicContact CB-CB 4.17Å; C56-L394 HydrophobicContact CB-CD2 3.87Å; C56-R444 VanDerWaalsContact CB-O 3.24Å; C56-R444 WeakPolarHBondContact CB-O 3.45Å; C56-R444 PolarHBondContact N-O 2.82Å; C56-R444 VanDerWaalsContact N-O 3.09Å; C56-C458 HydrophobicContact CB-CB 3.86Å; C56-C458 WeakPolarHBondContact CB-SG 3.32Å; C56-C458 WeakPolarHBondContact SG-CB 3.25Å; C56-C458 CovalentContact SG-SG 2.02Å; C56-C458 PolarHBondContact SG-SG 3.47Å
57	K	75.8	Confident	71.5	Confident	146 Å²	146	68.1 Å²	68.1	64%	0.635	37%	0.371	S	S	*	.			trans	-113.1	94.4	163.2	-67.7	-174.6	179.4	-175.9	0	108.3
58	A	74.3	Confident	73.3	Confident	15 Å²	15	67.4 Å²	67.4	12%	0.124	37%	0.367	C	S	.	.			trans	-62.1	138.8	176.7	0	0	0	0	0	109.9	Q60 S184	A58-Q60 PolarHBondContact O-N 3.05Å; A58-S184 VanDerWaalsContact CB-OG 3.24Å; A58-S184 WeakPolarHBondContact CB-OG 3.44Å
59	P	72.4	Confident	75.2	Confident	47 Å²	47	69.4 Å²	69.4	31%	0.305	38%	0.375	S	S	.	.			trans	-66.3	134	178.3	26.6	-33.7	0	0	0	110	I61 M361 T457	P59-I61 HydrophobicContact CG-CG1 4.43Å; P59-I61 PolarHBondContact O-N 3.3Å; P59-I61 VanDerWaalsContact O-N 3.14Å; P59-M361 HydrophobicContact CG-CE 4.44Å; P59-M361 HydrophobicContact CG-SD 4.36Å; P59-T457 WeakPolarHBondContact CD-O 3.14Å
60	Q	80.6	Confident	77.4	Confident	128 Å²	128	71.3 Å²	71.3	60%	0.598	39%	0.387	S	S	*	.			trans	-80	93.6	168.4	-67.4	-64.8	-36.7	0	0	108.1	A58 D62	A58-Q60 PolarHBondContact O-N 3.05Å; Q60-D62 PolarHBondContact O-N 3.23Å
61	I	85.3	Confident	79.6	Confident	23 Å²	23	70 Å²	70	12%	0.118	36%	0.361	C	S	.	.			trans	-75.7	123.1	180	-55	167.3	0	0	0	108.3	P59 P63 V358 M361 E362	P59-I61 HydrophobicContact CG-CG1 4.43Å; P59-I61 PolarHBondContact O-N 3.3Å; P59-I61 VanDerWaalsContact O-N 3.14Å; I61-P63 VanDerWaalsContact O-CD 3.24Å; I61-P63 WeakPolarHBondContact O-CD 3.21Å; I61-V358 HydrophobicContact CG2-CG1 3.64Å; I61-M361 HydrophobicContact CD1-CB 3.46Å; I61-M361 VanDerWaalsContact CD1-CB 3.46Å; I61-M361 HydrophobicContact CG1-CB 4.16Å; I61-E362 HydrophobicContact CD1-CG 4.47Å
62	D	90.5	Very high	81.9	Confident	79 Å²	79	68.2 Å²	68.2	42%	0.422	35%	0.348	S	S	.	.			trans	-67.2	118.4	168.7	-179.3	3.9	0	0	0	109.2	Q60 W64 D65	Q60-D62 PolarHBondContact O-N 3.23Å; D62-W64 PolarHBondContact O-N 2.99Å; D62-W64 VanDerWaalsContact O-N 3.08Å; D62-W64 PolarHBondContact OD1-N 3.27Å; D62-D65 HydrophobicContact CB-CB 4.28Å; D62-D65 WeakPolarHBondContact O-CB 3.41Å; D62-D65 PolarHBondContact O-N 3.32Å; D62-D65 VanDerWaalsContact O-N 3.15Å
63	P	92.5	Very high	83.8	Confident	18 Å²	18	71.2 Å²	71.2	12%	0.117	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-21.7	174.8	-24.5	36.4	0	0	0	113.6	I61 V163 R164	I61-P63 VanDerWaalsContact O-CD 3.24Å; I61-P63 WeakPolarHBondContact O-CD 3.21Å; P63-V163 HydrophobicContact CB-CB 4.04Å; P63-V163 HydrophobicContact CB-CG1 3.96Å; P63-V163 HydrophobicContact CG-CB 4Å; P63-V163 HydrophobicContact CG-CG1 3.92Å; P63-V163 HydrophobicContact CG-CG2 4.34Å; P63-R164 HydrophobicContact CB-CG 4.2Å; P63-R164 WeakPolarHBondContact O-CD 2.72Å; P63-R164 VanDerWaalsContact O-CG 3.26Å; P63-R164 WeakPolarHBondContact O-CG 3.34Å; P63-R164 PolarHBondContact O-NH1 2.78Å
64	W	94.2	Very high	85.7	Confident	113 Å²	113	75.1 Å²	75.1	43%	0.428	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	21.4	-178.4	-53.8	104.2	0	0	0	113.3	D62 L69 Y72 R164	D62-W64 PolarHBondContact O-N 2.99Å; D62-W64 VanDerWaalsContact O-N 3.08Å; D62-W64 PolarHBondContact OD1-N 3.27Å; W64-L69 HydrophobicContact CB-CD2 4.37Å; W64-L69 HydrophobicContact CE3-CD2 4.01Å; W64-Y72 HydrophobicContact CZ3-CD1 4.25Å; W64-Y72 HydrophobicContact CZ3-CE1 4.13Å; W64-R164 HydrophobicContact CD2-CG 4.27Å; W64-R164 HydrophobicContact CE3-CG 4.01Å; W64-R164 HydrophobicContact CH2-CB 4.04Å; W64-R164 HydrophobicContact CH2-CG 3.85Å; W64-R164 HydrophobicContact CZ2-CB 4.47Å; W64-R164 HydrophobicContact CZ2-CG 4.11Å; W64-R164 HydrophobicContact CZ3-CB 4.3Å; W64-R164 HydrophobicContact CZ3-CG 3.79Å
65	D	90.9	Very high	87.1	Confident	42 Å²	42	69.1 Å²	69.1	23%	0.225	35%	0.35	C	S	.	.			trans	-49.2	133.7	177.3	-172.1	-65.9	0	0	0	111.2	D62 L67 V68 L69 V358	D62-D65 HydrophobicContact CB-CB 4.28Å; D62-D65 WeakPolarHBondContact O-CB 3.41Å; D62-D65 PolarHBondContact O-N 3.32Å; D62-D65 VanDerWaalsContact O-N 3.15Å; D65-L67 PolarHBondContact O-N 3.09Å; D65-L67 VanDerWaalsContact OD1-CB 3.23Å; D65-L67 WeakPolarHBondContact OD1-CB 3.36Å; D65-L67 WeakPolarHBondContact OD1-CG 3.34Å; D65-L67 PolarHBondContact OD1-N 3.29Å; D65-V68 HydrophobicContact CB-CG2 4.35Å; D65-V68 WeakPolarHBondContact O-CA 3.49Å; D65-V68 PolarHBondContact O-N 3.21Å; D65-L69 PolarHBondContact O-N 2.62Å; D65-V358 HydrophobicContact CB-CG2 4.29Å
66	P	91.9	Very high	87.9	Confident	97 Å²	97	72.5 Å²	72.5	63%	0.63	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-27.2	179.6	-28.5	35.6	0	0	0	114.9	V68 P70	P66-V68 PolarHBondContact O-N 2.93Å; P66-P70 VanDerWaalsContact O-CD 3.24Å; P66-P70 WeakPolarHBondContact O-CD 3.44Å
67	L	88.9	Confident	88.3	Confident	95 Å²	95	76.5 Å²	76.5	50%	0.497	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-17.5	175.7	-62.1	177.1	0	0	0	113.1	D65 Y71 V358	D65-L67 PolarHBondContact O-N 3.09Å; D65-L67 VanDerWaalsContact OD1-CB 3.23Å; D65-L67 WeakPolarHBondContact OD1-CB 3.36Å; D65-L67 WeakPolarHBondContact OD1-CG 3.34Å; D65-L67 PolarHBondContact OD1-N 3.29Å; L67-Y71 VanDerWaalsContact O-CE2 3.27Å; L67-Y71 WeakPolarHBondContact O-CE2 3.23Å; L67-V358 HydrophobicContact CB-CG2 4.16Å; L67-V358 HydrophobicContact CD1-CG2 4.05Å
68	V	88.3	Confident	89.1	Confident	1 Å²	1	71 Å²	71	1%	0.006	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-32.3	-179.9	-178.9	0	0	0	0	112.3	D65 P66 P70 Y71 Y72 R164 I353 V358	D65-V68 HydrophobicContact CB-CG2 4.35Å; D65-V68 WeakPolarHBondContact O-CA 3.49Å; D65-V68 PolarHBondContact O-N 3.21Å; P66-V68 PolarHBondContact O-N 2.93Å; V68-P70 VanDerWaalsContact C-N 3.31Å; V68-P70 VanDerWaalsContact O-N 3.15Å; V68-Y71 WeakPolarHBondContact O-CB 3.33Å; V68-Y71 PolarHBondContact O-N 3.08Å; V68-Y72 PolarHBondContact O-N 3.17Å; V68-R164 VanDerWaalsContact CG1-CZ 3.49Å; V68-I353 HydrophobicContact CG1-CD1 3.8Å; V68-I353 HydrophobicContact CG2-CD1 4.38Å; V68-V358 HydrophobicContact CG2-CB 3.73Å; V68-V358 HydrophobicContact CG2-CG1 3.27Å; V68-V358 HydrophobicContact CG2-CG2 4.43Å
69	L	89.7	Confident	89.9	Confident	83 Å²	83	76.1 Å²	76.1	44%	0.435	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-49.4	-40.6	-176.5	-65.9	180	0	0	0	114.7	W64 D65 Y71 Y72	W64-L69 HydrophobicContact CB-CD2 4.37Å; W64-L69 HydrophobicContact CE3-CD2 4.01Å; D65-L69 PolarHBondContact O-N 2.62Å; L69-Y71 PolarHBondContact O-N 2.82Å; L69-Y71 VanDerWaalsContact O-N 3.11Å; L69-Y72 PolarHBondContact O-N 3.16Å
70	P	93.6	Very high	90.8	Very high	91 Å²	91	74.7 Å²	74.7	59%	0.591	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-61.3	-21.1	177.8	-25.5	36	0	0	0	114.7	P66 V68	P66-P70 VanDerWaalsContact O-CD 3.24Å; P66-P70 WeakPolarHBondContact O-CD 3.44Å; V68-P70 VanDerWaalsContact C-N 3.31Å; V68-P70 VanDerWaalsContact O-N 3.15Å
71	Y	91.5	Very high	90.9	Very high	73 Å²	73	76.2 Å²	76.2	29%	0.286	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-96	-15.4	-178.5	-53.9	-70.8	0	0	0	113.1	L67 V68 L69 N315 I353 T356	L67-Y71 VanDerWaalsContact O-CE2 3.27Å; L67-Y71 WeakPolarHBondContact O-CE2 3.23Å; V68-Y71 WeakPolarHBondContact O-CB 3.33Å; V68-Y71 PolarHBondContact O-N 3.08Å; L69-Y71 PolarHBondContact O-N 2.82Å; L69-Y71 VanDerWaalsContact O-N 3.11Å; Y71-N315 PolarHBondContact O-ND2 2.76Å; Y71-I353 HydrophobicContact CD1-CB 4.39Å; Y71-I353 HydrophobicContact CD2-CB 3.98Å; Y71-I353 HydrophobicContact CD2-CG1 3.95Å; Y71-I353 HydrophobicContact CE2-CB 4.44Å; Y71-I353 HydrophobicContact CE2-CG1 4.47Å; Y71-I353 HydrophobicContact CG-CB 3.93Å; Y71-I353 HydrophobicContact CG-CG1 4.32Å; Y71-T356 HydrophobicContact CE2-CG2 3.8Å
72	Y	92.1	Very high	90.6	Very high	59 Å²	59	84 Å²	84	23%	0.231	42%	0.42	C	S	.	.			trans	-80.2	128.1	175.4	175.3	-106.7	0	0	0	110.6	W64 V68 L69 R164 N315	W64-Y72 HydrophobicContact CZ3-CD1 4.25Å; W64-Y72 HydrophobicContact CZ3-CE1 4.13Å; V68-Y72 PolarHBondContact O-N 3.17Å; L69-Y72 PolarHBondContact O-N 3.16Å; Y72-R164 HydrophobicContact CD2-CB 4.35Å; Y72-R164 HydrophobicContact CE2-CB 4.36Å; Y72-N315 WeakPolarHBondContact CA-OD1 3.44Å
73	K	92.6	Very high	89.8	Confident	126 Å²	126	84.5 Å²	84.5	55%	0.548	42%	0.418	S	S	.	.			trans	-137.3	124.1	175.3	-64.7	-172.8	-178.9	-178.7	0	109.1	L75 W313 N315 Q318	K73-L75 PolarHBondContact O-N 2.74Å; K73-W313 HydrophobicContact CB-CZ2 4.45Å; K73-W313 HydrophobicContact CD-CZ2 4.33Å; K73-N315 PolarHBondContact N-ND2 2.81Å; K73-N315 PolarHBondContact N-OD1 3.21Å; K73-N315 PolarHBondContact O-OD1 3.45Å; K73-Q318 PolarHBondContact O-NE2 2.92Å
74	K	92.9	Very high	89.3	Confident	127 Å²	127	84.5 Å²	84.5	55%	0.552	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-68.3	127.1	171.9	-169.4	76.5	-156.9	158.3	0	109	Q318	K74-Q318 VanDerWaalsContact NZ-OE1 3.12Å
75	L	92.9	Very high	88.9	Confident	35 Å²	35	81.8 Å²	81.8	18%	0.183	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-96.2	145.6	177.4	-55.8	-174.5	0	0	0	111.2	K73 W313 N315 L319	K73-L75 PolarHBondContact O-N 2.74Å; L75-W313 HydrophobicContact CD1-CE3 4.2Å; L75-W313 HydrophobicContact CD1-CH2 4.44Å; L75-W313 HydrophobicContact CD1-CZ3 3.71Å; L75-W313 HydrophobicContact CD2-CH2 3.47Å; L75-W313 VanDerWaalsContact CD2-CH2 3.47Å; L75-W313 HydrophobicContact CD2-CZ3 3.49Å; L75-W313 VanDerWaalsContact CD2-CZ3 3.49Å; L75-W313 HydrophobicContact CG-CZ3 4.22Å; L75-N315 HydrophobicContact CD1-CB 4.16Å; L75-N315 VanDerWaalsContact CD1-O 3.23Å; L75-N315 WeakPolarHBondContact CD1-O 3.41Å; L75-N315 HydrophobicContact CD2-CB 4.46Å; L75-N315 HydrophobicContact CG-CB 4.23Å; L75-L319 HydrophobicContact CB-CD2 3.87Å; L75-L319 HydrophobicContact CD1-CD1 4.47Å; L75-L319 HydrophobicContact CD1-CD2 4.28Å; L75-L319 HydrophobicContact CD1-CG 4.19Å
76	P	92.2	Very high	88.7	Confident	102 Å²	102	82.4 Å²	82.4	66%	0.662	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-64.6	153	166.7	29.9	-34.6	0	0	0	110	L319	P76-L319 WeakPolarHBondContact O-CD2 3.45Å
77	P	91.5	Very high	88.5	Confident	107 Å²	107	78.7 Å²	78.7	70%	0.695	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-54.6	148.1	179.3	-25.6	34.3	0	0	0	113.2	I79	P77-I79 PolarHBondContact O-N 2.75Å; P77-I79 VanDerWaalsContact O-N 3.08Å
78	L	92.5	Very high	88.6	Confident	30 Å²	30	74.6 Å²	74.6	16%	0.157	37%	0.369	C	S	.	.			trans	-72	105	174	177.7	61.9	0	0	0	109.6	L272 P278 L319	L78-L272 HydrophobicContact CD1-CB 4.32Å; L78-L272 HydrophobicContact CD2-CB 3.78Å; L78-L272 HydrophobicContact CD2-CD1 4.44Å; L78-P278 HydrophobicContact CD2-CB 3.86Å; L78-P278 HydrophobicContact CD2-CG 3.94Å; L78-P278 HydrophobicContact CG-CG 4.45Å; L78-L319 HydrophobicContact CB-CB 4.08Å; L78-L319 HydrophobicContact CB-CD1 4.34Å; L78-L319 HydrophobicContact CB-CD2 4.26Å; L78-L319 HydrophobicContact CB-CG 4.45Å
79	I	90.8	Very high	88.7	Confident	122 Å²	122	79.2 Å²	79.2	63%	0.626	39%	0.387	S	S	*	.			trans	-99.2	114.1	172.1	-56.2	171.6	0	0	0	108.2	P77 K270	P77-I79 PolarHBondContact O-N 2.75Å; P77-I79 VanDerWaalsContact O-N 3.08Å; I79-K270 WeakPolarHBondContact O-CD 3.22Å; I79-K270 PolarHBondContact O-NZ 3.29Å
80	C	91.5	Very high	88.8	Confident	18 Å²	18	76.4 Å²	76.4	12%	0.122	37%	0.373	C	S	.	.			trans	-80.6	135	168	-61.3	0	0	0	0	109.3	R82 C273 N276 N277 P278	C80-R82 PolarHBondContact O-N 2.88Å; C80-C273 WeakPolarHBondContact CA-SG 3.3Å; C80-C273 HydrophobicContact CB-CB 3.79Å; C80-C273 WeakPolarHBondContact CB-SG 3.47Å; C80-C273 WeakPolarHBondContact SG-CB 3.25Å; C80-C273 CovalentContact SG-SG 2.04Å; C80-C273 PolarHBondContact SG-SG 3.46Å; C80-N276 VanDerWaalsContact CB-O 3.3Å; C80-N276 WeakPolarHBondContact CB-O 3.18Å; C80-N277 VanDerWaalsContact SG-C 3.56Å; C80-P278 VanDerWaalsContact SG-CD 3.54Å; C80-P278 VanDerWaalsContact SG-N 3.41Å
81	K	83.1	Confident	88.6	Confident	159 Å²	159	73.9 Å²	73.9	69%	0.691	35%	0.354	S	S	*	.			trans	-67.5	135.8	179.4	-69.1	-176.9	177.7	-179.1	0	108.5	F83 N276	K81-F83 VanDerWaalsContact C-N 3.32Å; K81-F83 PolarHBondContact O-N 2.9Å; K81-N276 PolarHBondContact O-OD1 3.42Å
82	R	78.6	Confident	88.2	Confident	187 Å²	187	76.1 Å²	76.1	71%	0.706	37%	0.371	S	S	*	.			trans	-69.3	92.9	170.8	-163.4	176.4	-176.4	-169.7	-0.5	108.7	C80 N276	C80-R82 PolarHBondContact O-N 2.88Å; R82-N276 VanDerWaalsContact CA-OD1 3.23Å; R82-N276 WeakPolarHBondContact CA-OD1 3.49Å
83	F	73.6	Confident	87.9	Confident	90 Å²	90	76.3 Å²	76.3	40%	0.395	38%	0.381	S	S	.	.			trans	-85.4	-30.8	-174.9	-171.9	-93.9	0	0	0	112	K81 L265 R268 N276	K81-F83 VanDerWaalsContact C-N 3.32Å; K81-F83 PolarHBondContact O-N 2.9Å; F83-L265 HydrophobicContact CD1-CD1 3.93Å; F83-L265 HydrophobicContact CE1-CD1 4.39Å; F83-R268 HydrophobicContact CE2-CB 4.21Å; F83-R268 HydrophobicContact CZ-CB 4.26Å; F83-N276 PolarHBondContact N-OD1 2.9Å
84	Q	82.4	Confident	87.6	Confident	17 Å²	17	70.4 Å²	70.4	8%	0.079	36%	0.356	C	S	.	.	S	Bend	trans	-152	159.6	-177.7	61.8	-174.8	-6.7	0	0	111.1	Y133 T134 N276	Q84-Y133 HydrophobicContact CB-CD2 4.25Å; Q84-Y133 HydrophobicContact CG-CD2 4.14Å; Q84-Y133 HydrophobicContact CG-CE2 4.1Å; Q84-T134 PolarHBondContact NE2-O 2.04Å; Q84-T134 PolarHBondContact OE1-O 3.49Å; Q84-N276 PolarHBondContact O-ND2 3.28Å
85	P	84.7	Confident	87.5	Confident	56 Å²	56	69.3 Å²	69.3	36%	0.364	35%	0.349	S	S	.	.			trans	-66.6	148.3	168	27	-33.3	0	0	0	111.5	L87 Q102 Y133	P85-L87 VanDerWaalsContact C-N 3.3Å; P85-L87 HydrophobicContact CB-CD2 3.83Å; P85-L87 HydrophobicContact CB-CG 4.28Å; P85-L87 HydrophobicContact CG-CD1 4.42Å; P85-L87 HydrophobicContact CG-CD2 3.73Å; P85-L87 HydrophobicContact CG-CG 3.94Å; P85-L87 PolarHBondContact O-N 3.25Å; P85-Q102 HydrophobicContact CB-CB 4.21Å; P85-Y133 WeakPolarHBondContact O-CE2 3.3Å
86	E	86.7	Confident	87.4	Confident	56 Å²	56	69.2 Å²	69.2	26%	0.262	35%	0.348	S	S	.	.			trans	-82.8	70.7	176.3	-67.2	-59.9	153.2	0	0	110.9	T88 N99 N135 N276	E86-T88 VanDerWaalsContact C-N 3.27Å; E86-T88 PolarHBondContact O-N 2.63Å; E86-N99 WeakPolarHBondContact O-CB 3.08Å; E86-N99 PolarHBondContact O-ND2 3.35Å; E86-N135 PolarHBondContact OE2-ND2 2.94Å; E86-N276 WeakPolarHBondContact OE1-CB 3.05Å; E86-N276 PolarHBondContact OE1-ND2 3.47Å
87	L	88.8	Confident	87.3	Confident	19 Å²	19	65.4 Å²	65.4	10%	0.099	32%	0.322	C	S	.	.			trans	-66.9	-23.6	-173	-58	-178	0	0	0	114.4	P85 L98 N99 Q102 V103 F132 Y133	P85-L87 VanDerWaalsContact C-N 3.3Å; P85-L87 HydrophobicContact CB-CD2 3.83Å; P85-L87 HydrophobicContact CB-CG 4.28Å; P85-L87 HydrophobicContact CG-CD1 4.42Å; P85-L87 HydrophobicContact CG-CD2 3.73Å; P85-L87 HydrophobicContact CG-CG 3.94Å; P85-L87 PolarHBondContact O-N 3.25Å; L87-L98 CarbonylContact O-C 3.57Å; L87-L98 WeakPolarHBondContact O-CA 3.17Å; L87-N99 PolarHBondContact O-N 2.62Å; L87-Q102 HydrophobicContact CD2-CB 3.98Å; L87-V103 HydrophobicContact CD2-CG2 3.8Å; L87-F132 HydrophobicContact CD1-CE2 4.39Å; L87-Y133 HydrophobicContact CB-CD1 4.34Å; L87-Y133 HydrophobicContact CB-CD2 4.48Å; L87-Y133 HydrophobicContact CB-CE1 3.9Å; L87-Y133 HydrophobicContact CB-CE2 4.09Å; L87-Y133 HydrophobicContact CD1-CD1 4Å; L87-Y133 HydrophobicContact CD1-CD2 3.92Å; L87-Y133 HydrophobicContact CD1-CE1 4.4Å; L87-Y133 HydrophobicContact CD1-CE2 4.36Å; L87-Y133 HydrophobicContact CD1-CG 3.71Å; L87-Y133 HydrophobicContact CG-CD2 4.06Å; L87-Y133 HydrophobicContact CG-CE1 4.45Å; L87-Y133 HydrophobicContact CG-CE2 4.05Å; L87-Y133 HydrophobicContact CG-CG 4.29Å; L87-Y133 PolarHBondContact N-OH 2.86Å
88	T	91.1	Very high	87.2	Confident	8 Å²	8	64 Å²	64	5%	0.049	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	147	-177	54.5	0	0	0	0	110.8	E86 M97 L98 T121 Y133 H137	E86-T88 VanDerWaalsContact C-N 3.27Å; E86-T88 PolarHBondContact O-N 2.63Å; T88-M97 VanDerWaalsContact CA-O 3.28Å; T88-M97 WeakPolarHBondContact CA-O 3.16Å; T88-L98 HydrophobicContact CG2-CD2 3.91Å; T88-T121 HydrophobicContact CG2-CG2 4.1Å; T88-T121 PolarHBondContact OG1-OG1 3.09Å; T88-Y133 HydrophobicContact CG2-CE1 4.22Å; T88-Y133 PolarHBondContact N-OH 3.45Å; T88-Y133 PolarHBondContact OG1-OH 3.4Å; T88-H137 PolarHBondContact O-CE1 3.34Å; T88-H137 PolarHBondContact O-NE2 2.83Å; T88-H137 PolarHBondContact OG1-NE2 3.35Å
89	Y	91.1	Very high	86.9	Confident	99 Å²	99	64.3 Å²	64.3	39%	0.388	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	158.1	171.6	68.8	-82.7	0	0	0	110.3	D91 M97 N99	Y89-D91 HydrophobicContact CE2-CB 4.16Å; Y89-M97 HydrophobicContact CD1-CB 3.87Å; Y89-M97 HydrophobicContact CD2-CB 4.14Å; Y89-M97 HydrophobicContact CD2-CG 4.33Å; Y89-M97 HydrophobicContact CE1-CB 3.42Å; Y89-M97 VanDerWaalsContact CE1-CB 3.42Å; Y89-M97 HydrophobicContact CE1-CG 4.32Å; Y89-M97 HydrophobicContact CE2-CB 3.71Å; Y89-M97 HydrophobicContact CE2-CG 3.73Å; Y89-M97 HydrophobicContact CG-CB 4.22Å; Y89-M97 PolarHBondContact N-O 2.63Å; Y89-M97 PolarHBondContact O-N 3.11Å; Y89-N99 HydrophobicContact CD1-CB 4.07Å; Y89-N99 HydrophobicContact CE1-CB 4.31Å
90	V	91.1	Very high	86.5	Confident	24 Å²	24	61.4 Å²	61.4	15%	0.145	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	125.8	170.7	176.6	0	0	0	0	109.2	R95 L96 L114 H137 H139	V90-R95 WeakPolarHBondContact CA-O 3.32Å; V90-L96 HydrophobicContact CG2-CD1 4.06Å; V90-L114 HydrophobicContact CG1-CD1 4.25Å; V90-L114 HydrophobicContact CG2-CD1 3.65Å; V90-H137 HydrophobicContact CB-CB 4.48Å; V90-H137 HydrophobicContact CG2-CB 3.47Å; V90-H137 VanDerWaalsContact CG2-CB 3.47Å; V90-H139 HydrophobicContact CG1-CB 4.23Å
91	D	89.3	Confident	86.1	Confident	38 Å²	38	64.9 Å²	64.9	20%	0.203	33%	0.325	C	S	.	.			trans	-76.1	-176.5	179.7	82.1	-7	0	0	0	112.4	Y89 S93 G94 R95 M97	Y89-D91 HydrophobicContact CE2-CB 4.16Å; D91-S93 VanDerWaalsContact C-N 3.25Å; D91-S93 PolarHBondContact O-N 3.18Å; D91-S93 WeakPolarHBondContact OD1-CA 3.19Å; D91-S93 PolarHBondContact OD1-N 3.47Å; D91-S93 PolarHBondContact OD1-OG 2.8Å; D91-S93 PolarHBondContact OD2-OG 3.34Å; D91-G94 PolarHBondContact O-N 3.43Å; D91-G94 PolarHBondContact OD1-N 2.85Å; D91-R95 PolarHBondContact N-O 3.24Å; D91-R95 PolarHBondContact OD1-N 3.02Å; D91-M97 HydrophobicContact CB-CG 3.9Å
92	N	83.2	Confident	86	Confident	119 Å²	119	60.1 Å²	60.1	64%	0.636	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-20.3	180	-69.8	-25	0	0	0	114.3	R292	N92-R292 VanDerWaalsContact CA-NH2 3.33Å; N92-R292 VanDerWaalsContact CG-NH1 3.34Å; N92-R292 PolarHBondContact O-NH2 3.33Å; N92-R292 PolarHBondContact OD1-NH1 3.08Å
93	S	84.7	Confident	85.8	Confident	64 Å²	64	53.2 Å²	53.2	45%	0.448	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-9.7	178.9	77.1	0	0	0	0	113.3	D91 R95	D91-S93 VanDerWaalsContact C-N 3.25Å; D91-S93 PolarHBondContact O-N 3.18Å; D91-S93 WeakPolarHBondContact OD1-CA 3.19Å; D91-S93 PolarHBondContact OD1-N 3.47Å; D91-S93 PolarHBondContact OD1-OG 2.8Å; D91-S93 PolarHBondContact OD2-OG 3.34Å; S93-R95 WeakPolarHBondContact OG-CD 3.24Å; S93-R95 WeakPolarHBondContact OG-CG 3.32Å
94	G	87.2	Confident	85.6	Confident	2 Å²	2	57.4 Å²	57.4	2%	0.021	31%	0.31	C	S	.	.	S	Bend	trans	87	22.5	-175.4	0	0	0	0	0	112.6	D91 L114	D91-G94 PolarHBondContact O-N 3.43Å; D91-G94 PolarHBondContact OD1-N 2.85Å; G94-L114 WeakPolarHBondContact O-CB 3.33Å; G94-L114 WeakPolarHBondContact O-CG 3.5Å; G94-L114 PolarHBondContact O-N 2.85Å; G94-L114 VanDerWaalsContact O-N 3.11Å
95	R	90.8	Very high	85	Confident	103 Å²	103	63.5 Å²	63.5	39%	0.389	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	135.9	173	-67.3	176	-173.3	-149.2	1.9	110.5	V90 D91 S93 M97 E112	V90-R95 WeakPolarHBondContact CA-O 3.32Å; D91-R95 PolarHBondContact N-O 3.24Å; D91-R95 PolarHBondContact OD1-N 3.02Å; S93-R95 WeakPolarHBondContact OG-CD 3.24Å; S93-R95 WeakPolarHBondContact OG-CG 3.32Å; R95-M97 HydrophobicContact CB-SD 3.98Å; R95-E112 CarbonylContact C-O 3.47Å; R95-E112 WeakPolarHBondContact CA-O 3.37Å
96	L	91.6	Very high	84.2	Confident	33 Å²	33	66 Å²	66	17%	0.173	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	120.6	168.1	-178.3	68.7	0	0	0	109.3	V90 G111 E112 L114 V119 T121	V90-L96 HydrophobicContact CG2-CD1 4.06Å; L96-G111 CarbonylContact O-C 3.57Å; L96-G111 WeakPolarHBondContact O-CA 3.3Å; L96-E112 PolarHBondContact N-O 3.34Å; L96-E112 PolarHBondContact O-N 3.24Å; L96-L114 HydrophobicContact CB-CD1 4.5Å; L96-L114 HydrophobicContact CB-CD2 3.71Å; L96-L114 HydrophobicContact CB-CG 4.19Å; L96-V119 HydrophobicContact CD2-CG1 4.44Å; L96-T121 HydrophobicContact CD1-CG2 3.73Å; L96-T121 HydrophobicContact CD2-CG2 3.56Å; L96-T121 HydrophobicContact CG-CG2 4.25Å
97	M	90.3	Very high	83.4	Confident	23 Å²	23	65.1 Å²	65.1	11%	0.113	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	150.4	-175.4	-55.1	-64.2	-63.2	0	0	110.2	T88 Y89 D91 R95 E109 G111	T88-M97 VanDerWaalsContact CA-O 3.28Å; T88-M97 WeakPolarHBondContact CA-O 3.16Å; Y89-M97 HydrophobicContact CD1-CB 3.87Å; Y89-M97 HydrophobicContact CD2-CB 4.14Å; Y89-M97 HydrophobicContact CD2-CG 4.33Å; Y89-M97 HydrophobicContact CE1-CB 3.42Å; Y89-M97 VanDerWaalsContact CE1-CB 3.42Å; Y89-M97 HydrophobicContact CE1-CG 4.32Å; Y89-M97 HydrophobicContact CE2-CB 3.71Å; Y89-M97 HydrophobicContact CE2-CG 3.73Å; Y89-M97 HydrophobicContact CG-CB 4.22Å; Y89-M97 PolarHBondContact N-O 2.63Å; Y89-M97 PolarHBondContact O-N 3.11Å; D91-M97 HydrophobicContact CB-CG 3.9Å; R95-M97 HydrophobicContact CB-SD 3.98Å; M97-E109 WeakPolarHBondContact CE-O 3.39Å; M97-G111 VanDerWaalsContact SD-CA 3.54Å
98	L	89.2	Confident	82.4	Confident	78 Å²	78	68.3 Å²	68.3	41%	0.408	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	137.8	165.4	-66.4	167.8	0	0	0	110	L87 T88 S100 L107	L87-L98 CarbonylContact O-C 3.57Å; L87-L98 WeakPolarHBondContact O-CA 3.17Å; T88-L98 HydrophobicContact CG2-CD2 3.91Å; L98-S100 PolarHBondContact O-N 2.85Å; L98-L107 HydrophobicContact CB-CB 4.42Å; L98-L107 HydrophobicContact CB-CD1 3.57Å; L98-L107 HydrophobicContact CD1-CB 4.49Å; L98-L107 HydrophobicContact CD1-CD1 4.07Å; L98-L107 HydrophobicContact CD1-CD2 4.3Å; L98-L107 HydrophobicContact CG-CD1 4.35Å
99	N	86.2	Confident	81.4	Confident	36 Å²	36	76.4 Å²	76.4	19%	0.193	42%	0.42	C	S	.	.			trans	-87.2	92.3	179.8	-169.7	-10.5	0	0	0	110.6	E86 L87 Y89 S101 Q102	E86-N99 WeakPolarHBondContact O-CB 3.08Å; E86-N99 PolarHBondContact O-ND2 3.35Å; L87-N99 PolarHBondContact O-N 2.62Å; Y89-N99 HydrophobicContact CD1-CB 4.07Å; Y89-N99 HydrophobicContact CE1-CB 4.31Å; N99-S101 PolarHBondContact O-N 3.43Å; N99-S101 VanDerWaalsContact O-N 3.08Å; N99-S101 WeakPolarHBondContact OD1-CB 3.22Å; N99-S101 PolarHBondContact OD1-N 3.1Å; N99-S101 PolarHBondContact OD1-OG 3.37Å; N99-Q102 HydrophobicContact CB-CB 4.43Å; N99-Q102 HydrophobicContact CB-CG 4.16Å; N99-Q102 WeakPolarHBondContact ND2-CG 3.49Å; N99-Q102 PolarHBondContact O-N 3.36Å
100	S	81.2	Confident	80.7	Confident	60 Å²	60	77.2 Å²	77.2	42%	0.42	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-57.5	-23.7	178.6	-47.5	0	0	0	0	113.2	L98 Q102 V103	L98-S100 PolarHBondContact O-N 2.85Å; S100-Q102 PolarHBondContact O-N 2.93Å; S100-V103 PolarHBondContact O-N 3.33Å
101	S	82.5	Confident	80.3	Confident	91 Å²	91	77 Å²	77	64%	0.636	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-70.4	-14.1	175.5	77.4	0	0	0	0	114.1	N99	N99-S101 PolarHBondContact O-N 3.43Å; N99-S101 VanDerWaalsContact O-N 3.08Å; N99-S101 WeakPolarHBondContact OD1-CB 3.22Å; N99-S101 PolarHBondContact OD1-N 3.1Å; N99-S101 PolarHBondContact OD1-OG 3.37Å
102	Q	80.8	Confident	80.2	Confident	59 Å²	59	81.9 Å²	81.9	28%	0.276	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-106.3	-1.6	-179.6	-59	-60.2	-69.3	0	0	112.6	P85 L87 N99 S100	P85-Q102 HydrophobicContact CB-CB 4.21Å; L87-Q102 HydrophobicContact CD2-CB 3.98Å; N99-Q102 HydrophobicContact CB-CB 4.43Å; N99-Q102 HydrophobicContact CB-CG 4.16Å; N99-Q102 WeakPolarHBondContact ND2-CG 3.49Å; N99-Q102 PolarHBondContact O-N 3.36Å; S100-Q102 PolarHBondContact O-N 2.93Å
103	V	75.5	Confident	80.5	Confident	42 Å²	42	81.5 Å²	81.5	26%	0.255	46%	0.455	S	S	.	.	S	Bend	trans	-125.4	131.2	-178.5	-173.4	0	0	0	0	108.2	L87 S100 E105 L107	L87-V103 HydrophobicContact CD2-CG2 3.8Å; S100-V103 PolarHBondContact O-N 3.33Å; V103-E105 HydrophobicContact CG1-CB 4.04Å; V103-E105 PolarHBondContact O-N 3.13Å; V103-L107 HydrophobicContact CB-CD1 3.83Å; V103-L107 HydrophobicContact CB-CG 4.45Å; V103-L107 HydrophobicContact CG1-CD1 4.17Å; V103-L107 HydrophobicContact CG1-CD2 4.42Å; V103-L107 HydrophobicContact CG1-CG 4.42Å; V103-L107 HydrophobicContact CG2-CD1 3.76Å
104	N	69.7	Low	80.7	Confident	178 Å²	178	79.2 Å²	79.2	95%	0.952	44%	0.438	S	S	*	.	S	Bend	trans	-77	28.3	179.3	-69.5	-19.3	0	0	0	112.9
105	E	69.3	Low	80.7	Confident	145 Å²	145	86.3 Å²	86.3	68%	0.678	47%	0.471	S	S	*	.	S	Bend	trans	-138.4	147.5	-175.5	-66.3	179.6	-173.8	0	0	110.2	V103 L107	V103-E105 HydrophobicContact CG1-CB 4.04Å; V103-E105 PolarHBondContact O-N 3.13Å; E105-L107 PolarHBondContact O-N 2.93Å; E105-L107 VanDerWaalsContact O-N 3.14Å
106	A	67.7	Low	80.6	Confident	108 Å²	108	85.1 Å²	85.1	89%	0.893	48%	0.477	S	S	*	.			trans	-70	107.1	173.7	0	0	0	0	0	109.4
107	L	69.9	Low	80.5	Confident	38 Å²	38	84.6 Å²	84.6	20%	0.199	47%	0.474	C	S	.	.			trans	-91.9	153.1	177.2	-62.2	176.1	0	0	0	111	L98 V103 E105 E109	L98-L107 HydrophobicContact CB-CB 4.42Å; L98-L107 HydrophobicContact CB-CD1 3.57Å; L98-L107 HydrophobicContact CD1-CB 4.49Å; L98-L107 HydrophobicContact CD1-CD1 4.07Å; L98-L107 HydrophobicContact CD1-CD2 4.3Å; L98-L107 HydrophobicContact CG-CD1 4.35Å; V103-L107 HydrophobicContact CB-CD1 3.83Å; V103-L107 HydrophobicContact CB-CG 4.45Å; V103-L107 HydrophobicContact CG1-CD1 4.17Å; V103-L107 HydrophobicContact CG1-CD2 4.42Å; V103-L107 HydrophobicContact CG1-CG 4.42Å; V103-L107 HydrophobicContact CG2-CD1 3.76Å; E105-L107 PolarHBondContact O-N 2.93Å; E105-L107 VanDerWaalsContact O-N 3.14Å; L107-E109 PolarHBondContact O-N 3.39Å
108	P	68.3	Low	80.7	Confident	87 Å²	87	86.1 Å²	86.1	57%	0.565	48%	0.48	S	S	*	.			trans	-56.3	132.5	174.1	-20.4	30.7	0	0	0	111.3	T110	P108-T110 PolarHBondContact O-N 3.42Å
109	E	69.5	Low	80.9	Confident	178 Å²	178	83.7 Å²	83.7	83%	0.832	47%	0.468	S	S	*	.	S	Bend	trans	-70.7	-10.5	173.8	-66.6	-172	167.3	0	0	112.8	M97 L107	M97-E109 WeakPolarHBondContact CE-O 3.39Å; L107-E109 PolarHBondContact O-N 3.39Å
110	T	77.3	Confident	81.2	Confident	115 Å²	115	85.8 Å²	85.8	71%	0.706	48%	0.477	S	S	*	.			trans	-91.5	104.9	-177.9	55.4	0	0	0	0	110.8	P108	P108-T110 PolarHBondContact O-N 3.42Å
111	G	82.9	Confident	81.8	Confident	20 Å²	20	83.5 Å²	83.5	21%	0.206	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-80.5	168.9	168.4	0	0	0	0	0	114.2	L96 M97	L96-G111 CarbonylContact O-C 3.57Å; L96-G111 WeakPolarHBondContact O-CA 3.3Å; M97-G111 VanDerWaalsContact SD-CA 3.54Å
112	E	86.4	Confident	82.2	Confident	141 Å²	141	81.8 Å²	81.8	66%	0.659	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	133.1	-179.7	-173	179.2	170.2	0	0	111.5	R95 L96 L114	R95-E112 CarbonylContact C-O 3.47Å; R95-E112 WeakPolarHBondContact CA-O 3.37Å; L96-E112 PolarHBondContact N-O 3.34Å; L96-E112 PolarHBondContact O-N 3.24Å; E112-L114 PolarHBondContact O-N 2.89Å
113	M	88.7	Confident	82.5	Confident	110 Å²	110	80.5 Å²	80.5	54%	0.542	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	118.2	175.6	-173.2	-176.3	-58.4	0	0	110.5	Q115	M113-Q115 PolarHBondContact O-N 2.97Å; M113-Q115 PolarHBondContact O-NE2 3.15Å
114	L	89	Confident	82.9	Confident	17 Å²	17	83.8 Å²	83.8	9%	0.089	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-69.4	128	-179.1	-62.8	-177.4	0	0	0	111.6	V90 G94 L96 E112 V119	V90-L114 HydrophobicContact CG1-CD1 4.25Å; V90-L114 HydrophobicContact CG2-CD1 3.65Å; G94-L114 WeakPolarHBondContact O-CB 3.33Å; G94-L114 WeakPolarHBondContact O-CG 3.5Å; G94-L114 PolarHBondContact O-N 2.85Å; G94-L114 VanDerWaalsContact O-N 3.11Å; L96-L114 HydrophobicContact CB-CD1 4.5Å; L96-L114 HydrophobicContact CB-CD2 3.71Å; L96-L114 HydrophobicContact CB-CG 4.19Å; E112-L114 PolarHBondContact O-N 2.89Å; L114-V119 HydrophobicContact CB-CG2 4.48Å; L114-V119 HydrophobicContact CD1-CB 4.3Å; L114-V119 HydrophobicContact CD1-CG2 3.69Å; L114-V119 HydrophobicContact CD2-CB 4.44Å; L114-V119 HydrophobicContact CD2-CG1 4.34Å; L114-V119 HydrophobicContact CD2-CG2 3.63Å; L114-V119 HydrophobicContact CG-CG2 4.11Å
115	Q	87.3	Confident	83.5	Confident	150 Å²	150	83.8 Å²	83.8	70%	0.701	45%	0.453	S	S	*	.	S	Bend	trans	-90.2	-8.7	174.3	-56.9	-57.1	-41.8	0	0	112.8	M113 I141	M113-Q115 PolarHBondContact O-N 2.97Å; M113-Q115 PolarHBondContact O-NE2 3.15Å; Q115-I141 VanDerWaalsContact C-CD1 3.49Å; Q115-I141 WeakPolarHBondContact O-CD1 3.26Å
116	C	90	Very high	84	Confident	78 Å²	78	80.1 Å²	80.1	53%	0.527	45%	0.454	S	S	.	.	S	Bend	trans	-127.2	144.1	-178	-65.1	0	0	0	0	110.3	F118 H139	C116-F118 PolarHBondContact O-N 3.27Å; C116-H139 PolarHBondContact O-CD2 2.99Å; C116-H139 VanDerWaalsContact O-CD2 3.27Å; C116-H139 PolarHBondContact O-NE2 2.9Å; C116-H139 VanDerWaalsContact O-NE2 3.1Å
117	E	89.5	Confident	84.6	Confident	22 Å²	22	83.5 Å²	83.5	10%	0.103	46%	0.455	C	S	.	.	S	Bend	trans	-64.1	-24.8	178.3	-62.1	-151	132.2	0	0	113.7	N138 H139 I140 I141 H251 Y286	E117-N138 CarbonylContact O-C 3.46Å; E117-N138 VanDerWaalsContact O-CA 3.22Å; E117-N138 WeakPolarHBondContact O-CA 3.27Å; E117-H139 WeakPolarHBondContact CA-O 3.46Å; E117-H139 VanDerWaalsContact CB-O 3.3Å; E117-H139 WeakPolarHBondContact CB-O 3.16Å; E117-H139 PolarHBondContact O-N 3.39Å; E117-I140 WeakPolarHBondContact OE1-CA 3.31Å; E117-I141 HydrophobicContact CG-CB 4.27Å; E117-I141 HydrophobicContact CG-CD1 4Å; E117-I141 HydrophobicContact CG-CG1 3.99Å; E117-I141 PolarHBondContact OE1-N 3.04Å; E117-H251 VanDerWaalsContact CD-ND1 3.26Å; E117-H251 IonicContact OE1-CE1 3.1Å; E117-H251 PolarHBondContact OE1-CE1 3.17Å; E117-H251 IonicContact OE1-ND1 2.76Å; E117-H251 PolarHBondContact OE1-ND1 3.47Å; E117-H251 IonicContact OE2-CE1 2.72Å; E117-H251 IonicContact OE2-ND1 2.65Å; E117-H251 PolarHBondContact OE2-ND1 3.02Å; E117-H251 VanDerWaalsContact OE2-ND1 3.08Å; E117-Y286 PolarHBondContact OE2-OH 2.94Å
118	F	94	Very high	85.1	Confident	56 Å²	56	87.7 Å²	87.7	25%	0.246	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	127.4	-173.3	-56.9	-41	0	0	0	109.6	C116 N138 Y252 F256 Y286	C116-F118 PolarHBondContact O-N 3.27Å; F118-N138 HydrophobicContact CD1-CB 3.89Å; F118-N138 HydrophobicContact CE1-CB 4.2Å; F118-Y252 WeakPolarHBondContact CE2-O 3.17Å; F118-Y252 VanDerWaalsContact CZ-O 3.3Å; F118-Y252 WeakPolarHBondContact CZ-O 3.1Å; F118-F256 HydrophobicContact CB-CD2 3.86Å; F118-F256 HydrophobicContact CD1-CB 3.62Å; F118-F256 AromaticContact CD1-CD2 3.7Å; F118-F256 HydrophobicContact CD1-CD2 3.7Å; F118-F256 AromaticContact CD1-CG 3.77Å; F118-F256 HydrophobicContact CD1-CG 3.77Å; F118-F256 HydrophobicContact CD2-CB 4Å; F118-F256 HydrophobicContact CE1-CB 3.73Å; F118-F256 HydrophobicContact CE1-CG 4.15Å; F118-F256 HydrophobicContact CE2-CB 4.1Å; F118-F256 HydrophobicContact CG-CB 3.77Å; F118-F256 AromaticContact CG-CD2 3.9Å; F118-F256 HydrophobicContact CG-CD2 3.9Å; F118-F256 HydrophobicContact CG-CG 4.17Å; F118-F256 HydrophobicContact CZ-CB 3.98Å; F118-Y286 HydrophobicContact CD1-CE2 4.46Å; F118-Y286 HydrophobicContact CE1-CD2 4.05Å; F118-Y286 AromaticContact CE1-CE2 3.45Å; F118-Y286 HydrophobicContact CE1-CE2 3.45Å; F118-Y286 VanDerWaalsContact CE1-CE2 3.45Å; F118-Y286 AromaticContact CE1-CZ 3.73Å; F118-Y286 HydrophobicContact CZ-CE1 4.49Å; F118-Y286 AromaticContact CZ-CE2 3.97Å; F118-Y286 HydrophobicContact CZ-CE2 3.97Å; F118-Y286 AromaticContact CZ-CZ 3.75Å; F118-Y286 WeakPolarHBondContact CZ-OH 3.5Å
119	V	93.3	Very high	85.5	Confident	26 Å²	26	88.8 Å²	88.8	16%	0.158	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	132.4	-178.3	177.2	0	0	0	0	109.6	L96 L114 T121 H137	L96-V119 HydrophobicContact CD2-CG1 4.44Å; L114-V119 HydrophobicContact CB-CG2 4.48Å; L114-V119 HydrophobicContact CD1-CB 4.3Å; L114-V119 HydrophobicContact CD1-CG2 3.69Å; L114-V119 HydrophobicContact CD2-CB 4.44Å; L114-V119 HydrophobicContact CD2-CG1 4.34Å; L114-V119 HydrophobicContact CD2-CG2 3.63Å; L114-V119 HydrophobicContact CG-CG2 4.11Å; V119-T121 HydrophobicContact CG1-CG2 4.17Å; V119-H137 PolarHBondContact N-O 2.83Å; V119-H137 PolarHBondContact O-N 3.37Å
120	E	92.7	Very high	86	Confident	80 Å²	80	85.1 Å²	85.1	37%	0.374	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	129.5	165.2	178.4	178.2	-178.2	0	0	107.9	N135 F136 R259	E120-N135 CarbonylContact C-O 3.49Å; E120-N135 WeakPolarHBondContact CA-O 3.42Å; E120-F136 HydrophobicContact CB-CD1 3.99Å; E120-F136 HydrophobicContact CB-CE1 3.88Å; E120-F136 HydrophobicContact CG-CD1 4.04Å; E120-F136 HydrophobicContact CG-CE1 3.6Å; E120-F136 HydrophobicContact CG-CZ 4.16Å; E120-R259 IonicContact OE1-CZ 3.58Å; E120-R259 IonicContact OE1-NH2 2.7Å; E120-R259 PolarHBondContact OE1-NH2 2.62Å; E120-R259 IonicContact OE2-CZ 3.03Å; E120-R259 IonicContact OE2-NE 2.78Å; E120-R259 PolarHBondContact OE2-NE 3.2Å; E120-R259 IonicContact OE2-NH2 2.71Å; E120-R259 PolarHBondContact OE2-NH2 3.19Å
121	T	92.8	Very high	86.3	Confident	13 Å²	13	81.7 Å²	81.7	8%	0.08	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	144.7	172.9	56.4	0	0	0	0	109.8	T88 L96 V119 T134 N135	T88-T121 HydrophobicContact CG2-CG2 4.1Å; T88-T121 PolarHBondContact OG1-OG1 3.09Å; L96-T121 HydrophobicContact CD1-CG2 3.73Å; L96-T121 HydrophobicContact CD2-CG2 3.56Å; L96-T121 HydrophobicContact CG-CG2 4.25Å; V119-T121 HydrophobicContact CG1-CG2 4.17Å; T121-T134 CarbonylContact O-C 3.5Å; T121-T134 WeakPolarHBondContact O-CA 3.25Å; T121-N135 PolarHBondContact N-O 3.32Å; T121-N135 PolarHBondContact O-N 3.22Å; T121-N135 PolarHBondContact OG1-O 3.28Å
122	A	90.8	Very high	86.3	Confident	54 Å²	54	87 Å²	87	45%	0.446	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	141.8	173.7	0	0	0	0	0	110.4	Y133 T134	A122-Y133 CarbonylContact C-O 3.48Å; A122-Y133 WeakPolarHBondContact CA-O 3.46Å; A122-T134 HydrophobicContact CB-CG2 4.15Å
123	C	87.1	Confident	86.4	Confident	33 Å²	33	80.5 Å²	80.5	22%	0.223	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	130.9	169.9	-53.2	0	0	0	0	109.3	S131 F132 Y133	C123-S131 CarbonylContact O-C 3.56Å; C123-S131 VanDerWaalsContact O-CA 3.24Å; C123-S131 WeakPolarHBondContact O-CA 3.47Å; C123-F132 HydrophobicContact CB-CD1 4.43Å; C123-F132 HydrophobicContact CB-CE1 3.7Å; C123-F132 HydrophobicContact CB-CE2 3.99Å; C123-F132 HydrophobicContact CB-CZ 3.45Å; C123-F132 VanDerWaalsContact CB-CZ 3.45Å; C123-F132 WeakPolarHBondContact O-CD1 3.5Å; C123-F132 PolarHBondContact O-N 3.14Å; C123-Y133 HydrophobicContact CB-CD1 4.26Å; C123-Y133 PolarHBondContact N-O 3.24Å; C123-Y133 PolarHBondContact O-N 2.88Å; C123-Y133 WeakPolarHBondContact SG-CD1 3.36Å
124	Q	85.4	Confident	86.5	Confident	110 Å²	110	76.7 Å²	76.7	51%	0.514	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	150.6	179.1	-66.2	178.3	-11	0	0	109.6	S131	Q124-S131 WeakPolarHBondContact CG-OG 3.39Å; Q124-S131 PolarHBondContact NE2-OG 2.93Å
125	K	80.7	Confident	86.7	Confident	179 Å²	179	76 Å²	76	78%	0.778	42%	0.422	S	S	*	.			trans	-124.1	121.8	175.7	-175	178.9	-179	178.3	0	109.3	F132	K125-F132 HydrophobicContact CB-CD1 3.88Å; K125-F132 HydrophobicContact CB-CE1 3.94Å
126	G	80.9	Confident	87	Confident	68 Å²	68	69 Å²	69	70%	0.701	39%	0.389	S	S	*	.	S	Bend	trans	79.4	-161.9	179.6	0	0	0	0	0	113.3
127	I	80.4	Confident	87.1	Confident	178 Å²	178	66.4 Å²	66.4	91%	0.913	37%	0.369	S	S	*	.	S	Bend	trans	-84.1	-21.5	-170.2	-63.3	168.8	0	0	0	112.6
128	L	80.8	Confident	87.3	Confident	126 Å²	126	65.8 Å²	65.8	66%	0.66	37%	0.366	S	S	*	.	S	Bend	trans	-73.2	136.2	179.3	-66	174.2	0	0	0	110	V130	L128-V130 HydrophobicContact CB-CG2 4.18Å; L128-V130 PolarHBondContact O-N 3.5Å
129	P	76.7	Confident	87.2	Confident	111 Å²	111	63.6 Å²	63.6	72%	0.721	36%	0.357	S	S	*	.			trans	-76.4	46.2	178.6	34.4	-37.4	0	0	0	111.6
130	V	80.3	Confident	86.9	Confident	100 Å²	100	62.5 Å²	62.5	61%	0.606	35%	0.35	S	S	*	.			trans	-106.3	111.4	179.1	-178.3	0	0	0	0	107.8	L128	L128-V130 HydrophobicContact CB-CG2 4.18Å; L128-V130 PolarHBondContact O-N 3.5Å
131	S	82.7	Confident	86.4	Confident	44 Å²	44	61.8 Å²	61.8	31%	0.308	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	124.6	175.7	-54.8	0	0	0	0	110	C123 Q124	C123-S131 CarbonylContact O-C 3.56Å; C123-S131 VanDerWaalsContact O-CA 3.24Å; C123-S131 WeakPolarHBondContact O-CA 3.47Å; Q124-S131 WeakPolarHBondContact CG-OG 3.39Å; Q124-S131 PolarHBondContact NE2-OG 2.93Å
132	F	83.7	Confident	85.2	Confident	132 Å²	132	68.8 Å²	68.8	58%	0.579	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.5	-12.9	173.8	68.9	-95.7	0	0	0	112.5	L87 C123 K125	L87-F132 HydrophobicContact CD1-CE2 4.39Å; C123-F132 HydrophobicContact CB-CD1 4.43Å; C123-F132 HydrophobicContact CB-CE1 3.7Å; C123-F132 HydrophobicContact CB-CE2 3.99Å; C123-F132 HydrophobicContact CB-CZ 3.45Å; C123-F132 VanDerWaalsContact CB-CZ 3.45Å; C123-F132 WeakPolarHBondContact O-CD1 3.5Å; C123-F132 PolarHBondContact O-N 3.14Å; K125-F132 HydrophobicContact CB-CD1 3.88Å; K125-F132 HydrophobicContact CB-CE1 3.94Å
133	Y	87.4	Confident	83.6	Confident	4 Å²	4	69.2 Å²	69.2	2%	0.016	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	140.7	175.5	168.9	-98.4	0	0	0	108.8	Q84 P85 L87 T88 A122 C123 N135	Q84-Y133 HydrophobicContact CB-CD2 4.25Å; Q84-Y133 HydrophobicContact CG-CD2 4.14Å; Q84-Y133 HydrophobicContact CG-CE2 4.1Å; P85-Y133 WeakPolarHBondContact O-CE2 3.3Å; L87-Y133 HydrophobicContact CB-CD1 4.34Å; L87-Y133 HydrophobicContact CB-CD2 4.48Å; L87-Y133 HydrophobicContact CB-CE1 3.9Å; L87-Y133 HydrophobicContact CB-CE2 4.09Å; L87-Y133 HydrophobicContact CD1-CD1 4Å; L87-Y133 HydrophobicContact CD1-CD2 3.92Å; L87-Y133 HydrophobicContact CD1-CE1 4.4Å; L87-Y133 HydrophobicContact CD1-CE2 4.36Å; L87-Y133 HydrophobicContact CD1-CG 3.71Å; L87-Y133 HydrophobicContact CG-CD2 4.06Å; L87-Y133 HydrophobicContact CG-CE1 4.45Å; L87-Y133 HydrophobicContact CG-CE2 4.05Å; L87-Y133 HydrophobicContact CG-CG 4.29Å; L87-Y133 PolarHBondContact N-OH 2.86Å; T88-Y133 HydrophobicContact CG2-CE1 4.22Å; T88-Y133 PolarHBondContact N-OH 3.45Å; T88-Y133 PolarHBondContact OG1-OH 3.4Å; A122-Y133 CarbonylContact C-O 3.48Å; A122-Y133 WeakPolarHBondContact CA-O 3.46Å; C123-Y133 HydrophobicContact CB-CD1 4.26Å; C123-Y133 PolarHBondContact N-O 3.24Å; C123-Y133 PolarHBondContact O-N 2.88Å; C123-Y133 WeakPolarHBondContact SG-CD1 3.36Å; Y133-N135 HydrophobicContact CE1-CB 4.02Å; Y133-N135 HydrophobicContact CE2-CB 4.23Å; Y133-N135 VanDerWaalsContact OH-CB 3.24Å; Y133-N135 WeakPolarHBondContact OH-CB 3.4Å; Y133-N135 PolarHBondContact OH-ND2 2.9Å; Y133-N135 VanDerWaalsContact OH-ND2 3.11Å
134	T	91.3	Very high	81.4	Confident	30 Å²	30	72.4 Å²	72.4	18%	0.184	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	138.1	170.7	56.3	0	0	0	0	109.8	Q84 T121 A122 L265	Q84-T134 PolarHBondContact NE2-O 2.04Å; Q84-T134 PolarHBondContact OE1-O 3.49Å; T121-T134 CarbonylContact O-C 3.5Å; T121-T134 WeakPolarHBondContact O-CA 3.25Å; A122-T134 HydrophobicContact CB-CG2 4.15Å; T134-L265 WeakPolarHBondContact O-CD2 3.41Å
135	N	92.2	Very high	79.4	Confident	3 Å²	3	70.4 Å²	70.4	2%	0.016	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	163.3	173.8	-154.3	2.1	0	0	0	111.8	E86 E120 T121 Y133	E86-N135 PolarHBondContact OE2-ND2 2.94Å; E120-N135 CarbonylContact C-O 3.49Å; E120-N135 WeakPolarHBondContact CA-O 3.42Å; T121-N135 PolarHBondContact N-O 3.32Å; T121-N135 PolarHBondContact O-N 3.22Å; T121-N135 PolarHBondContact OG1-O 3.28Å; Y133-N135 HydrophobicContact CE1-CB 4.02Å; Y133-N135 HydrophobicContact CE2-CB 4.23Å; Y133-N135 VanDerWaalsContact OH-CB 3.24Å; Y133-N135 WeakPolarHBondContact OH-CB 3.4Å; Y133-N135 PolarHBondContact OH-ND2 2.9Å; Y133-N135 VanDerWaalsContact OH-ND2 3.11Å
136	F	93.8	Very high	77.5	Confident	2 Å²	2	65.8 Å²	65.8	1%	0.009	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	130.7	-176.8	-62.8	-81.6	0	0	0	110.2	E120 F256 R259 M260 S263 L265 V274 Y282	E120-F136 HydrophobicContact CB-CD1 3.99Å; E120-F136 HydrophobicContact CB-CE1 3.88Å; E120-F136 HydrophobicContact CG-CD1 4.04Å; E120-F136 HydrophobicContact CG-CE1 3.6Å; E120-F136 HydrophobicContact CG-CZ 4.16Å; F136-F256 HydrophobicContact CB-CE2 3.82Å; F136-F256 HydrophobicContact CB-CZ 3.72Å; F136-R259 HydrophobicContact CE1-CG 3.85Å; F136-M260 HydrophobicContact CB-CG 3.93Å; F136-M260 HydrophobicContact CB-SD 4.01Å; F136-M260 HydrophobicContact CD1-CG 3.98Å; F136-M260 HydrophobicContact CD2-CG 3.95Å; F136-M260 HydrophobicContact CG-CG 3.67Å; F136-M260 HydrophobicContact CG-SD 4.35Å; F136-S263 VanDerWaalsContact CZ-CB 3.44Å; F136-L265 HydrophobicContact CD2-CD2 4.24Å; F136-L265 HydrophobicContact CE2-CB 4.42Å; F136-L265 HydrophobicContact CE2-CD2 4.22Å; F136-V274 HydrophobicContact CD2-CG1 4.31Å; F136-Y282 WeakPolarHBondContact O-CE1 3.21Å
137	H	93.7	Very high	76.3	Confident	23 Å²	23	64.8 Å²	64.8	11%	0.106	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	149.1	178.5	-57.9	-70.2	0	0	0	110.5	T88 V90 V119 F256	T88-H137 PolarHBondContact O-CE1 3.34Å; T88-H137 PolarHBondContact O-NE2 2.83Å; T88-H137 PolarHBondContact OG1-NE2 3.35Å; V90-H137 HydrophobicContact CB-CB 4.48Å; V90-H137 HydrophobicContact CG2-CB 3.47Å; V90-H137 VanDerWaalsContact CG2-CB 3.47Å; V119-H137 PolarHBondContact N-O 2.83Å; V119-H137 PolarHBondContact O-N 3.37Å; H137-F256 WeakPolarHBondContact O-CE2 3.3Å
138	N	93	Very high	76.1	Confident	9 Å²	9	56.8 Å²	56.8	5%	0.048	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	150.7	172.7	64.5	57.8	0	0	0	111.2	E117 F118 F256 Y282 Y286	E117-N138 CarbonylContact O-C 3.46Å; E117-N138 VanDerWaalsContact O-CA 3.22Å; E117-N138 WeakPolarHBondContact O-CA 3.27Å; F118-N138 HydrophobicContact CD1-CB 3.89Å; F118-N138 HydrophobicContact CE1-CB 4.2Å; N138-F256 HydrophobicContact CB-CE1 4.34Å; N138-F256 HydrophobicContact CB-CE2 4.28Å; N138-F256 HydrophobicContact CB-CZ 4.14Å; N138-F256 WeakPolarHBondContact ND2-CE1 3.49Å; N138-Y282 PolarHBondContact ND2-O 2.96Å; N138-Y286 HydrophobicContact CB-CD2 3.96Å; N138-Y286 WeakPolarHBondContact OD1-CA 3.28Å; N138-Y286 PolarHBondContact OD1-N 2.94Å
139	H	91.2	Very high	76.7	Confident	11 Å²	11	51 Å²	51	5%	0.051	29%	0.292	C	S	.	.			trans	-150.4	179.9	169.1	89.3	114.1	0	0	0	109.4	V90 C116 E117 I141	V90-H139 HydrophobicContact CG1-CB 4.23Å; C116-H139 PolarHBondContact O-CD2 2.99Å; C116-H139 VanDerWaalsContact O-CD2 3.27Å; C116-H139 PolarHBondContact O-NE2 2.9Å; C116-H139 VanDerWaalsContact O-NE2 3.1Å; E117-H139 WeakPolarHBondContact CA-O 3.46Å; E117-H139 VanDerWaalsContact CB-O 3.3Å; E117-H139 WeakPolarHBondContact CB-O 3.16Å; E117-H139 PolarHBondContact O-N 3.39Å; H139-I141 VanDerWaalsContact CE1-CG1 3.48Å; H139-I141 WeakPolarHBondContact CE1-CG1 3.32Å
140	I	87.1	Confident	77.7	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.01	26%	0.258	C	S	.	.			trans	-116.4	128.2	-180	-68.1	-78.4	0	0	0	109.2	E117 H251 Y286 H289 F290 Q293 Y294	E117-I140 WeakPolarHBondContact OE1-CA 3.31Å; I140-H251 HydrophobicContact CD1-CB 4.05Å; I140-H251 VanDerWaalsContact CD1-ND1 3.26Å; I140-H251 WeakPolarHBondContact CD1-ND1 3.3Å; I140-Y286 HydrophobicContact CD1-CD2 3.95Å; I140-Y286 HydrophobicContact CD1-CE1 4.26Å; I140-Y286 HydrophobicContact CD1-CE2 3.33Å; I140-Y286 HydrophobicContact CG1-CD2 4.31Å; I140-Y286 HydrophobicContact CG1-CE2 4.06Å; I140-H289 HydrophobicContact CB-CB 4.44Å; I140-H289 HydrophobicContact CG1-CB 3.98Å; I140-F290 HydrophobicContact CD1-CB 3.99Å; I140-F290 HydrophobicContact CD1-CD2 4.28Å; I140-F290 HydrophobicContact CG1-CB 3.94Å; I140-Q293 HydrophobicContact CB-CB 4.28Å; I140-Q293 HydrophobicContact CB-CG 3.83Å; I140-Q293 HydrophobicContact CG2-CB 3.84Å; I140-Q293 HydrophobicContact CG2-CG 3.92Å; I140-Y294 HydrophobicContact CG2-CD2 4.47Å; I140-Y294 HydrophobicContact CG2-CE2 3.8Å
141	I	82.8	Confident	78.5	Confident	66 Å²	66	41 Å²	41	34%	0.338	23%	0.229	S	C	.	.			trans	-88.7	136.1	172	-64.2	169.5	0	0	0	108.6	Q115 E117 H139	Q115-I141 VanDerWaalsContact C-CD1 3.49Å; Q115-I141 WeakPolarHBondContact O-CD1 3.26Å; E117-I141 HydrophobicContact CG-CB 4.27Å; E117-I141 HydrophobicContact CG-CD1 4Å; E117-I141 HydrophobicContact CG-CG1 3.99Å; E117-I141 PolarHBondContact OE1-N 3.04Å; H139-I141 VanDerWaalsContact CE1-CG1 3.48Å; H139-I141 WeakPolarHBondContact CE1-CG1 3.32Å
142	R	67.4	Low	79.2	Confident	159 Å²	159	38.9 Å²	38.9	60%	0.6	21%	0.214	S	C	*	.			trans	-76	143.1	-166.1	-63.5	177.7	-179.5	164.6	2.9	113.8
143	V	57.6	Low	79.9	Confident	63 Å²	63	32.6 Å²	32.6	38%	0.382	19%	0.187	S	C	.	.			trans	-139.4	153.7	167.8	-170.2	0	0	0	0	109.1	Y294	V143-Y294 HydrophobicContact CB-CE1 4.33Å; V143-Y294 WeakPolarHBondContact O-CE1 3.4Å
144	P	40.8	Very low	80.4	Confident	101 Å²	101	32.4 Å²	32.4	66%	0.656	19%	0.186	S	C	*	.			trans	-94.5	155.7	-167.1	28.9	-32.2	0	0	0	121.2	R298	P144-R298 VanDerWaalsContact C-CD 3.5Å; P144-R298 VanDerWaalsContact C-CG 3.41Å; P144-R298 WeakPolarHBondContact O-CD 3.43Å; P144-R298 WeakPolarHBondContact O-CG 3.48Å; P144-R298 PolarHBondContact O-NE 2.81Å
145	A	41.9	Very low	80.5	Confident	67 Å²	67	31.3 Å²	31.3	55%	0.554	18%	0.179	S	C	*	.			trans	82	106.8	150.7	0	0	0	0	0	127.5	R297 P299	A145-R297 CarbonylContact C-O 3.58Å; A145-R297 WeakPolarHBondContact CA-O 3.13Å; A145-R297 PolarHBondContact N-O 3.46Å; A145-P299 WeakPolarHBondContact O-CD 3.21Å
146	S	41.4	Very low	80.6	Confident	82 Å²	82	31.3 Å²	31.3	57%	0.573	18%	0.179	S	C	*	.			trans	34.9	149.3	160.5	-88.2	0	0	0	0	133	R297 P299	S146-R297 PolarHBondContact N-O 3.36Å; S146-P299 VanDerWaalsContact C-CA 3.49Å; S146-P299 VanDerWaalsContact C-CG 3.43Å; S146-P299 VanDerWaalsContact CA-CD 3.42Å; S146-P299 WeakPolarHBondContact O-CB 3.02Å; S146-P299 WeakPolarHBondContact O-CD 3.22Å; S146-P299 WeakPolarHBondContact O-CG 3.43Å
147	P	56.4	Low	80.7	Confident	47 Å²	47	31.2 Å²	31.2	31%	0.305	18%	0.179	S	C	.	.				-90.6	-172	-99.6	46.7	-35.1	0	0	0	122.5	Y235 P299 N337	P147-Y235 WeakPolarHBondContact O-CE1 3.45Å; P147-Y235 PolarHBondContact O-OH 2.9Å; P147-P299 VanDerWaalsContact N-CB 3.34Å; P147-P299 WeakPolarHBondContact O-CB 3.36Å; P147-N337 HydrophobicContact CB-CB 4.36Å; P147-N337 WeakPolarHBondContact CB-ND2 3.31Å
148	R	76	Confident	80.8	Confident	10 Å²	10	30.1 Å²	30.1	4%	0.038	17%	0.174	C	C	.	.				-142.4	143.8	-92.6	-55.9	-173.8	-178.6	141.3	15.7	115.9	Y294 N295 R298 V300 Y334 N337 V338 V339	R148-Y294 PolarHBondContact NH2-O 2.95Å; R148-N295 PolarHBondContact NH1-OD1 3.1Å; R148-R298 PolarHBondContact NE-O 3.38Å; R148-V300 CarbonylContact C-O 3.59Å; R148-V300 VanDerWaalsContact CA-O 3.24Å; R148-V300 WeakPolarHBondContact CA-O 3.48Å; R148-V300 HydrophobicContact CB-CG2 3.58Å; R148-V300 HydrophobicContact CG-CG2 3.77Å; R148-Y334 PolarHBondContact NH1-O 2.81Å; R148-N337 WeakPolarHBondContact CD-OD1 3.45Å; R148-N337 PolarHBondContact NE-OD1 2.7Å; R148-N337 PolarHBondContact NH1-OD1 3.27Å; R148-V338 HydrophobicContact CB-CB 4.04Å; R148-V338 HydrophobicContact CB-CG1 4.2Å; R148-V338 HydrophobicContact CB-CG2 3.52Å; R148-V338 HydrophobicContact CG-CG2 3.99Å; R148-V339 PolarHBondContact O-N 2.93Å; R148-V339 VanDerWaalsContact O-N 3.17Å
149	V	94.1	Very high	80.9	Confident	4 Å²	4	31.9 Å²	31.9	2%	0.024	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	137.4	167.1	178.4	0	0	0	0	109.7	L151 Y230 V300 F301 G302 F341 L404 L407	V149-L151 HydrophobicContact CG1-CD1 3.66Å; V149-L151 HydrophobicContact CG1-CG 4.43Å; V149-Y230 HydrophobicContact CG2-CE1 4.29Å; V149-V300 PolarHBondContact N-O 2.79Å; V149-F301 HydrophobicContact CB-CD2 4.25Å; V149-F301 WeakPolarHBondContact O-CA 3.33Å; V149-G302 PolarHBondContact O-N 2.88Å; V149-F341 HydrophobicContact CG1-CD2 3.85Å; V149-F341 HydrophobicContact CG1-CE2 3.78Å; V149-L404 HydrophobicContact CG1-CD2 3.73Å; V149-L407 HydrophobicContact CG2-CD1 3.99Å
150	L	96.5	Very high	81	Confident	1 Å²	1	31.4 Å²	31.4	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	123.2	167.4	174	74.2	0	0	0	109.6	V287 L291 G302 I331 V338 V339 L340 F341	L150-V287 HydrophobicContact CD1-CG1 3.86Å; L150-V287 HydrophobicContact CD2-CG1 4.2Å; L150-L291 HydrophobicContact CD2-CD1 3.95Å; L150-L291 HydrophobicContact CD2-CD2 4.42Å; L150-G302 CarbonylContact C-O 3.15Å; L150-G302 WeakPolarHBondContact CA-O 3.46Å; L150-I331 HydrophobicContact CD2-CD1 4.4Å; L150-V338 HydrophobicContact CB-CG1 3.86Å; L150-V339 PolarHBondContact N-O 2.76Å; L150-V339 VanDerWaalsContact N-O 3.08Å; L150-L340 HydrophobicContact CB-CD2 3.99Å; L150-L340 HydrophobicContact CD2-CD2 3.73Å; L150-L340 HydrophobicContact CG-CD2 4.34Å; L150-F341 PolarHBondContact O-N 2.82Å
151	L	98.1	Very high	81.4	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	114.1	168.8	-61.2	92.2	0	0	0	107.9	V149 M199 F301 G302 L303 N304 F341 L343 L400 L404	V149-L151 HydrophobicContact CG1-CD1 3.66Å; V149-L151 HydrophobicContact CG1-CG 4.43Å; L151-M199 HydrophobicContact CD2-CG 4.36Å; L151-M199 HydrophobicContact CD2-SD 3.47Å; L151-M199 WeakPolarHBondContact CD2-SD 3.32Å; L151-F301 HydrophobicContact CD1-CD2 4.5Å; L151-F301 HydrophobicContact CD1-CE1 4.25Å; L151-F301 HydrophobicContact CD1-CE2 3.77Å; L151-F301 HydrophobicContact CD1-CZ 3.62Å; L151-G302 PolarHBondContact N-O 2.85Å; L151-L303 HydrophobicContact CB-CD1 3.71Å; L151-N304 PolarHBondContact O-N 3.23Å; L151-F341 HydrophobicContact CG-CB 4.32Å; L151-F341 HydrophobicContact CG-CD2 4.36Å; L151-L343 HydrophobicContact CB-CD2 4.17Å; L151-L400 HydrophobicContact CD2-CD2 4.11Å; L151-L404 HydrophobicContact CD1-CD2 4.27Å; L151-L404 HydrophobicContact CD2-CD1 4.25Å
152	F	97.8	Very high	82.1	Confident	1 Å²	1	28.2 Å²	28.2	0%	0.004	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	91.4	173.7	-169.7	-85.7	0	0	0	108.1	I154 L284 N304 Q306 F324 F327 F328 F341 V342 L343	F152-I154 HydrophobicContact CD1-CD1 4.27Å; F152-I154 HydrophobicContact CD1-CG1 3.99Å; F152-I154 HydrophobicContact CE1-CD1 3.95Å; F152-I154 HydrophobicContact CE1-CG1 3.77Å; F152-L284 HydrophobicContact CE2-CD2 3.54Å; F152-L284 HydrophobicContact CZ-CD2 3.7Å; F152-N304 HydrophobicContact CD2-CB 4.39Å; F152-N304 VanDerWaalsContact CD2-OD1 3.28Å; F152-N304 WeakPolarHBondContact CD2-OD1 3.38Å; F152-N304 WeakPolarHBondContact CE2-OD1 3.42Å; F152-Q306 HydrophobicContact CE1-CG 4.19Å; F152-Q306 HydrophobicContact CE2-CG 4.46Å; F152-Q306 HydrophobicContact CZ-CG 3.9Å; F152-F324 AromaticContact CE1-CD2 3.85Å; F152-F324 HydrophobicContact CE1-CD2 3.85Å; F152-F324 AromaticContact CE1-CE2 3.89Å; F152-F324 HydrophobicContact CE1-CE2 3.89Å; F152-F324 HydrophobicContact CE1-CG 4.36Å; F152-F324 HydrophobicContact CE1-CZ 4.38Å; F152-F324 HydrophobicContact CZ-CD1 4.21Å; F152-F324 HydrophobicContact CZ-CD2 4.04Å; F152-F324 HydrophobicContact CZ-CE1 4.17Å; F152-F324 HydrophobicContact CZ-CE2 4.05Å; F152-F324 HydrophobicContact CZ-CG 4.16Å; F152-F324 HydrophobicContact CZ-CZ 4.11Å; F152-F327 AromaticContact CD2-CE1 3.93Å; F152-F327 HydrophobicContact CD2-CE1 3.93Å; F152-F327 HydrophobicContact CE2-CD1 4.16Å; F152-F327 AromaticContact CE2-CE1 3.71Å; F152-F327 HydrophobicContact CE2-CE1 3.71Å; F152-F327 HydrophobicContact CE2-CZ 4.39Å; F152-F328 HydrophobicContact CB-CZ 4.06Å; F152-F328 HydrophobicContact CD1-CE2 4.01Å; F152-F328 HydrophobicContact CD1-CZ 4.1Å; F152-F328 HydrophobicContact CD2-CE2 4.28Å; F152-F328 HydrophobicContact CD2-CZ 4.22Å; F152-F328 HydrophobicContact CE1-CE2 4.13Å; F152-F328 HydrophobicContact CE2-CE2 4.39Å; F152-F328 HydrophobicContact CG-CE2 4.09Å; F152-F328 AromaticContact CG-CZ 3.85Å; F152-F328 HydrophobicContact CG-CZ 3.85Å; F152-F328 HydrophobicContact CZ-CE2 4.33Å; F152-F341 PolarHBondContact N-O 3.21Å; F152-V342 HydrophobicContact CB-CG2 4.36Å; F152-V342 HydrophobicContact CD1-CG1 4.36Å; F152-V342 WeakPolarHBondContact O-CA 3.04Å; F152-L343 PolarHBondContact O-N 2.79Å; F152-L343 VanDerWaalsContact O-N 3.07Å
153	L	98	Very high	83.4	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	134.5	-176.7	-167.6	154.9	0	0	0	110.8	D155 M199 L303 N304 W305 Q306 L343	L153-D155 HydrophobicContact CD2-CB 3.8Å; L153-M199 HydrophobicContact CD1-CE 3.76Å; L153-L303 HydrophobicContact CB-CD1 4.35Å; L153-N304 WeakPolarHBondContact CB-O 2.98Å; L153-N304 PolarHBondContact N-O 2.04Å; L153-W305 HydrophobicContact CB-CD2 4.48Å; L153-W305 HydrophobicContact CD1-CD2 4.03Å; L153-W305 HydrophobicContact CD1-CE3 3.69Å; L153-W305 HydrophobicContact CD1-CH2 3.7Å; L153-W305 HydrophobicContact CD1-CZ2 4.04Å; L153-W305 HydrophobicContact CD1-CZ3 3.52Å; L153-W305 HydrophobicContact CD2-CD2 3.62Å; L153-W305 HydrophobicContact CD2-CE3 4.18Å; L153-W305 HydrophobicContact CD2-CG 3.93Å; L153-W305 HydrophobicContact CD2-CH2 4.28Å; L153-W305 HydrophobicContact CD2-CZ2 3.74Å; L153-W305 HydrophobicContact CD2-CZ3 4.49Å; L153-W305 HydrophobicContact CG-CD2 4.23Å; L153-W305 HydrophobicContact CG-CE3 4.34Å; L153-Q306 PolarHBondContact O-N 3.43Å; L153-L343 CarbonylContact C-O 3.53Å; L153-L343 VanDerWaalsContact CA-O 3.23Å; L153-L343 WeakPolarHBondContact CA-O 3.42Å; L153-L343 HydrophobicContact CB-CD2 3.91Å; L153-L343 HydrophobicContact CB-CG 4.29Å; L153-L343 HydrophobicContact CD1-CG 4.19Å; L153-L343 HydrophobicContact CG-CD2 4.34Å; L153-L343 HydrophobicContact CG-CG 4.16Å
154	I	96.9	Very high	85.2	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	106.1	176.5	-50.5	171.5	0	0	0	108.5	F152 S156 M157 F162 L169 S310 V317 F324 V342 L343 S344	F152-I154 HydrophobicContact CD1-CD1 4.27Å; F152-I154 HydrophobicContact CD1-CG1 3.99Å; F152-I154 HydrophobicContact CE1-CD1 3.95Å; F152-I154 HydrophobicContact CE1-CG1 3.77Å; I154-S156 WeakPolarHBondContact O-CA 3.32Å; I154-M157 HydrophobicContact CB-CG 4.43Å; I154-M157 HydrophobicContact CB-SD 4.4Å; I154-M157 HydrophobicContact CD1-SD 4.44Å; I154-M157 HydrophobicContact CG2-CG 3.85Å; I154-M157 HydrophobicContact CG2-SD 3.73Å; I154-F162 HydrophobicContact CD1-CE2 4.1Å; I154-L169 HydrophobicContact CD1-CD2 4.4Å; I154-S310 WeakPolarHBondContact CG2-OG 3.33Å; I154-V317 HydrophobicContact CG2-CG2 4.07Å; I154-F324 HydrophobicContact CD1-CD2 4.06Å; I154-F324 HydrophobicContact CD1-CE2 3.9Å; I154-F324 HydrophobicContact CG1-CE2 4.16Å; I154-V342 HydrophobicContact CD1-CG1 4.39Å; I154-L343 PolarHBondContact N-O 2.94Å; I154-S344 VanDerWaalsContact O-CB 3.3Å; I154-S344 WeakPolarHBondContact O-CB 3.06Å; I154-S344 PolarHBondContact O-OG 3.44Å
155	D	94.4	Very high	87.8	Confident	6 Å²	6	14.4 Å²	14.4	3%	0.032	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	107.7	-175.9	173.5	1.1	0	0	0	110.1	L153 S192 W305 Q306 S310 H311 H346	L153-D155 HydrophobicContact CD2-CB 3.8Å; D155-S192 PolarHBondContact OD2-OG 3Å; D155-W305 HydrophobicContact CB-CZ2 4.37Å; D155-W305 PolarHBondContact OD2-NE1 2.72Å; D155-Q306 PolarHBondContact N-O 3.32Å; D155-S310 VanDerWaalsContact C-OG 3.3Å; D155-S310 CarbonylContact O-C 3.57Å; D155-S310 VanDerWaalsContact O-CB 3.31Å; D155-S310 WeakPolarHBondContact O-CB 3.29Å; D155-S310 PolarHBondContact O-OG 2.89Å; D155-H311 WeakPolarHBondContact O-CA 3.16Å; D155-H311 PolarHBondContact O-N 3.13Å; D155-H311 IonicContact OD1-CD2 3.77Å; D155-H311 PolarHBondContact OD1-CD2 3.24Å; D155-H346 IonicContact OD1-CE1 2.72Å
156	S	94.4	Very high	90.5	Very high	3 Å²	3	11.2 Å²	11.2	2%	0.021	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	cis	-131.3	146.2	1.1	64.9	0	0	0	0	110.6	I154 S344 D345 H346 G347	I154-S156 WeakPolarHBondContact O-CA 3.32Å; S156-S344 WeakPolarHBondContact CA-OG 3.26Å; S156-D345 WeakPolarHBondContact CB-OD1 3.29Å; S156-H346 WeakPolarHBondContact CB-CE1 3.31Å; S156-H346 WeakPolarHBondContact CB-ND1 3.36Å; S156-H346 WeakPolarHBondContact CB-O 3.42Å; S156-H346 PolarHBondContact OG-CE1 3.04Å; S156-H346 PolarHBondContact OG-ND1 2.81Å; S156-G347 PolarHBondContact OG-O 3.48Å
157	M	95	Very high	93.1	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.056	C	C	.	.			trans	-144.5	128.7	-179.2	-64.6	-159.9	73.8	0	0	111.9	I154 N161 F162 C165 M166 V317 S344 H346 P366 V367	I154-M157 HydrophobicContact CB-CG 4.43Å; I154-M157 HydrophobicContact CB-SD 4.4Å; I154-M157 HydrophobicContact CD1-SD 4.44Å; I154-M157 HydrophobicContact CG2-CG 3.85Å; I154-M157 HydrophobicContact CG2-SD 3.73Å; M157-N161 HydrophobicContact CE-CB 4.38Å; M157-F162 HydrophobicContact CE-CB 4.19Å; M157-F162 HydrophobicContact CE-CD2 4.32Å; M157-F162 HydrophobicContact SD-CD2 4.08Å; M157-C165 HydrophobicContact CE-CB 4.2Å; M157-M166 HydrophobicContact CE-CG 3.85Å; M157-M166 HydrophobicContact SD-CG 4Å; M157-V317 HydrophobicContact CE-CG1 3.5Å; M157-V317 VanDerWaalsContact CE-CG1 3.5Å; M157-V317 HydrophobicContact CE-CG2 4.45Å; M157-V317 HydrophobicContact SD-CB 4.26Å; M157-V317 HydrophobicContact SD-CG1 3.85Å; M157-V317 HydrophobicContact SD-CG2 3.68Å; M157-S344 PolarHBondContact N-OG 2.83Å; M157-S344 WeakPolarHBondContact O-CB 3.39Å; M157-S344 PolarHBondContact O-OG 2.98Å; M157-H346 CarbonylContact C-O 3.57Å; M157-H346 PolarHBondContact N-O 2.99Å; M157-H346 VanDerWaalsContact N-O 3.15Å; M157-P366 WeakPolarHBondContact O-CA 3.37Å; M157-V367 HydrophobicContact CB-CG1 4.08Å; M157-V367 PolarHBondContact O-N 2.87Å
158	S	95.5	Very high	95.1	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.007	6%	0.062	C	C	.	.	B	Isolated β-bridge	trans	-73	160.5	164.9	74.9	0	0	0	0	110.9	S160 N161 F162 E362 T365	S158-S160 VanDerWaalsContact C-N 3.3Å; S158-S160 PolarHBondContact O-N 3.09Å; S158-N161 PolarHBondContact O-N 2.79Å; S158-N161 WeakPolarHBondContact OG-CB 3.43Å; S158-N161 PolarHBondContact OG-N 2.94Å; S158-F162 WeakPolarHBondContact O-CB 3.3Å; S158-F162 PolarHBondContact O-N 3.03Å; S158-E362 WeakPolarHBondContact CB-O 3.5Å; S158-E362 VanDerWaalsContact OG-CD 3.3Å; S158-E362 PolarHBondContact OG-OE2 3.29Å; S158-T365 CarbonylContact C-O 3.58Å; S158-T365 VanDerWaalsContact CA-O 3.29Å; S158-T365 WeakPolarHBondContact CA-O 3.39Å
159	R	95.3	Very high	96.2	Very high	45 Å²	45	11.9 Å²	11.9	17%	0.17	6%	0.06	C	C	.	.	H	α-helix	trans	-52.4	-50.4	171.1	179.7	-177.6	172.4	-78.7	6	111.5	N161 F162 V163 M181 D183 T365	R159-N161 PolarHBondContact O-N 3.2Å; R159-F162 WeakPolarHBondContact O-CB 3.45Å; R159-F162 PolarHBondContact O-N 3.32Å; R159-V163 PolarHBondContact O-N 2.94Å; R159-V163 VanDerWaalsContact O-N 3.1Å; R159-M181 HydrophobicContact CG-CG 4.29Å; R159-M181 HydrophobicContact CG-SD 3.61Å; R159-D183 IonicContact CZ-OD1 3.67Å; R159-D183 IonicContact NE-OD1 3.32Å; R159-D183 PolarHBondContact NE-OD1 3.08Å; R159-D183 IonicContact NH2-OD1 3.55Å; R159-D183 PolarHBondContact NH2-OD1 3.33Å; R159-T365 PolarHBondContact N-O 2.67Å
160	S	94.5	Very high	96.4	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.007	7%	0.072	C	C	.	.	H	α-helix	trans	-64.4	-40	-179.6	-67.8	0	0	0	0	112.5	S158 F162 V163 R164 E362	S158-S160 VanDerWaalsContact C-N 3.3Å; S158-S160 PolarHBondContact O-N 3.09Å; S160-F162 VanDerWaalsContact C-N 3.33Å; S160-F162 PolarHBondContact O-N 2.86Å; S160-V163 PolarHBondContact O-N 2.91Å; S160-R164 PolarHBondContact O-N 3.48Å; S160-R164 PolarHBondContact O-NH1 3.22Å; S160-E362 VanDerWaalsContact CB-OE1 3.24Å; S160-E362 WeakPolarHBondContact CB-OE1 3.34Å
161	N	94.9	Very high	96.5	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.011	9%	0.094	C	C	.	.	H	α-helix	trans	-65.3	-37.6	175.1	-177.7	-152.4	0	0	0	112	M157 S158 R159 R164 C165 I314	M157-N161 HydrophobicContact CE-CB 4.38Å; S158-N161 PolarHBondContact O-N 2.79Å; S158-N161 WeakPolarHBondContact OG-CB 3.43Å; S158-N161 PolarHBondContact OG-N 2.94Å; R159-N161 PolarHBondContact O-N 3.2Å; N161-R164 PolarHBondContact O-N 2.63Å; N161-C165 PolarHBondContact ND2-SG 3.32Å; N161-C165 VanDerWaalsContact O-CB 3.32Å; N161-C165 WeakPolarHBondContact O-CB 3.05Å; N161-C165 PolarHBondContact O-N 3.03Å; N161-I314 HydrophobicContact CB-CG1 4.5Å; N161-I314 WeakPolarHBondContact ND2-CG1 3.33Å; N161-I314 PolarHBondContact ND2-O 3.31Å
162	F	96.7	Very high	96.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-60.5	-45.9	174.5	-171.1	-91.4	0	0	0	111.6	I154 M157 S158 R159 S160 R164 C165 M166 L169 F170 L173 M181 V342 V367 I369	I154-F162 HydrophobicContact CD1-CE2 4.1Å; M157-F162 HydrophobicContact CE-CB 4.19Å; M157-F162 HydrophobicContact CE-CD2 4.32Å; M157-F162 HydrophobicContact SD-CD2 4.08Å; S158-F162 WeakPolarHBondContact O-CB 3.3Å; S158-F162 PolarHBondContact O-N 3.03Å; R159-F162 WeakPolarHBondContact O-CB 3.45Å; R159-F162 PolarHBondContact O-N 3.32Å; S160-F162 VanDerWaalsContact C-N 3.33Å; S160-F162 PolarHBondContact O-N 2.86Å; F162-R164 VanDerWaalsContact C-N 3.32Å; F162-R164 PolarHBondContact O-N 2.94Å; F162-C165 PolarHBondContact O-N 2.66Å; F162-M166 HydrophobicContact CD2-CB 4.02Å; F162-M166 HydrophobicContact CD2-CG 4.05Å; F162-M166 HydrophobicContact CE1-CB 4.47Å; F162-M166 HydrophobicContact CE2-CB 3.97Å; F162-M166 HydrophobicContact CE2-CG 4.18Å; F162-M166 HydrophobicContact CG-CB 4.3Å; F162-M166 HydrophobicContact CZ-CB 4.21Å; F162-M166 WeakPolarHBondContact O-CA 2.97Å; F162-M166 WeakPolarHBondContact O-CB 3.29Å; F162-M166 PolarHBondContact O-N 3.06Å; F162-L169 HydrophobicContact CE2-CD2 3.81Å; F162-L169 HydrophobicContact CZ-CD2 3.73Å; F162-L169 HydrophobicContact CZ-CG 3.96Å; F162-F170 HydrophobicContact CD1-CB 4.34Å; F162-F170 HydrophobicContact CD1-CD2 4.38Å; F162-F170 HydrophobicContact CE1-CB 3.8Å; F162-F170 AromaticContact CE1-CD2 3.98Å; F162-F170 HydrophobicContact CE1-CD2 3.98Å; F162-F170 HydrophobicContact CE1-CG 4.29Å; F162-L173 HydrophobicContact CE1-CD1 4.42Å; F162-L173 HydrophobicContact CZ-CD1 3.92Å; F162-M181 HydrophobicContact CD1-CE 3.78Å; F162-M181 HydrophobicContact CE1-CE 4.15Å; F162-V342 HydrophobicContact CE2-CG1 4.21Å; F162-V342 HydrophobicContact CZ-CG1 4.35Å; F162-V367 HydrophobicContact CB-CB 3.95Å; F162-V367 HydrophobicContact CB-CG1 4.31Å; F162-V367 HydrophobicContact CB-CG2 3.87Å; F162-V367 HydrophobicContact CD1-CG2 4.02Å; F162-V367 HydrophobicContact CD2-CB 4.39Å; F162-V367 HydrophobicContact CD2-CG1 4.03Å; F162-V367 HydrophobicContact CD2-CG2 4.04Å; F162-V367 HydrophobicContact CG-CB 4.22Å; F162-V367 HydrophobicContact CG-CG1 4.35Å; F162-V367 HydrophobicContact CG-CG2 3.72Å; F162-I369 HydrophobicContact CD1-CD1 4.17Å; F162-I369 HydrophobicContact CE1-CD1 3.56Å; F162-I369 HydrophobicContact CZ-CD1 3.84Å
163	V	96.1	Very high	96.5	Very high	30 Å²	30	18.8 Å²	18.8	18%	0.182	9%	0.094	C	C	.	.	H	α-helix	trans	-60	-41.6	175	175	0	0	0	0	111.8	P63 R159 S160	P63-V163 HydrophobicContact CB-CB 4.04Å; P63-V163 HydrophobicContact CB-CG1 3.96Å; P63-V163 HydrophobicContact CG-CB 4Å; P63-V163 HydrophobicContact CG-CG1 3.92Å; P63-V163 HydrophobicContact CG-CG2 4.34Å; R159-V163 PolarHBondContact O-N 2.94Å; R159-V163 VanDerWaalsContact O-N 3.1Å; S160-V163 PolarHBondContact O-N 2.91Å
164	R	94.9	Very high	96.5	Very high	3 Å²	3	20.9 Å²	20.9	1%	0.011	11%	0.108	C	C	.	.	H	α-helix	trans	-70.2	-44.9	178.8	-72	-168.5	-66.3	-79.7	0.2	113.7	P63 W64 V68 Y72 S160 N161 F162 E362	P63-R164 HydrophobicContact CB-CG 4.2Å; P63-R164 WeakPolarHBondContact O-CD 2.72Å; P63-R164 VanDerWaalsContact O-CG 3.26Å; P63-R164 WeakPolarHBondContact O-CG 3.34Å; P63-R164 PolarHBondContact O-NH1 2.78Å; W64-R164 HydrophobicContact CD2-CG 4.27Å; W64-R164 HydrophobicContact CE3-CG 4.01Å; W64-R164 HydrophobicContact CH2-CB 4.04Å; W64-R164 HydrophobicContact CH2-CG 3.85Å; W64-R164 HydrophobicContact CZ2-CB 4.47Å; W64-R164 HydrophobicContact CZ2-CG 4.11Å; W64-R164 HydrophobicContact CZ3-CB 4.3Å; W64-R164 HydrophobicContact CZ3-CG 3.79Å; V68-R164 VanDerWaalsContact CG1-CZ 3.49Å; Y72-R164 HydrophobicContact CD2-CB 4.35Å; Y72-R164 HydrophobicContact CE2-CB 4.36Å; S160-R164 PolarHBondContact O-N 3.48Å; S160-R164 PolarHBondContact O-NH1 3.22Å; N161-R164 PolarHBondContact O-N 2.63Å; F162-R164 VanDerWaalsContact C-N 3.32Å; F162-R164 PolarHBondContact O-N 2.94Å; R164-E362 IonicContact CZ-OE1 3.91Å; R164-E362 VanDerWaalsContact CZ-OE1 3.27Å; R164-E362 IonicContact CZ-OE2 2.93Å; R164-E362 IonicContact NH1-OE1 3.19Å; R164-E362 PolarHBondContact NH1-OE1 3.23Å; R164-E362 IonicContact NH1-OE2 3.96Å; R164-E362 VanDerWaalsContact NH2-CD 3.26Å; R164-E362 IonicContact NH2-OE1 3.36Å; R164-E362 PolarHBondContact NH2-OE1 3.41Å; R164-E362 IonicContact NH2-OE2 3.12Å; R164-E362 PolarHBondContact NH2-OE2 2.84Å
165	C	96.2	Very high	96.5	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-104.4	-15.4	-163.7	-70.8	0	0	0	0	114.3	M157 N161 F162 V317 Q318	M157-C165 HydrophobicContact CE-CB 4.2Å; N161-C165 PolarHBondContact ND2-SG 3.32Å; N161-C165 VanDerWaalsContact O-CB 3.32Å; N161-C165 WeakPolarHBondContact O-CB 3.05Å; N161-C165 PolarHBondContact O-N 3.03Å; F162-C165 PolarHBondContact O-N 2.66Å; C165-V317 HydrophobicContact CB-CG1 3.75Å; C165-Q318 HydrophobicContact CB-CG 3.56Å; C165-Q318 WeakPolarHBondContact O-CG 2.92Å
166	M	97	Very high	96.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.134	C	C	.	.			trans	-124	45.7	179.8	-58.4	-61.7	-84.3	0	0	112.9	M157 F162 K168 L169 F170 V317 D321 F324	M157-M166 HydrophobicContact CE-CG 3.85Å; M157-M166 HydrophobicContact SD-CG 4Å; F162-M166 HydrophobicContact CD2-CB 4.02Å; F162-M166 HydrophobicContact CD2-CG 4.05Å; F162-M166 HydrophobicContact CE1-CB 4.47Å; F162-M166 HydrophobicContact CE2-CB 3.97Å; F162-M166 HydrophobicContact CE2-CG 4.18Å; F162-M166 HydrophobicContact CG-CB 4.3Å; F162-M166 HydrophobicContact CZ-CB 4.21Å; F162-M166 WeakPolarHBondContact O-CA 2.97Å; F162-M166 WeakPolarHBondContact O-CB 3.29Å; F162-M166 PolarHBondContact O-N 3.06Å; M166-K168 VanDerWaalsContact C-N 3.31Å; M166-K168 PolarHBondContact O-N 3.46Å; M166-L169 HydrophobicContact CB-CB 4.27Å; M166-L169 HydrophobicContact CE-CB 4.35Å; M166-L169 HydrophobicContact CE-CD2 3.75Å; M166-L169 PolarHBondContact O-N 2.92Å; M166-F170 VanDerWaalsContact O-CB 3.23Å; M166-F170 WeakPolarHBondContact O-CB 3.36Å; M166-F170 PolarHBondContact O-N 2.86Å; M166-V317 HydrophobicContact CE-CG2 4.29Å; M166-V317 HydrophobicContact SD-CG1 4.35Å; M166-V317 HydrophobicContact SD-CG2 3.85Å; M166-D321 WeakPolarHBondContact CA-OD1 3.39Å; M166-D321 HydrophobicContact CE-CB 4.38Å; M166-D321 HydrophobicContact SD-CB 3.76Å; M166-F324 HydrophobicContact CE-CB 4.08Å; M166-F324 HydrophobicContact CE-CD2 3.2Å; M166-F324 HydrophobicContact CE-CE2 3.86Å; M166-F324 HydrophobicContact CE-CG 3.94Å
167	P	97.3	Very high	96.7	Very high	56 Å²	56	26.1 Å²	26.1	36%	0.364	14%	0.137	S	C	.	.	H	α-helix	trans	-63.3	-33.1	-174.5	27.2	-36.5	0	0	0	113.3	N171 D321	P167-N171 WeakPolarHBondContact O-CB 3.43Å; P167-N171 PolarHBondContact O-N 2.89Å; P167-D321 VanDerWaalsContact CD-OD2 3.24Å; P167-D321 WeakPolarHBondContact CD-OD2 3.33Å
168	K	98.5	Very high	96.7	Very high	96 Å²	96	33 Å²	33	42%	0.417	17%	0.167	S	C	.	.	H	α-helix	trans	-71.9	-46.5	179.5	-61.6	172.8	-177.8	179.9	0	110.6	M166 F170 N171 V172 D321 E322 A325	M166-K168 VanDerWaalsContact C-N 3.31Å; M166-K168 PolarHBondContact O-N 3.46Å; K168-F170 VanDerWaalsContact C-N 3.35Å; K168-N171 PolarHBondContact O-N 3.07Å; K168-V172 WeakPolarHBondContact O-CG2 3.29Å; K168-V172 PolarHBondContact O-N 2.91Å; K168-D321 WeakPolarHBondContact CB-OD1 3.36Å; K168-D321 WeakPolarHBondContact CB-OD2 3.25Å; K168-D321 VanDerWaalsContact CG-OD2 3.26Å; K168-D321 WeakPolarHBondContact CG-OD2 3.44Å; K168-D321 PolarHBondContact N-OD1 2.93Å; K168-D321 VanDerWaalsContact N-OD1 3.09Å; K168-D321 PolarHBondContact N-OD2 2.61Å; K168-D321 VanDerWaalsContact N-OD2 3.12Å; K168-E322 HydrophobicContact CD-CB 4.33Å; K168-E322 VanDerWaalsContact CD-OE2 3.25Å; K168-E322 WeakPolarHBondContact CD-OE2 3.45Å; K168-E322 WeakPolarHBondContact CE-OE2 3.25Å; K168-E322 IonicContact NZ-OE2 3.79Å; K168-E322 PolarHBondContact NZ-OE2 3.37Å; K168-A325 HydrophobicContact CB-CB 3.92Å
169	L	98.5	Very high	96.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61.5	-45.3	174.8	174	61.1	0	0	0	110.9	I154 F162 M166 N171 V172 L173 D321 F324 F328	I154-L169 HydrophobicContact CD1-CD2 4.4Å; F162-L169 HydrophobicContact CE2-CD2 3.81Å; F162-L169 HydrophobicContact CZ-CD2 3.73Å; F162-L169 HydrophobicContact CZ-CG 3.96Å; M166-L169 HydrophobicContact CB-CB 4.27Å; M166-L169 HydrophobicContact CE-CB 4.35Å; M166-L169 HydrophobicContact CE-CD2 3.75Å; M166-L169 PolarHBondContact O-N 2.92Å; L169-N171 VanDerWaalsContact C-N 3.27Å; L169-N171 PolarHBondContact O-N 3.49Å; L169-V172 PolarHBondContact O-N 3.42Å; L169-V172 VanDerWaalsContact O-N 3.12Å; L169-L173 HydrophobicContact CD1-CD1 3.96Å; L169-L173 HydrophobicContact CD1-CD2 4.42Å; L169-L173 HydrophobicContact CD1-CG 3.93Å; L169-L173 HydrophobicContact CD2-CD1 4.49Å; L169-L173 HydrophobicContact CG-CD1 3.88Å; L169-L173 HydrophobicContact CG-CG 4.29Å; L169-L173 WeakPolarHBondContact O-CG 3.23Å; L169-L173 PolarHBondContact O-N 2.96Å; L169-D321 PolarHBondContact N-OD1 3.01Å; L169-F324 HydrophobicContact CD1-CB 4.28Å; L169-F324 HydrophobicContact CD2-CB 3.91Å; L169-F324 HydrophobicContact CD2-CD2 4.07Å; L169-F324 HydrophobicContact CG-CB 4.46Å; L169-F328 HydrophobicContact CD1-CB 4.3Å; L169-F328 HydrophobicContact CD1-CD2 3.29Å; L169-F328 HydrophobicContact CD1-CE2 3.8Å; L169-F328 HydrophobicContact CD1-CG 3.93Å
170	F	98.2	Very high	97	Very high	65 Å²	65	32.8 Å²	32.8	29%	0.285	17%	0.17	S	C	.	.	H	α-helix	trans	-58	-40.9	176.7	-179.4	-125	0	0	0	111.9	F162 M166 K168 L173 S174 M181	F162-F170 HydrophobicContact CD1-CB 4.34Å; F162-F170 HydrophobicContact CD1-CD2 4.38Å; F162-F170 HydrophobicContact CE1-CB 3.8Å; F162-F170 AromaticContact CE1-CD2 3.98Å; F162-F170 HydrophobicContact CE1-CD2 3.98Å; F162-F170 HydrophobicContact CE1-CG 4.29Å; M166-F170 VanDerWaalsContact O-CB 3.23Å; M166-F170 WeakPolarHBondContact O-CB 3.36Å; M166-F170 PolarHBondContact O-N 2.86Å; K168-F170 VanDerWaalsContact C-N 3.35Å; F170-L173 PolarHBondContact O-N 3.25Å; F170-S174 WeakPolarHBondContact O-CB 3.28Å; F170-S174 PolarHBondContact O-N 2.79Å; F170-S174 PolarHBondContact O-OG 3.39Å; F170-M181 HydrophobicContact CD2-CE 3.64Å; F170-M181 HydrophobicContact CE2-CE 3.39Å; F170-M181 HydrophobicContact CE2-SD 4.27Å; F170-M181 HydrophobicContact CZ-CE 4.3Å
171	N	98.5	Very high	97.1	Very high	86 Å²	86	33.9 Å²	33.9	46%	0.46	18%	0.175	S	C	.	.	H	α-helix	trans	-64	-42.8	174.6	-177.6	60.6	0	0	0	112.3	P167 K168 L169 S174 S175	P167-N171 WeakPolarHBondContact O-CB 3.43Å; P167-N171 PolarHBondContact O-N 2.89Å; K168-N171 PolarHBondContact O-N 3.07Å; L169-N171 VanDerWaalsContact C-N 3.27Å; L169-N171 PolarHBondContact O-N 3.49Å; N171-S174 WeakPolarHBondContact CA-OG 3.25Å; N171-S174 PolarHBondContact O-OG 2.96Å; N171-S175 VanDerWaalsContact O-CB 3.22Å; N171-S175 WeakPolarHBondContact O-CB 3.45Å; N171-S175 PolarHBondContact O-N 3.39Å; N171-S175 PolarHBondContact O-OG 3.41Å
172	V	98.5	Very high	97.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.1	-47.4	176.4	171.1	0	0	0	0	111.1	K168 L169 E176 Y177 A325 F328 R329	K168-V172 WeakPolarHBondContact O-CG2 3.29Å; K168-V172 PolarHBondContact O-N 2.91Å; L169-V172 PolarHBondContact O-N 3.42Å; L169-V172 VanDerWaalsContact O-N 3.12Å; V172-E176 WeakPolarHBondContact O-CA 3.41Å; V172-E176 VanDerWaalsContact O-CB 3.28Å; V172-E176 WeakPolarHBondContact O-CB 3.47Å; V172-E176 PolarHBondContact O-N 2.93Å; V172-Y177 HydrophobicContact CG1-CD2 4.13Å; V172-Y177 HydrophobicContact CG1-CE2 4.01Å; V172-Y177 PolarHBondContact O-N 3.2Å; V172-A325 HydrophobicContact CG2-CB 3.97Å; V172-F328 HydrophobicContact CG1-CB 3.89Å; V172-R329 HydrophobicContact CG1-CG 4.15Å; V172-R329 HydrophobicContact CG2-CG 4.19Å; V172-R329 VanDerWaalsContact CG2-CZ 3.5Å; V172-R329 VanDerWaalsContact CG2-NH2 3.29Å
173	L	98.2	Very high	97	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-62.6	-46.8	179.8	-66.2	173.1	0	0	0	111.8	F162 L169 F170 Y177 K178 S179 F328 V342 I369	F162-L173 HydrophobicContact CE1-CD1 4.42Å; F162-L173 HydrophobicContact CZ-CD1 3.92Å; L169-L173 HydrophobicContact CD1-CD1 3.96Å; L169-L173 HydrophobicContact CD1-CD2 4.42Å; L169-L173 HydrophobicContact CD1-CG 3.93Å; L169-L173 HydrophobicContact CD2-CD1 4.49Å; L169-L173 HydrophobicContact CG-CD1 3.88Å; L169-L173 HydrophobicContact CG-CG 4.29Å; L169-L173 WeakPolarHBondContact O-CG 3.23Å; L169-L173 PolarHBondContact O-N 2.96Å; F170-L173 PolarHBondContact O-N 3.25Å; L173-Y177 HydrophobicContact CD2-CD2 4.35Å; L173-Y177 CarbonylContact O-C 3.53Å; L173-Y177 WeakPolarHBondContact O-CA 3.44Å; L173-Y177 VanDerWaalsContact O-CB 3.25Å; L173-Y177 WeakPolarHBondContact O-CB 3.15Å; L173-Y177 PolarHBondContact O-N 3.24Å; L173-K178 PolarHBondContact O-N 2.92Å; L173-K178 VanDerWaalsContact O-N 3.09Å; L173-S179 WeakPolarHBondContact CB-OG 3.38Å; L173-S179 WeakPolarHBondContact O-CB 3.36Å; L173-S179 PolarHBondContact O-N 3.5Å; L173-S179 PolarHBondContact O-OG 3.49Å; L173-S179 VanDerWaalsContact O-OG 3.13Å; L173-F328 HydrophobicContact CD2-CD1 3.79Å; L173-F328 HydrophobicContact CD2-CE1 3.89Å; L173-F328 HydrophobicContact CD2-CG 4.24Å; L173-F328 HydrophobicContact CD2-CZ 4.41Å; L173-V342 HydrophobicContact CD1-CB 4.21Å; L173-V342 HydrophobicContact CD1-CG1 4.22Å; L173-V342 HydrophobicContact CD1-CG2 3.96Å; L173-V342 HydrophobicContact CD2-CG2 4Å; L173-I369 HydrophobicContact CD1-CD1 3.91Å
174	S	97.2	Very high	96.8	Very high	43 Å²	43	34.7 Å²	34.7	30%	0.301	18%	0.179	S	C	.	.	H	α-helix	trans	-70.2	-45.7	-179.7	56.7	0	0	0	0	113	F170 N171 K178	F170-S174 WeakPolarHBondContact O-CB 3.28Å; F170-S174 PolarHBondContact O-N 2.79Å; F170-S174 PolarHBondContact O-OG 3.39Å; N171-S174 WeakPolarHBondContact CA-OG 3.25Å; N171-S174 PolarHBondContact O-OG 2.96Å; S174-K178 WeakPolarHBondContact O-CA 3.42Å; S174-K178 WeakPolarHBondContact O-CD 3.25Å; S174-K178 PolarHBondContact O-N 3.35Å
175	S	96.9	Very high	96.9	Very high	46 Å²	46	34.6 Å²	34.6	32%	0.322	18%	0.179	S	C	.	.	H	α-helix	trans	-84	-41.6	-172.5	68.5	0	0	0	0	113.3	N171 K178	N171-S175 VanDerWaalsContact O-CB 3.22Å; N171-S175 WeakPolarHBondContact O-CB 3.45Å; N171-S175 PolarHBondContact O-N 3.39Å; N171-S175 PolarHBondContact O-OG 3.41Å; S175-K178 VanDerWaalsContact O-CE 3.25Å; S175-K178 WeakPolarHBondContact O-CE 3.32Å; S175-K178 PolarHBondContact O-NZ 2.76Å
176	E	95.8	Very high	96.9	Very high	53 Å²	53	34.6 Å²	34.6	25%	0.248	18%	0.179	C	C	.	.	H	α-helix	trans	-96.4	-35.2	-172.5	-54.3	-174.8	-144.1	0	0	112.9	V172 R329	V172-E176 WeakPolarHBondContact O-CA 3.41Å; V172-E176 VanDerWaalsContact O-CB 3.28Å; V172-E176 WeakPolarHBondContact O-CB 3.47Å; V172-E176 PolarHBondContact O-N 2.93Å; E176-R329 IonicContact OE1-NE 2.62Å; E176-R329 PolarHBondContact OE1-NE 2.87Å
177	Y	96.3	Very high	97	Very high	20 Å²	20	34.6 Å²	34.6	8%	0.078	18%	0.179	C	C	.	.	S	Bend	trans	-97.3	-11	178.3	-72.5	-89.9	0	0	0	113.8	V172 L173 S179 F328 R332 L340	V172-Y177 HydrophobicContact CG1-CD2 4.13Å; V172-Y177 HydrophobicContact CG1-CE2 4.01Å; V172-Y177 PolarHBondContact O-N 3.2Å; L173-Y177 HydrophobicContact CD2-CD2 4.35Å; L173-Y177 CarbonylContact O-C 3.53Å; L173-Y177 WeakPolarHBondContact O-CA 3.44Å; L173-Y177 VanDerWaalsContact O-CB 3.25Å; L173-Y177 WeakPolarHBondContact O-CB 3.15Å; L173-Y177 PolarHBondContact O-N 3.24Å; Y177-S179 PolarHBondContact O-N 3.48Å; Y177-F328 HydrophobicContact CE2-CB 4.05Å; Y177-F328 HydrophobicContact CE2-CD1 4.13Å; Y177-F328 WeakPolarHBondContact CE2-O 3.22Å; Y177-F328 PolarHBondContact OH-O 3.21Å; Y177-R332 WeakPolarHBondContact OH-CA 3.32Å; Y177-R332 WeakPolarHBondContact OH-CB 3.41Å; Y177-R332 PolarHBondContact OH-N 2.8Å; Y177-L340 HydrophobicContact CD1-CD1 3.49Å; Y177-L340 VanDerWaalsContact CD1-CD1 3.49Å; Y177-L340 HydrophobicContact CE1-CD1 3.25Å
178	K	96.4	Very high	96.9	Very high	146 Å²	146	32.3 Å²	32.3	64%	0.635	16%	0.164	S	C	*	.			trans	50.7	40.8	-174.9	-55.4	-51.9	-170.6	-165.1	0	111.6	L173 S174 S175	L173-K178 PolarHBondContact O-N 2.92Å; L173-K178 VanDerWaalsContact O-N 3.09Å; S174-K178 WeakPolarHBondContact O-CA 3.42Å; S174-K178 WeakPolarHBondContact O-CD 3.25Å; S174-K178 PolarHBondContact O-N 3.35Å; S175-K178 VanDerWaalsContact O-CE 3.25Å; S175-K178 WeakPolarHBondContact O-CE 3.32Å; S175-K178 PolarHBondContact O-NZ 2.76Å
179	S	97.9	Very high	96.7	Very high	18 Å²	18	27.7 Å²	27.7	13%	0.126	14%	0.144	C	C	.	.			trans	-68.8	150.6	-174.8	70.3	0	0	0	0	112.3	L173 Y177 I369 V370	L173-S179 WeakPolarHBondContact CB-OG 3.38Å; L173-S179 WeakPolarHBondContact O-CB 3.36Å; L173-S179 PolarHBondContact O-N 3.5Å; L173-S179 PolarHBondContact O-OG 3.49Å; L173-S179 VanDerWaalsContact O-OG 3.13Å; Y177-S179 PolarHBondContact O-N 3.48Å; S179-I369 VanDerWaalsContact CB-CG2 3.4Å; S179-I369 WeakPolarHBondContact OG-CG2 3.32Å; S179-V370 CarbonylContact C-O 3.42Å; S179-V370 WeakPolarHBondContact CA-O 3.44Å
180	I	98.2	Very high	96.4	Very high	22 Å²	22	27.8 Å²	27.8	11%	0.113	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	117.5	177.1	-59.3	163.6	0	0	0	108.4	F182 I369 V370 V384 L387 E388 A391	I180-F182 HydrophobicContact CG2-CE2 4.3Å; I180-I369 CarbonylContact O-C 3.58Å; I180-I369 WeakPolarHBondContact O-CA 3.42Å; I180-V370 PolarHBondContact N-O 3.25Å; I180-V370 PolarHBondContact O-N 2.84Å; I180-V384 HydrophobicContact CD1-CG1 4.28Å; I180-L387 HydrophobicContact CD1-CB 3.48Å; I180-L387 VanDerWaalsContact CD1-CB 3.48Å; I180-L387 HydrophobicContact CD1-CD1 4.17Å; I180-E388 HydrophobicContact CD1-CG 3.65Å; I180-E388 HydrophobicContact CG1-CG 4.01Å; I180-E388 HydrophobicContact CG2-CG 4.47Å; I180-A391 HydrophobicContact CG2-CB 3.54Å
181	M	97.7	Very high	96.1	Very high	24 Å²	24	27 Å²	27	12%	0.118	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	131.3	173.4	-177	179	-79.8	0	0	109.6	R159 F162 F170 V367 I369	R159-M181 HydrophobicContact CG-CG 4.29Å; R159-M181 HydrophobicContact CG-SD 3.61Å; F162-M181 HydrophobicContact CD1-CE 3.78Å; F162-M181 HydrophobicContact CE1-CE 4.15Å; F170-M181 HydrophobicContact CD2-CE 3.64Å; F170-M181 HydrophobicContact CE2-CE 3.39Å; F170-M181 HydrophobicContact CE2-SD 4.27Å; F170-M181 HydrophobicContact CZ-CE 4.3Å; M181-V367 HydrophobicContact CE-CG2 4.2Å; M181-I369 HydrophobicContact CB-CG1 4.02Å; M181-I369 HydrophobicContact CE-CD1 3.58Å; M181-I369 HydrophobicContact CE-CG1 3.9Å; M181-I369 HydrophobicContact CG-CG1 3.99Å
182	F	97	Very high	95.9	Very high	1 Å²	1	24.2 Å²	24.2	0%	0.004	13%	0.13	C	C	.	.			trans	-86.7	119.6	177.5	-76.6	-121.5	0	0	0	109.5	I180 F185 F368 V370 L387 N390 A391 A395 L436	I180-F182 HydrophobicContact CG2-CE2 4.3Å; F182-F185 HydrophobicContact CB-CB 4Å; F182-F368 HydrophobicContact CB-CB 4.42Å; F182-F368 HydrophobicContact CB-CD1 3.81Å; F182-F368 HydrophobicContact CD1-CD1 4.1Å; F182-F368 HydrophobicContact CD1-CE1 4.24Å; F182-F368 AromaticContact CD2-CD1 3.53Å; F182-F368 HydrophobicContact CD2-CD1 3.53Å; F182-F368 AromaticContact CD2-CE1 3.77Å; F182-F368 HydrophobicContact CD2-CE1 3.77Å; F182-F368 HydrophobicContact CE1-CE1 4.38Å; F182-F368 HydrophobicContact CE2-CD1 4.15Å; F182-F368 AromaticContact CE2-CE1 3.9Å; F182-F368 HydrophobicContact CE2-CE1 3.9Å; F182-F368 AromaticContact CG-CD1 3.53Å; F182-F368 HydrophobicContact CG-CD1 3.53Å; F182-F368 AromaticContact CG-CE1 3.98Å; F182-F368 HydrophobicContact CG-CE1 3.98Å; F182-F368 HydrophobicContact CZ-CE1 4.22Å; F182-F368 PolarHBondContact N-O 2.94Å; F182-V370 HydrophobicContact CD2-CG2 4.21Å; F182-V370 HydrophobicContact CE2-CB 4.27Å; F182-V370 HydrophobicContact CE2-CG2 3.6Å; F182-V370 HydrophobicContact CZ-CG2 4.34Å; F182-L387 HydrophobicContact CZ-CD2 4.12Å; F182-N390 HydrophobicContact CE1-CB 4.16Å; F182-A391 CarbonylContact C-O 3.49Å; F182-A391 HydrophobicContact CD1-CB 4.29Å; F182-A391 HydrophobicContact CD2-CB 4.06Å; F182-A391 HydrophobicContact CE1-CB 4.44Å; F182-A391 HydrophobicContact CE2-CB 4.24Å; F182-A391 HydrophobicContact CG-CB 4.06Å; F182-A391 HydrophobicContact CZ-CB 4.41Å; F182-A395 HydrophobicContact CD1-CB 4.1Å; F182-A395 HydrophobicContact CE1-CB 4.49Å; F182-L436 HydrophobicContact CE1-CD1 3.84Å; F182-L436 HydrophobicContact CE1-CD2 3.94Å; F182-L436 HydrophobicContact CE1-CG 4.33Å; F182-L436 HydrophobicContact CZ-CB 4.39Å; F182-L436 HydrophobicContact CZ-CD1 3.9Å
183	D	92.9	Very high	95.7	Very high	41 Å²	41	27.6 Å²	27.6	22%	0.219	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-29.4	-175.8	-63.8	-32.7	0	0	0	112.5	R159 A391	R159-D183 IonicContact CZ-OD1 3.67Å; R159-D183 IonicContact NE-OD1 3.32Å; R159-D183 PolarHBondContact NE-OD1 3.08Å; R159-D183 IonicContact NH2-OD1 3.55Å; R159-D183 PolarHBondContact NH2-OD1 3.33Å; D183-A391 PolarHBondContact N-O 3.46Å
184	S	91	Very high	95.5	Very high	8 Å²	8	27.9 Å²	27.9	6%	0.056	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	23.1	-172	-56.3	0	0	0	0	112.1	A58 K392 L393 L394 A395	A58-S184 VanDerWaalsContact CB-OG 3.24Å; A58-S184 WeakPolarHBondContact CB-OG 3.44Å; S184-K392 PolarHBondContact OG-O 2.9Å; S184-K392 VanDerWaalsContact OG-O 3.09Å; S184-L393 WeakPolarHBondContact CB-O 3.46Å; S184-L394 WeakPolarHBondContact O-CD1 3.36Å; S184-A395 PolarHBondContact O-N 3.11Å
185	F	97.1	Very high	95.5	Very high	1 Å²	1	25.8 Å²	25.8	0%	0.004	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-73.6	127.9	175.4	-164.2	-91.9	0	0	0	109.9	F182 T365 P366 F368 A395 T396 H397	F182-F185 HydrophobicContact CB-CB 4Å; F185-T365 WeakPolarHBondContact O-CA 3.49Å; F185-P366 HydrophobicContact CD1-CG 3.98Å; F185-P366 HydrophobicContact CE1-CG 4.24Å; F185-F368 HydrophobicContact CB-CB 3.72Å; F185-F368 HydrophobicContact CB-CG 4.41Å; F185-F368 HydrophobicContact CD1-CB 3.62Å; F185-F368 HydrophobicContact CD1-CG 4.15Å; F185-F368 HydrophobicContact CD2-CB 3.66Å; F185-F368 AromaticContact CD2-CD1 3.57Å; F185-F368 HydrophobicContact CD2-CD1 3.57Å; F185-F368 HydrophobicContact CD2-CD2 4.01Å; F185-F368 HydrophobicContact CD2-CE1 4.19Å; F185-F368 AromaticContact CD2-CG 3.45Å; F185-F368 HydrophobicContact CD2-CG 3.45Å; F185-F368 VanDerWaalsContact CD2-CG 3.45Å; F185-F368 HydrophobicContact CE1-CB 4.1Å; F185-F368 HydrophobicContact CE1-CD2 4.17Å; F185-F368 HydrophobicContact CE1-CG 4.27Å; F185-F368 HydrophobicContact CE2-CB 4.15Å; F185-F368 AromaticContact CE2-CD1 3.89Å; F185-F368 HydrophobicContact CE2-CD1 3.89Å; F185-F368 AromaticContact CE2-CD2 3.64Å; F185-F368 HydrophobicContact CE2-CD2 3.64Å; F185-F368 HydrophobicContact CE2-CE1 4.18Å; F185-F368 AromaticContact CE2-CE2 3.99Å; F185-F368 HydrophobicContact CE2-CE2 3.99Å; F185-F368 AromaticContact CE2-CG 3.6Å; F185-F368 HydrophobicContact CE2-CG 3.6Å; F185-F368 HydrophobicContact CE2-CZ 4.23Å; F185-F368 HydrophobicContact CG-CB 3.38Å; F185-F368 HydrophobicContact CG-CD1 4.18Å; F185-F368 HydrophobicContact CG-CD2 4.43Å; F185-F368 AromaticContact CG-CG 3.75Å; F185-F368 HydrophobicContact CG-CG 3.75Å; F185-F368 HydrophobicContact CZ-CB 4.35Å; F185-F368 AromaticContact CZ-CD2 3.73Å; F185-F368 HydrophobicContact CZ-CD2 3.73Å; F185-F368 HydrophobicContact CZ-CE2 4.25Å; F185-F368 HydrophobicContact CZ-CG 4.01Å; F185-A395 CarbonylContact C-O 3.6Å; F185-A395 WeakPolarHBondContact CA-O 3.35Å; F185-A395 HydrophobicContact CD2-CB 3.81Å; F185-A395 HydrophobicContact CE2-CB 4.37Å; F185-T396 VanDerWaalsContact CE2-C 3.45Å; F185-T396 WeakPolarHBondContact CE2-O 3.28Å; F185-H397 AromaticContact CE1-CE1 3.69Å; F185-H397 AromaticContact CE1-NE2 3.8Å
186	N	96.8	Very high	95.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.12	C	C	.	.			trans	-130.6	140.6	-170	-160.1	84	0	0	0	111.2	N364 L394 A395 I451 Y455 T457	N186-N364 WeakPolarHBondContact CA-O 3.38Å; N186-N364 PolarHBondContact OD1-O 2.89Å; N186-N364 VanDerWaalsContact OD1-O 3.13Å; N186-L394 HydrophobicContact CB-CD1 3.94Å; N186-A395 PolarHBondContact N-O 3.49Å; N186-I451 HydrophobicContact CB-CD1 3.84Å; N186-I451 VanDerWaalsContact ND2-CG2 3.32Å; N186-I451 WeakPolarHBondContact ND2-CG2 3.24Å; N186-Y455 PolarHBondContact ND2-O 2.7Å; N186-Y455 PolarHBondContact OD1-O 3.45Å; N186-T457 VanDerWaalsContact OD1-CG2 3.25Å; N186-T457 WeakPolarHBondContact OD1-CG2 3.41Å; N186-T457 PolarHBondContact OD1-OG1 3.43Å
187	K	97.5	Very high	95.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.111	C	C	.	.			trans	-67.6	159.7	175.8	81.7	177.4	-173.8	162.1	0	111.3	G189 D190 N195 H346 E363 N364 P366 Y455	K187-G189 VanDerWaalsContact CD-O 3.26Å; K187-G189 WeakPolarHBondContact CD-O 3.39Å; K187-G189 WeakPolarHBondContact CE-O 3.24Å; K187-D190 PolarHBondContact NZ-O 3.15Å; K187-N195 WeakPolarHBondContact CB-OD1 3.09Å; K187-H346 HydrophobicContact CD-CB 3.82Å; K187-E363 WeakPolarHBondContact CD-O 3.25Å; K187-E363 IonicContact NZ-OE1 3.03Å; K187-E363 PolarHBondContact NZ-OE1 3.46Å; K187-N364 WeakPolarHBondContact CE-OD1 3.39Å; K187-N364 PolarHBondContact N-O 3.4Å; K187-P366 HydrophobicContact CB-CG 4.28Å; K187-Y455 VanDerWaalsContact CE-CD1 3.47Å; K187-Y455 HydrophobicContact CG-CG 4.38Å
188	V	96.3	Very high	95.5	Very high	7 Å²	7	21 Å²	21	4%	0.042	11%	0.107	C	C	.	.			trans	-122.3	-4.4	-179.5	-64	0	0	0	0	113.4	N195 A198 T396 H397 Y398 I451 P452	V188-N195 PolarHBondContact N-OD1 3.13Å; V188-A198 HydrophobicContact CG2-CB 3.56Å; V188-T396 HydrophobicContact CG1-CG2 3.78Å; V188-H397 HydrophobicContact CG2-CB 4.26Å; V188-Y398 HydrophobicContact CB-CD2 4.44Å; V188-Y398 HydrophobicContact CB-CE2 3.81Å; V188-Y398 HydrophobicContact CG1-CD2 3.9Å; V188-Y398 HydrophobicContact CG1-CE2 3.72Å; V188-Y398 HydrophobicContact CG2-CD2 4.5Å; V188-Y398 HydrophobicContact CG2-CE2 3.94Å; V188-I451 HydrophobicContact CG1-CG1 4.24Å; V188-P452 WeakPolarHBondContact O-CD 3.26Å; V188-P452 WeakPolarHBondContact O-CG 3.23Å
189	G	94.6	Very high	95.6	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.077	C	C	.	.	S	Bend	trans	-147.8	171.3	177.4	0	0	0	0	0	113.1	K187 N195 E206	K187-G189 VanDerWaalsContact CD-O 3.26Å; K187-G189 WeakPolarHBondContact CD-O 3.39Å; K187-G189 WeakPolarHBondContact CE-O 3.24Å; G189-N195 PolarHBondContact N-OD1 2.86Å; G189-N195 PolarHBondContact O-ND2 3.21Å; G189-E206 VanDerWaalsContact CA-OE2 3.27Å; G189-E206 WeakPolarHBondContact CA-OE2 3.42Å
190	D	92.3	Very high	95.6	Very high	2 Å²	2	13.6 Å²	13.6	1%	0.011	7%	0.073	C	C	.	.	S	Bend	trans	-60.2	-56.5	-173.5	-167	28.2	0	0	0	111.1	K187 E206 R349 Y455 K590	K187-D190 PolarHBondContact NZ-O 3.15Å; D190-E206 PolarHBondContact N-OE2 3.16Å; D190-E206 VanDerWaalsContact N-OE2 3.08Å; D190-R349 PolarHBondContact O-NH1 2.88Å; D190-R349 IonicContact OD1-CZ 2.7Å; D190-R349 IonicContact OD1-NH1 3.79Å; D190-R349 PolarHBondContact OD1-NH1 3.37Å; D190-R349 IonicContact OD1-NH2 2.78Å; D190-R349 IonicContact OD2-CZ 3.33Å; D190-R349 IonicContact OD2-NH1 2.9Å; D190-R349 PolarHBondContact OD2-NH1 3.42Å; D190-R349 VanDerWaalsContact OD2-NH1 3.1Å; D190-R349 IonicContact OD2-NH2 2.6Å; D190-R349 PolarHBondContact OD2-NH2 3.27Å; D190-Y455 VanDerWaalsContact CA-OH 3.32Å; D190-Y455 WeakPolarHBondContact CA-OH 3.28Å; D190-Y455 VanDerWaalsContact CB-OH 3.27Å; D190-Y455 WeakPolarHBondContact CB-OH 3.23Å; D190-Y455 PolarHBondContact N-OH 3.28Å; D190-K590 IonicContact OD2-NZ 3.39Å; D190-K590 PolarHBondContact OD2-NZ 3.44Å
191	N	92.1	Very high	95.6	Very high	49 Å²	49	12.6 Å²	12.6	26%	0.262	7%	0.068	S	C	.	.	S	Bend	trans	-127.9	-171.2	-168.1	65.1	67.5	0	0	0	113.5	F193 P194 N195 H346 R349	N191-F193 PolarHBondContact O-N 2.78Å; N191-F193 WeakPolarHBondContact OD1-CB 3.39Å; N191-F193 PolarHBondContact OD1-N 3.27Å; N191-P194 VanDerWaalsContact O-CD 3.22Å; N191-P194 WeakPolarHBondContact O-CD 3.24Å; N191-P194 WeakPolarHBondContact O-CG 3.22Å; N191-P194 WeakPolarHBondContact OD1-CD 3.29Å; N191-N195 PolarHBondContact O-ND2 3.1Å; N191-H346 VanDerWaalsContact CA-CD2 3.46Å; N191-H346 WeakPolarHBondContact CA-CD2 3.44Å; N191-R349 VanDerWaalsContact CB-CZ 3.48Å
192	S	93.9	Very high	95.6	Very high	27 Å²	27	11.9 Å²	11.9	19%	0.189	7%	0.067	C	C	.	.	H	α-helix	trans	-53.7	-38.5	-178.2	-43.3	0	0	0	0	114.2	D155 G196 D345 H346	D155-S192 PolarHBondContact OD2-OG 3Å; S192-G196 WeakPolarHBondContact O-CA 3.15Å; S192-G196 PolarHBondContact O-N 3.01Å; S192-D345 WeakPolarHBondContact CA-OD2 3.27Å; S192-D345 WeakPolarHBondContact CB-OD2 3.4Å; S192-D345 PolarHBondContact OG-OD2 3.1Å; S192-H346 PolarHBondContact N-CD2 2.58Å; S192-H346 VanDerWaalsContact N-CD2 3.34Å; S192-H346 PolarHBondContact N-NE2 2.73Å; S192-H346 VanDerWaalsContact N-NE2 3.17Å; S192-H346 PolarHBondContact OG-NE2 3.31Å
193	F	92.7	Very high	95.6	Very high	70 Å²	70	16.6 Å²	16.6	31%	0.307	8%	0.084	S	C	.	.	H	α-helix	trans	-64	-62.1	-175.5	-174.8	-112.4	0	0	0	113	N191 N195 G196 I197 V205 Y220 W223	N191-F193 PolarHBondContact O-N 2.78Å; N191-F193 WeakPolarHBondContact OD1-CB 3.39Å; N191-F193 PolarHBondContact OD1-N 3.27Å; F193-N195 VanDerWaalsContact C-N 3.34Å; F193-N195 PolarHBondContact O-N 3.4Å; F193-G196 PolarHBondContact O-N 3.06Å; F193-I197 HydrophobicContact CD2-CG1 4.02Å; F193-I197 HydrophobicContact CE1-CG1 4.45Å; F193-I197 HydrophobicContact CE2-CD1 4.04Å; F193-I197 HydrophobicContact CE2-CG1 3.75Å; F193-I197 HydrophobicContact CG-CG1 4.48Å; F193-I197 HydrophobicContact CZ-CG1 4Å; F193-I197 WeakPolarHBondContact O-CB 3.26Å; F193-I197 VanDerWaalsContact O-CG1 3.26Å; F193-I197 WeakPolarHBondContact O-CG1 3.36Å; F193-I197 PolarHBondContact O-N 3.13Å; F193-V205 HydrophobicContact CD1-CG2 4.06Å; F193-V205 HydrophobicContact CE1-CB 4.27Å; F193-V205 HydrophobicContact CE1-CG1 4.34Å; F193-V205 HydrophobicContact CE1-CG2 3.97Å; F193-Y220 AromaticContact CE2-CE1 3.9Å; F193-Y220 HydrophobicContact CE2-CE1 3.9Å; F193-Y220 HydrophobicContact CE2-CE2 4.35Å; F193-Y220 AromaticContact CE2-CZ 3.58Å; F193-Y220 WeakPolarHBondContact CE2-OH 3.15Å; F193-Y220 AromaticContact CZ-CE1 3.94Å; F193-Y220 HydrophobicContact CZ-CE1 3.94Å; F193-W223 HydrophobicContact CE2-CZ3 4.45Å; F193-W223 AromaticContact CZ-CH2 3.82Å; F193-W223 HydrophobicContact CZ-CH2 3.82Å; F193-W223 HydrophobicContact CZ-CZ3 4.06Å
194	P	94.4	Very high	95.6	Very high	7 Å²	7	17.6 Å²	17.6	5%	0.045	9%	0.085	C	C	.	.	H	α-helix	trans	-61.4	-37.8	-178.7	27.5	-38.8	0	0	0	113.4	N191 I197 A198 V205 E206	N191-P194 VanDerWaalsContact O-CD 3.22Å; N191-P194 WeakPolarHBondContact O-CD 3.24Å; N191-P194 WeakPolarHBondContact O-CG 3.22Å; N191-P194 WeakPolarHBondContact OD1-CD 3.29Å; P194-I197 PolarHBondContact O-N 2.84Å; P194-A198 VanDerWaalsContact O-CB 3.3Å; P194-A198 WeakPolarHBondContact O-CB 3.44Å; P194-A198 PolarHBondContact O-N 2.73Å; P194-V205 HydrophobicContact CB-CG2 3.79Å; P194-E206 HydrophobicContact CB-CG 4.03Å; P194-E206 HydrophobicContact CG-CG 4.38Å; P194-E206 WeakPolarHBondContact CG-OE1 3.48Å
195	N	97.4	Very high	95.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-69.1	-42.3	178.2	-67.7	-61.9	0	0	0	111.7	K187 V188 G189 N191 F193 A198 M199 D345	K187-N195 WeakPolarHBondContact CB-OD1 3.09Å; V188-N195 PolarHBondContact N-OD1 3.13Å; G189-N195 PolarHBondContact N-OD1 2.86Å; G189-N195 PolarHBondContact O-ND2 3.21Å; N191-N195 PolarHBondContact O-ND2 3.1Å; F193-N195 VanDerWaalsContact C-N 3.34Å; F193-N195 PolarHBondContact O-N 3.4Å; N195-A198 PolarHBondContact O-N 3.42Å; N195-M199 PolarHBondContact O-N 2.85Å; N195-M199 VanDerWaalsContact O-N 3.13Å; N195-D345 HydrophobicContact CB-CB 4.18Å; N195-D345 WeakPolarHBondContact CB-O 3.04Å; N195-D345 VanDerWaalsContact CG-O 3.24Å; N195-D345 PolarHBondContact ND2-O 2.99Å
196	G	96.6	Very high	94.9	Very high	5 Å²	5	19.8 Å²	19.8	5%	0.052	10%	0.095	C	C	.	.	H	α-helix	trans	-61.3	-45.5	173.7	0	0	0	0	0	112	S192 F193 M199 L200	S192-G196 WeakPolarHBondContact O-CA 3.15Å; S192-G196 PolarHBondContact O-N 3.01Å; F193-G196 PolarHBondContact O-N 3.06Å; G196-M199 PolarHBondContact O-N 2.78Å; G196-L200 WeakPolarHBondContact O-CB 3.24Å; G196-L200 WeakPolarHBondContact O-CG 3.39Å; G196-L200 PolarHBondContact O-N 3Å
197	I	95.7	Very high	94	Very high	12 Å²	12	23.2 Å²	23.2	6%	0.062	13%	0.131	C	C	.	.	H	α-helix	trans	-66.7	-38.3	178.3	-64.4	-51.7	0	0	0	112.2	F193 P194 M199 L200 T201 V205 L211 W223	F193-I197 HydrophobicContact CD2-CG1 4.02Å; F193-I197 HydrophobicContact CE1-CG1 4.45Å; F193-I197 HydrophobicContact CE2-CD1 4.04Å; F193-I197 HydrophobicContact CE2-CG1 3.75Å; F193-I197 HydrophobicContact CG-CG1 4.48Å; F193-I197 HydrophobicContact CZ-CG1 4Å; F193-I197 WeakPolarHBondContact O-CB 3.26Å; F193-I197 VanDerWaalsContact O-CG1 3.26Å; F193-I197 WeakPolarHBondContact O-CG1 3.36Å; F193-I197 PolarHBondContact O-N 3.13Å; P194-I197 PolarHBondContact O-N 2.84Å; I197-M199 PolarHBondContact O-N 2.88Å; I197-L200 PolarHBondContact O-N 3.32Å; I197-T201 HydrophobicContact CG2-CG2 4.27Å; I197-T201 WeakPolarHBondContact CG2-OG1 3.22Å; I197-T201 WeakPolarHBondContact O-CB 3.42Å; I197-T201 PolarHBondContact O-N 2.79Å; I197-T201 PolarHBondContact O-OG1 3.3Å; I197-V205 HydrophobicContact CB-CG1 4.49Å; I197-V205 HydrophobicContact CG2-CG1 3.83Å; I197-L211 HydrophobicContact CG2-CD1 3.89Å; I197-W223 HydrophobicContact CD1-CE3 3.86Å; I197-W223 HydrophobicContact CD1-CZ3 3.48Å; I197-W223 VanDerWaalsContact CD1-CZ3 3.48Å; I197-W223 HydrophobicContact CG1-CZ3 3.84Å; I197-W223 HydrophobicContact CG2-CZ3 4.07Å
198	A	97.8	Very high	93.1	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-57.9	-46.7	173.5	0	0	0	0	0	111.9	V188 P194 N195 G202 H397 Y398	V188-A198 HydrophobicContact CG2-CB 3.56Å; P194-A198 VanDerWaalsContact O-CB 3.3Å; P194-A198 WeakPolarHBondContact O-CB 3.44Å; P194-A198 PolarHBondContact O-N 2.73Å; N195-A198 PolarHBondContact O-N 3.42Å; A198-G202 WeakPolarHBondContact O-CA 3.29Å; A198-G202 PolarHBondContact O-N 2.92Å; A198-H397 HydrophobicContact CB-CB 3.83Å; A198-Y398 HydrophobicContact CB-CD1 3.69Å; A198-Y398 HydrophobicContact CB-CE1 3.31Å; A198-Y398 HydrophobicContact CB-CG 4.44Å
199	M	97.9	Very high	92.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-65.6	-40.4	175.1	165.7	178.5	61	0	0	112.7	L151 L153 N195 G196 I197 L303 W305 L343 H397 L400 H401	L151-M199 HydrophobicContact CD2-CG 4.36Å; L151-M199 HydrophobicContact CD2-SD 3.47Å; L151-M199 WeakPolarHBondContact CD2-SD 3.32Å; L153-M199 HydrophobicContact CD1-CE 3.76Å; N195-M199 PolarHBondContact O-N 2.85Å; N195-M199 VanDerWaalsContact O-N 3.13Å; G196-M199 PolarHBondContact O-N 2.78Å; I197-M199 PolarHBondContact O-N 2.88Å; M199-L303 HydrophobicContact CE-CD1 4.5Å; M199-W305 HydrophobicContact CE-CZ3 4.12Å; M199-L343 HydrophobicContact SD-CD1 3.7Å; M199-H397 WeakPolarHBondContact CA-O 3.39Å; M199-H397 HydrophobicContact CB-CB 4.01Å; M199-L400 HydrophobicContact CB-CD2 4.3Å; M199-L400 HydrophobicContact CG-CD2 3.53Å; M199-L400 HydrophobicContact CG-CG 4Å; M199-L400 HydrophobicContact SD-CD2 3.23Å; M199-L400 WeakPolarHBondContact SD-CD2 3.23Å; M199-L400 HydrophobicContact SD-CG 4.24Å; M199-H401 VanDerWaalsContact O-CB 3.26Å; M199-H401 WeakPolarHBondContact O-CB 3.36Å; M199-H401 PolarHBondContact O-ND1 2.92Å
200	L	97.8	Very high	92.4	Very high	10 Å²	10	35.4 Å²	35.4	5%	0.052	19%	0.192	C	C	.	.	H	α-helix	trans	-82.7	-28.9	-171	-76.3	179.7	0	0	0	113.5	G196 I197 I225 V226 W227 L303 H401	G196-L200 WeakPolarHBondContact O-CB 3.24Å; G196-L200 WeakPolarHBondContact O-CG 3.39Å; G196-L200 PolarHBondContact O-N 3Å; I197-L200 PolarHBondContact O-N 3.32Å; L200-I225 HydrophobicContact CB-CG2 3.94Å; L200-I225 HydrophobicContact CD2-CG2 4.05Å; L200-I225 HydrophobicContact CG-CG2 4.4Å; L200-I225 CarbonylContact O-C 3.59Å; L200-I225 WeakPolarHBondContact O-CA 3.48Å; L200-V226 HydrophobicContact CD2-CG1 4.17Å; L200-V226 WeakPolarHBondContact O-CB 3.12Å; L200-V226 PolarHBondContact O-N 3.36Å; L200-W227 HydrophobicContact CD1-CH2 4.03Å; L200-W227 HydrophobicContact CD1-CZ3 3.62Å; L200-W227 HydrophobicContact CD2-CE3 3.69Å; L200-W227 HydrophobicContact CD2-CZ3 3.44Å; L200-W227 VanDerWaalsContact CD2-CZ3 3.44Å; L200-W227 HydrophobicContact CG-CZ3 4.13Å; L200-L303 HydrophobicContact CD1-CD2 4.22Å; L200-L303 HydrophobicContact CD2-CD2 3.85Å; L200-L303 HydrophobicContact CG-CD2 4.45Å; L200-H401 PolarHBondContact O-CE1 3.23Å
201	T	98	Very high	92.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-129.1	-12.7	-172	69	0	0	0	0	113.6	I197 R203 L211 I225 H401	I197-T201 HydrophobicContact CG2-CG2 4.27Å; I197-T201 WeakPolarHBondContact CG2-OG1 3.22Å; I197-T201 WeakPolarHBondContact O-CB 3.42Å; I197-T201 PolarHBondContact O-N 2.79Å; I197-T201 PolarHBondContact O-OG1 3.3Å; T201-R203 PolarHBondContact O-N 3.05Å; T201-R203 PolarHBondContact O-NH1 2.69Å; T201-R203 WeakPolarHBondContact OG1-CB 3.41Å; T201-R203 PolarHBondContact OG1-N 2.83Å; T201-R203 VanDerWaalsContact OG1-N 3.13Å; T201-L211 HydrophobicContact CG2-CD1 4.2Å; T201-I225 HydrophobicContact CG2-CG1 3.96Å; T201-H401 PolarHBondContact O-NE2 3.04Å
202	G	97.5	Very high	92.1	Very high	9 Å²	9	36.2 Å²	36.2	9%	0.093	20%	0.199	C	C	.	.	S	Bend	trans	65.6	13.9	-170.8	0	0	0	0	0	113.7	A198 H401 R432	A198-G202 WeakPolarHBondContact O-CA 3.29Å; A198-G202 PolarHBondContact O-N 2.92Å; G202-H401 VanDerWaalsContact CA-CD2 3.47Å; G202-H401 WeakPolarHBondContact CA-CD2 3.24Å; G202-H401 PolarHBondContact N-CD2 2.72Å; G202-H401 PolarHBondContact N-ND1 2.8Å; G202-R432 WeakPolarHBondContact O-CD 3.33Å; G202-R432 PolarHBondContact O-NE 3.37Å
203	R	96.6	Very high	91.2	Very high	100 Å²	100	37.4 Å²	37.4	38%	0.377	21%	0.205	S	C	.	.			trans	-109.4	156.1	-176.2	-58.1	-56.3	-173	-85	5.8	112.9	T201 E210 L211	T201-R203 PolarHBondContact O-N 3.05Å; T201-R203 PolarHBondContact O-NH1 2.69Å; T201-R203 WeakPolarHBondContact OG1-CB 3.41Å; T201-R203 PolarHBondContact OG1-N 2.83Å; T201-R203 VanDerWaalsContact OG1-N 3.13Å; R203-E210 WeakPolarHBondContact CA-OE2 3.17Å; R203-E210 HydrophobicContact CB-CB 4.12Å; R203-E210 WeakPolarHBondContact CD-OE2 3.34Å; R203-L211 HydrophobicContact CB-CD1 3.68Å; R203-L211 HydrophobicContact CB-CG 3.88Å; R203-L211 HydrophobicContact CG-CD1 4.01Å; R203-L211 HydrophobicContact CG-CD2 4.42Å; R203-L211 HydrophobicContact CG-CG 4.06Å
204	R	93.6	Very high	90.6	Very high	63 Å²	63	37.8 Å²	37.8	24%	0.238	21%	0.211	C	C	.	.			trans	-89.9	141.2	171.6	-72.6	172.5	-66.3	-166.5	6.8	111.9	V208 E210 Y398 R432 E450	R204-V208 WeakPolarHBondContact CB-O 3.41Å; R204-E210 HydrophobicContact CB-CG 4.38Å; R204-E210 IonicContact CZ-OE1 3.29Å; R204-E210 PolarHBondContact N-OE2 3.1Å; R204-E210 IonicContact NE-OE1 2.96Å; R204-E210 PolarHBondContact NE-OE1 3.47Å; R204-E210 IonicContact NE-OE2 3.35Å; R204-E210 IonicContact NH2-OE1 2.61Å; R204-E210 PolarHBondContact NH2-OE1 2.87Å; R204-E210 PolarHBondContact O-N 3.4Å; R204-Y398 WeakPolarHBondContact CG-OH 3.48Å; R204-R432 VanDerWaalsContact CG-NH1 3.33Å; R204-R432 VanDerWaalsContact NE-NH1 3.18Å; R204-E450 IonicContact CZ-OE2 3.5Å; R204-E450 IonicContact NE-OE2 3.83Å; R204-E450 IonicContact NH1-OE2 2.91Å; R204-E450 PolarHBondContact NH1-OE2 3.4Å
205	V	89.6	Confident	90.1	Very high	10 Å²	10	38.9 Å²	38.9	6%	0.061	22%	0.215	C	C	.	.			trans	-120.4	-18.3	168.3	-67.6	0	0	0	0	112.5	F193 P194 I197 L211 T213 W223	F193-V205 HydrophobicContact CD1-CG2 4.06Å; F193-V205 HydrophobicContact CE1-CB 4.27Å; F193-V205 HydrophobicContact CE1-CG1 4.34Å; F193-V205 HydrophobicContact CE1-CG2 3.97Å; P194-V205 HydrophobicContact CB-CG2 3.79Å; I197-V205 HydrophobicContact CB-CG1 4.49Å; I197-V205 HydrophobicContact CG2-CG1 3.83Å; V205-L211 HydrophobicContact CG1-CB 4.17Å; V205-T213 HydrophobicContact CB-CG2 4.47Å; V205-T213 VanDerWaalsContact O-CG2 3.26Å; V205-T213 WeakPolarHBondContact O-CG2 3.49Å; V205-W223 HydrophobicContact CG1-CH2 4.27Å
206	E	83.8	Confident	89.2	Confident	45 Å²	45	46.8 Å²	46.8	21%	0.21	25%	0.245	C	C	.	.	S	Bend	trans	-101.4	142.7	172	-69.2	179.6	163.5	0	0	110	G189 D190 P194 V208	G189-E206 VanDerWaalsContact CA-OE2 3.27Å; G189-E206 WeakPolarHBondContact CA-OE2 3.42Å; D190-E206 PolarHBondContact N-OE2 3.16Å; D190-E206 VanDerWaalsContact N-OE2 3.08Å; P194-E206 HydrophobicContact CB-CG 4.03Å; P194-E206 HydrophobicContact CG-CG 4.38Å; P194-E206 WeakPolarHBondContact CG-OE1 3.48Å; E206-V208 PolarHBondContact O-N 3.19Å
207	G	77.8	Confident	88.5	Confident	72 Å²	72	54 Å²	54	74%	0.742	28%	0.282	S	S	*	.	S	Bend	trans	74.1	-85.2	-178.4	0	0	0	0	0	113
208	V	79.6	Confident	88.2	Confident	80 Å²	80	60.6 Å²	60.6	49%	0.485	31%	0.307	S	S	.	.	S	Bend	trans	-96.4	105.7	176.2	-177.3	0	0	0	0	108.4	R204 E206 E210	R204-V208 WeakPolarHBondContact CB-O 3.41Å; E206-V208 PolarHBondContact O-N 3.19Å; V208-E210 HydrophobicContact CG1-CG 4.31Å; V208-E210 PolarHBondContact O-N 3.16Å
209	Q	80.9	Confident	88	Confident	115 Å²	115	64.3 Å²	64.3	54%	0.537	32%	0.323	S	S	.	.			trans	-77.4	92.8	-176.9	-58.8	-174.1	2.2	0	0	110.6	L211 T213	Q209-L211 VanDerWaalsContact C-N 3.33Å; Q209-T213 HydrophobicContact CB-CG2 4.08Å; Q209-T213 HydrophobicContact CG-CG2 3.51Å; Q209-T213 PolarHBondContact NE2-OG1 3.39Å; Q209-T213 PolarHBondContact OE1-OG1 3.5Å
210	E	93.6	Very high	87.8	Confident	68 Å²	68	66.4 Å²	66.4	32%	0.318	33%	0.331	S	S	.	.	S	Bend	trans	-83.9	-16	176.1	-66.1	174.2	161.5	0	0	112.2	R203 R204 V208 R432	R203-E210 WeakPolarHBondContact CA-OE2 3.17Å; R203-E210 HydrophobicContact CB-CB 4.12Å; R203-E210 WeakPolarHBondContact CD-OE2 3.34Å; R204-E210 HydrophobicContact CB-CG 4.38Å; R204-E210 IonicContact CZ-OE1 3.29Å; R204-E210 PolarHBondContact N-OE2 3.1Å; R204-E210 IonicContact NE-OE1 2.96Å; R204-E210 PolarHBondContact NE-OE1 3.47Å; R204-E210 IonicContact NE-OE2 3.35Å; R204-E210 IonicContact NH2-OE1 2.61Å; R204-E210 PolarHBondContact NH2-OE1 2.87Å; R204-E210 PolarHBondContact O-N 3.4Å; V208-E210 HydrophobicContact CG1-CG 4.31Å; V208-E210 PolarHBondContact O-N 3.16Å; E210-R432 IonicContact OE1-CZ 3.47Å; E210-R432 IonicContact OE1-NH2 3.39Å; E210-R432 PolarHBondContact OE1-NH2 2.8Å; E210-R432 IonicContact OE2-CZ 3.49Å; E210-R432 IonicContact OE2-NH2 3.58Å
211	L	92.7	Very high	87.7	Confident	19 Å²	19	68 Å²	68	10%	0.099	34%	0.34	C	S	.	.	S	Bend	trans	-127	156.1	173.3	-65.7	173	0	0	0	109.6	I197 T201 R203 V205 Q209 T213 W223	I197-L211 HydrophobicContact CG2-CD1 3.89Å; T201-L211 HydrophobicContact CG2-CD1 4.2Å; R203-L211 HydrophobicContact CB-CD1 3.68Å; R203-L211 HydrophobicContact CB-CG 3.88Å; R203-L211 HydrophobicContact CG-CD1 4.01Å; R203-L211 HydrophobicContact CG-CD2 4.42Å; R203-L211 HydrophobicContact CG-CG 4.06Å; V205-L211 HydrophobicContact CG1-CB 4.17Å; Q209-L211 VanDerWaalsContact C-N 3.33Å; L211-T213 PolarHBondContact O-N 3.35Å; L211-W223 HydrophobicContact CB-CH2 4.12Å; L211-W223 HydrophobicContact CB-CZ2 3.97Å; L211-W223 HydrophobicContact CD1-CD2 3.93Å; L211-W223 HydrophobicContact CD1-CE3 3.69Å; L211-W223 HydrophobicContact CD1-CH2 4.33Å; L211-W223 HydrophobicContact CD1-CZ3 3.89Å; L211-W223 HydrophobicContact CD2-CG 4.49Å
212	P	87.1	Confident	87.5	Confident	48 Å²	48	75.2 Å²	75.2	31%	0.312	38%	0.378	S	S	.	.			trans	-56.6	127.2	176.5	-23.3	33.6	0	0	0	111.7	M215 W223	P212-M215 HydrophobicContact CB-SD 4.38Å; P212-W223 VanDerWaalsContact O-CZ2 3.27Å; P212-W223 WeakPolarHBondContact O-CZ2 3.28Å
213	T	74	Confident	87.5	Confident	53 Å²	53	75.4 Å²	75.4	33%	0.325	38%	0.376	S	S	.	.			trans	-90	-32.4	177	49.9	0	0	0	0	112.8	V205 Q209 L211 M215	V205-T213 HydrophobicContact CB-CG2 4.47Å; V205-T213 VanDerWaalsContact O-CG2 3.26Å; V205-T213 WeakPolarHBondContact O-CG2 3.49Å; Q209-T213 HydrophobicContact CB-CG2 4.08Å; Q209-T213 HydrophobicContact CG-CG2 3.51Å; Q209-T213 PolarHBondContact NE2-OG1 3.39Å; Q209-T213 PolarHBondContact OE1-OG1 3.5Å; L211-T213 PolarHBondContact O-N 3.35Å; T213-M215 PolarHBondContact O-N 2.92Å
214	D	80.7	Confident	87.5	Confident	78 Å²	78	73.3 Å²	73.3	42%	0.417	38%	0.376	S	S	.	.			trans	-80.3	101.9	173.5	-171.7	2.8	0	0	0	111.2	R216	D214-R216 WeakPolarHBondContact OD1-CB 3.32Å; D214-R216 WeakPolarHBondContact OD1-CG 3.49Å; D214-R216 IonicContact OD1-CZ 2.94Å; D214-R216 PolarHBondContact OD1-N 2.92Å; D214-R216 VanDerWaalsContact OD1-N 3.13Å; D214-R216 IonicContact OD1-NE 3.27Å; D214-R216 PolarHBondContact OD1-NE 2.54Å; D214-R216 IonicContact OD1-NH2 2.76Å; D214-R216 IonicContact OD2-CZ 3.93Å; D214-R216 IonicContact OD2-NE 2.76Å; D214-R216 PolarHBondContact OD2-NE 3.46Å; D214-R216 IonicContact OD2-NH2 3.89Å; D214-R216 PolarHBondContact OD2-NH2 2.96Å
215	M	83	Confident	87.7	Confident	29 Å²	29	70.4 Å²	70.4	14%	0.143	37%	0.365	C	S	.	.			trans	-101.9	7.4	-178.7	-62.7	-60.1	-56.7	0	0	113.8	P212 T213 N217 R218 F219 Y220 W223	P212-M215 HydrophobicContact CB-SD 4.38Å; T213-M215 PolarHBondContact O-N 2.92Å; M215-N217 PolarHBondContact O-N 3.23Å; M215-R218 HydrophobicContact CE-CB 3.65Å; M215-R218 PolarHBondContact O-N 3.02Å; M215-R218 VanDerWaalsContact O-O 3.11Å; M215-R218 HydrophobicContact SD-CB 4.11Å; M215-F219 VanDerWaalsContact CE-C 3.48Å; M215-Y220 HydrophobicContact CE-CD1 3.37Å; M215-Y220 HydrophobicContact CE-CE1 3.35Å; M215-Y220 HydrophobicContact CE-CG 4.24Å; M215-Y220 HydrophobicContact CG-CE1 3.67Å; M215-Y220 HydrophobicContact SD-CD1 4.18Å; M215-Y220 HydrophobicContact SD-CE1 3.8Å; M215-W223 HydrophobicContact CE-CZ2 4.27Å; M215-W223 HydrophobicContact SD-CH2 4.35Å; M215-W223 HydrophobicContact SD-CZ2 3.57Å; M215-W223 VanDerWaalsContact SD-CZ2 3.57Å
216	R	79.3	Confident	88.1	Confident	167 Å²	167	70 Å²	70	63%	0.63	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-31	-171.9	-74.7	177	-69.9	173.4	-2.7	114.8	D214	D214-R216 WeakPolarHBondContact OD1-CB 3.32Å; D214-R216 WeakPolarHBondContact OD1-CG 3.49Å; D214-R216 IonicContact OD1-CZ 2.94Å; D214-R216 PolarHBondContact OD1-N 2.92Å; D214-R216 VanDerWaalsContact OD1-N 3.13Å; D214-R216 IonicContact OD1-NE 3.27Å; D214-R216 PolarHBondContact OD1-NE 2.54Å; D214-R216 IonicContact OD1-NH2 2.76Å; D214-R216 IonicContact OD2-CZ 3.93Å; D214-R216 IonicContact OD2-NE 2.76Å; D214-R216 PolarHBondContact OD2-NE 3.46Å; D214-R216 IonicContact OD2-NH2 3.89Å; D214-R216 PolarHBondContact OD2-NH2 2.96Å
217	N	82.3	Confident	88.6	Confident	155 Å²	155	68 Å²	68	83%	0.829	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.4	20.8	178.1	-65.1	-39.9	0	0	0	112.6	M215	M215-N217 PolarHBondContact O-N 3.23Å
218	R	88.8	Confident	89.5	Confident	152 Å²	152	67.3 Å²	67.3	57%	0.574	33%	0.329	S	S	*	.			trans	-126.7	162.8	-175.4	-64.4	-176.6	178.3	-170	0.3	109.7	M215	M215-R218 HydrophobicContact CE-CB 3.65Å; M215-R218 PolarHBondContact O-N 3.02Å; M215-R218 VanDerWaalsContact O-O 3.11Å; M215-R218 HydrophobicContact SD-CB 4.11Å
219	F	93.7	Very high	90.3	Very high	78 Å²	78	66.7 Å²	66.7	34%	0.342	32%	0.321	S	S	.	.			trans	-127.7	161.1	175.3	-59.4	-96	0	0	0	108.9	M215 D221 G243 F244 R245	M215-F219 VanDerWaalsContact CE-C 3.48Å; F219-D221 WeakPolarHBondContact CB-OD2 3.4Å; F219-D221 PolarHBondContact O-N 3.27Å; F219-G243 CarbonylContact C-O 3.5Å; F219-G243 WeakPolarHBondContact CA-O 3.21Å; F219-G243 WeakPolarHBondContact CB-O 3.32Å; F219-F244 VanDerWaalsContact CD1-C 3.47Å; F219-R245 HydrophobicContact CB-CB 4.21Å; F219-R245 HydrophobicContact CD1-CB 3.85Å; F219-R245 HydrophobicContact CD2-CB 3.86Å; F219-R245 HydrophobicContact CE1-CB 4.12Å; F219-R245 HydrophobicContact CE2-CB 4.18Å; F219-R245 VanDerWaalsContact CE2-NH2 3.33Å; F219-R245 HydrophobicContact CG-CB 3.7Å; F219-R245 HydrophobicContact CZ-CB 4.28Å
220	Y	94.4	Very high	90.9	Very high	44 Å²	44	61.3 Å²	61.3	17%	0.173	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-79.2	5.6	-179.4	-53.4	-54.6	0	0	0	112.8	F193 M215 D222 W223 G243 F244	F193-Y220 AromaticContact CE2-CE1 3.9Å; F193-Y220 HydrophobicContact CE2-CE1 3.9Å; F193-Y220 HydrophobicContact CE2-CE2 4.35Å; F193-Y220 AromaticContact CE2-CZ 3.58Å; F193-Y220 WeakPolarHBondContact CE2-OH 3.15Å; F193-Y220 AromaticContact CZ-CE1 3.94Å; F193-Y220 HydrophobicContact CZ-CE1 3.94Å; M215-Y220 HydrophobicContact CE-CD1 3.37Å; M215-Y220 HydrophobicContact CE-CE1 3.35Å; M215-Y220 HydrophobicContact CE-CG 4.24Å; M215-Y220 HydrophobicContact CG-CE1 3.67Å; M215-Y220 HydrophobicContact SD-CD1 4.18Å; M215-Y220 HydrophobicContact SD-CE1 3.8Å; Y220-D222 PolarHBondContact O-N 3.39Å; Y220-D222 VanDerWaalsContact O-N 3.1Å; Y220-W223 AromaticContact CD1-CD2 3.66Å; Y220-W223 HydrophobicContact CD1-CD2 3.66Å; Y220-W223 AromaticContact CD1-CE2 3.63Å; Y220-W223 AromaticContact CD1-CE3 3.6Å; Y220-W223 HydrophobicContact CD1-CE3 3.6Å; Y220-W223 HydrophobicContact CD1-CG 4.48Å; Y220-W223 AromaticContact CD1-CH2 3.63Å; Y220-W223 HydrophobicContact CD1-CH2 3.63Å; Y220-W223 AromaticContact CD1-CZ2 3.63Å; Y220-W223 HydrophobicContact CD1-CZ2 3.63Å; Y220-W223 AromaticContact CD1-CZ3 3.6Å; Y220-W223 HydrophobicContact CD1-CZ3 3.6Å; Y220-W223 HydrophobicContact CE1-CE3 4.23Å; Y220-W223 AromaticContact CE1-CH2 3.5Å; Y220-W223 HydrophobicContact CE1-CH2 3.5Å; Y220-W223 AromaticContact CE1-CZ2 3.76Å; Y220-W223 HydrophobicContact CE1-CZ2 3.76Å; Y220-W223 AromaticContact CE1-CZ3 3.74Å; Y220-W223 HydrophobicContact CE1-CZ3 3.74Å; Y220-W223 HydrophobicContact CG-CD2 4.4Å; Y220-W223 HydrophobicContact CG-CE3 4.29Å; Y220-W223 WeakPolarHBondContact O-CB 3.5Å; Y220-W223 PolarHBondContact O-N 2.9Å; Y220-G243 VanDerWaalsContact CD2-O 3.26Å; Y220-G243 WeakPolarHBondContact CD2-O 3.2Å; Y220-G243 PolarHBondContact N-O 3.2Å; Y220-F244 HydrophobicContact CD2-CE2 4.27Å; Y220-F244 HydrophobicContact CD2-CZ 4.33Å; Y220-F244 HydrophobicContact CG-CZ 4.49Å
221	D	95.2	Very high	90.9	Very high	43 Å²	43	60 Å²	60	23%	0.23	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-54.4	-29.1	-177.3	-65.1	-122.4	0	0	0	113.6	F219 K228 F244 R245 A246	F219-D221 WeakPolarHBondContact CB-OD2 3.4Å; F219-D221 PolarHBondContact O-N 3.27Å; D221-K228 PolarHBondContact O-NZ 3.03Å; D221-F244 VanDerWaalsContact OD2-CA 3.29Å; D221-F244 WeakPolarHBondContact OD2-CA 3.4Å; D221-R245 PolarHBondContact OD1-N 2.8Å; D221-R245 PolarHBondContact OD2-N 3.17Å; D221-A246 WeakPolarHBondContact OD1-CB 3.47Å; D221-A246 PolarHBondContact OD1-N 3.49Å
222	D	93.8	Very high	90.9	Very high	152 Å²	152	66.3 Å²	66.3	81%	0.813	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-96.1	-4.3	-179.8	-62.4	-40.7	0	0	0	113.7	Y220	Y220-D222 PolarHBondContact O-N 3.39Å; Y220-D222 VanDerWaalsContact O-N 3.1Å
223	W	96.2	Very high	91	Very high	13 Å²	13	69 Å²	69	5%	0.049	33%	0.33	C	S	.	.	S	Bend	trans	-73.3	147.8	-174.3	-72.3	17.3	0	0	0	111.9	F193 I197 V205 L211 P212 M215 Y220 I225 K228	F193-W223 HydrophobicContact CE2-CZ3 4.45Å; F193-W223 AromaticContact CZ-CH2 3.82Å; F193-W223 HydrophobicContact CZ-CH2 3.82Å; F193-W223 HydrophobicContact CZ-CZ3 4.06Å; I197-W223 HydrophobicContact CD1-CE3 3.86Å; I197-W223 HydrophobicContact CD1-CZ3 3.48Å; I197-W223 VanDerWaalsContact CD1-CZ3 3.48Å; I197-W223 HydrophobicContact CG1-CZ3 3.84Å; I197-W223 HydrophobicContact CG2-CZ3 4.07Å; V205-W223 HydrophobicContact CG1-CH2 4.27Å; L211-W223 HydrophobicContact CB-CH2 4.12Å; L211-W223 HydrophobicContact CB-CZ2 3.97Å; L211-W223 HydrophobicContact CD1-CD2 3.93Å; L211-W223 HydrophobicContact CD1-CE3 3.69Å; L211-W223 HydrophobicContact CD1-CH2 4.33Å; L211-W223 HydrophobicContact CD1-CZ3 3.89Å; L211-W223 HydrophobicContact CD2-CG 4.49Å; P212-W223 VanDerWaalsContact O-CZ2 3.27Å; P212-W223 WeakPolarHBondContact O-CZ2 3.28Å; M215-W223 HydrophobicContact CE-CZ2 4.27Å; M215-W223 HydrophobicContact SD-CH2 4.35Å; M215-W223 HydrophobicContact SD-CZ2 3.57Å; M215-W223 VanDerWaalsContact SD-CZ2 3.57Å; Y220-W223 AromaticContact CD1-CD2 3.66Å; Y220-W223 HydrophobicContact CD1-CD2 3.66Å; Y220-W223 AromaticContact CD1-CE2 3.63Å; Y220-W223 AromaticContact CD1-CE3 3.6Å; Y220-W223 HydrophobicContact CD1-CE3 3.6Å; Y220-W223 HydrophobicContact CD1-CG 4.48Å; Y220-W223 AromaticContact CD1-CH2 3.63Å; Y220-W223 HydrophobicContact CD1-CH2 3.63Å; Y220-W223 AromaticContact CD1-CZ2 3.63Å; Y220-W223 HydrophobicContact CD1-CZ2 3.63Å; Y220-W223 AromaticContact CD1-CZ3 3.6Å; Y220-W223 HydrophobicContact CD1-CZ3 3.6Å; Y220-W223 HydrophobicContact CE1-CE3 4.23Å; Y220-W223 AromaticContact CE1-CH2 3.5Å; Y220-W223 HydrophobicContact CE1-CH2 3.5Å; Y220-W223 AromaticContact CE1-CZ2 3.76Å; Y220-W223 HydrophobicContact CE1-CZ2 3.76Å; Y220-W223 AromaticContact CE1-CZ3 3.74Å; Y220-W223 HydrophobicContact CE1-CZ3 3.74Å; Y220-W223 HydrophobicContact CG-CD2 4.4Å; Y220-W223 HydrophobicContact CG-CE3 4.29Å; Y220-W223 WeakPolarHBondContact O-CB 3.5Å; Y220-W223 PolarHBondContact O-N 2.9Å; W223-I225 HydrophobicContact CB-CD1 4.28Å; W223-I225 HydrophobicContact CB-CG1 3.92Å; W223-I225 PolarHBondContact O-N 3.23Å; W223-K228 WeakPolarHBondContact O-CE 3.06Å; W223-K228 PolarHBondContact O-NZ 2.98Å
224	P	96.9	Very high	91.7	Very high	56 Å²	56	68 Å²	68	36%	0.364	33%	0.33	S	S	.	.			trans	-78.6	62.7	-177.9	34.3	-36.9	0	0	0	110.9
225	I	98.1	Very high	92.2	Very high	2 Å²	2	65.4 Å²	65.4	1%	0.01	32%	0.315	C	S	.	.			trans	-78.9	132.2	-176.7	-54.9	172.9	0	0	0	110	L200 T201 W223 W227 K228 F244	L200-I225 HydrophobicContact CB-CG2 3.94Å; L200-I225 HydrophobicContact CD2-CG2 4.05Å; L200-I225 HydrophobicContact CG-CG2 4.4Å; L200-I225 CarbonylContact O-C 3.59Å; L200-I225 WeakPolarHBondContact O-CA 3.48Å; T201-I225 HydrophobicContact CG2-CG1 3.96Å; W223-I225 HydrophobicContact CB-CD1 4.28Å; W223-I225 HydrophobicContact CB-CG1 3.92Å; W223-I225 PolarHBondContact O-N 3.23Å; I225-W227 HydrophobicContact CB-CD2 4.18Å; I225-W227 HydrophobicContact CB-CH2 4.43Å; I225-W227 HydrophobicContact CB-CZ2 4.02Å; I225-W227 HydrophobicContact CD1-CH2 3.8Å; I225-W227 HydrophobicContact CD1-CZ2 3.4Å; I225-W227 VanDerWaalsContact CD1-CZ2 3.4Å; I225-W227 HydrophobicContact CG1-CZ2 4.29Å; I225-W227 HydrophobicContact CG2-CD2 3.27Å; I225-W227 HydrophobicContact CG2-CE3 3.28Å; I225-W227 HydrophobicContact CG2-CG 4.03Å; I225-W227 HydrophobicContact CG2-CH2 3.52Å; I225-W227 HydrophobicContact CG2-CZ2 3.5Å; I225-W227 VanDerWaalsContact CG2-CZ2 3.5Å; I225-W227 HydrophobicContact CG2-CZ3 3.42Å; I225-W227 VanDerWaalsContact CG2-CZ3 3.42Å; I225-W227 PolarHBondContact O-N 2.83Å; I225-W227 VanDerWaalsContact O-N 3.09Å; I225-K228 VanDerWaalsContact O-CB 3.22Å; I225-K228 WeakPolarHBondContact O-CB 3.38Å; I225-K228 WeakPolarHBondContact O-CG 3.36Å; I225-K228 PolarHBondContact O-N 3.45Å; I225-F244 HydrophobicContact CD1-CE1 3.59Å; I225-F244 HydrophobicContact CD1-CZ 3.49Å; I225-F244 VanDerWaalsContact CD1-CZ 3.49Å
226	V	97.4	Very high	92.6	Very high	1 Å²	1	64 Å²	64	1%	0.006	31%	0.308	C	S	.	.	H	α-helix	trans	-53.5	-35.9	-170.3	70	0	0	0	0	113.6	L200 K228 E229 Y230 F301 L404 L405	L200-V226 HydrophobicContact CD2-CG1 4.17Å; L200-V226 WeakPolarHBondContact O-CB 3.12Å; L200-V226 PolarHBondContact O-N 3.36Å; V226-K228 PolarHBondContact O-N 2.9Å; V226-K228 VanDerWaalsContact O-N 3.13Å; V226-E229 WeakPolarHBondContact O-CB 3.36Å; V226-E229 PolarHBondContact O-N 3.37Å; V226-Y230 HydrophobicContact CG2-CD2 4.07Å; V226-Y230 HydrophobicContact CG2-CE2 3.87Å; V226-Y230 WeakPolarHBondContact O-CD2 3.29Å; V226-Y230 PolarHBondContact O-N 2.94Å; V226-F301 HydrophobicContact CG1-CE1 4.46Å; V226-F301 HydrophobicContact CG1-CE2 4.05Å; V226-F301 HydrophobicContact CG1-CZ 3.64Å; V226-L404 HydrophobicContact CG1-CD1 4Å; V226-L404 HydrophobicContact CG2-CB 3.95Å; V226-L404 HydrophobicContact CG2-CD1 4.41Å; V226-L405 HydrophobicContact CG2-CD2 3.96Å; V226-L405 HydrophobicContact CG2-CG 4.34Å
227	W	95.8	Very high	93.3	Very high	2 Å²	2	56.1 Å²	56.1	1%	0.008	28%	0.279	C	S	.	.	H	α-helix	trans	-62.7	-21.9	177.9	62.2	69.6	0	0	0	113.1	L200 I225 Y230 A231 T237 F239 F244 P248 T249 F301 L303	L200-W227 HydrophobicContact CD1-CH2 4.03Å; L200-W227 HydrophobicContact CD1-CZ3 3.62Å; L200-W227 HydrophobicContact CD2-CE3 3.69Å; L200-W227 HydrophobicContact CD2-CZ3 3.44Å; L200-W227 VanDerWaalsContact CD2-CZ3 3.44Å; L200-W227 HydrophobicContact CG-CZ3 4.13Å; I225-W227 HydrophobicContact CB-CD2 4.18Å; I225-W227 HydrophobicContact CB-CH2 4.43Å; I225-W227 HydrophobicContact CB-CZ2 4.02Å; I225-W227 HydrophobicContact CD1-CH2 3.8Å; I225-W227 HydrophobicContact CD1-CZ2 3.4Å; I225-W227 VanDerWaalsContact CD1-CZ2 3.4Å; I225-W227 HydrophobicContact CG1-CZ2 4.29Å; I225-W227 HydrophobicContact CG2-CD2 3.27Å; I225-W227 HydrophobicContact CG2-CE3 3.28Å; I225-W227 HydrophobicContact CG2-CG 4.03Å; I225-W227 HydrophobicContact CG2-CH2 3.52Å; I225-W227 HydrophobicContact CG2-CZ2 3.5Å; I225-W227 VanDerWaalsContact CG2-CZ2 3.5Å; I225-W227 HydrophobicContact CG2-CZ3 3.42Å; I225-W227 VanDerWaalsContact CG2-CZ3 3.42Å; I225-W227 PolarHBondContact O-N 2.83Å; I225-W227 VanDerWaalsContact O-N 3.09Å; W227-Y230 WeakPolarHBondContact O-CB 3.44Å; W227-Y230 PolarHBondContact O-N 3.28Å; W227-A231 WeakPolarHBondContact O-CB 3.25Å; W227-A231 PolarHBondContact O-N 3.28Å; W227-T237 HydrophobicContact CB-CG2 4.07Å; W227-F239 HydrophobicContact CH2-CD1 4.13Å; W227-F239 HydrophobicContact CH2-CD2 4Å; W227-F239 HydrophobicContact CH2-CE1 4.07Å; W227-F239 AromaticContact CH2-CE2 3.93Å; W227-F239 HydrophobicContact CH2-CE2 3.93Å; W227-F239 HydrophobicContact CH2-CG 4.08Å; W227-F239 AromaticContact CH2-CZ 3.94Å; W227-F239 HydrophobicContact CH2-CZ 3.94Å; W227-F239 HydrophobicContact CZ2-CD1 4.44Å; W227-F239 AromaticContact CZ3-CD2 3.86Å; W227-F239 HydrophobicContact CZ3-CD2 3.86Å; W227-F239 AromaticContact CZ3-CE2 3.98Å; W227-F239 HydrophobicContact CZ3-CE2 3.98Å; W227-F239 HydrophobicContact CZ3-CG 4.24Å; W227-F239 HydrophobicContact CZ3-CZ 4.45Å; W227-F244 HydrophobicContact CH2-CE2 4.41Å; W227-F244 AromaticContact CH2-CZ 3.91Å; W227-F244 HydrophobicContact CH2-CZ 3.91Å; W227-F244 HydrophobicContact CZ2-CE1 4.04Å; W227-F244 HydrophobicContact CZ2-CE2 4.28Å; W227-F244 AromaticContact CZ2-CZ 3.55Å; W227-F244 HydrophobicContact CZ2-CZ 3.55Å; W227-P248 HydrophobicContact CZ2-CB 4.35Å; W227-P248 PolarHBondContact NE1-O 3.02Å; W227-T249 HydrophobicContact CD2-CG2 4.27Å; W227-T249 HydrophobicContact CG-CG2 4.12Å; W227-F301 HydrophobicContact CB-CD1 3.5Å; W227-F301 HydrophobicContact CB-CE1 3.62Å; W227-F301 HydrophobicContact CB-CG 4.29Å; W227-F301 HydrophobicContact CB-CZ 4.43Å; W227-F301 HydrophobicContact CE3-CE1 4.21Å; W227-L303 HydrophobicContact CZ3-CD2 4.2Å
228	K	96.6	Very high	94	Very high	58 Å²	58	48.8 Å²	48.8	25%	0.252	24%	0.239	S	C	.	.	H	α-helix	trans	-68.4	-37.7	173.1	-62.9	179.8	174.9	178.8	0	111.7	D221 W223 I225 V226 Y230 A231 K232	D221-K228 PolarHBondContact O-NZ 3.03Å; W223-K228 WeakPolarHBondContact O-CE 3.06Å; W223-K228 PolarHBondContact O-NZ 2.98Å; I225-K228 VanDerWaalsContact O-CB 3.22Å; I225-K228 WeakPolarHBondContact O-CB 3.38Å; I225-K228 WeakPolarHBondContact O-CG 3.36Å; I225-K228 PolarHBondContact O-N 3.45Å; V226-K228 PolarHBondContact O-N 2.9Å; V226-K228 VanDerWaalsContact O-N 3.13Å; K228-Y230 VanDerWaalsContact C-N 3.33Å; K228-A231 PolarHBondContact O-N 2.95Å; K228-K232 VanDerWaalsContact O-CG 3.27Å; K228-K232 WeakPolarHBondContact O-CG 3.41Å; K228-K232 PolarHBondContact O-N 3.34Å
229	E	94.9	Very high	94.3	Very high	68 Å²	68	42.1 Å²	42.1	32%	0.318	22%	0.215	S	C	.	.	H	α-helix	trans	-66.5	-40.4	174	-59.1	-50.7	130.6	0	0	110.6	V226 K232 K233 L405 L408	V226-E229 WeakPolarHBondContact O-CB 3.36Å; V226-E229 PolarHBondContact O-N 3.37Å; E229-K232 PolarHBondContact O-N 2.94Å; E229-K232 IonicContact OE1-NZ 3.08Å; E229-K232 PolarHBondContact OE1-NZ 2.9Å; E229-K232 IonicContact OE2-NZ 3.99Å; E229-K232 PolarHBondContact OE2-NZ 2.6Å; E229-K233 PolarHBondContact O-N 2.78Å; E229-K233 VanDerWaalsContact O-N 3.15Å; E229-L405 HydrophobicContact CB-CD2 4.47Å; E229-L405 HydrophobicContact CG-CD2 4.39Å; E229-L408 HydrophobicContact CB-CD2 3.61Å
230	Y	93.8	Very high	94.1	Very high	1 Å²	1	38.9 Å²	38.9	0%	0.004	20%	0.201	C	C	.	.	H	α-helix	trans	-60.7	-46	170.7	-80.7	-82.8	0	0	0	112.1	V149 V226 W227 K228 K232 K233 G234 Y235 F301 L404 L408	V149-Y230 HydrophobicContact CG2-CE1 4.29Å; V226-Y230 HydrophobicContact CG2-CD2 4.07Å; V226-Y230 HydrophobicContact CG2-CE2 3.87Å; V226-Y230 WeakPolarHBondContact O-CD2 3.29Å; V226-Y230 PolarHBondContact O-N 2.94Å; W227-Y230 WeakPolarHBondContact O-CB 3.44Å; W227-Y230 PolarHBondContact O-N 3.28Å; K228-Y230 VanDerWaalsContact C-N 3.33Å; Y230-K232 PolarHBondContact O-N 3.12Å; Y230-K233 CarbonylContact O-C 3.6Å; Y230-K233 PolarHBondContact O-N 2.84Å; Y230-K233 VanDerWaalsContact O-N 3.1Å; Y230-G234 PolarHBondContact O-N 3.09Å; Y230-Y235 AromaticContact CD1-CD1 3.27Å; Y230-Y235 HydrophobicContact CD1-CD1 3.27Å; Y230-Y235 AromaticContact CD1-CD2 3.97Å; Y230-Y235 HydrophobicContact CD1-CD2 3.97Å; Y230-Y235 AromaticContact CD1-CE1 3.37Å; Y230-Y235 HydrophobicContact CD1-CE1 3.37Å; Y230-Y235 HydrophobicContact CD1-CE2 4.05Å; Y230-Y235 AromaticContact CD1-CG 3.63Å; Y230-Y235 HydrophobicContact CD1-CG 3.63Å; Y230-Y235 AromaticContact CD1-CZ 3.8Å; Y230-Y235 AromaticContact CE1-CD1 3.92Å; Y230-Y235 HydrophobicContact CE1-CD1 3.92Å; Y230-Y235 AromaticContact CE1-CE1 3.57Å; Y230-Y235 HydrophobicContact CE1-CE1 3.57Å; Y230-Y235 HydrophobicContact CG-CD1 4.22Å; Y230-Y235 HydrophobicContact CG-CG 4.31Å; Y230-Y235 VanDerWaalsContact O-CB 3.29Å; Y230-Y235 WeakPolarHBondContact O-CB 3.37Å; Y230-Y235 VanDerWaalsContact O-CD2 3.24Å; Y230-Y235 WeakPolarHBondContact O-CD2 3.4Å; Y230-Y235 PolarHBondContact O-N 2.69Å; Y230-F301 HydrophobicContact CD1-CB 4.15Å; Y230-F301 HydrophobicContact CD1-CD2 4.05Å; Y230-F301 HydrophobicContact CD1-CG 4.49Å; Y230-F301 HydrophobicContact CD2-CB 4.41Å; Y230-F301 AromaticContact CD2-CD2 3.31Å; Y230-F301 HydrophobicContact CD2-CD2 3.31Å; Y230-F301 AromaticContact CD2-CE2 3.73Å; Y230-F301 HydrophobicContact CD2-CE2 3.73Å; Y230-F301 AromaticContact CD2-CG 3.97Å; Y230-F301 HydrophobicContact CD2-CG 3.97Å; Y230-F301 HydrophobicContact CE1-CD2 4.07Å; Y230-F301 AromaticContact CE2-CD2 3.35Å; Y230-F301 HydrophobicContact CE2-CD2 3.35Å; Y230-F301 AromaticContact CE2-CE2 3.52Å; Y230-F301 HydrophobicContact CE2-CE2 3.52Å; Y230-F301 HydrophobicContact CE2-CG 4.41Å; Y230-F301 HydrophobicContact CG-CB 3.94Å; Y230-F301 AromaticContact CG-CD2 3.67Å; Y230-F301 HydrophobicContact CG-CD2 3.67Å; Y230-F301 HydrophobicContact CG-CG 4.01Å; Y230-F301 AromaticContact CZ-CD2 3.72Å; Y230-L404 HydrophobicContact CE2-CB 4.14Å; Y230-L404 PolarHBondContact OH-O 3.22Å; Y230-L408 HydrophobicContact CD1-CD1 3.53Å; Y230-L408 HydrophobicContact CD1-CD2 4.4Å; Y230-L408 HydrophobicContact CD1-CG 4.35Å; Y230-L408 HydrophobicContact CD2-CD2 4.18Å; Y230-L408 HydrophobicContact CE1-CB 4.02Å; Y230-L408 HydrophobicContact CE1-CD1 3.75Å; Y230-L408 HydrophobicContact CE1-CG 4.34Å; Y230-L408 HydrophobicContact CE2-CB 4.37Å; Y230-L408 HydrophobicContact CE2-CD2 4.4Å; Y230-L408 HydrophobicContact CG-CD1 4.09Å; Y230-L408 HydrophobicContact CG-CD2 4.2Å
231	A	93.2	Very high	93.8	Very high	40 Å²	40	37.7 Å²	37.7	33%	0.331	20%	0.202	S	C	.	.	H	α-helix	trans	-61.6	-41.9	178.2	0	0	0	0	0	112.1	W227 K228 K233 G234 T237	W227-A231 WeakPolarHBondContact O-CB 3.25Å; W227-A231 PolarHBondContact O-N 3.28Å; K228-A231 PolarHBondContact O-N 2.95Å; A231-K233 VanDerWaalsContact C-N 3.25Å; A231-K233 PolarHBondContact O-N 3.32Å; A231-G234 WeakPolarHBondContact O-CA 3.46Å; A231-G234 PolarHBondContact O-N 3.17Å; A231-T237 HydrophobicContact CB-CG2 4.1Å
232	K	92.9	Very high	93.5	Very high	152 Å²	152	40.2 Å²	40.2	66%	0.661	22%	0.215	S	C	*	.	H	α-helix	trans	-58.8	-35.3	173.5	-73.6	170.1	-173.2	171.3	0	112.4	K228 E229 Y230 G234	K228-K232 VanDerWaalsContact O-CG 3.27Å; K228-K232 WeakPolarHBondContact O-CG 3.41Å; K228-K232 PolarHBondContact O-N 3.34Å; E229-K232 PolarHBondContact O-N 2.94Å; E229-K232 IonicContact OE1-NZ 3.08Å; E229-K232 PolarHBondContact OE1-NZ 2.9Å; E229-K232 IonicContact OE2-NZ 3.99Å; E229-K232 PolarHBondContact OE2-NZ 2.6Å; Y230-K232 PolarHBondContact O-N 3.12Å; K232-G234 PolarHBondContact O-N 2.76Å
233	K	89.1	Confident	93.3	Very high	104 Å²	104	34.3 Å²	34.3	45%	0.452	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	15.4	173.2	-58.6	-153.7	-163.9	174.4	0	113.4	E229 Y230 A231 Y235 L408 D409	E229-K233 PolarHBondContact O-N 2.78Å; E229-K233 VanDerWaalsContact O-N 3.15Å; Y230-K233 CarbonylContact O-C 3.6Å; Y230-K233 PolarHBondContact O-N 2.84Å; Y230-K233 VanDerWaalsContact O-N 3.1Å; A231-K233 VanDerWaalsContact C-N 3.25Å; A231-K233 PolarHBondContact O-N 3.32Å; K233-Y235 HydrophobicContact CB-CD2 4.22Å; K233-Y235 HydrophobicContact CB-CE2 4.23Å; K233-L408 HydrophobicContact CB-CD1 3.96Å; K233-L408 HydrophobicContact CD-CD1 3.55Å; K233-L408 HydrophobicContact CD-CD2 4.32Å; K233-L408 HydrophobicContact CD-CG 3.75Å; K233-L408 HydrophobicContact CG-CD1 3.96Å; K233-L408 HydrophobicContact CG-CG 4.36Å; K233-L408 PolarHBondContact NZ-O 2.79Å; K233-D409 IonicContact NZ-OD1 3.94Å; K233-D409 PolarHBondContact NZ-OD1 2.77Å
234	G	88.9	Confident	93.2	Very high	32 Å²	32	34.9 Å²	34.9	33%	0.33	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.3	9.5	172.5	0	0	0	0	0	115.5	Y230 A231 K232 R298	Y230-G234 PolarHBondContact O-N 3.09Å; A231-G234 WeakPolarHBondContact O-CA 3.46Å; A231-G234 PolarHBondContact O-N 3.17Å; K232-G234 PolarHBondContact O-N 2.76Å; G234-R298 PolarHBondContact O-NE 2.95Å; G234-R298 PolarHBondContact O-NH2 3.17Å
235	Y	91.1	Very high	93	Very high	24 Å²	24	41.4 Å²	41.4	9%	0.094	21%	0.21	C	C	.	.			trans	-75.8	141.5	-175.7	-71	-128.6	0	0	0	114.8	P147 Y230 K233 T237 R298 P299 F301 L408	P147-Y235 WeakPolarHBondContact O-CE1 3.45Å; P147-Y235 PolarHBondContact O-OH 2.9Å; Y230-Y235 AromaticContact CD1-CD1 3.27Å; Y230-Y235 HydrophobicContact CD1-CD1 3.27Å; Y230-Y235 AromaticContact CD1-CD2 3.97Å; Y230-Y235 HydrophobicContact CD1-CD2 3.97Å; Y230-Y235 AromaticContact CD1-CE1 3.37Å; Y230-Y235 HydrophobicContact CD1-CE1 3.37Å; Y230-Y235 HydrophobicContact CD1-CE2 4.05Å; Y230-Y235 AromaticContact CD1-CG 3.63Å; Y230-Y235 HydrophobicContact CD1-CG 3.63Å; Y230-Y235 AromaticContact CD1-CZ 3.8Å; Y230-Y235 AromaticContact CE1-CD1 3.92Å; Y230-Y235 HydrophobicContact CE1-CD1 3.92Å; Y230-Y235 AromaticContact CE1-CE1 3.57Å; Y230-Y235 HydrophobicContact CE1-CE1 3.57Å; Y230-Y235 HydrophobicContact CG-CD1 4.22Å; Y230-Y235 HydrophobicContact CG-CG 4.31Å; Y230-Y235 VanDerWaalsContact O-CB 3.29Å; Y230-Y235 WeakPolarHBondContact O-CB 3.37Å; Y230-Y235 VanDerWaalsContact O-CD2 3.24Å; Y230-Y235 WeakPolarHBondContact O-CD2 3.4Å; Y230-Y235 PolarHBondContact O-N 2.69Å; K233-Y235 HydrophobicContact CB-CD2 4.22Å; K233-Y235 HydrophobicContact CB-CE2 4.23Å; Y235-T237 PolarHBondContact O-N 3.27Å; Y235-R298 VanDerWaalsContact C-CZ 3.47Å; Y235-R298 PolarHBondContact O-NH2 3.34Å; Y235-P299 HydrophobicContact CD1-CB 3.25Å; Y235-P299 HydrophobicContact CD1-CG 3.43Å; Y235-P299 VanDerWaalsContact CD1-CG 3.43Å; Y235-P299 HydrophobicContact CD2-CB 4.08Å; Y235-P299 HydrophobicContact CD2-CG 3.44Å; Y235-P299 VanDerWaalsContact CD2-CG 3.44Å; Y235-P299 HydrophobicContact CE1-CB 3.26Å; Y235-P299 HydrophobicContact CE1-CG 3.76Å; Y235-P299 HydrophobicContact CE2-CB 4.1Å; Y235-P299 HydrophobicContact CE2-CG 3.77Å; Y235-P299 HydrophobicContact CG-CB 3.65Å; Y235-P299 HydrophobicContact CG-CG 3.22Å; Y235-F301 HydrophobicContact CD1-CB 4.38Å; Y235-L408 HydrophobicContact CD2-CD1 4.34Å; Y235-L408 HydrophobicContact CE2-CD1 3.75Å
236	A	92.3	Very high	92.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	122.6	167.4	0	0	0	0	0	108.4	F290 Y294 R298 P299 V300 F301	A236-F290 HydrophobicContact CB-CE2 4.04Å; A236-F290 HydrophobicContact CB-CZ 4.43Å; A236-Y294 HydrophobicContact CB-CD1 4.11Å; A236-Y294 HydrophobicContact CB-CD2 4.04Å; A236-Y294 HydrophobicContact CB-CE1 3.66Å; A236-Y294 HydrophobicContact CB-CE2 3.72Å; A236-Y294 HydrophobicContact CB-CG 4.24Å; A236-Y294 VanDerWaalsContact CB-CZ 3.49Å; A236-R298 VanDerWaalsContact CA-CZ 3.46Å; A236-R298 HydrophobicContact CB-CB 4.37Å; A236-R298 VanDerWaalsContact CB-CD 3.48Å; A236-R298 HydrophobicContact CB-CG 3.9Å; A236-R298 VanDerWaalsContact N-CZ 3.34Å; A236-P299 WeakPolarHBondContact CB-O 3.32Å; A236-P299 PolarHBondContact N-O 3.21Å; A236-V300 HydrophobicContact CB-CG1 4.39Å; A236-V300 CarbonylContact O-C 3.57Å; A236-V300 VanDerWaalsContact O-CA 3.25Å; A236-V300 WeakPolarHBondContact O-CA 3.41Å; A236-F301 PolarHBondContact O-N 3.17Å
237	T	94.9	Very high	92.8	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.012	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	137.5	-174.7	53.2	0	0	0	0	111.1	W227 A231 Y235 T249 D250 H251 F301	W227-T237 HydrophobicContact CB-CG2 4.07Å; A231-T237 HydrophobicContact CB-CG2 4.1Å; Y235-T237 PolarHBondContact O-N 3.27Å; T237-T249 VanDerWaalsContact OG1-CA 3.23Å; T237-T249 WeakPolarHBondContact OG1-CA 2.98Å; T237-T249 VanDerWaalsContact OG1-CB 3.29Å; T237-T249 WeakPolarHBondContact OG1-CB 3.23Å; T237-D250 PolarHBondContact N-OD2 2.87Å; T237-D250 PolarHBondContact O-N 3.49Å; T237-D250 PolarHBondContact OG1-N 2.7Å; T237-D250 PolarHBondContact OG1-OD2 3.41Å; T237-H251 PolarHBondContact O-N 3.03Å; T237-F301 CarbonylContact C-O 3.42Å; T237-F301 VanDerWaalsContact CA-O 3.25Å; T237-F301 WeakPolarHBondContact CA-O 3.27Å; T237-F301 HydrophobicContact CG2-CB 4.33Å
238	L	95.5	Very high	92.8	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	135	173.4	-179.7	152.2	0	0	0	110.3	H251 Y286 V287 F290 F301 L303	L238-H251 WeakPolarHBondContact CA-O 3.43Å; L238-H251 HydrophobicContact CB-CB 4.05Å; L238-H251 HydrophobicContact CD1-CB 4.16Å; L238-H251 HydrophobicContact CG-CB 4.11Å; L238-Y286 HydrophobicContact CD1-CD1 3.82Å; L238-Y286 HydrophobicContact CD1-CE1 3.76Å; L238-Y286 HydrophobicContact CG-CE1 4.27Å; L238-V287 HydrophobicContact CD2-CG2 4.45Å; L238-F290 HydrophobicContact CB-CD1 4.11Å; L238-F290 HydrophobicContact CB-CD2 4.16Å; L238-F290 HydrophobicContact CB-CE1 3.76Å; L238-F290 HydrophobicContact CB-CE2 3.89Å; L238-F290 HydrophobicContact CB-CG 4.27Å; L238-F290 HydrophobicContact CB-CZ 3.64Å; L238-F290 HydrophobicContact CD1-CB 3.67Å; L238-F290 HydrophobicContact CD1-CD1 3.78Å; L238-F290 HydrophobicContact CD1-CD2 3.92Å; L238-F290 HydrophobicContact CD1-CE1 4.31Å; L238-F290 HydrophobicContact CD1-CE2 4.5Å; L238-F290 HydrophobicContact CD1-CG 3.53Å; L238-F301 PolarHBondContact N-O 3.15Å; L238-L303 PolarHBondContact O-N 2.8Å
239	F	96	Very high	92.7	Very high	12 Å²	12	48.8 Å²	48.8	5%	0.053	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	155.4	175.6	-179.4	-118.3	0	0	0	111.4	W227 G241 F244 P248 T249 H251 Y252 Y253 L303	W227-F239 HydrophobicContact CH2-CD1 4.13Å; W227-F239 HydrophobicContact CH2-CD2 4Å; W227-F239 HydrophobicContact CH2-CE1 4.07Å; W227-F239 AromaticContact CH2-CE2 3.93Å; W227-F239 HydrophobicContact CH2-CE2 3.93Å; W227-F239 HydrophobicContact CH2-CG 4.08Å; W227-F239 AromaticContact CH2-CZ 3.94Å; W227-F239 HydrophobicContact CH2-CZ 3.94Å; W227-F239 HydrophobicContact CZ2-CD1 4.44Å; W227-F239 AromaticContact CZ3-CD2 3.86Å; W227-F239 HydrophobicContact CZ3-CD2 3.86Å; W227-F239 AromaticContact CZ3-CE2 3.98Å; W227-F239 HydrophobicContact CZ3-CE2 3.98Å; W227-F239 HydrophobicContact CZ3-CG 4.24Å; W227-F239 HydrophobicContact CZ3-CZ 4.45Å; F239-G241 VanDerWaalsContact CE1-C 3.48Å; F239-G241 VanDerWaalsContact CZ-N 3.32Å; F239-F244 HydrophobicContact CD1-CE2 4.24Å; F239-F244 HydrophobicContact CE1-CD2 4.02Å; F239-F244 AromaticContact CE1-CE2 3.46Å; F239-F244 HydrophobicContact CE1-CE2 3.46Å; F239-F244 VanDerWaalsContact CE1-CE2 3.46Å; F239-F244 HydrophobicContact CE1-CZ 4.35Å; F239-F244 HydrophobicContact CZ-CE2 4.14Å; F239-P248 HydrophobicContact CD1-CG 3.92Å; F239-T249 HydrophobicContact CB-CG2 3.59Å; F239-T249 PolarHBondContact N-OG1 3.05Å; F239-H251 PolarHBondContact N-O 2.04Å; F239-Y252 HydrophobicContact CD1-CD2 4.18Å; F239-Y252 AromaticContact CD1-CE2 3.84Å; F239-Y252 HydrophobicContact CD1-CE2 3.84Å; F239-Y252 HydrophobicContact CE1-CE2 4.32Å; F239-Y252 WeakPolarHBondContact O-CA 3.31Å; F239-Y252 WeakPolarHBondContact O-CD2 3.09Å; F239-Y253 PolarHBondContact O-N 3.08Å; F239-L303 HydrophobicContact CD2-CB 4.28Å; F239-L303 HydrophobicContact CD2-CD2 3.83Å; F239-L303 HydrophobicContact CD2-CG 4.12Å; F239-L303 HydrophobicContact CE2-CD2 3.8Å; F239-L303 HydrophobicContact CE2-CG 4.43Å
240	D	89.4	Confident	92.7	Very high	10 Å²	10	47.8 Å²	47.8	5%	0.053	25%	0.254	C	S	.	.			trans	-130.1	0.4	-175.5	51.1	18.4	0	0	0	115.4	Y253 Q283 N304 W305	D240-Y253 HydrophobicContact CB-CD1 3.96Å; D240-Y253 HydrophobicContact CB-CG 4.29Å; D240-Q283 PolarHBondContact OD2-NE2 3.43Å; D240-N304 WeakPolarHBondContact OD2-CA 3.36Å; D240-N304 PolarHBondContact OD2-ND2 2.93Å; D240-W305 VanDerWaalsContact OD1-CB 3.29Å; D240-W305 WeakPolarHBondContact OD1-CB 3.4Å; D240-W305 PolarHBondContact OD1-N 2.93Å; D240-W305 PolarHBondContact OD2-N 2.91Å
241	G	88.5	Confident	92.8	Very high	19 Å²	19	48 Å²	48	20%	0.196	25%	0.254	C	S	.	.			trans	-89.7	-173.2	-175.7	0	0	0	0	0	116.7	F239 Y252	F239-G241 VanDerWaalsContact CE1-C 3.48Å; F239-G241 VanDerWaalsContact CZ-N 3.32Å; G241-Y252 WeakPolarHBondContact O-CE2 3.4Å; G241-Y252 VanDerWaalsContact O-CZ 3.3Å; G241-Y252 PolarHBondContact O-OH 3.46Å
242	N	88	Confident	92.9	Very high	96 Å²	96	47.2 Å²	47.2	51%	0.513	24%	0.243	S	C	.	.	S	Bend	trans	-105.2	172.8	-173.1	-80.7	-54.2	0	0	0	113.9	F244 R254	N242-F244 WeakPolarHBondContact O-CD2 3.26Å; N242-F244 WeakPolarHBondContact O-CE2 3.2Å; N242-R254 PolarHBondContact OD1-NE 3.33Å; N242-R254 PolarHBondContact OD1-NH2 2.66Å
243	G	90.6	Very high	93	Very high	27 Å²	27	40.2 Å²	40.2	28%	0.278	21%	0.213	S	C	.	.			trans	97.1	18.9	163.8	0	0	0	0	0	115.2	F219 Y220	F219-G243 CarbonylContact C-O 3.5Å; F219-G243 WeakPolarHBondContact CA-O 3.21Å; F219-G243 WeakPolarHBondContact CB-O 3.32Å; Y220-G243 VanDerWaalsContact CD2-O 3.26Å; Y220-G243 WeakPolarHBondContact CD2-O 3.2Å; Y220-G243 PolarHBondContact N-O 3.2Å
244	F	94.4	Very high	93.2	Very high	26 Å²	26	37 Å²	37	11%	0.114	20%	0.198	C	C	.	.			trans	-115.7	142.2	178.2	-60.7	-88.7	0	0	0	110.9	F219 Y220 D221 I225 W227 F239 N242 A246 P248	F219-F244 VanDerWaalsContact CD1-C 3.47Å; Y220-F244 HydrophobicContact CD2-CE2 4.27Å; Y220-F244 HydrophobicContact CD2-CZ 4.33Å; Y220-F244 HydrophobicContact CG-CZ 4.49Å; D221-F244 VanDerWaalsContact OD2-CA 3.29Å; D221-F244 WeakPolarHBondContact OD2-CA 3.4Å; I225-F244 HydrophobicContact CD1-CE1 3.59Å; I225-F244 HydrophobicContact CD1-CZ 3.49Å; I225-F244 VanDerWaalsContact CD1-CZ 3.49Å; W227-F244 HydrophobicContact CH2-CE2 4.41Å; W227-F244 AromaticContact CH2-CZ 3.91Å; W227-F244 HydrophobicContact CH2-CZ 3.91Å; W227-F244 HydrophobicContact CZ2-CE1 4.04Å; W227-F244 HydrophobicContact CZ2-CE2 4.28Å; W227-F244 AromaticContact CZ2-CZ 3.55Å; W227-F244 HydrophobicContact CZ2-CZ 3.55Å; F239-F244 HydrophobicContact CD1-CE2 4.24Å; F239-F244 HydrophobicContact CE1-CD2 4.02Å; F239-F244 AromaticContact CE1-CE2 3.46Å; F239-F244 HydrophobicContact CE1-CE2 3.46Å; F239-F244 VanDerWaalsContact CE1-CE2 3.46Å; F239-F244 HydrophobicContact CE1-CZ 4.35Å; F239-F244 HydrophobicContact CZ-CE2 4.14Å; N242-F244 WeakPolarHBondContact O-CD2 3.26Å; N242-F244 WeakPolarHBondContact O-CE2 3.2Å; F244-A246 WeakPolarHBondContact CB-O 3.46Å; F244-P248 HydrophobicContact CB-CB 4.22Å; F244-P248 HydrophobicContact CB-CG 4.2Å; F244-P248 HydrophobicContact CD1-CB 3.62Å; F244-P248 HydrophobicContact CD1-CG 4.33Å; F244-P248 HydrophobicContact CD2-CB 4.04Å; F244-P248 HydrophobicContact CD2-CG 3.9Å; F244-P248 HydrophobicContact CE1-CB 3.92Å; F244-P248 HydrophobicContact CE2-CB 4.37Å; F244-P248 HydrophobicContact CE2-CG 4.42Å; F244-P248 HydrophobicContact CG-CB 3.67Å; F244-P248 HydrophobicContact CG-CG 3.86Å; F244-P248 HydrophobicContact CZ-CB 4.3Å
245	R	92.9	Very high	93.4	Very high	193 Å²	193	38.6 Å²	38.6	73%	0.728	20%	0.202	S	C	*	.	S	Bend	trans	-84.2	-49.3	174.3	178.3	-176.8	-72.1	-100.3	7.5	110.3	F219 D221	F219-R245 HydrophobicContact CB-CB 4.21Å; F219-R245 HydrophobicContact CD1-CB 3.85Å; F219-R245 HydrophobicContact CD2-CB 3.86Å; F219-R245 HydrophobicContact CE1-CB 4.12Å; F219-R245 HydrophobicContact CE2-CB 4.18Å; F219-R245 VanDerWaalsContact CE2-NH2 3.33Å; F219-R245 HydrophobicContact CG-CB 3.7Å; F219-R245 HydrophobicContact CZ-CB 4.28Å; D221-R245 PolarHBondContact OD1-N 2.8Å; D221-R245 PolarHBondContact OD2-N 3.17Å
246	A	94.7	Very high	93.6	Very high	60 Å²	60	37.7 Å²	37.7	50%	0.496	20%	0.199	S	C	.	.	S	Bend	trans	-91.2	163.2	172.7	0	0	0	0	0	110.9	D221 F244 P248	D221-A246 WeakPolarHBondContact OD1-CB 3.47Å; D221-A246 PolarHBondContact OD1-N 3.49Å; F244-A246 WeakPolarHBondContact CB-O 3.46Å; A246-P248 VanDerWaalsContact O-CD 3.28Å; A246-P248 WeakPolarHBondContact O-CD 3.19Å
247	K	94.6	Very high	93.7	Very high	125 Å²	125	40.9 Å²	40.9	54%	0.543	22%	0.215	S	C	.	.			trans	-61.7	115.9	173.6	-167.9	-168.6	-173.1	178.6	0	108.9	T249 D250 Y252	K247-T249 VanDerWaalsContact CD-O 3.32Å; K247-T249 WeakPolarHBondContact CD-O 3.41Å; K247-T249 WeakPolarHBondContact CE-O 3.48Å; K247-T249 VanDerWaalsContact CG-O 3.32Å; K247-T249 WeakPolarHBondContact CG-O 3.14Å; K247-T249 PolarHBondContact O-N 3.02Å; K247-D250 WeakPolarHBondContact CE-O 3.36Å; K247-D250 PolarHBondContact NZ-O 2.76Å; K247-Y252 HydrophobicContact CG-CD1 4.25Å; K247-Y252 HydrophobicContact CG-CG 4.35Å
248	P	96.6	Very high	93.6	Very high	24 Å²	24	43.2 Å²	43.2	16%	0.156	23%	0.227	C	C	.	.			trans	-80.6	-15.2	-169.8	31.2	-36.1	0	0	0	114.5	W227 F239 F244 A246 Y252	W227-P248 HydrophobicContact CZ2-CB 4.35Å; W227-P248 PolarHBondContact NE1-O 3.02Å; F239-P248 HydrophobicContact CD1-CG 3.92Å; F244-P248 HydrophobicContact CB-CB 4.22Å; F244-P248 HydrophobicContact CB-CG 4.2Å; F244-P248 HydrophobicContact CD1-CB 3.62Å; F244-P248 HydrophobicContact CD1-CG 4.33Å; F244-P248 HydrophobicContact CD2-CB 4.04Å; F244-P248 HydrophobicContact CD2-CG 3.9Å; F244-P248 HydrophobicContact CE1-CB 3.92Å; F244-P248 HydrophobicContact CE2-CB 4.37Å; F244-P248 HydrophobicContact CE2-CG 4.42Å; F244-P248 HydrophobicContact CG-CB 3.67Å; F244-P248 HydrophobicContact CG-CG 3.86Å; F244-P248 HydrophobicContact CZ-CB 4.3Å; A246-P248 VanDerWaalsContact O-CD 3.28Å; A246-P248 WeakPolarHBondContact O-CD 3.19Å; P248-Y252 HydrophobicContact CG-CD2 3.85Å; P248-Y252 HydrophobicContact CG-CE2 3.84Å; P248-Y252 HydrophobicContact CG-CG 4.29Å
249	T	95.8	Very high	93.6	Very high	8 Å²	8	48.3 Å²	48.3	5%	0.049	25%	0.246	C	C	.	.	S	Bend	trans	-145.6	161.6	-172.9	50.7	0	0	0	0	111	W227 T237 F239 K247 H251	W227-T249 HydrophobicContact CD2-CG2 4.27Å; W227-T249 HydrophobicContact CG-CG2 4.12Å; T237-T249 VanDerWaalsContact OG1-CA 3.23Å; T237-T249 WeakPolarHBondContact OG1-CA 2.98Å; T237-T249 VanDerWaalsContact OG1-CB 3.29Å; T237-T249 WeakPolarHBondContact OG1-CB 3.23Å; F239-T249 HydrophobicContact CB-CG2 3.59Å; F239-T249 PolarHBondContact N-OG1 3.05Å; K247-T249 VanDerWaalsContact CD-O 3.32Å; K247-T249 WeakPolarHBondContact CD-O 3.41Å; K247-T249 WeakPolarHBondContact CE-O 3.48Å; K247-T249 VanDerWaalsContact CG-O 3.32Å; K247-T249 WeakPolarHBondContact CG-O 3.14Å; K247-T249 PolarHBondContact O-N 3.02Å; T249-H251 PolarHBondContact O-N 3.46Å; T249-H251 PolarHBondContact OG1-O 3.22Å
250	D	94.3	Very high	93.5	Very high	48 Å²	48	47.9 Å²	47.9	26%	0.257	24%	0.244	S	C	.	.	S	Bend	trans	-57.1	-36.4	176.4	-58.2	-100	0	0	0	111.5	T237 K247 R298	T237-D250 PolarHBondContact N-OD2 2.87Å; T237-D250 PolarHBondContact O-N 3.49Å; T237-D250 PolarHBondContact OG1-N 2.7Å; T237-D250 PolarHBondContact OG1-OD2 3.41Å; K247-D250 WeakPolarHBondContact CE-O 3.36Å; K247-D250 PolarHBondContact NZ-O 2.76Å; D250-R298 IonicContact OD1-CZ 2.72Å; D250-R298 IonicContact OD1-NH1 2.91Å; D250-R298 PolarHBondContact OD1-NH1 3.24Å; D250-R298 IonicContact OD1-NH2 3.03Å; D250-R298 IonicContact OD2-NH1 2.7Å; D250-R298 IonicContact OD2-NH2 2.9Å
251	H	95	Very high	93.6	Very high	4 Å²	4	52.4 Å²	52.4	2%	0.019	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	119.5	178.4	-61.3	-64.4	0	0	0	109.6	E117 I140 T237 L238 F239 T249 Y286 F290 Y294	E117-H251 VanDerWaalsContact CD-ND1 3.26Å; E117-H251 IonicContact OE1-CE1 3.1Å; E117-H251 PolarHBondContact OE1-CE1 3.17Å; E117-H251 IonicContact OE1-ND1 2.76Å; E117-H251 PolarHBondContact OE1-ND1 3.47Å; E117-H251 IonicContact OE2-CE1 2.72Å; E117-H251 IonicContact OE2-ND1 2.65Å; E117-H251 PolarHBondContact OE2-ND1 3.02Å; E117-H251 VanDerWaalsContact OE2-ND1 3.08Å; I140-H251 HydrophobicContact CD1-CB 4.05Å; I140-H251 VanDerWaalsContact CD1-ND1 3.26Å; I140-H251 WeakPolarHBondContact CD1-ND1 3.3Å; T237-H251 PolarHBondContact O-N 3.03Å; L238-H251 WeakPolarHBondContact CA-O 3.43Å; L238-H251 HydrophobicContact CB-CB 4.05Å; L238-H251 HydrophobicContact CD1-CB 4.16Å; L238-H251 HydrophobicContact CG-CB 4.11Å; F239-H251 PolarHBondContact N-O 2.04Å; T249-H251 PolarHBondContact O-N 3.46Å; T249-H251 PolarHBondContact OG1-O 3.22Å; H251-Y286 HydrophobicContact CB-CE1 4.22Å; H251-Y286 WeakPolarHBondContact CB-OH 3.22Å; H251-F290 AromaticContact CD2-CD2 3.57Å; H251-F290 AromaticContact CD2-CE2 3.46Å; H251-F290 VanDerWaalsContact CD2-CE2 3.46Å; H251-F290 WeakPolarHBondContact CD2-CE2 3.01Å; H251-Y294 AromaticContact CD2-CE2 3.79Å; H251-Y294 PolarHBondContact CE1-OH 2.87Å; H251-Y294 AromaticContact NE2-CE2 3.24Å; H251-Y294 WeakPolarHBondContact NE2-CE2 2.98Å; H251-Y294 AromaticContact NE2-CZ 3.3Å; H251-Y294 VanDerWaalsContact NE2-CZ 3.3Å; H251-Y294 PolarHBondContact NE2-OH 3.23Å
252	Y	95.9	Very high	93.9	Very high	25 Å²	25	59.2 Å²	59.2	10%	0.098	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	103.5	-173.2	-173.6	-137.9	0	0	0	109.6	F118 F239 G241 K247 P248 R254 P255 Y286	F118-Y252 WeakPolarHBondContact CE2-O 3.17Å; F118-Y252 VanDerWaalsContact CZ-O 3.3Å; F118-Y252 WeakPolarHBondContact CZ-O 3.1Å; F239-Y252 HydrophobicContact CD1-CD2 4.18Å; F239-Y252 AromaticContact CD1-CE2 3.84Å; F239-Y252 HydrophobicContact CD1-CE2 3.84Å; F239-Y252 HydrophobicContact CE1-CE2 4.32Å; F239-Y252 WeakPolarHBondContact O-CA 3.31Å; F239-Y252 WeakPolarHBondContact O-CD2 3.09Å; G241-Y252 WeakPolarHBondContact O-CE2 3.4Å; G241-Y252 VanDerWaalsContact O-CZ 3.3Å; G241-Y252 PolarHBondContact O-OH 3.46Å; K247-Y252 HydrophobicContact CG-CD1 4.25Å; K247-Y252 HydrophobicContact CG-CG 4.35Å; P248-Y252 HydrophobicContact CG-CD2 3.85Å; P248-Y252 HydrophobicContact CG-CE2 3.84Å; P248-Y252 HydrophobicContact CG-CG 4.29Å; Y252-R254 VanDerWaalsContact C-N 3.29Å; Y252-R254 HydrophobicContact CD1-CB 4.37Å; Y252-R254 HydrophobicContact CD2-CB 4.16Å; Y252-R254 HydrophobicContact CE1-CB 3.8Å; Y252-R254 HydrophobicContact CE1-CG 4.41Å; Y252-R254 HydrophobicContact CE2-CB 3.53Å; Y252-R254 HydrophobicContact CE2-CG 4.45Å; Y252-R254 PolarHBondContact O-N 3.07Å; Y252-R254 WeakPolarHBondContact OH-CB 2.96Å; Y252-R254 WeakPolarHBondContact OH-CG 3.29Å; Y252-P255 HydrophobicContact CD1-CG 3.95Å; Y252-P255 HydrophobicContact CE1-CG 4.27Å; Y252-P255 WeakPolarHBondContact O-CD 3.32Å; Y252-Y286 PolarHBondContact N-OH 3.47Å
253	Y	95.5	Very high	94.1	Very high	4 Å²	4	54.9 Å²	54.9	2%	0.016	26%	0.261	C	S	.	.			trans	-72.4	-23	-171.5	-177.5	-112.9	0	0	0	113.3	F239 D240 F256 M257 M260 Q283 Y286	F239-Y253 PolarHBondContact O-N 3.08Å; D240-Y253 HydrophobicContact CB-CD1 3.96Å; D240-Y253 HydrophobicContact CB-CG 4.29Å; Y253-F256 HydrophobicContact CD2-CD1 4.12Å; Y253-F256 AromaticContact CE2-CD1 3.42Å; Y253-F256 HydrophobicContact CE2-CD1 3.42Å; Y253-F256 VanDerWaalsContact CE2-CD1 3.42Å; Y253-F256 AromaticContact CE2-CE1 3.99Å; Y253-F256 HydrophobicContact CE2-CE1 3.99Å; Y253-F256 HydrophobicContact CE2-CG 4.41Å; Y253-F256 AromaticContact CZ-CD1 3.88Å; Y253-F256 WeakPolarHBondContact O-CB 3.47Å; Y253-F256 PolarHBondContact O-N 2.83Å; Y253-F256 VanDerWaalsContact O-N 3.1Å; Y253-M257 HydrophobicContact CD1-CB 4.17Å; Y253-M257 HydrophobicContact CE1-CB 3.91Å; Y253-M257 HydrophobicContact CE1-CG 4.39Å; Y253-M257 PolarHBondContact O-N 3.18Å; Y253-M257 VanDerWaalsContact O-N 3.13Å; Y253-M260 WeakPolarHBondContact OH-CE 3.49Å; Y253-Q283 HydrophobicContact CD1-CG 4.04Å; Y253-Q283 HydrophobicContact CE1-CB 3.85Å; Y253-Q283 HydrophobicContact CE1-CG 3.71Å; Y253-Q283 HydrophobicContact CE2-CB 4.42Å; Y253-Q283 PolarHBondContact OH-N 3.01Å; Y253-Y286 AromaticContact CD2-CD1 3.57Å; Y253-Y286 HydrophobicContact CD2-CD1 3.57Å; Y253-Y286 HydrophobicContact CD2-CE1 4.14Å; Y253-Y286 AromaticContact CD2-CG 3.83Å; Y253-Y286 HydrophobicContact CD2-CG 3.83Å; Y253-Y286 HydrophobicContact CE2-CD1 4.49Å; Y253-Y286 HydrophobicContact CE2-CG 4.39Å; Y253-Y286 HydrophobicContact CG-CD1 4.12Å; Y253-Y286 HydrophobicContact CG-CE1 4.5Å
254	R	93.1	Very high	94.1	Very high	37 Å²	37	60.3 Å²	60.3	14%	0.14	28%	0.278	C	S	.	.	H	α-helix	trans	-56.4	-42.5	-168.9	-178.6	60.6	-178	113.6	7.4	115.3	N242 Y252 F256 M257 N258	N242-R254 PolarHBondContact OD1-NE 3.33Å; N242-R254 PolarHBondContact OD1-NH2 2.66Å; Y252-R254 VanDerWaalsContact C-N 3.29Å; Y252-R254 HydrophobicContact CD1-CB 4.37Å; Y252-R254 HydrophobicContact CD2-CB 4.16Å; Y252-R254 HydrophobicContact CE1-CB 3.8Å; Y252-R254 HydrophobicContact CE1-CG 4.41Å; Y252-R254 HydrophobicContact CE2-CB 3.53Å; Y252-R254 HydrophobicContact CE2-CG 4.45Å; Y252-R254 PolarHBondContact O-N 3.07Å; Y252-R254 WeakPolarHBondContact OH-CB 2.96Å; Y252-R254 WeakPolarHBondContact OH-CG 3.29Å; R254-F256 VanDerWaalsContact C-N 3.31Å; R254-F256 PolarHBondContact O-N 3.17Å; R254-M257 PolarHBondContact O-N 2.89Å; R254-N258 VanDerWaalsContact CZ-ND2 3.29Å; R254-N258 PolarHBondContact NH1-ND2 3.43Å; R254-N258 PolarHBondContact NH1-OD1 3.16Å; R254-N258 PolarHBondContact NH2-ND2 2.78Å; R254-N258 PolarHBondContact NH2-OD1 3.48Å; R254-N258 PolarHBondContact O-N 3.23Å
255	P	93.5	Very high	94	Very high	65 Å²	65	59.2 Å²	59.2	42%	0.422	27%	0.273	S	S	.	.	H	α-helix	trans	-60.9	-39.3	177.5	-24.2	36.7	0	0	0	112.6	Y252 N258 R259	Y252-P255 HydrophobicContact CD1-CG 3.95Å; Y252-P255 HydrophobicContact CE1-CG 4.27Å; Y252-P255 WeakPolarHBondContact O-CD 3.32Å; P255-N258 WeakPolarHBondContact O-CB 3.37Å; P255-N258 PolarHBondContact O-N 2.94Å; P255-R259 PolarHBondContact O-N 3.36Å
256	F	94.8	Very high	94	Very high	6 Å²	6	51.6 Å²	51.6	3%	0.026	25%	0.245	C	C	.	.	H	α-helix	trans	-64.7	-47.1	176	-178.7	-103.3	0	0	0	111.4	F118 F136 H137 N138 Y253 R254 N258 R259 M260 Y282	F118-F256 HydrophobicContact CB-CD2 3.86Å; F118-F256 HydrophobicContact CD1-CB 3.62Å; F118-F256 AromaticContact CD1-CD2 3.7Å; F118-F256 HydrophobicContact CD1-CD2 3.7Å; F118-F256 AromaticContact CD1-CG 3.77Å; F118-F256 HydrophobicContact CD1-CG 3.77Å; F118-F256 HydrophobicContact CD2-CB 4Å; F118-F256 HydrophobicContact CE1-CB 3.73Å; F118-F256 HydrophobicContact CE1-CG 4.15Å; F118-F256 HydrophobicContact CE2-CB 4.1Å; F118-F256 HydrophobicContact CG-CB 3.77Å; F118-F256 AromaticContact CG-CD2 3.9Å; F118-F256 HydrophobicContact CG-CD2 3.9Å; F118-F256 HydrophobicContact CG-CG 4.17Å; F118-F256 HydrophobicContact CZ-CB 3.98Å; F136-F256 HydrophobicContact CB-CE2 3.82Å; F136-F256 HydrophobicContact CB-CZ 3.72Å; H137-F256 WeakPolarHBondContact O-CE2 3.3Å; N138-F256 HydrophobicContact CB-CE1 4.34Å; N138-F256 HydrophobicContact CB-CE2 4.28Å; N138-F256 HydrophobicContact CB-CZ 4.14Å; N138-F256 WeakPolarHBondContact ND2-CE1 3.49Å; Y253-F256 HydrophobicContact CD2-CD1 4.12Å; Y253-F256 AromaticContact CE2-CD1 3.42Å; Y253-F256 HydrophobicContact CE2-CD1 3.42Å; Y253-F256 VanDerWaalsContact CE2-CD1 3.42Å; Y253-F256 AromaticContact CE2-CE1 3.99Å; Y253-F256 HydrophobicContact CE2-CE1 3.99Å; Y253-F256 HydrophobicContact CE2-CG 4.41Å; Y253-F256 AromaticContact CZ-CD1 3.88Å; Y253-F256 WeakPolarHBondContact O-CB 3.47Å; Y253-F256 PolarHBondContact O-N 2.83Å; Y253-F256 VanDerWaalsContact O-N 3.1Å; R254-F256 VanDerWaalsContact C-N 3.31Å; R254-F256 PolarHBondContact O-N 3.17Å; F256-N258 VanDerWaalsContact C-N 3.32Å; F256-N258 PolarHBondContact O-N 3.17Å; F256-R259 PolarHBondContact O-N 3.16Å; F256-M260 HydrophobicContact CD1-CE 3.45Å; F256-M260 VanDerWaalsContact CD1-CE 3.45Å; F256-M260 HydrophobicContact CD1-CG 4.36Å; F256-M260 HydrophobicContact CD1-SD 3.91Å; F256-M260 HydrophobicContact CE1-CE 3.25Å; F256-M260 HydrophobicContact CE1-CG 4.08Å; F256-M260 HydrophobicContact CE1-SD 3.22Å; F256-M260 WeakPolarHBondContact CE1-SD 3.31Å; F256-M260 HydrophobicContact CE2-CG 4.43Å; F256-M260 HydrophobicContact CE2-SD 4.36Å; F256-M260 HydrophobicContact CG-CE 4.48Å; F256-M260 HydrophobicContact CZ-CE 4.16Å; F256-M260 HydrophobicContact CZ-CG 4.12Å; F256-M260 HydrophobicContact CZ-SD 3.5Å; F256-M260 VanDerWaalsContact CZ-SD 3.5Å; F256-M260 WeakPolarHBondContact O-CG 3.46Å; F256-M260 PolarHBondContact O-N 2.79Å; F256-Y282 HydrophobicContact CE1-CD1 4.31Å; F256-Y282 HydrophobicContact CZ-CD1 4.27Å
257	M	93.5	Very high	93.8	Very high	67 Å²	67	54.9 Å²	54.9	33%	0.33	25%	0.254	S	S	.	.	H	α-helix	trans	-57.2	-44.2	174.7	-172.4	-179.7	82.9	0	0	112	Y253 R254 M260 F261	Y253-M257 HydrophobicContact CD1-CB 4.17Å; Y253-M257 HydrophobicContact CE1-CB 3.91Å; Y253-M257 HydrophobicContact CE1-CG 4.39Å; Y253-M257 PolarHBondContact O-N 3.18Å; Y253-M257 VanDerWaalsContact O-N 3.13Å; R254-M257 PolarHBondContact O-N 2.89Å; M257-M260 PolarHBondContact O-N 3.45Å; M257-F261 VanDerWaalsContact O-CB 3.25Å; M257-F261 WeakPolarHBondContact O-CB 3.41Å; M257-F261 PolarHBondContact O-N 2.83Å
258	N	93.3	Very high	93.6	Very high	50 Å²	50	55.7 Å²	55.7	27%	0.267	25%	0.254	S	S	.	.	H	α-helix	trans	-58.3	-50.4	175.2	-98.3	-27.7	0	0	0	111.9	R254 P255 F256 M260 F261 Y262	R254-N258 VanDerWaalsContact CZ-ND2 3.29Å; R254-N258 PolarHBondContact NH1-ND2 3.43Å; R254-N258 PolarHBondContact NH1-OD1 3.16Å; R254-N258 PolarHBondContact NH2-ND2 2.78Å; R254-N258 PolarHBondContact NH2-OD1 3.48Å; R254-N258 PolarHBondContact O-N 3.23Å; P255-N258 WeakPolarHBondContact O-CB 3.37Å; P255-N258 PolarHBondContact O-N 2.94Å; F256-N258 VanDerWaalsContact C-N 3.32Å; F256-N258 PolarHBondContact O-N 3.17Å; N258-M260 VanDerWaalsContact C-N 3.32Å; N258-M260 PolarHBondContact O-N 3.17Å; N258-F261 PolarHBondContact O-N 3.07Å; N258-Y262 WeakPolarHBondContact O-CD2 3.28Å; N258-Y262 PolarHBondContact O-N 3.38Å; N258-Y262 VanDerWaalsContact O-N 3.16Å
259	R	94.5	Very high	93.5	Very high	109 Å²	109	55.6 Å²	55.6	41%	0.411	25%	0.254	S	S	.	.	H	α-helix	trans	-61.4	-42	-178.2	176.8	61.8	-164.9	101.1	-10.8	111.7	E120 F136 P255 F256 S263	E120-R259 IonicContact OE1-CZ 3.58Å; E120-R259 IonicContact OE1-NH2 2.7Å; E120-R259 PolarHBondContact OE1-NH2 2.62Å; E120-R259 IonicContact OE2-CZ 3.03Å; E120-R259 IonicContact OE2-NE 2.78Å; E120-R259 PolarHBondContact OE2-NE 3.2Å; E120-R259 IonicContact OE2-NH2 2.71Å; E120-R259 PolarHBondContact OE2-NH2 3.19Å; F136-R259 HydrophobicContact CE1-CG 3.85Å; P255-R259 PolarHBondContact O-N 3.36Å; F256-R259 PolarHBondContact O-N 3.16Å; R259-S263 PolarHBondContact O-N 3.31Å
260	M	94.1	Very high	93.3	Very high	3 Å²	3	59.8 Å²	59.8	2%	0.015	27%	0.271	C	S	.	.	H	α-helix	trans	-64.5	-47.9	175.2	-72.2	-165.8	-57.6	0	0	111.9	F136 Y253 F256 M257 N258 Y262 S263 H266 Y282	F136-M260 HydrophobicContact CB-CG 3.93Å; F136-M260 HydrophobicContact CB-SD 4.01Å; F136-M260 HydrophobicContact CD1-CG 3.98Å; F136-M260 HydrophobicContact CD2-CG 3.95Å; F136-M260 HydrophobicContact CG-CG 3.67Å; F136-M260 HydrophobicContact CG-SD 4.35Å; Y253-M260 WeakPolarHBondContact OH-CE 3.49Å; F256-M260 HydrophobicContact CD1-CE 3.45Å; F256-M260 VanDerWaalsContact CD1-CE 3.45Å; F256-M260 HydrophobicContact CD1-CG 4.36Å; F256-M260 HydrophobicContact CD1-SD 3.91Å; F256-M260 HydrophobicContact CE1-CE 3.25Å; F256-M260 HydrophobicContact CE1-CG 4.08Å; F256-M260 HydrophobicContact CE1-SD 3.22Å; F256-M260 WeakPolarHBondContact CE1-SD 3.31Å; F256-M260 HydrophobicContact CE2-CG 4.43Å; F256-M260 HydrophobicContact CE2-SD 4.36Å; F256-M260 HydrophobicContact CG-CE 4.48Å; F256-M260 HydrophobicContact CZ-CE 4.16Å; F256-M260 HydrophobicContact CZ-CG 4.12Å; F256-M260 HydrophobicContact CZ-SD 3.5Å; F256-M260 VanDerWaalsContact CZ-SD 3.5Å; F256-M260 WeakPolarHBondContact O-CG 3.46Å; F256-M260 PolarHBondContact O-N 2.79Å; M257-M260 PolarHBondContact O-N 3.45Å; N258-M260 VanDerWaalsContact C-N 3.32Å; N258-M260 PolarHBondContact O-N 3.17Å; M260-Y262 VanDerWaalsContact C-N 3.31Å; M260-Y262 PolarHBondContact O-N 3.31Å; M260-S263 WeakPolarHBondContact O-CB 3.17Å; M260-S263 PolarHBondContact O-N 2.91Å; M260-S263 PolarHBondContact O-OG 3.03Å; M260-H266 WeakPolarHBondContact O-CB 3.25Å; M260-Y282 HydrophobicContact CE-CG 4.41Å; M260-Y282 HydrophobicContact SD-CD1 4.04Å; M260-Y282 HydrophobicContact SD-CD2 4.42Å; M260-Y282 HydrophobicContact SD-CE1 4.45Å; M260-Y282 HydrophobicContact SD-CG 4.02Å
261	F	92.9	Very high	93.2	Very high	104 Å²	104	63.1 Å²	63.1	46%	0.456	29%	0.285	S	S	.	.	H	α-helix	trans	-60	-39	-175.7	-176.6	-97.4	0	0	0	112.9	M257 N258 S263 H266	M257-F261 VanDerWaalsContact O-CB 3.25Å; M257-F261 WeakPolarHBondContact O-CB 3.41Å; M257-F261 PolarHBondContact O-N 2.83Å; N258-F261 PolarHBondContact O-N 3.07Å; F261-S263 VanDerWaalsContact C-N 3.33Å; F261-H266 AromaticContact CD2-CE1 3.48Å; F261-H266 VanDerWaalsContact CD2-CE1 3.48Å; F261-H266 WeakPolarHBondContact CD2-CE1 3.38Å; F261-H266 AromaticContact CE2-CE1 3.69Å; F261-H266 PolarHBondContact O-ND1 3.35Å
262	Y	93.9	Very high	93.1	Very high	163 Å²	163	63.1 Å²	63.1	64%	0.639	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	7.5	176.7	-63	-66.9	0	0	0	113.9	N258 M260	N258-Y262 WeakPolarHBondContact O-CD2 3.28Å; N258-Y262 PolarHBondContact O-N 3.38Å; N258-Y262 VanDerWaalsContact O-N 3.16Å; M260-Y262 VanDerWaalsContact C-N 3.31Å; M260-Y262 PolarHBondContact O-N 3.31Å
263	S	93.3	Very high	93	Very high	4 Å²	4	62 Å²	62	3%	0.028	28%	0.281	C	S	.	.	S	Bend	trans	-76.7	149.7	178.4	74.5	0	0	0	0	112.6	F136 R259 M260 F261 L265 H266 L267	F136-S263 VanDerWaalsContact CZ-CB 3.44Å; R259-S263 PolarHBondContact O-N 3.31Å; M260-S263 WeakPolarHBondContact O-CB 3.17Å; M260-S263 PolarHBondContact O-N 2.91Å; M260-S263 PolarHBondContact O-OG 3.03Å; F261-S263 VanDerWaalsContact C-N 3.33Å; S263-L265 PolarHBondContact O-N 2.91Å; S263-H266 PolarHBondContact O-N 3.11Å; S263-H266 WeakPolarHBondContact OG-CB 3.24Å; S263-H266 PolarHBondContact OG-N 3.04Å; S263-H266 VanDerWaalsContact OG-N 3.08Å; S263-L267 WeakPolarHBondContact O-CG 3.38Å; S263-L267 PolarHBondContact O-N 3.23Å
264	F	89.8	Confident	92.9	Very high	142 Å²	142	61.8 Å²	61.8	62%	0.623	28%	0.28	S	S	*	.	H	α-helix	trans	-60.7	-31.5	172.3	-171.8	-107.5	0	0	0	112.4	R268	F264-R268 HydrophobicContact CE1-CG 4.3Å; F264-R268 HydrophobicContact CZ-CG 4.31Å; F264-R268 WeakPolarHBondContact O-CG 3.32Å; F264-R268 PolarHBondContact O-N 3.41Å
265	L	91.5	Very high	92.9	Very high	3 Å²	3	60.2 Å²	60.2	2%	0.016	28%	0.275	C	S	.	.	H	α-helix	trans	-60.9	-51.7	174.7	-178.1	63.5	0	0	0	110.9	F83 T134 F136 S263 R268 S269 V274	F83-L265 HydrophobicContact CD1-CD1 3.93Å; F83-L265 HydrophobicContact CE1-CD1 4.39Å; T134-L265 WeakPolarHBondContact O-CD2 3.41Å; F136-L265 HydrophobicContact CD2-CD2 4.24Å; F136-L265 HydrophobicContact CE2-CB 4.42Å; F136-L265 HydrophobicContact CE2-CD2 4.22Å; S263-L265 PolarHBondContact O-N 2.91Å; L265-R268 PolarHBondContact O-N 3.4Å; L265-S269 WeakPolarHBondContact O-CB 3.18Å; L265-S269 PolarHBondContact O-N 3.12Å; L265-S269 VanDerWaalsContact O-N 3.08Å; L265-S269 PolarHBondContact O-OG 3.09Å; L265-V274 HydrophobicContact CD2-CG1 3.72Å; L265-V274 HydrophobicContact CG-CG1 4.04Å
266	H	93.5	Very high	92.8	Very high	32 Å²	32	58.7 Å²	58.7	15%	0.148	26%	0.263	C	S	.	.	H	α-helix	trans	-62.4	-44.7	177.7	175.1	-106.6	0	0	0	111.9	M260 F261 S263 R268 S269 V274	M260-H266 WeakPolarHBondContact O-CB 3.25Å; F261-H266 AromaticContact CD2-CE1 3.48Å; F261-H266 VanDerWaalsContact CD2-CE1 3.48Å; F261-H266 WeakPolarHBondContact CD2-CE1 3.38Å; F261-H266 AromaticContact CE2-CE1 3.69Å; F261-H266 PolarHBondContact O-ND1 3.35Å; S263-H266 PolarHBondContact O-N 3.11Å; S263-H266 WeakPolarHBondContact OG-CB 3.24Å; S263-H266 PolarHBondContact OG-N 3.04Å; S263-H266 VanDerWaalsContact OG-N 3.08Å; H266-R268 PolarHBondContact O-N 3.42Å; H266-R268 VanDerWaalsContact O-N 3.09Å; H266-S269 WeakPolarHBondContact O-CB 3.26Å; H266-S269 PolarHBondContact O-N 2.92Å; H266-V274 HydrophobicContact CB-CG2 4.28Å
267	L	91	Very high	92.8	Very high	130 Å²	130	60.5 Å²	60.5	68%	0.681	27%	0.273	S	S	*	.	H	α-helix	trans	-57.4	-27.6	178.3	-71.2	172.3	0	0	0	113.9	S263	S263-L267 WeakPolarHBondContact O-CG 3.38Å; S263-L267 PolarHBondContact O-N 3.23Å
268	R	90.5	Very high	92.9	Very high	141 Å²	141	58 Å²	58	53%	0.532	26%	0.262	S	S	.	.	H	α-helix	trans	-97.5	-7.3	177.3	-68.1	-179.1	63.9	102.9	-5.1	113.9	F83 F264 L265 H266	F83-R268 HydrophobicContact CE2-CB 4.21Å; F83-R268 HydrophobicContact CZ-CB 4.26Å; F264-R268 HydrophobicContact CE1-CG 4.3Å; F264-R268 HydrophobicContact CZ-CG 4.31Å; F264-R268 WeakPolarHBondContact O-CG 3.32Å; F264-R268 PolarHBondContact O-N 3.41Å; L265-R268 PolarHBondContact O-N 3.4Å; H266-R268 PolarHBondContact O-N 3.42Å; H266-R268 VanDerWaalsContact O-N 3.09Å
269	S	93.7	Very high	92.9	Very high	23 Å²	23	56.4 Å²	56.4	16%	0.161	25%	0.254	C	S	.	.	S	Bend	trans	-76.9	159.2	-179.3	-64.4	0	0	0	0	110.7	L265 H266 C273 G275	L265-S269 WeakPolarHBondContact O-CB 3.18Å; L265-S269 PolarHBondContact O-N 3.12Å; L265-S269 VanDerWaalsContact O-N 3.08Å; L265-S269 PolarHBondContact O-OG 3.09Å; H266-S269 WeakPolarHBondContact O-CB 3.26Å; H266-S269 PolarHBondContact O-N 2.92Å; S269-C273 WeakPolarHBondContact CB-O 3.27Å; S269-G275 PolarHBondContact OG-N 3.22Å
270	K	91.8	Very high	93	Very high	95 Å²	95	51.5 Å²	51.5	41%	0.413	24%	0.236	S	C	.	.			trans	-66.3	149.7	168.9	-178.8	-179.8	167.9	-173.8	0	108.8	I79 L272 C273	I79-K270 WeakPolarHBondContact O-CD 3.22Å; I79-K270 PolarHBondContact O-NZ 3.29Å; K270-L272 PolarHBondContact O-N 2.99Å; K270-C273 HydrophobicContact CB-CB 4.49Å; K270-C273 VanDerWaalsContact O-CB 3.32Å; K270-C273 WeakPolarHBondContact O-CB 3.23Å; K270-C273 PolarHBondContact O-N 3.28Å
271	H	91.6	Very high	93.1	Very high	118 Å²	118	52.6 Å²	52.6	55%	0.546	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-43.5	131.9	169.1	-175	57	0	0	0	111.5	C273 Q316	H271-C273 VanDerWaalsContact C-N 3.33Å; H271-Q316 PolarHBondContact NE2-NE2 2.96Å
272	L	93.5	Very high	93.2	Very high	5 Å²	5	48.3 Å²	48.3	3%	0.026	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.4	12.3	-174.3	-52.4	166.5	0	0	0	116.5	L78 K270 P278 T279 E308 I309 Q316 L319	L78-L272 HydrophobicContact CD1-CB 4.32Å; L78-L272 HydrophobicContact CD2-CB 3.78Å; L78-L272 HydrophobicContact CD2-CD1 4.44Å; K270-L272 PolarHBondContact O-N 2.99Å; L272-P278 CarbonylContact O-C 3.54Å; L272-P278 WeakPolarHBondContact O-CA 3.35Å; L272-T279 PolarHBondContact O-N 2.95Å; L272-T279 PolarHBondContact O-OG1 3.12Å; L272-E308 HydrophobicContact CD2-CG 3.82Å; L272-I309 HydrophobicContact CB-CD1 4.46Å; L272-I309 HydrophobicContact CD1-CD1 3.53Å; L272-I309 HydrophobicContact CD2-CD1 3.94Å; L272-I309 HydrophobicContact CG-CD1 4.16Å; L272-Q316 HydrophobicContact CD1-CG 4.1Å; L272-L319 HydrophobicContact CD1-CD1 3.77Å
273	C	94.6	Very high	93.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	151.8	178.2	-59	0	0	0	0	111.6	C80 S269 K270 H271 N277	C80-C273 WeakPolarHBondContact CA-SG 3.3Å; C80-C273 HydrophobicContact CB-CB 3.79Å; C80-C273 WeakPolarHBondContact CB-SG 3.47Å; C80-C273 WeakPolarHBondContact SG-CB 3.25Å; C80-C273 CovalentContact SG-SG 2.04Å; C80-C273 PolarHBondContact SG-SG 3.46Å; S269-C273 WeakPolarHBondContact CB-O 3.27Å; K270-C273 HydrophobicContact CB-CB 4.49Å; K270-C273 VanDerWaalsContact O-CB 3.32Å; K270-C273 WeakPolarHBondContact O-CB 3.23Å; K270-C273 PolarHBondContact O-N 3.28Å; H271-C273 VanDerWaalsContact C-N 3.33Å; C273-N277 WeakPolarHBondContact CA-O 3.43Å
274	V	93.5	Very high	93.5	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	112.5	159.9	179.2	0	0	0	0	107.2	F136 L265 H266 N276 N277 T279 Y282	F136-V274 HydrophobicContact CD2-CG1 4.31Å; L265-V274 HydrophobicContact CD2-CG1 3.72Å; L265-V274 HydrophobicContact CG-CG1 4.04Å; H266-V274 HydrophobicContact CB-CG2 4.28Å; V274-N276 PolarHBondContact O-N 3.48Å; V274-N276 VanDerWaalsContact O-N 3.17Å; V274-N277 PolarHBondContact N-O 3.44Å; V274-N277 PolarHBondContact O-N 2.82Å; V274-N277 VanDerWaalsContact O-N 3.16Å; V274-T279 HydrophobicContact CG2-CG2 4.33Å; V274-Y282 HydrophobicContact CB-CE2 3.82Å; V274-Y282 HydrophobicContact CG1-CE2 4.47Å; V274-Y282 PolarHBondContact O-OH 3.3Å
275	G	91.6	Very high	93.8	Very high	3 Å²	3	37.1 Å²	37.1	3%	0.031	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	-118.9	-170.7	0	0	0	0	0	111.1	S269	S269-G275 PolarHBondContact OG-N 3.22Å
276	N	92.8	Very high	94	Very high	33 Å²	33	37 Å²	37	18%	0.176	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-3.9	-175.7	-55.3	-19.5	0	0	0	113.4	C80 K81 R82 F83 Q84 E86 V274	C80-N276 VanDerWaalsContact CB-O 3.3Å; C80-N276 WeakPolarHBondContact CB-O 3.18Å; K81-N276 PolarHBondContact O-OD1 3.42Å; R82-N276 VanDerWaalsContact CA-OD1 3.23Å; R82-N276 WeakPolarHBondContact CA-OD1 3.49Å; F83-N276 PolarHBondContact N-OD1 2.9Å; Q84-N276 PolarHBondContact O-ND2 3.28Å; E86-N276 WeakPolarHBondContact OE1-CB 3.05Å; E86-N276 PolarHBondContact OE1-ND2 3.47Å; V274-N276 PolarHBondContact O-N 3.48Å; V274-N276 VanDerWaalsContact O-N 3.17Å
277	N	93.4	Very high	94.1	Very high	44 Å²	44	35.6 Å²	35.6	24%	0.235	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	136.5	-167.2	-163.7	-2.5	0	0	0	110.6	C80 C273 V274 T279 N281 Y282	C80-N277 VanDerWaalsContact SG-C 3.56Å; C273-N277 WeakPolarHBondContact CA-O 3.43Å; V274-N277 PolarHBondContact N-O 3.44Å; V274-N277 PolarHBondContact O-N 2.82Å; V274-N277 VanDerWaalsContact O-N 3.16Å; N277-T279 PolarHBondContact O-N 3.31Å; N277-N281 VanDerWaalsContact OD1-CB 3.24Å; N277-N281 WeakPolarHBondContact OD1-CB 3.49Å; N277-N281 PolarHBondContact OD1-ND2 2.89Å; N277-N281 VanDerWaalsContact OD1-ND2 3.14Å; N277-Y282 HydrophobicContact CB-CE2 3.71Å
278	P	95.2	Very high	94.3	Very high	14 Å²	14	31 Å²	31	9%	0.091	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	138.9	169.8	-29.3	35	0	0	0	112.6	L78 C80 L272 H280 N281	L78-P278 HydrophobicContact CD2-CB 3.86Å; L78-P278 HydrophobicContact CD2-CG 3.94Å; L78-P278 HydrophobicContact CG-CG 4.45Å; C80-P278 VanDerWaalsContact SG-CD 3.54Å; C80-P278 VanDerWaalsContact SG-N 3.41Å; L272-P278 CarbonylContact O-C 3.54Å; L272-P278 WeakPolarHBondContact O-CA 3.35Å; P278-H280 VanDerWaalsContact C-N 3.28Å; P278-H280 WeakPolarHBondContact CB-CE1 3.36Å; P278-H280 PolarHBondContact O-N 3.1Å; P278-N281 WeakPolarHBondContact O-CB 3.47Å; P278-N281 PolarHBondContact O-N 3.45Å; P278-N281 VanDerWaalsContact O-N 3.09Å
279	T	95	Very high	94.4	Very high	17 Å²	17	25.1 Å²	25.1	10%	0.104	13%	0.126	C	C	.	.	H	α-helix	trans	-58.5	-40.4	-175.8	-51.5	0	0	0	0	111.9	L272 V274 N277 N281 Y282 E308	L272-T279 PolarHBondContact O-N 2.95Å; L272-T279 PolarHBondContact O-OG1 3.12Å; V274-T279 HydrophobicContact CG2-CG2 4.33Å; N277-T279 PolarHBondContact O-N 3.31Å; T279-N281 PolarHBondContact O-N 3.31Å; T279-Y282 PolarHBondContact O-N 3.46Å; T279-E308 VanDerWaalsContact CB-OE2 3.26Å; T279-E308 WeakPolarHBondContact CB-OE2 3.3Å; T279-E308 VanDerWaalsContact CG2-OE2 3.23Å; T279-E308 WeakPolarHBondContact CG2-OE2 3.02Å
280	H	95.6	Very high	94.4	Very high	7 Å²	7	24 Å²	24	3%	0.032	12%	0.118	C	C	.	.	H	α-helix	trans	-61.8	-29.7	179.9	61	-93.6	0	0	0	112.8	P278 Y282 Q283 L284 D323 F324	P278-H280 VanDerWaalsContact C-N 3.28Å; P278-H280 WeakPolarHBondContact CB-CE1 3.36Å; P278-H280 PolarHBondContact O-N 3.1Å; H280-Y282 VanDerWaalsContact C-N 3.27Å; H280-Y282 PolarHBondContact O-N 2.88Å; H280-Q283 WeakPolarHBondContact O-CB 3.26Å; H280-Q283 PolarHBondContact O-N 3.02Å; H280-L284 WeakPolarHBondContact O-CG 3.26Å; H280-L284 PolarHBondContact O-N 3.22Å; H280-D323 IonicContact CD2-OD2 3.79Å; H280-D323 IonicContact CE1-OD2 3.62Å; H280-D323 PolarHBondContact CE1-OD2 2.78Å; H280-D323 IonicContact NE2-OD2 3.74Å; H280-D323 PolarHBondContact NE2-OD2 2.99Å; H280-F324 HydrophobicContact CB-CE1 4.48Å; H280-F324 AromaticContact CD2-CE1 3.99Å
281	N	96	Very high	94.4	Very high	26 Å²	26	19.5 Å²	19.5	14%	0.139	10%	0.098	C	C	.	.	H	α-helix	trans	-66.1	-29.3	-179.7	-75.6	-20	0	0	0	112.8	N277 P278 T279 Q283 N285 D323	N277-N281 VanDerWaalsContact OD1-CB 3.24Å; N277-N281 WeakPolarHBondContact OD1-CB 3.49Å; N277-N281 PolarHBondContact OD1-ND2 2.89Å; N277-N281 VanDerWaalsContact OD1-ND2 3.14Å; P278-N281 WeakPolarHBondContact O-CB 3.47Å; P278-N281 PolarHBondContact O-N 3.45Å; P278-N281 VanDerWaalsContact O-N 3.09Å; T279-N281 PolarHBondContact O-N 3.31Å; N281-Q283 VanDerWaalsContact C-N 3.3Å; N281-Q283 PolarHBondContact O-N 3.5Å; N281-N285 WeakPolarHBondContact O-CB 3.49Å; N281-N285 VanDerWaalsContact O-CG 3.28Å; N281-N285 PolarHBondContact O-N 3.28Å; N281-N285 PolarHBondContact O-ND2 2.7Å; N281-D323 PolarHBondContact ND2-OD2 3.47Å; N281-D323 PolarHBondContact OD1-OD2 3.36Å
282	Y	95.8	Very high	94.4	Very high	13 Å²	13	15.6 Å²	15.6	5%	0.051	8%	0.079	C	C	.	.	H	α-helix	trans	-63.9	-38.4	172.7	-69.6	-86.8	0	0	0	111.8	F136 N138 F256 M260 V274 N277 T279 H280 Y286	F136-Y282 WeakPolarHBondContact O-CE1 3.21Å; N138-Y282 PolarHBondContact ND2-O 2.96Å; F256-Y282 HydrophobicContact CE1-CD1 4.31Å; F256-Y282 HydrophobicContact CZ-CD1 4.27Å; M260-Y282 HydrophobicContact CE-CG 4.41Å; M260-Y282 HydrophobicContact SD-CD1 4.04Å; M260-Y282 HydrophobicContact SD-CD2 4.42Å; M260-Y282 HydrophobicContact SD-CE1 4.45Å; M260-Y282 HydrophobicContact SD-CG 4.02Å; V274-Y282 HydrophobicContact CB-CE2 3.82Å; V274-Y282 HydrophobicContact CG1-CE2 4.47Å; V274-Y282 PolarHBondContact O-OH 3.3Å; N277-Y282 HydrophobicContact CB-CE2 3.71Å; T279-Y282 PolarHBondContact O-N 3.46Å; H280-Y282 VanDerWaalsContact C-N 3.27Å; H280-Y282 PolarHBondContact O-N 2.88Å; Y282-Y286 PolarHBondContact O-N 3.05Å; Y282-Y286 VanDerWaalsContact O-N 3.15Å
283	Q	95.9	Very high	94.1	Very high	20 Å²	20	15.9 Å²	15.9	9%	0.093	8%	0.08	C	C	.	.	H	α-helix	trans	-72.8	-43.9	177.8	-166.6	178.1	3.6	0	0	111.1	D240 Y253 H280 N281 N285 Y286 V287 N304 W305	D240-Q283 PolarHBondContact OD2-NE2 3.43Å; Y253-Q283 HydrophobicContact CD1-CG 4.04Å; Y253-Q283 HydrophobicContact CE1-CB 3.85Å; Y253-Q283 HydrophobicContact CE1-CG 3.71Å; Y253-Q283 HydrophobicContact CE2-CB 4.42Å; Y253-Q283 PolarHBondContact OH-N 3.01Å; H280-Q283 WeakPolarHBondContact O-CB 3.26Å; H280-Q283 PolarHBondContact O-N 3.02Å; N281-Q283 VanDerWaalsContact C-N 3.3Å; N281-Q283 PolarHBondContact O-N 3.5Å; Q283-N285 VanDerWaalsContact C-N 3.31Å; Q283-N285 PolarHBondContact O-N 3.13Å; Q283-Y286 WeakPolarHBondContact O-CB 3.36Å; Q283-Y286 PolarHBondContact O-N 3.46Å; Q283-V287 WeakPolarHBondContact O-CG2 3.47Å; Q283-V287 PolarHBondContact O-N 3.38Å; Q283-N304 VanDerWaalsContact CD-ND2 3.32Å; Q283-N304 VanDerWaalsContact CG-ND2 3.33Å; Q283-N304 WeakPolarHBondContact CG-ND2 3.32Å; Q283-N304 PolarHBondContact NE2-ND2 2.88Å; Q283-W305 PolarHBondContact NE2-O 2.77Å
284	L	97	Very high	93.8	Very high	5 Å²	5	16 Å²	16	3%	0.026	8%	0.08	C	C	.	.	H	α-helix	trans	-58.1	-43.5	173.5	-64	-179.5	0	0	0	111.7	F152 H280 Y286 V287 K288 D323 F324 F327	F152-L284 HydrophobicContact CE2-CD2 3.54Å; F152-L284 HydrophobicContact CZ-CD2 3.7Å; H280-L284 WeakPolarHBondContact O-CG 3.26Å; H280-L284 PolarHBondContact O-N 3.22Å; L284-Y286 VanDerWaalsContact C-N 3.34Å; L284-Y286 PolarHBondContact O-N 2.82Å; L284-V287 PolarHBondContact O-N 3.24Å; L284-K288 WeakPolarHBondContact O-CB 3.42Å; L284-K288 PolarHBondContact O-N 3.01Å; L284-D323 HydrophobicContact CD1-CB 4.42Å; L284-F324 HydrophobicContact CD1-CD1 3.7Å; L284-F324 HydrophobicContact CD1-CE1 3.92Å; L284-F324 HydrophobicContact CD2-CD1 4.03Å; L284-F324 HydrophobicContact CD2-CE1 3.98Å; L284-F324 HydrophobicContact CG-CD1 4.4Å; L284-F324 HydrophobicContact CG-CE1 4.3Å; L284-F327 HydrophobicContact CB-CD2 3.85Å; L284-F327 HydrophobicContact CB-CE2 4.28Å; L284-F327 HydrophobicContact CB-CG 4.31Å; L284-F327 HydrophobicContact CD1-CB 4.08Å; L284-F327 HydrophobicContact CD1-CG 4.43Å; L284-F327 HydrophobicContact CD2-CB 4.45Å; L284-F327 HydrophobicContact CD2-CD1 4.06Å; L284-F327 HydrophobicContact CD2-CD2 4.19Å; L284-F327 HydrophobicContact CD2-CE1 4.34Å; L284-F327 HydrophobicContact CD2-CE2 4.45Å; L284-F327 HydrophobicContact CD2-CG 3.97Å; L284-F327 HydrophobicContact CG-CD2 4.47Å; L284-F327 HydrophobicContact CG-CG 4.46Å; L284-F327 VanDerWaalsContact O-CE2 3.25Å; L284-F327 WeakPolarHBondContact O-CE2 3.32Å
285	N	96	Very high	93.5	Very high	49 Å²	49	17.9 Å²	17.9	26%	0.262	9%	0.09	S	C	.	.	H	α-helix	trans	-62.2	-41.6	176.8	-78.9	-29.7	0	0	0	111.6	N281 Q283 V287 K288 H289	N281-N285 WeakPolarHBondContact O-CB 3.49Å; N281-N285 VanDerWaalsContact O-CG 3.28Å; N281-N285 PolarHBondContact O-N 3.28Å; N281-N285 PolarHBondContact O-ND2 2.7Å; Q283-N285 VanDerWaalsContact C-N 3.31Å; Q283-N285 PolarHBondContact O-N 3.13Å; N285-V287 PolarHBondContact O-N 3.3Å; N285-K288 PolarHBondContact O-N 3.4Å; N285-K288 VanDerWaalsContact OD1-CE 3.31Å; N285-K288 WeakPolarHBondContact OD1-CE 3.43Å; N285-K288 PolarHBondContact OD1-NZ 3.09Å; N285-H289 WeakPolarHBondContact O-CB 3.39Å; N285-H289 PolarHBondContact O-CD2 3.29Å; N285-H289 PolarHBondContact O-N 2.89Å
286	Y	96.1	Very high	92.7	Very high	2 Å²	2	21 Å²	21	1%	0.008	12%	0.122	C	C	.	.	H	α-helix	trans	-60.1	-45.5	176.1	-168.3	-120.8	0	0	0	111.9	E117 F118 N138 I140 L238 H251 Y252 Y253 Y282 Q283 L284 H289 F290	E117-Y286 PolarHBondContact OE2-OH 2.94Å; F118-Y286 HydrophobicContact CD1-CE2 4.46Å; F118-Y286 HydrophobicContact CE1-CD2 4.05Å; F118-Y286 AromaticContact CE1-CE2 3.45Å; F118-Y286 HydrophobicContact CE1-CE2 3.45Å; F118-Y286 VanDerWaalsContact CE1-CE2 3.45Å; F118-Y286 AromaticContact CE1-CZ 3.73Å; F118-Y286 HydrophobicContact CZ-CE1 4.49Å; F118-Y286 AromaticContact CZ-CE2 3.97Å; F118-Y286 HydrophobicContact CZ-CE2 3.97Å; F118-Y286 AromaticContact CZ-CZ 3.75Å; F118-Y286 WeakPolarHBondContact CZ-OH 3.5Å; N138-Y286 HydrophobicContact CB-CD2 3.96Å; N138-Y286 WeakPolarHBondContact OD1-CA 3.28Å; N138-Y286 PolarHBondContact OD1-N 2.94Å; I140-Y286 HydrophobicContact CD1-CD2 3.95Å; I140-Y286 HydrophobicContact CD1-CE1 4.26Å; I140-Y286 HydrophobicContact CD1-CE2 3.33Å; I140-Y286 HydrophobicContact CG1-CD2 4.31Å; I140-Y286 HydrophobicContact CG1-CE2 4.06Å; L238-Y286 HydrophobicContact CD1-CD1 3.82Å; L238-Y286 HydrophobicContact CD1-CE1 3.76Å; L238-Y286 HydrophobicContact CG-CE1 4.27Å; H251-Y286 HydrophobicContact CB-CE1 4.22Å; H251-Y286 WeakPolarHBondContact CB-OH 3.22Å; Y252-Y286 PolarHBondContact N-OH 3.47Å; Y253-Y286 AromaticContact CD2-CD1 3.57Å; Y253-Y286 HydrophobicContact CD2-CD1 3.57Å; Y253-Y286 HydrophobicContact CD2-CE1 4.14Å; Y253-Y286 AromaticContact CD2-CG 3.83Å; Y253-Y286 HydrophobicContact CD2-CG 3.83Å; Y253-Y286 HydrophobicContact CE2-CD1 4.49Å; Y253-Y286 HydrophobicContact CE2-CG 4.39Å; Y253-Y286 HydrophobicContact CG-CD1 4.12Å; Y253-Y286 HydrophobicContact CG-CE1 4.5Å; Y282-Y286 PolarHBondContact O-N 3.05Å; Y282-Y286 VanDerWaalsContact O-N 3.15Å; Q283-Y286 WeakPolarHBondContact O-CB 3.36Å; Q283-Y286 PolarHBondContact O-N 3.46Å; L284-Y286 VanDerWaalsContact C-N 3.34Å; L284-Y286 PolarHBondContact O-N 2.82Å; Y286-H289 PolarHBondContact O-N 3.25Å; Y286-F290 WeakPolarHBondContact O-CB 3.35Å; Y286-F290 PolarHBondContact O-N 2.89Å
287	V	95.5	Very high	92	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.006	14%	0.137	C	C	.	.	H	α-helix	trans	-64.5	-41.5	175.9	-179.2	0	0	0	0	111.7	L150 L238 Q283 L284 N285 F290 L291 N304 F327	L150-V287 HydrophobicContact CD1-CG1 3.86Å; L150-V287 HydrophobicContact CD2-CG1 4.2Å; L238-V287 HydrophobicContact CD2-CG2 4.45Å; Q283-V287 WeakPolarHBondContact O-CG2 3.47Å; Q283-V287 PolarHBondContact O-N 3.38Å; L284-V287 PolarHBondContact O-N 3.24Å; N285-V287 PolarHBondContact O-N 3.3Å; V287-F290 WeakPolarHBondContact O-CB 3.47Å; V287-F290 PolarHBondContact O-N 3.35Å; V287-L291 HydrophobicContact CG1-CD1 4.23Å; V287-L291 HydrophobicContact CG1-CG 4.49Å; V287-L291 WeakPolarHBondContact O-CG 3.3Å; V287-L291 PolarHBondContact O-N 3.49Å; V287-N304 HydrophobicContact CG2-CB 3.88Å; V287-F327 HydrophobicContact CB-CE2 4.25Å; V287-F327 HydrophobicContact CB-CZ 4.08Å; V287-F327 HydrophobicContact CG1-CE2 4.35Å; V287-F327 HydrophobicContact CG1-CZ 3.77Å
288	K	95.3	Very high	91.5	Very high	34 Å²	34	24.4 Å²	24.4	15%	0.148	13%	0.13	C	C	.	.	H	α-helix	trans	-60.9	-47.3	175.8	176	174.9	60.8	-176	0	111.3	L284 N285 F290 L291 R292 F327 Q330 I331 Y334	L284-K288 WeakPolarHBondContact O-CB 3.42Å; L284-K288 PolarHBondContact O-N 3.01Å; N285-K288 PolarHBondContact O-N 3.4Å; N285-K288 VanDerWaalsContact OD1-CE 3.31Å; N285-K288 WeakPolarHBondContact OD1-CE 3.43Å; N285-K288 PolarHBondContact OD1-NZ 3.09Å; K288-F290 VanDerWaalsContact C-N 3.27Å; K288-F290 PolarHBondContact O-N 2.9Å; K288-L291 PolarHBondContact O-N 2.89Å; K288-R292 VanDerWaalsContact O-CB 3.3Å; K288-R292 WeakPolarHBondContact O-CB 3.34Å; K288-R292 PolarHBondContact O-N 3.29Å; K288-F327 HydrophobicContact CB-CD2 4.4Å; K288-F327 HydrophobicContact CB-CE2 3.99Å; K288-Q330 HydrophobicContact CD-CB 4.33Å; K288-I331 HydrophobicContact CB-CG2 4.04Å; K288-I331 HydrophobicContact CG-CG2 4.06Å; K288-Y334 HydrophobicContact CG-CE2 4.26Å
289	H	93.1	Very high	91.2	Very high	18 Å²	18	23.8 Å²	23.8	8%	0.083	13%	0.126	C	C	.	.	H	α-helix	trans	-61.2	-39.2	176.2	-73.3	-57.3	0	0	0	111.3	I140 N285 Y286 R292 Q293	I140-H289 HydrophobicContact CB-CB 4.44Å; I140-H289 HydrophobicContact CG1-CB 3.98Å; N285-H289 WeakPolarHBondContact O-CB 3.39Å; N285-H289 PolarHBondContact O-CD2 3.29Å; N285-H289 PolarHBondContact O-N 2.89Å; Y286-H289 PolarHBondContact O-N 3.25Å; H289-R292 PolarHBondContact CE1-NH2 3.13Å; H289-R292 VanDerWaalsContact CE1-NH2 3.33Å; H289-R292 PolarHBondContact ND1-NH2 3.33Å; H289-R292 PolarHBondContact O-N 3.34Å; H289-Q293 WeakPolarHBondContact O-CB 3.37Å; H289-Q293 VanDerWaalsContact O-CG 3.27Å; H289-Q293 WeakPolarHBondContact O-CG 3.47Å; H289-Q293 PolarHBondContact O-N 2.97Å
290	F	93	Very high	91	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-60.5	-54.3	177.3	171.2	-110	0	0	0	111.1	I140 A236 L238 H251 Y286 V287 K288 R292 Q293 Y294 V300	I140-F290 HydrophobicContact CD1-CB 3.99Å; I140-F290 HydrophobicContact CD1-CD2 4.28Å; I140-F290 HydrophobicContact CG1-CB 3.94Å; A236-F290 HydrophobicContact CB-CE2 4.04Å; A236-F290 HydrophobicContact CB-CZ 4.43Å; L238-F290 HydrophobicContact CB-CD1 4.11Å; L238-F290 HydrophobicContact CB-CD2 4.16Å; L238-F290 HydrophobicContact CB-CE1 3.76Å; L238-F290 HydrophobicContact CB-CE2 3.89Å; L238-F290 HydrophobicContact CB-CG 4.27Å; L238-F290 HydrophobicContact CB-CZ 3.64Å; L238-F290 HydrophobicContact CD1-CB 3.67Å; L238-F290 HydrophobicContact CD1-CD1 3.78Å; L238-F290 HydrophobicContact CD1-CD2 3.92Å; L238-F290 HydrophobicContact CD1-CE1 4.31Å; L238-F290 HydrophobicContact CD1-CE2 4.5Å; L238-F290 HydrophobicContact CD1-CG 3.53Å; H251-F290 AromaticContact CD2-CD2 3.57Å; H251-F290 AromaticContact CD2-CE2 3.46Å; H251-F290 VanDerWaalsContact CD2-CE2 3.46Å; H251-F290 WeakPolarHBondContact CD2-CE2 3.01Å; Y286-F290 WeakPolarHBondContact O-CB 3.35Å; Y286-F290 PolarHBondContact O-N 2.89Å; V287-F290 WeakPolarHBondContact O-CB 3.47Å; V287-F290 PolarHBondContact O-N 3.35Å; K288-F290 VanDerWaalsContact C-N 3.27Å; K288-F290 PolarHBondContact O-N 2.9Å; F290-R292 VanDerWaalsContact C-N 3.29Å; F290-R292 PolarHBondContact O-N 3.42Å; F290-Q293 PolarHBondContact O-N 3.4Å; F290-Y294 AromaticContact CD2-CD2 3.47Å; F290-Y294 HydrophobicContact CD2-CD2 3.47Å; F290-Y294 VanDerWaalsContact CD2-CD2 3.47Å; F290-Y294 AromaticContact CD2-CE2 3.41Å; F290-Y294 HydrophobicContact CD2-CE2 3.41Å; F290-Y294 VanDerWaalsContact CD2-CE2 3.41Å; F290-Y294 AromaticContact CE2-CD2 3.53Å; F290-Y294 HydrophobicContact CE2-CD2 3.53Å; F290-Y294 AromaticContact CE2-CE2 3.44Å; F290-Y294 HydrophobicContact CE2-CE2 3.44Å; F290-Y294 VanDerWaalsContact CE2-CE2 3.44Å; F290-Y294 HydrophobicContact CG-CD2 4.24Å; F290-Y294 HydrophobicContact CZ-CD2 4.4Å; F290-Y294 WeakPolarHBondContact O-CD2 3.38Å; F290-Y294 PolarHBondContact O-N 3.37Å; F290-V300 HydrophobicContact CD1-CB 4.43Å; F290-V300 HydrophobicContact CD1-CG1 4.26Å; F290-V300 HydrophobicContact CE1-CB 3.41Å; F290-V300 VanDerWaalsContact CE1-CB 3.41Å; F290-V300 HydrophobicContact CE1-CG1 3.58Å; F290-V300 HydrophobicContact CE1-CG2 4.04Å; F290-V300 HydrophobicContact CE2-CB 4.35Å; F290-V300 HydrophobicContact CE2-CG1 3.9Å; F290-V300 HydrophobicContact CZ-CB 3.36Å; F290-V300 HydrophobicContact CZ-CG1 3.37Å; F290-V300 HydrophobicContact CZ-CG2 4.44Å
291	L	92.6	Very high	90.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-58.2	-42.6	176.7	-64.7	171	0	0	0	111.9	L150 V287 K288 N295 V300 I331 Y334 T335 V338	L150-L291 HydrophobicContact CD2-CD1 3.95Å; L150-L291 HydrophobicContact CD2-CD2 4.42Å; V287-L291 HydrophobicContact CG1-CD1 4.23Å; V287-L291 HydrophobicContact CG1-CG 4.49Å; V287-L291 WeakPolarHBondContact O-CG 3.3Å; V287-L291 PolarHBondContact O-N 3.49Å; K288-L291 PolarHBondContact O-N 2.89Å; L291-N295 WeakPolarHBondContact O-CB 3.22Å; L291-N295 PolarHBondContact O-N 3.22Å; L291-V300 HydrophobicContact CD2-CG2 4.05Å; L291-I331 HydrophobicContact CD1-CB 3.87Å; L291-I331 HydrophobicContact CD1-CD1 3.73Å; L291-I331 HydrophobicContact CD1-CG1 4.37Å; L291-I331 HydrophobicContact CD1-CG2 3.94Å; L291-Y334 HydrophobicContact CB-CD2 4.43Å; L291-T335 HydrophobicContact CD1-CG2 4.2Å; L291-V338 HydrophobicContact CD2-CG2 4.46Å
292	R	90.8	Very high	90.9	Very high	36 Å²	36	21.4 Å²	21.4	14%	0.136	11%	0.112	C	C	.	.	H	α-helix	trans	-64.9	-50.4	-179.6	-174.1	177	75	-168.4	5	112.9	N92 K288 H289 F290 Y294 N295 Y334	N92-R292 VanDerWaalsContact CA-NH2 3.33Å; N92-R292 VanDerWaalsContact CG-NH1 3.34Å; N92-R292 PolarHBondContact O-NH2 3.33Å; N92-R292 PolarHBondContact OD1-NH1 3.08Å; K288-R292 VanDerWaalsContact O-CB 3.3Å; K288-R292 WeakPolarHBondContact O-CB 3.34Å; K288-R292 PolarHBondContact O-N 3.29Å; H289-R292 PolarHBondContact CE1-NH2 3.13Å; H289-R292 VanDerWaalsContact CE1-NH2 3.33Å; H289-R292 PolarHBondContact ND1-NH2 3.33Å; H289-R292 PolarHBondContact O-N 3.34Å; F290-R292 VanDerWaalsContact C-N 3.29Å; F290-R292 PolarHBondContact O-N 3.42Å; R292-Y294 PolarHBondContact O-N 3.36Å; R292-N295 WeakPolarHBondContact O-CB 3.46Å; R292-N295 PolarHBondContact O-N 2.86Å; R292-N295 VanDerWaalsContact O-N 3.11Å; R292-Y334 HydrophobicContact CB-CD1 4.31Å; R292-Y334 HydrophobicContact CB-CD2 3.91Å; R292-Y334 HydrophobicContact CB-CE1 4.15Å; R292-Y334 HydrophobicContact CB-CE2 3.72Å; R292-Y334 HydrophobicContact CB-CG 4.22Å; R292-Y334 WeakPolarHBondContact CD-OH 3.23Å; R292-Y334 HydrophobicContact CG-CD1 4.29Å; R292-Y334 HydrophobicContact CG-CE1 3.74Å; R292-Y334 HydrophobicContact CG-CE2 4.01Å
293	Q	87.8	Confident	91	Very high	11 Å²	11	20.8 Å²	20.8	5%	0.051	11%	0.11	C	C	.	.	H	α-helix	trans	-62.7	-36.6	-177	-69.9	-58.9	-22.1	0	0	111.1	I140 H289 F290 R297	I140-Q293 HydrophobicContact CB-CB 4.28Å; I140-Q293 HydrophobicContact CB-CG 3.83Å; I140-Q293 HydrophobicContact CG2-CB 3.84Å; I140-Q293 HydrophobicContact CG2-CG 3.92Å; H289-Q293 WeakPolarHBondContact O-CB 3.37Å; H289-Q293 VanDerWaalsContact O-CG 3.27Å; H289-Q293 WeakPolarHBondContact O-CG 3.47Å; H289-Q293 PolarHBondContact O-N 2.97Å; F290-Q293 PolarHBondContact O-N 3.4Å; Q293-R297 PolarHBondContact O-NH1 3.49Å
294	Y	87.6	Confident	91	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.008	11%	0.106	C	C	.	.	H	α-helix	trans	-86.8	-4.5	177.9	-66.5	-62.5	0	0	0	114.3	I140 V143 R148 A236 H251 F290 R292 G296 R297 R298 V300	I140-Y294 HydrophobicContact CG2-CD2 4.47Å; I140-Y294 HydrophobicContact CG2-CE2 3.8Å; V143-Y294 HydrophobicContact CB-CE1 4.33Å; V143-Y294 WeakPolarHBondContact O-CE1 3.4Å; R148-Y294 PolarHBondContact NH2-O 2.95Å; A236-Y294 HydrophobicContact CB-CD1 4.11Å; A236-Y294 HydrophobicContact CB-CD2 4.04Å; A236-Y294 HydrophobicContact CB-CE1 3.66Å; A236-Y294 HydrophobicContact CB-CE2 3.72Å; A236-Y294 HydrophobicContact CB-CG 4.24Å; A236-Y294 VanDerWaalsContact CB-CZ 3.49Å; H251-Y294 AromaticContact CD2-CE2 3.79Å; H251-Y294 PolarHBondContact CE1-OH 2.87Å; H251-Y294 AromaticContact NE2-CE2 3.24Å; H251-Y294 WeakPolarHBondContact NE2-CE2 2.98Å; H251-Y294 AromaticContact NE2-CZ 3.3Å; H251-Y294 VanDerWaalsContact NE2-CZ 3.3Å; H251-Y294 PolarHBondContact NE2-OH 3.23Å; F290-Y294 AromaticContact CD2-CD2 3.47Å; F290-Y294 HydrophobicContact CD2-CD2 3.47Å; F290-Y294 VanDerWaalsContact CD2-CD2 3.47Å; F290-Y294 AromaticContact CD2-CE2 3.41Å; F290-Y294 HydrophobicContact CD2-CE2 3.41Å; F290-Y294 VanDerWaalsContact CD2-CE2 3.41Å; F290-Y294 AromaticContact CE2-CD2 3.53Å; F290-Y294 HydrophobicContact CE2-CD2 3.53Å; F290-Y294 AromaticContact CE2-CE2 3.44Å; F290-Y294 HydrophobicContact CE2-CE2 3.44Å; F290-Y294 VanDerWaalsContact CE2-CE2 3.44Å; F290-Y294 HydrophobicContact CG-CD2 4.24Å; F290-Y294 HydrophobicContact CZ-CD2 4.4Å; F290-Y294 WeakPolarHBondContact O-CD2 3.38Å; F290-Y294 PolarHBondContact O-N 3.37Å; R292-Y294 PolarHBondContact O-N 3.36Å; Y294-G296 PolarHBondContact O-N 2.77Å; Y294-R297 PolarHBondContact O-N 3.08Å; Y294-R298 HydrophobicContact CD1-CB 3.22Å; Y294-R298 HydrophobicContact CD1-CG 4.18Å; Y294-R298 HydrophobicContact CE1-CB 3.73Å; Y294-R298 HydrophobicContact CE1-CG 4.24Å; Y294-R298 HydrophobicContact CG-CB 4.06Å; Y294-R298 PolarHBondContact O-N 3.05Å; Y294-V300 HydrophobicContact CD2-CG1 3.87Å; Y294-V300 HydrophobicContact CG-CG1 3.92Å
295	N	86.3	Confident	90.9	Very high	40 Å²	40	21.3 Å²	21.3	21%	0.214	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	136	179	-166.1	23.6	0	0	0	111.7	R148 L291 R292 R297 E333 Y334	R148-N295 PolarHBondContact NH1-OD1 3.1Å; L291-N295 WeakPolarHBondContact O-CB 3.22Å; L291-N295 PolarHBondContact O-N 3.22Å; R292-N295 WeakPolarHBondContact O-CB 3.46Å; R292-N295 PolarHBondContact O-N 2.86Å; R292-N295 VanDerWaalsContact O-N 3.11Å; N295-R297 WeakPolarHBondContact O-CG 3.42Å; N295-R297 PolarHBondContact O-N 2.77Å; N295-R297 VanDerWaalsContact O-N 3.09Å; N295-R297 PolarHBondContact O-NH1 3.41Å; N295-E333 PolarHBondContact ND2-O 3.25Å; N295-Y334 HydrophobicContact CB-CD1 4.15Å
296	G	76.6	Confident	90.9	Very high	68 Å²	68	19.1 Å²	19.1	70%	0.701	10%	0.099	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.4	6.5	-168.3	0	0	0	0	0	117.3	Y294	Y294-G296 PolarHBondContact O-N 2.77Å
297	R	77.8	Confident	90.7	Very high	130 Å²	130	21.8 Å²	21.8	49%	0.491	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.5	-76.2	-168.3	-63.3	178.2	-167.1	85.6	6.6	115.2	A145 S146 Q293 Y294 N295	A145-R297 CarbonylContact C-O 3.58Å; A145-R297 WeakPolarHBondContact CA-O 3.13Å; A145-R297 PolarHBondContact N-O 3.46Å; S146-R297 PolarHBondContact N-O 3.36Å; Q293-R297 PolarHBondContact O-NH1 3.49Å; Y294-R297 PolarHBondContact O-N 3.08Å; N295-R297 WeakPolarHBondContact O-CG 3.42Å; N295-R297 PolarHBondContact O-N 2.77Å; N295-R297 VanDerWaalsContact O-N 3.09Å; N295-R297 PolarHBondContact O-NH1 3.41Å
298	R	82.5	Confident	90.4	Very high	20 Å²	20	25.2 Å²	25.2	8%	0.075	13%	0.132	C	C	.	.			trans	-102.7	152.1	-177.7	-157.6	165.7	175.4	-156.1	-3.3	112.1	P144 R148 G234 Y235 A236 D250 Y294	P144-R298 VanDerWaalsContact C-CD 3.5Å; P144-R298 VanDerWaalsContact C-CG 3.41Å; P144-R298 WeakPolarHBondContact O-CD 3.43Å; P144-R298 WeakPolarHBondContact O-CG 3.48Å; P144-R298 PolarHBondContact O-NE 2.81Å; R148-R298 PolarHBondContact NE-O 3.38Å; G234-R298 PolarHBondContact O-NE 2.95Å; G234-R298 PolarHBondContact O-NH2 3.17Å; Y235-R298 VanDerWaalsContact C-CZ 3.47Å; Y235-R298 PolarHBondContact O-NH2 3.34Å; A236-R298 VanDerWaalsContact CA-CZ 3.46Å; A236-R298 HydrophobicContact CB-CB 4.37Å; A236-R298 VanDerWaalsContact CB-CD 3.48Å; A236-R298 HydrophobicContact CB-CG 3.9Å; A236-R298 VanDerWaalsContact N-CZ 3.34Å; D250-R298 IonicContact OD1-CZ 2.72Å; D250-R298 IonicContact OD1-NH1 2.91Å; D250-R298 PolarHBondContact OD1-NH1 3.24Å; D250-R298 IonicContact OD1-NH2 3.03Å; D250-R298 IonicContact OD2-NH1 2.7Å; D250-R298 IonicContact OD2-NH2 2.9Å; Y294-R298 HydrophobicContact CD1-CB 3.22Å; Y294-R298 HydrophobicContact CD1-CG 4.18Å; Y294-R298 HydrophobicContact CE1-CB 3.73Å; Y294-R298 HydrophobicContact CE1-CG 4.24Å; Y294-R298 HydrophobicContact CG-CB 4.06Å; Y294-R298 PolarHBondContact O-N 3.05Å
299	P	88.3	Confident	90.1	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.006	13%	0.125	C	C	.	.			trans	-72.2	158	161.2	35.1	-32.4	0	0	0	107.6	A145 S146 P147 Y235 A236	A145-P299 WeakPolarHBondContact O-CD 3.21Å; S146-P299 VanDerWaalsContact C-CA 3.49Å; S146-P299 VanDerWaalsContact C-CG 3.43Å; S146-P299 VanDerWaalsContact CA-CD 3.42Å; S146-P299 WeakPolarHBondContact O-CB 3.02Å; S146-P299 WeakPolarHBondContact O-CD 3.22Å; S146-P299 WeakPolarHBondContact O-CG 3.43Å; P147-P299 VanDerWaalsContact N-CB 3.34Å; P147-P299 WeakPolarHBondContact O-CB 3.36Å; Y235-P299 HydrophobicContact CD1-CB 3.25Å; Y235-P299 HydrophobicContact CD1-CG 3.43Å; Y235-P299 VanDerWaalsContact CD1-CG 3.43Å; Y235-P299 HydrophobicContact CD2-CB 4.08Å; Y235-P299 HydrophobicContact CD2-CG 3.44Å; Y235-P299 VanDerWaalsContact CD2-CG 3.44Å; Y235-P299 HydrophobicContact CE1-CB 3.26Å; Y235-P299 HydrophobicContact CE1-CG 3.76Å; Y235-P299 HydrophobicContact CE2-CB 4.1Å; Y235-P299 HydrophobicContact CE2-CG 3.77Å; Y235-P299 HydrophobicContact CG-CB 3.65Å; Y235-P299 HydrophobicContact CG-CG 3.22Å; A236-P299 WeakPolarHBondContact CB-O 3.32Å; A236-P299 PolarHBondContact N-O 3.21Å
300	V	91	Very high	89.7	Confident	0 Å²	0	23 Å²	23	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	145	171.4	-62.6	0	0	0	0	109.3	R148 V149 A236 F290 L291 Y294	R148-V300 CarbonylContact C-O 3.59Å; R148-V300 VanDerWaalsContact CA-O 3.24Å; R148-V300 WeakPolarHBondContact CA-O 3.48Å; R148-V300 HydrophobicContact CB-CG2 3.58Å; R148-V300 HydrophobicContact CG-CG2 3.77Å; V149-V300 PolarHBondContact N-O 2.79Å; A236-V300 HydrophobicContact CB-CG1 4.39Å; A236-V300 CarbonylContact O-C 3.57Å; A236-V300 VanDerWaalsContact O-CA 3.25Å; A236-V300 WeakPolarHBondContact O-CA 3.41Å; F290-V300 HydrophobicContact CD1-CB 4.43Å; F290-V300 HydrophobicContact CD1-CG1 4.26Å; F290-V300 HydrophobicContact CE1-CB 3.41Å; F290-V300 VanDerWaalsContact CE1-CB 3.41Å; F290-V300 HydrophobicContact CE1-CG1 3.58Å; F290-V300 HydrophobicContact CE1-CG2 4.04Å; F290-V300 HydrophobicContact CE2-CB 4.35Å; F290-V300 HydrophobicContact CE2-CG1 3.9Å; F290-V300 HydrophobicContact CZ-CB 3.36Å; F290-V300 HydrophobicContact CZ-CG1 3.37Å; F290-V300 HydrophobicContact CZ-CG2 4.44Å; L291-V300 HydrophobicContact CD2-CG2 4.05Å; Y294-V300 HydrophobicContact CD2-CG1 3.87Å; Y294-V300 HydrophobicContact CG-CG1 3.92Å
301	F	94.8	Very high	88.9	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	102.4	152.9	178.3	-80.6	0	0	0	105.3	V149 L151 V226 W227 Y230 Y235 A236 T237 L238 L303 L404	V149-F301 HydrophobicContact CB-CD2 4.25Å; V149-F301 WeakPolarHBondContact O-CA 3.33Å; L151-F301 HydrophobicContact CD1-CD2 4.5Å; L151-F301 HydrophobicContact CD1-CE1 4.25Å; L151-F301 HydrophobicContact CD1-CE2 3.77Å; L151-F301 HydrophobicContact CD1-CZ 3.62Å; V226-F301 HydrophobicContact CG1-CE1 4.46Å; V226-F301 HydrophobicContact CG1-CE2 4.05Å; V226-F301 HydrophobicContact CG1-CZ 3.64Å; W227-F301 HydrophobicContact CB-CD1 3.5Å; W227-F301 HydrophobicContact CB-CE1 3.62Å; W227-F301 HydrophobicContact CB-CG 4.29Å; W227-F301 HydrophobicContact CB-CZ 4.43Å; W227-F301 HydrophobicContact CE3-CE1 4.21Å; Y230-F301 HydrophobicContact CD1-CB 4.15Å; Y230-F301 HydrophobicContact CD1-CD2 4.05Å; Y230-F301 HydrophobicContact CD1-CG 4.49Å; Y230-F301 HydrophobicContact CD2-CB 4.41Å; Y230-F301 AromaticContact CD2-CD2 3.31Å; Y230-F301 HydrophobicContact CD2-CD2 3.31Å; Y230-F301 AromaticContact CD2-CE2 3.73Å; Y230-F301 HydrophobicContact CD2-CE2 3.73Å; Y230-F301 AromaticContact CD2-CG 3.97Å; Y230-F301 HydrophobicContact CD2-CG 3.97Å; Y230-F301 HydrophobicContact CE1-CD2 4.07Å; Y230-F301 AromaticContact CE2-CD2 3.35Å; Y230-F301 HydrophobicContact CE2-CD2 3.35Å; Y230-F301 AromaticContact CE2-CE2 3.52Å; Y230-F301 HydrophobicContact CE2-CE2 3.52Å; Y230-F301 HydrophobicContact CE2-CG 4.41Å; Y230-F301 HydrophobicContact CG-CB 3.94Å; Y230-F301 AromaticContact CG-CD2 3.67Å; Y230-F301 HydrophobicContact CG-CD2 3.67Å; Y230-F301 HydrophobicContact CG-CG 4.01Å; Y230-F301 AromaticContact CZ-CD2 3.72Å; Y235-F301 HydrophobicContact CD1-CB 4.38Å; A236-F301 PolarHBondContact O-N 3.17Å; T237-F301 CarbonylContact C-O 3.42Å; T237-F301 VanDerWaalsContact CA-O 3.25Å; T237-F301 WeakPolarHBondContact CA-O 3.27Å; T237-F301 HydrophobicContact CG2-CB 4.33Å; L238-F301 PolarHBondContact N-O 3.15Å; F301-L303 HydrophobicContact CE1-CB 4.36Å; F301-L404 HydrophobicContact CE2-CD1 4.08Å; F301-L404 HydrophobicContact CE2-CD2 4.1Å; F301-L404 HydrophobicContact CZ-CD1 4.31Å
302	G	95.5	Very high	88.4	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	127	176.1	0	0	0	0	0	110.5	V149 L150 L151	V149-G302 PolarHBondContact O-N 2.88Å; L150-G302 CarbonylContact C-O 3.15Å; L150-G302 WeakPolarHBondContact CA-O 3.46Å; L151-G302 PolarHBondContact N-O 2.85Å
303	L	97.3	Very high	88.1	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	111.4	160.5	172.5	58.5	0	0	0	108.2	L151 L153 M199 L200 W227 L238 F239 F301 W305	L151-L303 HydrophobicContact CB-CD1 3.71Å; L153-L303 HydrophobicContact CB-CD1 4.35Å; M199-L303 HydrophobicContact CE-CD1 4.5Å; L200-L303 HydrophobicContact CD1-CD2 4.22Å; L200-L303 HydrophobicContact CD2-CD2 3.85Å; L200-L303 HydrophobicContact CG-CD2 4.45Å; W227-L303 HydrophobicContact CZ3-CD2 4.2Å; L238-L303 PolarHBondContact O-N 2.8Å; F239-L303 HydrophobicContact CD2-CB 4.28Å; F239-L303 HydrophobicContact CD2-CD2 3.83Å; F239-L303 HydrophobicContact CD2-CG 4.12Å; F239-L303 HydrophobicContact CE2-CD2 3.8Å; F239-L303 HydrophobicContact CE2-CG 4.43Å; F301-L303 HydrophobicContact CE1-CB 4.36Å; L303-W305 HydrophobicContact CD1-CE3 4.47Å; L303-W305 HydrophobicContact CD2-CE3 4.38Å
304	N	96	Very high	88.1	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	132.1	167.8	174.3	-122	0	0	0	109.6	L151 F152 L153 D240 Q283 V287 Q306	L151-N304 PolarHBondContact O-N 3.23Å; F152-N304 HydrophobicContact CD2-CB 4.39Å; F152-N304 VanDerWaalsContact CD2-OD1 3.28Å; F152-N304 WeakPolarHBondContact CD2-OD1 3.38Å; F152-N304 WeakPolarHBondContact CE2-OD1 3.42Å; L153-N304 WeakPolarHBondContact CB-O 2.98Å; L153-N304 PolarHBondContact N-O 2.04Å; D240-N304 WeakPolarHBondContact OD2-CA 3.36Å; D240-N304 PolarHBondContact OD2-ND2 2.93Å; Q283-N304 VanDerWaalsContact CD-ND2 3.32Å; Q283-N304 VanDerWaalsContact CG-ND2 3.33Å; Q283-N304 WeakPolarHBondContact CG-ND2 3.32Å; Q283-N304 PolarHBondContact NE2-ND2 2.88Å; V287-N304 HydrophobicContact CG2-CB 3.88Å; N304-Q306 PolarHBondContact ND2-NE2 3.14Å; N304-Q306 PolarHBondContact OD1-NE2 3.15Å
305	W	95.7	Very high	88.4	Confident	35 Å²	35	32.8 Å²	32.8	13%	0.133	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	104.6	179.7	-161.7	-58.5	0	0	0	110.3	L153 D155 M199 D240 Q283 L303 T307 D345	L153-W305 HydrophobicContact CB-CD2 4.48Å; L153-W305 HydrophobicContact CD1-CD2 4.03Å; L153-W305 HydrophobicContact CD1-CE3 3.69Å; L153-W305 HydrophobicContact CD1-CH2 3.7Å; L153-W305 HydrophobicContact CD1-CZ2 4.04Å; L153-W305 HydrophobicContact CD1-CZ3 3.52Å; L153-W305 HydrophobicContact CD2-CD2 3.62Å; L153-W305 HydrophobicContact CD2-CE3 4.18Å; L153-W305 HydrophobicContact CD2-CG 3.93Å; L153-W305 HydrophobicContact CD2-CH2 4.28Å; L153-W305 HydrophobicContact CD2-CZ2 3.74Å; L153-W305 HydrophobicContact CD2-CZ3 4.49Å; L153-W305 HydrophobicContact CG-CD2 4.23Å; L153-W305 HydrophobicContact CG-CE3 4.34Å; D155-W305 HydrophobicContact CB-CZ2 4.37Å; D155-W305 PolarHBondContact OD2-NE1 2.72Å; M199-W305 HydrophobicContact CE-CZ3 4.12Å; D240-W305 VanDerWaalsContact OD1-CB 3.29Å; D240-W305 WeakPolarHBondContact OD1-CB 3.4Å; D240-W305 PolarHBondContact OD1-N 2.93Å; D240-W305 PolarHBondContact OD2-N 2.91Å; Q283-W305 PolarHBondContact NE2-O 2.77Å; L303-W305 HydrophobicContact CD1-CE3 4.47Å; L303-W305 HydrophobicContact CD2-CE3 4.38Å; W305-T307 PolarHBondContact NE1-OG1 2.91Å; W305-D345 HydrophobicContact CH2-CB 3.99Å; W305-D345 HydrophobicContact CZ2-CB 3.83Å
306	Q	94.9	Very high	88.7	Confident	3 Å²	3	31.8 Å²	31.8	1%	0.014	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	106.1	176.8	-59.9	-68.5	-32.4	0	0	109.4	F152 L153 D155 N304 S310 F324	F152-Q306 HydrophobicContact CE1-CG 4.19Å; F152-Q306 HydrophobicContact CE2-CG 4.46Å; F152-Q306 HydrophobicContact CZ-CG 3.9Å; L153-Q306 PolarHBondContact O-N 3.43Å; D155-Q306 PolarHBondContact N-O 3.32Å; N304-Q306 PolarHBondContact ND2-NE2 3.14Å; N304-Q306 PolarHBondContact OD1-NE2 3.15Å; Q306-S310 PolarHBondContact O-OG 2.61Å; Q306-F324 HydrophobicContact CB-CZ 4.3Å; Q306-F324 HydrophobicContact CG-CE2 4.43Å; Q306-F324 HydrophobicContact CG-CZ 3.86Å
307	T	91.6	Very high	89.6	Confident	58 Å²	58	28.7 Å²	28.7	36%	0.356	13%	0.129	S	C	.	.			trans	-105.4	-50.5	-179.9	-51.8	0	0	0	0	112.8	W305 I309 S310 H311	W305-T307 PolarHBondContact NE1-OG1 2.91Å; T307-I309 VanDerWaalsContact C-N 3.33Å; T307-I309 PolarHBondContact O-N 3.39Å; T307-S310 PolarHBondContact O-N 3.5Å; T307-H311 HydrophobicContact CG2-CB 3.91Å; T307-H311 WeakPolarHBondContact O-CB 3.1Å; T307-H311 PolarHBondContact O-N 2.95Å
308	E	89.7	Confident	90.5	Very high	74 Å²	74	23.1 Å²	23.1	35%	0.346	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-39.5	-165	-169	-173.4	-170.4	0	0	113.4	L272 T279	L272-E308 HydrophobicContact CD2-CG 3.82Å; T279-E308 VanDerWaalsContact CB-OE2 3.26Å; T279-E308 WeakPolarHBondContact CB-OE2 3.3Å; T279-E308 VanDerWaalsContact CG2-OE2 3.23Å; T279-E308 WeakPolarHBondContact CG2-OE2 3.02Å
309	I	89.6	Confident	91.1	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.01	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-15.2	-172.8	-163.1	57.5	0	0	0	113.8	L272 T307 Q316 V317 L319 A320 F324	L272-I309 HydrophobicContact CB-CD1 4.46Å; L272-I309 HydrophobicContact CD1-CD1 3.53Å; L272-I309 HydrophobicContact CD2-CD1 3.94Å; L272-I309 HydrophobicContact CG-CD1 4.16Å; T307-I309 VanDerWaalsContact C-N 3.33Å; T307-I309 PolarHBondContact O-N 3.39Å; I309-Q316 CarbonylContact O-C 3.46Å; I309-Q316 VanDerWaalsContact O-C 3.32Å; I309-Q316 WeakPolarHBondContact O-CG 3.22Å; I309-V317 WeakPolarHBondContact O-CA 3.28Å; I309-V317 PolarHBondContact O-N 3.27Å; I309-V317 VanDerWaalsContact O-N 3.17Å; I309-L319 HydrophobicContact CD1-CB 4.07Å; I309-L319 HydrophobicContact CD1-CD1 4.49Å; I309-A320 HydrophobicContact CG1-CB 3.81Å; I309-A320 HydrophobicContact CG2-CB 4.39Å; I309-F324 HydrophobicContact CG2-CZ 4.11Å
310	S	84.2	Confident	91.5	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.014	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.5	-23.3	-170.1	40.1	0	0	0	0	114.8	I154 D155 Q306 T307	I154-S310 WeakPolarHBondContact CG2-OG 3.33Å; D155-S310 VanDerWaalsContact C-OG 3.3Å; D155-S310 CarbonylContact O-C 3.57Å; D155-S310 VanDerWaalsContact O-CB 3.31Å; D155-S310 WeakPolarHBondContact O-CB 3.29Å; D155-S310 PolarHBondContact O-OG 2.89Å; Q306-S310 PolarHBondContact O-OG 2.61Å; T307-S310 PolarHBondContact O-N 3.5Å
311	H	77.5	Confident	91.8	Very high	56 Å²	56	23.7 Å²	23.7	26%	0.259	11%	0.112	S	C	.	.	S	Bend	trans	-74.7	-35.2	-165.3	-178.4	-87.5	0	0	0	114.7	D155 T307	D155-H311 WeakPolarHBondContact O-CA 3.16Å; D155-H311 PolarHBondContact O-N 3.13Å; D155-H311 IonicContact OD1-CD2 3.77Å; D155-H311 PolarHBondContact OD1-CD2 3.24Å; T307-H311 HydrophobicContact CG2-CB 3.91Å; T307-H311 WeakPolarHBondContact O-CB 3.1Å; T307-H311 PolarHBondContact O-N 2.95Å
312	D	80.3	Confident	92	Very high	78 Å²	78	27.4 Å²	27.4	42%	0.417	13%	0.13	S	C	.	.	S	Bend	trans	-86.2	-29.3	-165.2	-99.8	-42.6	0	0	0	115.6	K575	D312-K575 PolarHBondContact O-NZ 3.39Å; D312-K575 IonicContact OD1-NZ 3.5Å; D312-K575 PolarHBondContact OD1-NZ 2.83Å
313	W	85.2	Confident	92.1	Very high	110 Å²	110	29.5 Å²	29.5	42%	0.417	14%	0.141	S	C	.	.			trans	-152.7	131.8	-175.3	-179.2	37.7	0	0	0	111.9	K73 L75 N315 Q316	K73-W313 HydrophobicContact CB-CZ2 4.45Å; K73-W313 HydrophobicContact CD-CZ2 4.33Å; L75-W313 HydrophobicContact CD1-CE3 4.2Å; L75-W313 HydrophobicContact CD1-CH2 4.44Å; L75-W313 HydrophobicContact CD1-CZ3 3.71Å; L75-W313 HydrophobicContact CD2-CH2 3.47Å; L75-W313 VanDerWaalsContact CD2-CH2 3.47Å; L75-W313 HydrophobicContact CD2-CZ3 3.49Å; L75-W313 VanDerWaalsContact CD2-CZ3 3.49Å; L75-W313 HydrophobicContact CG-CZ3 4.22Å; W313-N315 HydrophobicContact CD2-CB 4.06Å; W313-N315 HydrophobicContact CE3-CB 4.22Å; W313-N315 HydrophobicContact CH2-CB 4.14Å; W313-N315 HydrophobicContact CZ2-CB 3.91Å; W313-N315 VanDerWaalsContact CZ2-ND2 3.27Å; W313-N315 WeakPolarHBondContact CZ2-ND2 3.47Å; W313-N315 HydrophobicContact CZ3-CB 4.27Å; W313-N315 PolarHBondContact NE1-ND2 3.09Å; W313-N315 PolarHBondContact O-N 3.03Å; W313-Q316 HydrophobicContact CB-CB 4.29Å; W313-Q316 HydrophobicContact CE3-CB 4.44Å; W313-Q316 WeakPolarHBondContact O-CB 3.44Å; W313-Q316 PolarHBondContact O-N 3.41Å
314	I	88.2	Confident	92.1	Very high	10 Å²	10	29.5 Å²	29.5	5%	0.051	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-26.8	-176	-164.5	169	0	0	0	115.8	N161 I353	N161-I314 HydrophobicContact CB-CG1 4.5Å; N161-I314 WeakPolarHBondContact ND2-CG1 3.33Å; N161-I314 PolarHBondContact ND2-O 3.31Å; I314-I353 HydrophobicContact CD1-CD1 3.39Å; I314-I353 HydrophobicContact CD1-CG2 4.28Å
315	N	93	Very high	92.3	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-16.3	-179	-63.2	-58.7	0	0	0	113.7	Y71 Y72 K73 L75 W313 V317 Q318	Y71-N315 PolarHBondContact O-ND2 2.76Å; Y72-N315 WeakPolarHBondContact CA-OD1 3.44Å; K73-N315 PolarHBondContact N-ND2 2.81Å; K73-N315 PolarHBondContact N-OD1 3.21Å; K73-N315 PolarHBondContact O-OD1 3.45Å; L75-N315 HydrophobicContact CD1-CB 4.16Å; L75-N315 VanDerWaalsContact CD1-O 3.23Å; L75-N315 WeakPolarHBondContact CD1-O 3.41Å; L75-N315 HydrophobicContact CD2-CB 4.46Å; L75-N315 HydrophobicContact CG-CB 4.23Å; W313-N315 HydrophobicContact CD2-CB 4.06Å; W313-N315 HydrophobicContact CE3-CB 4.22Å; W313-N315 HydrophobicContact CH2-CB 4.14Å; W313-N315 HydrophobicContact CZ2-CB 3.91Å; W313-N315 VanDerWaalsContact CZ2-ND2 3.27Å; W313-N315 WeakPolarHBondContact CZ2-ND2 3.47Å; W313-N315 HydrophobicContact CZ3-CB 4.27Å; W313-N315 PolarHBondContact NE1-ND2 3.09Å; W313-N315 PolarHBondContact O-N 3.03Å; N315-V317 VanDerWaalsContact C-N 3.28Å; N315-V317 PolarHBondContact O-N 2.75Å; N315-Q318 VanDerWaalsContact O-CB 3.3Å; N315-Q318 WeakPolarHBondContact O-CB 3.48Å; N315-Q318 VanDerWaalsContact O-CG 3.27Å; N315-Q318 WeakPolarHBondContact O-CG 3.45Å; N315-Q318 PolarHBondContact O-N 3.48Å; N315-Q318 PolarHBondContact O-NE2 3.36Å; N315-Q318 PolarHBondContact OD1-NE2 3.31Å
316	Q	93.9	Very high	92.4	Very high	20 Å²	20	30.3 Å²	30.3	9%	0.093	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-63.4	-34.5	-171	-172	175.2	43.4	0	0	112.6	H271 L272 I309 W313 Q318 L319	H271-Q316 PolarHBondContact NE2-NE2 2.96Å; L272-Q316 HydrophobicContact CD1-CG 4.1Å; I309-Q316 CarbonylContact O-C 3.46Å; I309-Q316 VanDerWaalsContact O-C 3.32Å; I309-Q316 WeakPolarHBondContact O-CG 3.22Å; W313-Q316 HydrophobicContact CB-CB 4.29Å; W313-Q316 HydrophobicContact CE3-CB 4.44Å; W313-Q316 WeakPolarHBondContact O-CB 3.44Å; W313-Q316 PolarHBondContact O-N 3.41Å; Q316-Q318 PolarHBondContact O-N 2.84Å; Q316-Q318 VanDerWaalsContact O-N 3.11Å; Q316-L319 HydrophobicContact CG-CD1 4.25Å; Q316-L319 VanDerWaalsContact O-CB 3.25Å; Q316-L319 WeakPolarHBondContact O-CB 3.3Å; Q316-L319 WeakPolarHBondContact O-CG 3.17Å; Q316-L319 PolarHBondContact O-N 3.34Å
317	V	94.7	Very high	92.6	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.012	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-61.8	-22.2	-179.4	71.3	0	0	0	0	113.7	I154 M157 C165 M166 I309 N315 L319 A320	I154-V317 HydrophobicContact CG2-CG2 4.07Å; M157-V317 HydrophobicContact CE-CG1 3.5Å; M157-V317 VanDerWaalsContact CE-CG1 3.5Å; M157-V317 HydrophobicContact CE-CG2 4.45Å; M157-V317 HydrophobicContact SD-CB 4.26Å; M157-V317 HydrophobicContact SD-CG1 3.85Å; M157-V317 HydrophobicContact SD-CG2 3.68Å; C165-V317 HydrophobicContact CB-CG1 3.75Å; M166-V317 HydrophobicContact CE-CG2 4.29Å; M166-V317 HydrophobicContact SD-CG1 4.35Å; M166-V317 HydrophobicContact SD-CG2 3.85Å; I309-V317 WeakPolarHBondContact O-CA 3.28Å; I309-V317 PolarHBondContact O-N 3.27Å; I309-V317 VanDerWaalsContact O-N 3.17Å; N315-V317 VanDerWaalsContact C-N 3.28Å; N315-V317 PolarHBondContact O-N 2.75Å; V317-L319 PolarHBondContact O-N 2.94Å; V317-A320 PolarHBondContact O-N 3.12Å
318	Q	96.1	Very high	92.9	Very high	14 Å²	14	27.7 Å²	27.7	7%	0.065	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-55.7	-25.3	173.6	-66.7	-179.9	55.5	0	0	113	K73 K74 C165 N315 Q316 A320 D321	K73-Q318 PolarHBondContact O-NE2 2.92Å; K74-Q318 VanDerWaalsContact NZ-OE1 3.12Å; C165-Q318 HydrophobicContact CB-CG 3.56Å; C165-Q318 WeakPolarHBondContact O-CG 2.92Å; N315-Q318 VanDerWaalsContact O-CB 3.3Å; N315-Q318 WeakPolarHBondContact O-CB 3.48Å; N315-Q318 VanDerWaalsContact O-CG 3.27Å; N315-Q318 WeakPolarHBondContact O-CG 3.45Å; N315-Q318 PolarHBondContact O-N 3.48Å; N315-Q318 PolarHBondContact O-NE2 3.36Å; N315-Q318 PolarHBondContact OD1-NE2 3.31Å; Q316-Q318 PolarHBondContact O-N 2.84Å; Q316-Q318 VanDerWaalsContact O-N 3.11Å; Q318-A320 PolarHBondContact O-N 2.87Å; Q318-D321 PolarHBondContact O-N 3.16Å
319	L	95.9	Very high	93.3	Very high	29 Å²	29	28.7 Å²	28.7	15%	0.152	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-65.8	-21.3	178.3	-61.8	-179.8	0	0	0	112.8	L75 P76 L78 L272 I309 Q316 V317	L75-L319 HydrophobicContact CB-CD2 3.87Å; L75-L319 HydrophobicContact CD1-CD1 4.47Å; L75-L319 HydrophobicContact CD1-CD2 4.28Å; L75-L319 HydrophobicContact CD1-CG 4.19Å; P76-L319 WeakPolarHBondContact O-CD2 3.45Å; L78-L319 HydrophobicContact CB-CB 4.08Å; L78-L319 HydrophobicContact CB-CD1 4.34Å; L78-L319 HydrophobicContact CB-CD2 4.26Å; L78-L319 HydrophobicContact CB-CG 4.45Å; L272-L319 HydrophobicContact CD1-CD1 3.77Å; I309-L319 HydrophobicContact CD1-CB 4.07Å; I309-L319 HydrophobicContact CD1-CD1 4.49Å; Q316-L319 HydrophobicContact CG-CD1 4.25Å; Q316-L319 VanDerWaalsContact O-CB 3.25Å; Q316-L319 WeakPolarHBondContact O-CB 3.3Å; Q316-L319 WeakPolarHBondContact O-CG 3.17Å; Q316-L319 PolarHBondContact O-N 3.34Å; V317-L319 PolarHBondContact O-N 2.94Å
320	A	96.9	Very high	93.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-105.7	0.1	177.8	0	0	0	0	0	114.1	I309 V317 Q318 E322 D323 F324	I309-A320 HydrophobicContact CG1-CB 3.81Å; I309-A320 HydrophobicContact CG2-CB 4.39Å; V317-A320 PolarHBondContact O-N 3.12Å; Q318-A320 PolarHBondContact O-N 2.87Å; A320-E322 PolarHBondContact O-N 2.84Å; A320-D323 PolarHBondContact O-N 3.22Å; A320-F324 HydrophobicContact CB-CD1 3.94Å; A320-F324 HydrophobicContact CB-CD2 4.45Å; A320-F324 HydrophobicContact CB-CE1 3.69Å; A320-F324 HydrophobicContact CB-CE2 4.19Å; A320-F324 HydrophobicContact CB-CG 4.32Å; A320-F324 HydrophobicContact CB-CZ 3.81Å; A320-F324 WeakPolarHBondContact O-CB 2.82Å; A320-F324 WeakPolarHBondContact O-CG 3.44Å; A320-F324 PolarHBondContact O-N 3.01Å
321	D	97.8	Very high	94.1	Very high	3 Å²	3	33 Å²	33	2%	0.016	15%	0.152	C	C	.	.	H	α-helix	trans	-56.4	-46.9	-176.8	-178.1	32.6	0	0	0	112.5	M166 P167 K168 L169 Q318 A325	M166-D321 WeakPolarHBondContact CA-OD1 3.39Å; M166-D321 HydrophobicContact CE-CB 4.38Å; M166-D321 HydrophobicContact SD-CB 3.76Å; P167-D321 VanDerWaalsContact CD-OD2 3.24Å; P167-D321 WeakPolarHBondContact CD-OD2 3.33Å; K168-D321 WeakPolarHBondContact CB-OD1 3.36Å; K168-D321 WeakPolarHBondContact CB-OD2 3.25Å; K168-D321 VanDerWaalsContact CG-OD2 3.26Å; K168-D321 WeakPolarHBondContact CG-OD2 3.44Å; K168-D321 PolarHBondContact N-OD1 2.93Å; K168-D321 VanDerWaalsContact N-OD1 3.09Å; K168-D321 PolarHBondContact N-OD2 2.61Å; K168-D321 VanDerWaalsContact N-OD2 3.12Å; L169-D321 PolarHBondContact N-OD1 3.01Å; Q318-D321 PolarHBondContact O-N 3.16Å; D321-A325 VanDerWaalsContact O-CB 3.25Å; D321-A325 WeakPolarHBondContact O-CB 3.39Å; D321-A325 PolarHBondContact O-N 3.2Å
322	E	97.7	Very high	94.9	Very high	78 Å²	78	35.8 Å²	35.8	36%	0.364	16%	0.16	S	C	.	.	H	α-helix	trans	-65.5	-45	176.4	-175.3	71.1	-128.5	0	0	111.8	K168 A320 F324 A325 N326	K168-E322 HydrophobicContact CD-CB 4.33Å; K168-E322 VanDerWaalsContact CD-OE2 3.25Å; K168-E322 WeakPolarHBondContact CD-OE2 3.45Å; K168-E322 WeakPolarHBondContact CE-OE2 3.25Å; K168-E322 IonicContact NZ-OE2 3.79Å; K168-E322 PolarHBondContact NZ-OE2 3.37Å; A320-E322 PolarHBondContact O-N 2.84Å; E322-F324 PolarHBondContact O-N 3.19Å; E322-A325 PolarHBondContact O-N 3.25Å; E322-N326 WeakPolarHBondContact O-CB 3.34Å; E322-N326 VanDerWaalsContact O-CG 3.28Å; E322-N326 PolarHBondContact O-N 3.33Å; E322-N326 PolarHBondContact O-ND2 3.39Å; E322-N326 VanDerWaalsContact O-ND2 3.12Å; E322-N326 PolarHBondContact OE1-ND2 3.41Å
323	D	97.9	Very high	95.3	Very high	44 Å²	44	38 Å²	38	24%	0.235	17%	0.168	C	C	.	.	H	α-helix	trans	-65.3	-41.5	-178.1	-70.2	-19.4	0	0	0	111.5	H280 N281 L284 A320 N326 F327	H280-D323 IonicContact CD2-OD2 3.79Å; H280-D323 IonicContact CE1-OD2 3.62Å; H280-D323 PolarHBondContact CE1-OD2 2.78Å; H280-D323 IonicContact NE2-OD2 3.74Å; H280-D323 PolarHBondContact NE2-OD2 2.99Å; N281-D323 PolarHBondContact ND2-OD2 3.47Å; N281-D323 PolarHBondContact OD1-OD2 3.36Å; L284-D323 HydrophobicContact CD1-CB 4.42Å; A320-D323 PolarHBondContact O-N 3.22Å; D323-N326 PolarHBondContact O-N 2.87Å; D323-F327 VanDerWaalsContact O-CB 3.29Å; D323-F327 WeakPolarHBondContact O-CB 3.23Å; D323-F327 PolarHBondContact O-N 3.02Å
324	F	98.3	Very high	95.5	Very high	0 Å²	0	34 Å²	34	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-68.4	-44.7	176.4	-70.3	4.9	0	0	0	110.6	F152 I154 M166 L169 H280 L284 Q306 I309 A320 E322 N326 F327 F328	F152-F324 AromaticContact CE1-CD2 3.85Å; F152-F324 HydrophobicContact CE1-CD2 3.85Å; F152-F324 AromaticContact CE1-CE2 3.89Å; F152-F324 HydrophobicContact CE1-CE2 3.89Å; F152-F324 HydrophobicContact CE1-CG 4.36Å; F152-F324 HydrophobicContact CE1-CZ 4.38Å; F152-F324 HydrophobicContact CZ-CD1 4.21Å; F152-F324 HydrophobicContact CZ-CD2 4.04Å; F152-F324 HydrophobicContact CZ-CE1 4.17Å; F152-F324 HydrophobicContact CZ-CE2 4.05Å; F152-F324 HydrophobicContact CZ-CG 4.16Å; F152-F324 HydrophobicContact CZ-CZ 4.11Å; I154-F324 HydrophobicContact CD1-CD2 4.06Å; I154-F324 HydrophobicContact CD1-CE2 3.9Å; I154-F324 HydrophobicContact CG1-CE2 4.16Å; M166-F324 HydrophobicContact CE-CB 4.08Å; M166-F324 HydrophobicContact CE-CD2 3.2Å; M166-F324 HydrophobicContact CE-CE2 3.86Å; M166-F324 HydrophobicContact CE-CG 3.94Å; L169-F324 HydrophobicContact CD1-CB 4.28Å; L169-F324 HydrophobicContact CD2-CB 3.91Å; L169-F324 HydrophobicContact CD2-CD2 4.07Å; L169-F324 HydrophobicContact CG-CB 4.46Å; H280-F324 HydrophobicContact CB-CE1 4.48Å; H280-F324 AromaticContact CD2-CE1 3.99Å; L284-F324 HydrophobicContact CD1-CD1 3.7Å; L284-F324 HydrophobicContact CD1-CE1 3.92Å; L284-F324 HydrophobicContact CD2-CD1 4.03Å; L284-F324 HydrophobicContact CD2-CE1 3.98Å; L284-F324 HydrophobicContact CG-CD1 4.4Å; L284-F324 HydrophobicContact CG-CE1 4.3Å; Q306-F324 HydrophobicContact CB-CZ 4.3Å; Q306-F324 HydrophobicContact CG-CE2 4.43Å; Q306-F324 HydrophobicContact CG-CZ 3.86Å; I309-F324 HydrophobicContact CG2-CZ 4.11Å; A320-F324 HydrophobicContact CB-CD1 3.94Å; A320-F324 HydrophobicContact CB-CD2 4.45Å; A320-F324 HydrophobicContact CB-CE1 3.69Å; A320-F324 HydrophobicContact CB-CE2 4.19Å; A320-F324 HydrophobicContact CB-CG 4.32Å; A320-F324 HydrophobicContact CB-CZ 3.81Å; A320-F324 WeakPolarHBondContact O-CB 2.82Å; A320-F324 WeakPolarHBondContact O-CG 3.44Å; A320-F324 PolarHBondContact O-N 3.01Å; E322-F324 PolarHBondContact O-N 3.19Å; F324-N326 VanDerWaalsContact C-N 3.29Å; F324-N326 PolarHBondContact O-N 3.45Å; F324-F327 WeakPolarHBondContact O-CB 3.45Å; F324-F327 PolarHBondContact O-N 3.42Å; F324-F328 VanDerWaalsContact O-CD2 3.32Å; F324-F328 WeakPolarHBondContact O-CD2 3.29Å; F324-F328 PolarHBondContact O-N 3.38Å
325	A	98.6	Very high	95.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-56.3	-45.6	175.1	0	0	0	0	0	111.6	K168 V172 D321 E322 F328 R329	K168-A325 HydrophobicContact CB-CB 3.92Å; V172-A325 HydrophobicContact CG2-CB 3.97Å; D321-A325 VanDerWaalsContact O-CB 3.25Å; D321-A325 WeakPolarHBondContact O-CB 3.39Å; D321-A325 PolarHBondContact O-N 3.2Å; E322-A325 PolarHBondContact O-N 3.25Å; A325-F328 PolarHBondContact O-N 2.87Å; A325-R329 WeakPolarHBondContact O-CG 3.46Å; A325-R329 PolarHBondContact O-N 2.82Å
326	N	98.4	Very high	95.2	Very high	52 Å²	52	37.6 Å²	37.6	28%	0.278	18%	0.179	S	C	.	.	H	α-helix	trans	-68.4	-38.6	178.1	-71.7	-31.7	0	0	0	112.7	E322 D323 F324 R329 Q330	E322-N326 WeakPolarHBondContact O-CB 3.34Å; E322-N326 VanDerWaalsContact O-CG 3.28Å; E322-N326 PolarHBondContact O-N 3.33Å; E322-N326 PolarHBondContact O-ND2 3.39Å; E322-N326 VanDerWaalsContact O-ND2 3.12Å; E322-N326 PolarHBondContact OE1-ND2 3.41Å; D323-N326 PolarHBondContact O-N 2.87Å; F324-N326 VanDerWaalsContact C-N 3.29Å; F324-N326 PolarHBondContact O-N 3.45Å; N326-R329 PolarHBondContact O-N 3.49Å; N326-R329 PolarHBondContact OD1-NH1 3.29Å; N326-Q330 VanDerWaalsContact O-CG 3.28Å; N326-Q330 WeakPolarHBondContact O-CG 3.19Å; N326-Q330 PolarHBondContact O-N 3.44Å
327	F	98.2	Very high	94.8	Very high	7 Å²	7	38.5 Å²	38.5	3%	0.031	18%	0.184	C	C	.	.	H	α-helix	trans	-57.7	-49.6	171.6	165.4	-100.1	0	0	0	111.4	F152 L284 V287 K288 D323 F324 R329 Q330 I331	F152-F327 AromaticContact CD2-CE1 3.93Å; F152-F327 HydrophobicContact CD2-CE1 3.93Å; F152-F327 HydrophobicContact CE2-CD1 4.16Å; F152-F327 AromaticContact CE2-CE1 3.71Å; F152-F327 HydrophobicContact CE2-CE1 3.71Å; F152-F327 HydrophobicContact CE2-CZ 4.39Å; L284-F327 HydrophobicContact CB-CD2 3.85Å; L284-F327 HydrophobicContact CB-CE2 4.28Å; L284-F327 HydrophobicContact CB-CG 4.31Å; L284-F327 HydrophobicContact CD1-CB 4.08Å; L284-F327 HydrophobicContact CD1-CG 4.43Å; L284-F327 HydrophobicContact CD2-CB 4.45Å; L284-F327 HydrophobicContact CD2-CD1 4.06Å; L284-F327 HydrophobicContact CD2-CD2 4.19Å; L284-F327 HydrophobicContact CD2-CE1 4.34Å; L284-F327 HydrophobicContact CD2-CE2 4.45Å; L284-F327 HydrophobicContact CD2-CG 3.97Å; L284-F327 HydrophobicContact CG-CD2 4.47Å; L284-F327 HydrophobicContact CG-CG 4.46Å; L284-F327 VanDerWaalsContact O-CE2 3.25Å; L284-F327 WeakPolarHBondContact O-CE2 3.32Å; V287-F327 HydrophobicContact CB-CE2 4.25Å; V287-F327 HydrophobicContact CB-CZ 4.08Å; V287-F327 HydrophobicContact CG1-CE2 4.35Å; V287-F327 HydrophobicContact CG1-CZ 3.77Å; K288-F327 HydrophobicContact CB-CD2 4.4Å; K288-F327 HydrophobicContact CB-CE2 3.99Å; D323-F327 VanDerWaalsContact O-CB 3.29Å; D323-F327 WeakPolarHBondContact O-CB 3.23Å; D323-F327 PolarHBondContact O-N 3.02Å; F324-F327 WeakPolarHBondContact O-CB 3.45Å; F324-F327 PolarHBondContact O-N 3.42Å; F327-R329 VanDerWaalsContact C-N 3.3Å; F327-R329 PolarHBondContact O-N 3.32Å; F327-Q330 PolarHBondContact O-N 2.84Å; F327-Q330 VanDerWaalsContact O-N 3.1Å; F327-I331 HydrophobicContact CD1-CD1 4.35Å; F327-I331 HydrophobicContact CD2-CG2 3.92Å; F327-I331 HydrophobicContact CE1-CD1 3.67Å; F327-I331 HydrophobicContact CE2-CG2 3.53Å; F327-I331 HydrophobicContact CZ-CD1 3.78Å; F327-I331 HydrophobicContact CZ-CG2 3.87Å; F327-I331 WeakPolarHBondContact O-CG1 3.4Å; F327-I331 PolarHBondContact O-N 3.04Å
328	F	98.3	Very high	94.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.8	-34.3	178	-86.7	-84.6	0	0	0	112.2	F152 L169 V172 L173 Y177 F324 A325 I331 V342	F152-F328 HydrophobicContact CB-CZ 4.06Å; F152-F328 HydrophobicContact CD1-CE2 4.01Å; F152-F328 HydrophobicContact CD1-CZ 4.1Å; F152-F328 HydrophobicContact CD2-CE2 4.28Å; F152-F328 HydrophobicContact CD2-CZ 4.22Å; F152-F328 HydrophobicContact CE1-CE2 4.13Å; F152-F328 HydrophobicContact CE2-CE2 4.39Å; F152-F328 HydrophobicContact CG-CE2 4.09Å; F152-F328 AromaticContact CG-CZ 3.85Å; F152-F328 HydrophobicContact CG-CZ 3.85Å; F152-F328 HydrophobicContact CZ-CE2 4.33Å; L169-F328 HydrophobicContact CD1-CB 4.3Å; L169-F328 HydrophobicContact CD1-CD2 3.29Å; L169-F328 HydrophobicContact CD1-CE2 3.8Å; L169-F328 HydrophobicContact CD1-CG 3.93Å; V172-F328 HydrophobicContact CG1-CB 3.89Å; L173-F328 HydrophobicContact CD2-CD1 3.79Å; L173-F328 HydrophobicContact CD2-CE1 3.89Å; L173-F328 HydrophobicContact CD2-CG 4.24Å; L173-F328 HydrophobicContact CD2-CZ 4.41Å; Y177-F328 HydrophobicContact CE2-CB 4.05Å; Y177-F328 HydrophobicContact CE2-CD1 4.13Å; Y177-F328 WeakPolarHBondContact CE2-O 3.22Å; Y177-F328 PolarHBondContact OH-O 3.21Å; F324-F328 VanDerWaalsContact O-CD2 3.32Å; F324-F328 WeakPolarHBondContact O-CD2 3.29Å; F324-F328 PolarHBondContact O-N 3.38Å; A325-F328 PolarHBondContact O-N 2.87Å; F328-I331 HydrophobicContact CD1-CD1 4.18Å; F328-I331 HydrophobicContact CE1-CD1 4.37Å; F328-V342 HydrophobicContact CE1-CG2 3.93Å; F328-V342 HydrophobicContact CE2-CG2 4.35Å; F328-V342 HydrophobicContact CZ-CG2 3.51Å
329	R	97.9	Very high	94.6	Very high	95 Å²	95	37.8 Å²	37.8	36%	0.358	18%	0.181	S	C	.	.	H	α-helix	trans	-64.8	-45	170.9	-70.3	-179.4	-171.6	119.6	-0.3	112.4	V172 E176 A325 N326 F327 R332	V172-R329 HydrophobicContact CG1-CG 4.15Å; V172-R329 HydrophobicContact CG2-CG 4.19Å; V172-R329 VanDerWaalsContact CG2-CZ 3.5Å; V172-R329 VanDerWaalsContact CG2-NH2 3.29Å; E176-R329 IonicContact OE1-NE 2.62Å; E176-R329 PolarHBondContact OE1-NE 2.87Å; A325-R329 WeakPolarHBondContact O-CG 3.46Å; A325-R329 PolarHBondContact O-N 2.82Å; N326-R329 PolarHBondContact O-N 3.49Å; N326-R329 PolarHBondContact OD1-NH1 3.29Å; F327-R329 VanDerWaalsContact C-N 3.3Å; F327-R329 PolarHBondContact O-N 3.32Å; R329-R332 WeakPolarHBondContact O-CB 3.42Å; R329-R332 PolarHBondContact O-N 2.81Å
330	Q	96.5	Very high	94.7	Very high	94 Å²	94	36.7 Å²	36.7	44%	0.439	18%	0.175	S	C	.	.	H	α-helix	trans	-65	-39.9	-177.8	-73.3	173.5	22.8	0	0	112.9	K288 N326 F327 R332	K288-Q330 HydrophobicContact CD-CB 4.33Å; N326-Q330 VanDerWaalsContact O-CG 3.28Å; N326-Q330 WeakPolarHBondContact O-CG 3.19Å; N326-Q330 PolarHBondContact O-N 3.44Å; F327-Q330 PolarHBondContact O-N 2.84Å; F327-Q330 VanDerWaalsContact O-N 3.1Å; Q330-R332 VanDerWaalsContact C-N 3.26Å; Q330-R332 PolarHBondContact O-N 3.05Å
331	I	95.1	Very high	94.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-80.1	-6.5	-177.3	67.6	169.9	0	0	0	113.6	L150 K288 L291 F327 F328 E333 Y334 T335	L150-I331 HydrophobicContact CD2-CD1 4.4Å; K288-I331 HydrophobicContact CB-CG2 4.04Å; K288-I331 HydrophobicContact CG-CG2 4.06Å; L291-I331 HydrophobicContact CD1-CB 3.87Å; L291-I331 HydrophobicContact CD1-CD1 3.73Å; L291-I331 HydrophobicContact CD1-CG1 4.37Å; L291-I331 HydrophobicContact CD1-CG2 3.94Å; F327-I331 HydrophobicContact CD1-CD1 4.35Å; F327-I331 HydrophobicContact CD2-CG2 3.92Å; F327-I331 HydrophobicContact CE1-CD1 3.67Å; F327-I331 HydrophobicContact CE2-CG2 3.53Å; F327-I331 HydrophobicContact CZ-CD1 3.78Å; F327-I331 HydrophobicContact CZ-CG2 3.87Å; F327-I331 WeakPolarHBondContact O-CG1 3.4Å; F327-I331 PolarHBondContact O-N 3.04Å; F328-I331 HydrophobicContact CD1-CD1 4.18Å; F328-I331 HydrophobicContact CE1-CD1 4.37Å; I331-E333 PolarHBondContact O-N 3.33Å; I331-E333 VanDerWaalsContact O-N 3.16Å; I331-Y334 HydrophobicContact CB-CD2 4.41Å; I331-Y334 CarbonylContact O-C 3.41Å; I331-Y334 WeakPolarHBondContact O-CA 3.46Å; I331-Y334 WeakPolarHBondContact O-CB 3.35Å; I331-Y334 PolarHBondContact O-N 3.21Å; I331-T335 HydrophobicContact CB-CG2 4.33Å; I331-T335 HydrophobicContact CD1-CG2 3.94Å; I331-T335 HydrophobicContact CG1-CG2 4.05Å; I331-T335 WeakPolarHBondContact O-CG2 3.5Å; I331-T335 PolarHBondContact O-N 3.12Å; I331-T335 VanDerWaalsContact O-N 3.16Å; I331-T335 PolarHBondContact O-OG1 2.66Å
332	R	93.3	Very high	94.8	Very high	114 Å²	114	36.7 Å²	36.7	43%	0.43	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-56.1	-36.7	-173.5	-172.1	177.3	173.9	-130.6	2.5	113	Y177 R329 Q330 Y334 T335	Y177-R332 WeakPolarHBondContact OH-CA 3.32Å; Y177-R332 WeakPolarHBondContact OH-CB 3.41Å; Y177-R332 PolarHBondContact OH-N 2.8Å; R329-R332 WeakPolarHBondContact O-CB 3.42Å; R329-R332 PolarHBondContact O-N 2.81Å; Q330-R332 VanDerWaalsContact C-N 3.26Å; Q330-R332 PolarHBondContact O-N 3.05Å; R332-Y334 PolarHBondContact O-N 2.73Å; R332-T335 WeakPolarHBondContact CA-OG1 3.27Å; R332-T335 PolarHBondContact O-N 3.08Å; R332-T335 PolarHBondContact O-OG1 3.13Å
333	E	89.6	Confident	94.9	Very high	124 Å²	124	33 Å²	33	58%	0.579	16%	0.158	S	C	*	.	G	3₁₀ helix	trans	-68.3	-20.7	175.3	53.5	161.3	161.9	0	0	113.7	N295 I331	N295-E333 PolarHBondContact ND2-O 3.25Å; I331-E333 PolarHBondContact O-N 3.33Å; I331-E333 VanDerWaalsContact O-N 3.16Å
334	Y	89.4	Confident	94.9	Very high	28 Å²	28	30.9 Å²	30.9	11%	0.11	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-97.8	-8.9	179.5	-45.5	-39.9	0	0	0	113.1	R148 K288 L291 R292 N295 I331 R332	R148-Y334 PolarHBondContact NH1-O 2.81Å; K288-Y334 HydrophobicContact CG-CE2 4.26Å; L291-Y334 HydrophobicContact CB-CD2 4.43Å; R292-Y334 HydrophobicContact CB-CD1 4.31Å; R292-Y334 HydrophobicContact CB-CD2 3.91Å; R292-Y334 HydrophobicContact CB-CE1 4.15Å; R292-Y334 HydrophobicContact CB-CE2 3.72Å; R292-Y334 HydrophobicContact CB-CG 4.22Å; R292-Y334 WeakPolarHBondContact CD-OH 3.23Å; R292-Y334 HydrophobicContact CG-CD1 4.29Å; R292-Y334 HydrophobicContact CG-CE1 3.74Å; R292-Y334 HydrophobicContact CG-CE2 4.01Å; N295-Y334 HydrophobicContact CB-CD1 4.15Å; I331-Y334 HydrophobicContact CB-CD2 4.41Å; I331-Y334 CarbonylContact O-C 3.41Å; I331-Y334 WeakPolarHBondContact O-CA 3.46Å; I331-Y334 WeakPolarHBondContact O-CB 3.35Å; I331-Y334 PolarHBondContact O-N 3.21Å; R332-Y334 PolarHBondContact O-N 2.73Å
335	T	89.9	Confident	94.8	Very high	6 Å²	6	30.9 Å²	30.9	4%	0.037	15%	0.147	C	C	.	.			trans	-106.6	16.7	-175.3	59.2	0	0	0	0	114.3	L291 I331 R332 N337 V338 L340	L291-T335 HydrophobicContact CD1-CG2 4.2Å; I331-T335 HydrophobicContact CB-CG2 4.33Å; I331-T335 HydrophobicContact CD1-CG2 3.94Å; I331-T335 HydrophobicContact CG1-CG2 4.05Å; I331-T335 WeakPolarHBondContact O-CG2 3.5Å; I331-T335 PolarHBondContact O-N 3.12Å; I331-T335 VanDerWaalsContact O-N 3.16Å; I331-T335 PolarHBondContact O-OG1 2.66Å; R332-T335 WeakPolarHBondContact CA-OG1 3.27Å; R332-T335 PolarHBondContact O-N 3.08Å; R332-T335 PolarHBondContact O-OG1 3.13Å; T335-N337 PolarHBondContact O-N 2.81Å; T335-V338 HydrophobicContact CG2-CB 4.28Å; T335-V338 HydrophobicContact CG2-CG2 4.18Å; T335-V338 PolarHBondContact O-N 3.38Å; T335-L340 HydrophobicContact CG2-CD1 4.26Å; T335-L340 HydrophobicContact CG2-CD2 3.99Å
336	S	85.7	Confident	94.7	Very high	79 Å²	79	30.9 Å²	30.9	55%	0.552	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-7.8	-178.6	59.3	0	0	0	0	115.3	P373	S336-P373 WeakPolarHBondContact O-CB 3.26Å
337	N	85.4	Confident	94.5	Very high	39 Å²	39	28.4 Å²	28.4	21%	0.209	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-143.3	23.9	176.1	64.9	-10.4	0	0	0	112.4	P147 R148 T335	P147-N337 HydrophobicContact CB-CB 4.36Å; P147-N337 WeakPolarHBondContact CB-ND2 3.31Å; R148-N337 WeakPolarHBondContact CD-OD1 3.45Å; R148-N337 PolarHBondContact NE-OD1 2.7Å; R148-N337 PolarHBondContact NH1-OD1 3.27Å; T335-N337 PolarHBondContact O-N 2.81Å
338	V	92.3	Very high	94.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.135	C	C	.	.			trans	-104.9	126.9	178.6	-177.5	0	0	0	0	110	R148 L150 L291 T335 L340 P373	R148-V338 HydrophobicContact CB-CB 4.04Å; R148-V338 HydrophobicContact CB-CG1 4.2Å; R148-V338 HydrophobicContact CB-CG2 3.52Å; R148-V338 HydrophobicContact CG-CG2 3.99Å; L150-V338 HydrophobicContact CB-CG1 3.86Å; L291-V338 HydrophobicContact CD2-CG2 4.46Å; T335-V338 HydrophobicContact CG2-CB 4.28Å; T335-V338 HydrophobicContact CG2-CG2 4.18Å; T335-V338 PolarHBondContact O-N 3.38Å; V338-L340 HydrophobicContact CB-CD2 4.45Å; V338-L340 HydrophobicContact CG1-CD2 3.77Å; V338-L340 HydrophobicContact CG1-CG 4.17Å; V338-L340 PolarHBondContact O-N 3.47Å; V338-P373 WeakPolarHBondContact O-CG 3.33Å
339	V	94.7	Very high	93.9	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.012	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	117.7	161.2	-173.7	0	0	0	0	107.8	R148 L150 F341 V370 L372 L407 W413 F437	R148-V339 PolarHBondContact O-N 2.93Å; R148-V339 VanDerWaalsContact O-N 3.17Å; L150-V339 PolarHBondContact N-O 2.76Å; L150-V339 VanDerWaalsContact N-O 3.08Å; V339-F341 HydrophobicContact CB-CE2 4.13Å; V339-F341 HydrophobicContact CG1-CD2 4.21Å; V339-F341 HydrophobicContact CG1-CE1 4.49Å; V339-F341 HydrophobicContact CG1-CE2 3.48Å; V339-F341 VanDerWaalsContact CG1-CE2 3.48Å; V339-F341 HydrophobicContact CG1-CZ 3.64Å; V339-V370 HydrophobicContact CG1-CG1 4.19Å; V339-L372 HydrophobicContact CG1-CD2 4.23Å; V339-L372 HydrophobicContact CG2-CD2 4.11Å; V339-L407 HydrophobicContact CB-CD1 4.29Å; V339-L407 HydrophobicContact CG1-CD1 4.33Å; V339-L407 HydrophobicContact CG2-CD1 4.18Å; V339-L407 HydrophobicContact CG2-CD2 4.16Å; V339-W413 HydrophobicContact CG2-CH2 3.64Å; V339-W413 HydrophobicContact CG2-CZ3 4.06Å; V339-F437 HydrophobicContact CG1-CZ 4.42Å
340	L	97.3	Very high	93.4	Very high	5 Å²	5	27.3 Å²	27.3	3%	0.026	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	129.5	-179.3	-65.3	167.7	0	0	0	109.5	L150 Y177 T335 V338 V370 A371	L150-L340 HydrophobicContact CB-CD2 3.99Å; L150-L340 HydrophobicContact CD2-CD2 3.73Å; L150-L340 HydrophobicContact CG-CD2 4.34Å; Y177-L340 HydrophobicContact CD1-CD1 3.49Å; Y177-L340 VanDerWaalsContact CD1-CD1 3.49Å; Y177-L340 HydrophobicContact CE1-CD1 3.25Å; T335-L340 HydrophobicContact CG2-CD1 4.26Å; T335-L340 HydrophobicContact CG2-CD2 3.99Å; V338-L340 HydrophobicContact CB-CD2 4.45Å; V338-L340 HydrophobicContact CG1-CD2 3.77Å; V338-L340 HydrophobicContact CG1-CG 4.17Å; V338-L340 PolarHBondContact O-N 3.47Å; L340-V370 CarbonylContact O-C 3.58Å; L340-V370 WeakPolarHBondContact O-CA 3.49Å; L340-A371 HydrophobicContact CB-CB 4.22Å; L340-A371 PolarHBondContact N-O 3.03Å; L340-A371 PolarHBondContact O-N 2.96Å
341	F	98.5	Very high	92.9	Very high	1 Å²	1	24.3 Å²	24.3	0%	0.004	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	120.7	168.9	-62.1	-89.8	0	0	0	108.2	V149 L150 L151 F152 V339 L343 F368 I369 V370 L400 T403 L404 L407	V149-F341 HydrophobicContact CG1-CD2 3.85Å; V149-F341 HydrophobicContact CG1-CE2 3.78Å; L150-F341 PolarHBondContact O-N 2.82Å; L151-F341 HydrophobicContact CG-CB 4.32Å; L151-F341 HydrophobicContact CG-CD2 4.36Å; F152-F341 PolarHBondContact N-O 3.21Å; V339-F341 HydrophobicContact CB-CE2 4.13Å; V339-F341 HydrophobicContact CG1-CD2 4.21Å; V339-F341 HydrophobicContact CG1-CE1 4.49Å; V339-F341 HydrophobicContact CG1-CE2 3.48Å; V339-F341 VanDerWaalsContact CG1-CE2 3.48Å; V339-F341 HydrophobicContact CG1-CZ 3.64Å; F341-L343 HydrophobicContact CB-CD2 4.26Å; F341-F368 AromaticContact CD1-CE2 3.91Å; F341-F368 HydrophobicContact CD1-CE2 3.91Å; F341-F368 AromaticContact CD1-CZ 3.69Å; F341-F368 HydrophobicContact CD1-CZ 3.69Å; F341-F368 AromaticContact CE1-CZ 3.99Å; F341-F368 HydrophobicContact CE1-CZ 3.99Å; F341-I369 CarbonylContact C-O 3.46Å; F341-I369 WeakPolarHBondContact CA-O 3.27Å; F341-V370 HydrophobicContact CD1-CG1 4.33Å; F341-V370 HydrophobicContact CD1-CG2 3.79Å; F341-V370 HydrophobicContact CE1-CB 4.47Å; F341-V370 HydrophobicContact CE1-CG1 3.96Å; F341-V370 HydrophobicContact CE1-CG2 3.77Å; F341-V370 HydrophobicContact CZ-CG1 4.47Å; F341-L400 HydrophobicContact CD1-CD1 3.71Å; F341-L400 HydrophobicContact CE1-CD1 3.66Å; F341-L400 HydrophobicContact CG-CD1 4.19Å; F341-L400 HydrophobicContact CZ-CD1 4.1Å; F341-T403 HydrophobicContact CZ-CG2 4.18Å; F341-L404 HydrophobicContact CE2-CD2 4.15Å; F341-L407 HydrophobicContact CE2-CD1 4.21Å; F341-L407 HydrophobicContact CZ-CD1 4.16Å
342	V	98.5	Very high	92.7	Very high	2 Å²	2	28 Å²	28	1%	0.012	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	115.1	168.1	-179.3	0	0	0	0	107.2	F152 I154 F162 L173 F328 F368 I369	F152-V342 HydrophobicContact CB-CG2 4.36Å; F152-V342 HydrophobicContact CD1-CG1 4.36Å; F152-V342 WeakPolarHBondContact O-CA 3.04Å; I154-V342 HydrophobicContact CD1-CG1 4.39Å; F162-V342 HydrophobicContact CE2-CG1 4.21Å; F162-V342 HydrophobicContact CZ-CG1 4.35Å; L173-V342 HydrophobicContact CD1-CB 4.21Å; L173-V342 HydrophobicContact CD1-CG1 4.22Å; L173-V342 HydrophobicContact CD1-CG2 3.96Å; L173-V342 HydrophobicContact CD2-CG2 4Å; F328-V342 HydrophobicContact CE1-CG2 3.93Å; F328-V342 HydrophobicContact CE2-CG2 4.35Å; F328-V342 HydrophobicContact CZ-CG2 3.51Å; V342-F368 CarbonylContact O-C 3.41Å; V342-I369 HydrophobicContact CB-CB 4.18Å; V342-I369 PolarHBondContact N-O 2.95Å; V342-I369 WeakPolarHBondContact O-CB 3.27Å; V342-I369 PolarHBondContact O-N 3.48Å
343	L	98.4	Very high	92.5	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	172.8	-166.9	74.9	170.5	0	0	0	113.5	L151 F152 L153 I154 M199 F341 V367 F368 L400	L151-L343 HydrophobicContact CB-CD2 4.17Å; F152-L343 PolarHBondContact O-N 2.79Å; F152-L343 VanDerWaalsContact O-N 3.07Å; L153-L343 CarbonylContact C-O 3.53Å; L153-L343 VanDerWaalsContact CA-O 3.23Å; L153-L343 WeakPolarHBondContact CA-O 3.42Å; L153-L343 HydrophobicContact CB-CD2 3.91Å; L153-L343 HydrophobicContact CB-CG 4.29Å; L153-L343 HydrophobicContact CD1-CG 4.19Å; L153-L343 HydrophobicContact CG-CD2 4.34Å; L153-L343 HydrophobicContact CG-CG 4.16Å; I154-L343 PolarHBondContact N-O 2.94Å; M199-L343 HydrophobicContact SD-CD1 3.7Å; F341-L343 HydrophobicContact CB-CD2 4.26Å; L343-V367 CarbonylContact C-O 3.54Å; L343-V367 WeakPolarHBondContact CA-O 3.2Å; L343-F368 HydrophobicContact CB-CD2 3.69Å; L343-F368 HydrophobicContact CB-CE2 4.37Å; L343-F368 HydrophobicContact CD1-CD2 4.09Å; L343-F368 HydrophobicContact CD1-CE2 4.17Å; L343-L400 HydrophobicContact CD1-CD2 3.32Å
344	S	97.8	Very high	92.7	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	11%	0.106	C	C	.	.			trans	-130.5	159.1	169.2	-174.1	0	0	0	0	110.8	I154 S156 M157 H346 V367 H397	I154-S344 VanDerWaalsContact O-CB 3.3Å; I154-S344 WeakPolarHBondContact O-CB 3.06Å; I154-S344 PolarHBondContact O-OG 3.44Å; S156-S344 WeakPolarHBondContact CA-OG 3.26Å; M157-S344 PolarHBondContact N-OG 2.83Å; M157-S344 WeakPolarHBondContact O-CB 3.39Å; M157-S344 PolarHBondContact O-OG 2.98Å; S344-H346 PolarHBondContact OG-N 3.37Å; S344-H346 PolarHBondContact OG-O 2.63Å; S344-V367 PolarHBondContact N-O 3.07Å; S344-H397 PolarHBondContact O-NE2 3.31Å; S344-H397 VanDerWaalsContact O-NE2 3.15Å
345	D	97	Very high	92.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	-76.3	-42.7	172.1	58.9	-27.5	0	0	0	112.1	S156 S192 N195 W305 H397	S156-D345 WeakPolarHBondContact CB-OD1 3.29Å; S192-D345 WeakPolarHBondContact CA-OD2 3.27Å; S192-D345 WeakPolarHBondContact CB-OD2 3.4Å; S192-D345 PolarHBondContact OG-OD2 3.1Å; N195-D345 HydrophobicContact CB-CB 4.18Å; N195-D345 WeakPolarHBondContact CB-O 3.04Å; N195-D345 VanDerWaalsContact CG-O 3.24Å; N195-D345 PolarHBondContact ND2-O 2.99Å; W305-D345 HydrophobicContact CH2-CB 3.99Å; W305-D345 HydrophobicContact CZ2-CB 3.83Å; D345-H397 PolarHBondContact O-CE1 3.47Å; D345-H397 PolarHBondContact O-NE2 3.3Å
346	H	96.3	Very high	92.7	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.12	C	C	.	.			trans	-153.9	-175.5	173.1	51	69	0	0	0	111	D155 S156 M157 K187 N191 S192 S344 R349	D155-H346 IonicContact OD1-CE1 2.72Å; S156-H346 WeakPolarHBondContact CB-CE1 3.31Å; S156-H346 WeakPolarHBondContact CB-ND1 3.36Å; S156-H346 WeakPolarHBondContact CB-O 3.42Å; S156-H346 PolarHBondContact OG-CE1 3.04Å; S156-H346 PolarHBondContact OG-ND1 2.81Å; M157-H346 CarbonylContact C-O 3.57Å; M157-H346 PolarHBondContact N-O 2.99Å; M157-H346 VanDerWaalsContact N-O 3.15Å; K187-H346 HydrophobicContact CD-CB 3.82Å; N191-H346 VanDerWaalsContact CA-CD2 3.46Å; N191-H346 WeakPolarHBondContact CA-CD2 3.44Å; S192-H346 PolarHBondContact N-CD2 2.58Å; S192-H346 VanDerWaalsContact N-CD2 3.34Å; S192-H346 PolarHBondContact N-NE2 2.73Å; S192-H346 VanDerWaalsContact N-NE2 3.17Å; S192-H346 PolarHBondContact OG-NE2 3.31Å; S344-H346 PolarHBondContact OG-N 3.37Å; S344-H346 PolarHBondContact OG-O 2.63Å; H346-R349 WeakPolarHBondContact CE1-CD 3.17Å; H346-R349 VanDerWaalsContact NE2-CD 3.28Å; H346-R349 WeakPolarHBondContact NE2-CD 3.28Å
347	G	95	Very high	92.8	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	-93.2	-171.2	162.8	0	0	0	0	0	112.2	S156 R349 E363	S156-G347 PolarHBondContact OG-O 3.48Å; G347-R349 PolarHBondContact O-N 3.47Å; G347-R349 VanDerWaalsContact O-N 3.12Å; G347-E363 PolarHBondContact N-O 2.86Å
348	Q	92.6	Very high	93.1	Very high	12 Å²	12	17.1 Å²	17.1	6%	0.056	10%	0.101	C	C	.	.			trans	-60.1	114.8	-175.9	-175.5	67.7	21.7	0	0	112.2	F350 I353 R354	Q348-F350 WeakPolarHBondContact CG-O 3.38Å; Q348-F350 PolarHBondContact NE2-O 3.47Å; Q348-I353 HydrophobicContact CG-CG2 4.37Å; Q348-R354 WeakPolarHBondContact O-CD 3.34Å; Q348-R354 VanDerWaalsContact O-CG 3.24Å; Q348-R354 WeakPolarHBondContact O-CG 3.12Å
349	R	90.4	Very high	93	Very high	37 Å²	37	17.2 Å²	17.2	14%	0.14	10%	0.102	C	C	.	.			trans	-74.3	-26.5	-177.3	-72.6	168	52.4	71.9	-2.6	115.5	D190 N191 H346 G347	D190-R349 PolarHBondContact O-NH1 2.88Å; D190-R349 IonicContact OD1-CZ 2.7Å; D190-R349 IonicContact OD1-NH1 3.79Å; D190-R349 PolarHBondContact OD1-NH1 3.37Å; D190-R349 IonicContact OD1-NH2 2.78Å; D190-R349 IonicContact OD2-CZ 3.33Å; D190-R349 IonicContact OD2-NH1 2.9Å; D190-R349 PolarHBondContact OD2-NH1 3.42Å; D190-R349 VanDerWaalsContact OD2-NH1 3.1Å; D190-R349 IonicContact OD2-NH2 2.6Å; D190-R349 PolarHBondContact OD2-NH2 3.27Å; N191-R349 VanDerWaalsContact CB-CZ 3.48Å; H346-R349 WeakPolarHBondContact CE1-CD 3.17Å; H346-R349 VanDerWaalsContact NE2-CD 3.28Å; H346-R349 WeakPolarHBondContact NE2-CD 3.28Å; G347-R349 PolarHBondContact O-N 3.47Å; G347-R349 VanDerWaalsContact O-N 3.12Å
350	F	87.8	Confident	92.9	Very high	30 Å²	30	17.3 Å²	17.3	13%	0.132	10%	0.102	C	C	.	.	S	Bend	trans	-144	164.9	-173.1	54.8	-104.2	0	0	0	113	Q348 I573 K575	Q348-F350 WeakPolarHBondContact CG-O 3.38Å; Q348-F350 PolarHBondContact NE2-O 3.47Å; F350-I573 WeakPolarHBondContact CA-O 3.43Å; F350-I573 VanDerWaalsContact CB-O 3.29Å; F350-I573 WeakPolarHBondContact CB-O 3.3Å; F350-K575 HydrophobicContact CD2-CD 4.28Å; F350-K575 VanDerWaalsContact CD2-CE 3.48Å; F350-K575 HydrophobicContact CD2-CG 3.76Å; F350-K575 HydrophobicContact CE2-CD 4.15Å; F350-K575 HydrophobicContact CE2-CG 4.08Å; F350-K575 HydrophobicContact CG-CG 4.11Å
351	G	86.5	Confident	92.6	Very high	32 Å²	32	17.9 Å²	17.9	33%	0.33	11%	0.105	S	C	.	.	S	Bend	trans	110	172.7	178.8	0	0	0	0	0	111.5	I353 R354 I573	G351-I353 PolarHBondContact O-N 2.88Å; G351-I353 VanDerWaalsContact O-N 3.11Å; G351-R354 WeakPolarHBondContact O-CB 3.47Å; G351-R354 PolarHBondContact O-N 2.91Å; G351-I573 PolarHBondContact N-O 3.41Å
352	S	89.3	Confident	92.4	Very high	78 Å²	78	18.1 Å²	18.1	55%	0.545	11%	0.105	S	C	.	.	G	3₁₀ helix	trans	-60.7	-30.6	-166.9	-51.9	0	0	0	0	114.3	R354 H355	S352-R354 PolarHBondContact O-N 3.29Å; S352-H355 WeakPolarHBondContact O-CB 3.24Å; S352-H355 PolarHBondContact O-N 3.25Å; S352-H355 VanDerWaalsContact O-N 3.1Å
353	I	90.5	Very high	92.3	Very high	8 Å²	8	18.2 Å²	18.2	4%	0.041	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-59	-30.1	174	-167.3	174.3	0	0	0	112.2	V68 Y71 I314 Q348 G351 H355 T356 G359	V68-I353 HydrophobicContact CG1-CD1 3.8Å; V68-I353 HydrophobicContact CG2-CD1 4.38Å; Y71-I353 HydrophobicContact CD1-CB 4.39Å; Y71-I353 HydrophobicContact CD2-CB 3.98Å; Y71-I353 HydrophobicContact CD2-CG1 3.95Å; Y71-I353 HydrophobicContact CE2-CB 4.44Å; Y71-I353 HydrophobicContact CE2-CG1 4.47Å; Y71-I353 HydrophobicContact CG-CB 3.93Å; Y71-I353 HydrophobicContact CG-CG1 4.32Å; I314-I353 HydrophobicContact CD1-CD1 3.39Å; I314-I353 HydrophobicContact CD1-CG2 4.28Å; Q348-I353 HydrophobicContact CG-CG2 4.37Å; G351-I353 PolarHBondContact O-N 2.88Å; G351-I353 VanDerWaalsContact O-N 3.11Å; I353-H355 PolarHBondContact O-N 3.39Å; I353-H355 VanDerWaalsContact O-N 3.13Å; I353-T356 PolarHBondContact O-N 3.17Å; I353-T356 PolarHBondContact O-OG1 3.44Å; I353-G359 WeakPolarHBondContact O-CA 3.36Å
354	R	92.6	Very high	92.1	Very high	3 Å²	3	18.3 Å²	18.3	1%	0.011	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-71.6	-3.7	179.1	-72.4	-61.5	-66.6	100.3	-1	114.5	Q348 G351 S352 T356 G359 R360 E363 E552 I573	Q348-R354 WeakPolarHBondContact O-CD 3.34Å; Q348-R354 VanDerWaalsContact O-CG 3.24Å; Q348-R354 WeakPolarHBondContact O-CG 3.12Å; G351-R354 WeakPolarHBondContact O-CB 3.47Å; G351-R354 PolarHBondContact O-N 2.91Å; S352-R354 PolarHBondContact O-N 3.29Å; R354-T356 VanDerWaalsContact C-N 3.32Å; R354-G359 WeakPolarHBondContact CD-O 3.42Å; R354-R360 VanDerWaalsContact CZ-CA 3.47Å; R354-R360 VanDerWaalsContact NH1-CB 3.3Å; R354-R360 VanDerWaalsContact NH1-N 3.14Å; R354-E363 IonicContact CZ-OE2 2.75Å; R354-E363 IonicContact NE-OE2 3.19Å; R354-E363 PolarHBondContact NE-OE2 3.37Å; R354-E363 IonicContact NH2-OE2 2.72Å; R354-E363 PolarHBondContact NH2-OE2 3.13Å; R354-E552 IonicContact CZ-OE2 3.87Å; R354-E552 IonicContact NH1-OE2 2.83Å; R354-E552 IonicContact NH2-OE1 3.72Å; R354-E552 IonicContact NH2-OE2 3.73Å; R354-E552 PolarHBondContact NH2-OE2 2.87Å; R354-E552 VanDerWaalsContact NH2-OE2 3.12Å; R354-I573 HydrophobicContact CB-CB 4.22Å
355	H	91	Very high	92	Very high	72 Å²	72	18.6 Å²	18.6	33%	0.333	11%	0.108	S	C	.	.	G	3₁₀ helix	trans	-86.2	-1	167.6	-64.5	-61.2	0	0	0	113.7	S352 I353 H550 I573	S352-H355 WeakPolarHBondContact O-CB 3.24Å; S352-H355 PolarHBondContact O-N 3.25Å; S352-H355 VanDerWaalsContact O-N 3.1Å; I353-H355 PolarHBondContact O-N 3.39Å; I353-H355 VanDerWaalsContact O-N 3.13Å; H355-H550 AromaticContact CE1-CE1 3.94Å; H355-H550 AromaticContact CE1-CG 3.87Å; H355-H550 AromaticContact CE1-ND1 3.03Å; H355-H550 PolarHBondContact CE1-ND1 3.05Å; H355-H550 AromaticContact NE2-CE1 3.86Å; H355-H550 AromaticContact NE2-ND1 3.14Å; H355-H550 PolarHBondContact NE2-ND1 2.95Å; H355-H550 VanDerWaalsContact NE2-ND1 3.14Å; H355-I573 WeakPolarHBondContact CE1-CD1 3.48Å; H355-I573 WeakPolarHBondContact ND1-CD1 3.21Å
356	T	89.6	Confident	92	Very high	20 Å²	20	18.7 Å²	18.7	12%	0.123	11%	0.109	C	C	.	.	S	Bend	trans	-103.1	153.8	175.9	78.1	0	0	0	0	111.7	Y71 I353 R354 V358 G359 R360	Y71-T356 HydrophobicContact CE2-CG2 3.8Å; I353-T356 PolarHBondContact O-N 3.17Å; I353-T356 PolarHBondContact O-OG1 3.44Å; R354-T356 VanDerWaalsContact C-N 3.32Å; T356-V358 VanDerWaalsContact C-N 3.25Å; T356-V358 PolarHBondContact O-N 3.01Å; T356-G359 PolarHBondContact O-N 3.08Å; T356-G359 PolarHBondContact OG1-N 3.33Å; T356-R360 PolarHBondContact O-N 3.45Å; T356-R360 VanDerWaalsContact O-N 3.09Å
357	V	88.1	Confident	92.1	Very high	45 Å²	45	18.7 Å²	18.7	27%	0.273	11%	0.109	S	C	.	.	H	α-helix	trans	-58.4	-40.9	173.8	176.5	0	0	0	0	110.6	R360 M361 Y506	V357-R360 WeakPolarHBondContact O-CB 3.29Å; V357-R360 PolarHBondContact O-N 2.85Å; V357-M361 WeakPolarHBondContact O-CG 3.37Å; V357-M361 PolarHBondContact O-N 3.08Å; V357-Y506 HydrophobicContact CG2-CD1 4.42Å; V357-Y506 HydrophobicContact CG2-CE1 3.54Å
358	V	90.2	Very high	92.3	Very high	12 Å²	12	18.7 Å²	18.7	7%	0.073	11%	0.109	C	C	.	.	H	α-helix	trans	-65.1	-44.2	178.3	-176	0	0	0	0	111.1	I61 D65 L67 V68 T356 R360 M361 E362	I61-V358 HydrophobicContact CG2-CG1 3.64Å; D65-V358 HydrophobicContact CB-CG2 4.29Å; L67-V358 HydrophobicContact CB-CG2 4.16Å; L67-V358 HydrophobicContact CD1-CG2 4.05Å; V68-V358 HydrophobicContact CG2-CB 3.73Å; V68-V358 HydrophobicContact CG2-CG1 3.27Å; V68-V358 HydrophobicContact CG2-CG2 4.43Å; T356-V358 VanDerWaalsContact C-N 3.25Å; T356-V358 PolarHBondContact O-N 3.01Å; V358-R360 PolarHBondContact O-N 3.41Å; V358-M361 PolarHBondContact O-N 3.39Å; V358-M361 VanDerWaalsContact O-N 3.11Å; V358-E362 HydrophobicContact CG1-CG 4.27Å; V358-E362 WeakPolarHBondContact O-CB 3.41Å; V358-E362 WeakPolarHBondContact O-CG 3.36Å; V358-E362 PolarHBondContact O-N 2.96Å
359	G	91.7	Very high	92.6	Very high	2 Å²	2	18.1 Å²	18.1	2%	0.021	11%	0.106	C	C	.	.	H	α-helix	trans	-59.8	-35.2	176.2	0	0	0	0	0	112.8	I353 R354 T356 E363	I353-G359 WeakPolarHBondContact O-CA 3.36Å; R354-G359 WeakPolarHBondContact CD-O 3.42Å; T356-G359 PolarHBondContact O-N 3.08Å; T356-G359 PolarHBondContact OG1-N 3.33Å; G359-E363 PolarHBondContact O-N 2.91Å
360	R	91.5	Very high	93	Very high	5 Å²	5	16.4 Å²	16.4	2%	0.019	10%	0.1	C	C	.	.	H	α-helix	trans	-65.9	-45.5	173	-173	179.9	-175.8	-80.8	-6.8	112.2	R354 T356 V357 V358 E362 E363 N364 E454 Q461 L539 E552	R354-R360 VanDerWaalsContact CZ-CA 3.47Å; R354-R360 VanDerWaalsContact NH1-CB 3.3Å; R354-R360 VanDerWaalsContact NH1-N 3.14Å; T356-R360 PolarHBondContact O-N 3.45Å; T356-R360 VanDerWaalsContact O-N 3.09Å; V357-R360 WeakPolarHBondContact O-CB 3.29Å; V357-R360 PolarHBondContact O-N 2.85Å; V358-R360 PolarHBondContact O-N 3.41Å; R360-E362 VanDerWaalsContact C-N 3.32Å; R360-E363 PolarHBondContact O-N 2.65Å; R360-N364 PolarHBondContact O-N 2.77Å; R360-N364 PolarHBondContact O-ND2 2.9Å; R360-E454 PolarHBondContact NH2-O 3.28Å; R360-Q461 VanDerWaalsContact NH1-NE2 3.16Å; R360-L539 VanDerWaalsContact CD-CD2 3.48Å; R360-E552 WeakPolarHBondContact CD-OE1 3.5Å; R360-E552 IonicContact CZ-OE1 4Å; R360-E552 IonicContact NE-OE1 3.36Å; R360-E552 PolarHBondContact NE-OE1 2.88Å; R360-E552 IonicContact NE-OE2 2.61Å; R360-E552 IonicContact NH2-OE1 3.68Å
361	M	92	Very high	93.4	Very high	17 Å²	17	15.2 Å²	15.2	8%	0.084	10%	0.095	C	C	.	.	H	α-helix	trans	-65.2	-39	177.5	-63.2	-55.5	-161.5	0	0	111.4	P59 I61 V357 V358 N364 T365 T457 Q461	P59-M361 HydrophobicContact CG-CE 4.44Å; P59-M361 HydrophobicContact CG-SD 4.36Å; I61-M361 HydrophobicContact CD1-CB 3.46Å; I61-M361 VanDerWaalsContact CD1-CB 3.46Å; I61-M361 HydrophobicContact CG1-CB 4.16Å; V357-M361 WeakPolarHBondContact O-CG 3.37Å; V357-M361 PolarHBondContact O-N 3.08Å; V358-M361 PolarHBondContact O-N 3.39Å; V358-M361 VanDerWaalsContact O-N 3.11Å; M361-N364 PolarHBondContact O-N 2.89Å; M361-T365 WeakPolarHBondContact O-CG2 3.47Å; M361-T365 PolarHBondContact O-N 3.1Å; M361-T365 PolarHBondContact O-OG1 2.72Å; M361-T457 HydrophobicContact SD-CG2 4Å; M361-Q461 HydrophobicContact CE-CG 4.47Å; M361-Q461 VanDerWaalsContact CE-NE2 3.26Å
362	E	94.2	Very high	93.8	Very high	5 Å²	5	14.3 Å²	14.3	2%	0.023	8%	0.083	C	C	.	.	H	α-helix	trans	-64.3	-39.7	175.6	-78.8	-161.8	-165.4	0	0	113.1	I61 S158 S160 R164 V358 R360 N364 T365	I61-E362 HydrophobicContact CD1-CG 4.47Å; S158-E362 WeakPolarHBondContact CB-O 3.5Å; S158-E362 VanDerWaalsContact OG-CD 3.3Å; S158-E362 PolarHBondContact OG-OE2 3.29Å; S160-E362 VanDerWaalsContact CB-OE1 3.24Å; S160-E362 WeakPolarHBondContact CB-OE1 3.34Å; R164-E362 IonicContact CZ-OE1 3.91Å; R164-E362 VanDerWaalsContact CZ-OE1 3.27Å; R164-E362 IonicContact CZ-OE2 2.93Å; R164-E362 IonicContact NH1-OE1 3.19Å; R164-E362 PolarHBondContact NH1-OE1 3.23Å; R164-E362 IonicContact NH1-OE2 3.96Å; R164-E362 VanDerWaalsContact NH2-CD 3.26Å; R164-E362 IonicContact NH2-OE1 3.36Å; R164-E362 PolarHBondContact NH2-OE1 3.41Å; R164-E362 IonicContact NH2-OE2 3.12Å; R164-E362 PolarHBondContact NH2-OE2 2.84Å; V358-E362 HydrophobicContact CG1-CG 4.27Å; V358-E362 WeakPolarHBondContact O-CB 3.41Å; V358-E362 WeakPolarHBondContact O-CG 3.36Å; V358-E362 PolarHBondContact O-N 2.96Å; R360-E362 VanDerWaalsContact C-N 3.32Å; E362-N364 PolarHBondContact O-N 2.84Å; E362-T365 PolarHBondContact O-N 2.76Å
363	E	94.9	Very high	93.9	Very high	4 Å²	4	10.9 Å²	10.9	2%	0.019	6%	0.058	C	C	.	.	H	α-helix	trans	-57.5	-40.1	174.5	-170	-164.4	163.6	0	0	111.5	K187 G347 R354 G359 R360	K187-E363 WeakPolarHBondContact CD-O 3.25Å; K187-E363 IonicContact NZ-OE1 3.03Å; K187-E363 PolarHBondContact NZ-OE1 3.46Å; G347-E363 PolarHBondContact N-O 2.86Å; R354-E363 IonicContact CZ-OE2 2.75Å; R354-E363 IonicContact NE-OE2 3.19Å; R354-E363 PolarHBondContact NE-OE2 3.37Å; R354-E363 IonicContact NH2-OE2 2.72Å; R354-E363 PolarHBondContact NH2-OE2 3.13Å; G359-E363 PolarHBondContact O-N 2.91Å; R360-E363 PolarHBondContact O-N 2.65Å
364	N	95.5	Very high	93.9	Very high	3 Å²	3	17 Å²	17	2%	0.016	9%	0.085	C	C	.	.	H	α-helix	trans	-82.8	-16.5	-175.7	-68	-58.1	0	0	0	113.7	N186 K187 R360 M361 E362 P366 Y455 T457	N186-N364 WeakPolarHBondContact CA-O 3.38Å; N186-N364 PolarHBondContact OD1-O 2.89Å; N186-N364 VanDerWaalsContact OD1-O 3.13Å; K187-N364 WeakPolarHBondContact CE-OD1 3.39Å; K187-N364 PolarHBondContact N-O 3.4Å; R360-N364 PolarHBondContact O-N 2.77Å; R360-N364 PolarHBondContact O-ND2 2.9Å; M361-N364 PolarHBondContact O-N 2.89Å; E362-N364 PolarHBondContact O-N 2.84Å; N364-P366 WeakPolarHBondContact O-CD 3.36Å; N364-Y455 WeakPolarHBondContact OD1-CA 3.27Å; N364-Y455 WeakPolarHBondContact OD1-CD1 3.49Å; N364-T457 HydrophobicContact CB-CG2 3.43Å; N364-T457 VanDerWaalsContact CB-CG2 3.43Å
365	T	95.7	Very high	93.7	Very high	6 Å²	6	22 Å²	22	4%	0.037	11%	0.108	C	C	.	.	S	Bend	trans	-113.8	72.6	-177.7	54.5	0	0	0	0	112.2	S158 R159 F185 M361 E362 T457	S158-T365 CarbonylContact C-O 3.58Å; S158-T365 VanDerWaalsContact CA-O 3.29Å; S158-T365 WeakPolarHBondContact CA-O 3.39Å; R159-T365 PolarHBondContact N-O 2.67Å; F185-T365 WeakPolarHBondContact O-CA 3.49Å; M361-T365 WeakPolarHBondContact O-CG2 3.47Å; M361-T365 PolarHBondContact O-N 3.1Å; M361-T365 PolarHBondContact O-OG1 2.72Å; E362-T365 PolarHBondContact O-N 2.76Å; T365-T457 HydrophobicContact CG2-CG2 4.1Å
366	P	97.5	Very high	93.7	Very high	1 Å²	1	19 Å²	19	1%	0.006	10%	0.095	C	C	.	.	B	Isolated β-bridge	trans	-59.1	151.5	175.5	17.5	-22.6	0	0	0	111.8	M157 F185 K187 N364 F368	M157-P366 WeakPolarHBondContact O-CA 3.37Å; F185-P366 HydrophobicContact CD1-CG 3.98Å; F185-P366 HydrophobicContact CE1-CG 4.24Å; K187-P366 HydrophobicContact CB-CG 4.28Å; N364-P366 WeakPolarHBondContact O-CD 3.36Å; P366-F368 PolarHBondContact O-N 2.93Å
367	V	97.8	Very high	93.9	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.101	C	C	.	.			trans	-62.3	137.4	170.7	64.8	0	0	0	0	109.9	M157 F162 M181 L343 S344 I369	M157-V367 HydrophobicContact CB-CG1 4.08Å; M157-V367 PolarHBondContact O-N 2.87Å; F162-V367 HydrophobicContact CB-CB 3.95Å; F162-V367 HydrophobicContact CB-CG1 4.31Å; F162-V367 HydrophobicContact CB-CG2 3.87Å; F162-V367 HydrophobicContact CD1-CG2 4.02Å; F162-V367 HydrophobicContact CD2-CB 4.39Å; F162-V367 HydrophobicContact CD2-CG1 4.03Å; F162-V367 HydrophobicContact CD2-CG2 4.04Å; F162-V367 HydrophobicContact CG-CB 4.22Å; F162-V367 HydrophobicContact CG-CG1 4.35Å; F162-V367 HydrophobicContact CG-CG2 3.72Å; M181-V367 HydrophobicContact CE-CG2 4.2Å; L343-V367 CarbonylContact C-O 3.54Å; L343-V367 WeakPolarHBondContact CA-O 3.2Å; S344-V367 PolarHBondContact N-O 3.07Å; V367-I369 HydrophobicContact CG2-CD1 3.84Å; V367-I369 HydrophobicContact CG2-CG1 3.9Å
368	F	98.6	Very high	94.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	118.3	171.4	-178.1	-97.1	0	0	0	109.2	F182 F185 F341 V342 L343 P366 V370 L400 L436	F182-F368 HydrophobicContact CB-CB 4.42Å; F182-F368 HydrophobicContact CB-CD1 3.81Å; F182-F368 HydrophobicContact CD1-CD1 4.1Å; F182-F368 HydrophobicContact CD1-CE1 4.24Å; F182-F368 AromaticContact CD2-CD1 3.53Å; F182-F368 HydrophobicContact CD2-CD1 3.53Å; F182-F368 AromaticContact CD2-CE1 3.77Å; F182-F368 HydrophobicContact CD2-CE1 3.77Å; F182-F368 HydrophobicContact CE1-CE1 4.38Å; F182-F368 HydrophobicContact CE2-CD1 4.15Å; F182-F368 AromaticContact CE2-CE1 3.9Å; F182-F368 HydrophobicContact CE2-CE1 3.9Å; F182-F368 AromaticContact CG-CD1 3.53Å; F182-F368 HydrophobicContact CG-CD1 3.53Å; F182-F368 AromaticContact CG-CE1 3.98Å; F182-F368 HydrophobicContact CG-CE1 3.98Å; F182-F368 HydrophobicContact CZ-CE1 4.22Å; F182-F368 PolarHBondContact N-O 2.94Å; F185-F368 HydrophobicContact CB-CB 3.72Å; F185-F368 HydrophobicContact CB-CG 4.41Å; F185-F368 HydrophobicContact CD1-CB 3.62Å; F185-F368 HydrophobicContact CD1-CG 4.15Å; F185-F368 HydrophobicContact CD2-CB 3.66Å; F185-F368 AromaticContact CD2-CD1 3.57Å; F185-F368 HydrophobicContact CD2-CD1 3.57Å; F185-F368 HydrophobicContact CD2-CD2 4.01Å; F185-F368 HydrophobicContact CD2-CE1 4.19Å; F185-F368 AromaticContact CD2-CG 3.45Å; F185-F368 HydrophobicContact CD2-CG 3.45Å; F185-F368 VanDerWaalsContact CD2-CG 3.45Å; F185-F368 HydrophobicContact CE1-CB 4.1Å; F185-F368 HydrophobicContact CE1-CD2 4.17Å; F185-F368 HydrophobicContact CE1-CG 4.27Å; F185-F368 HydrophobicContact CE2-CB 4.15Å; F185-F368 AromaticContact CE2-CD1 3.89Å; F185-F368 HydrophobicContact CE2-CD1 3.89Å; F185-F368 AromaticContact CE2-CD2 3.64Å; F185-F368 HydrophobicContact CE2-CD2 3.64Å; F185-F368 HydrophobicContact CE2-CE1 4.18Å; F185-F368 AromaticContact CE2-CE2 3.99Å; F185-F368 HydrophobicContact CE2-CE2 3.99Å; F185-F368 AromaticContact CE2-CG 3.6Å; F185-F368 HydrophobicContact CE2-CG 3.6Å; F185-F368 HydrophobicContact CE2-CZ 4.23Å; F185-F368 HydrophobicContact CG-CB 3.38Å; F185-F368 HydrophobicContact CG-CD1 4.18Å; F185-F368 HydrophobicContact CG-CD2 4.43Å; F185-F368 AromaticContact CG-CG 3.75Å; F185-F368 HydrophobicContact CG-CG 3.75Å; F185-F368 HydrophobicContact CZ-CB 4.35Å; F185-F368 AromaticContact CZ-CD2 3.73Å; F185-F368 HydrophobicContact CZ-CD2 3.73Å; F185-F368 HydrophobicContact CZ-CE2 4.25Å; F185-F368 HydrophobicContact CZ-CG 4.01Å; F341-F368 AromaticContact CD1-CE2 3.91Å; F341-F368 HydrophobicContact CD1-CE2 3.91Å; F341-F368 AromaticContact CD1-CZ 3.69Å; F341-F368 HydrophobicContact CD1-CZ 3.69Å; F341-F368 AromaticContact CE1-CZ 3.99Å; F341-F368 HydrophobicContact CE1-CZ 3.99Å; V342-F368 CarbonylContact O-C 3.41Å; L343-F368 HydrophobicContact CB-CD2 3.69Å; L343-F368 HydrophobicContact CB-CE2 4.37Å; L343-F368 HydrophobicContact CD1-CD2 4.09Å; L343-F368 HydrophobicContact CD1-CE2 4.17Å; P366-F368 PolarHBondContact O-N 2.93Å; F368-V370 HydrophobicContact CD1-CG2 4.23Å; F368-V370 HydrophobicContact CE1-CG2 3.42Å; F368-V370 VanDerWaalsContact CE1-CG2 3.42Å; F368-V370 HydrophobicContact CZ-CG2 3.73Å; F368-L400 HydrophobicContact CE2-CB 4.37Å; F368-L400 HydrophobicContact CE2-CD1 3.98Å; F368-L400 HydrophobicContact CE2-CD2 3.85Å; F368-L400 HydrophobicContact CE2-CG 4.3Å; F368-L400 HydrophobicContact CZ-CD1 4.1Å; F368-L436 HydrophobicContact CE1-CD1 3.47Å; F368-L436 VanDerWaalsContact CE1-CD1 3.47Å; F368-L436 HydrophobicContact CZ-CD1 3.67Å
369	I	98.7	Very high	94.4	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	134	-174.6	-60.1	168.8	0	0	0	108.1	F162 L173 S179 I180 M181 F341 V342 V367	F162-I369 HydrophobicContact CD1-CD1 4.17Å; F162-I369 HydrophobicContact CE1-CD1 3.56Å; F162-I369 HydrophobicContact CZ-CD1 3.84Å; L173-I369 HydrophobicContact CD1-CD1 3.91Å; S179-I369 VanDerWaalsContact CB-CG2 3.4Å; S179-I369 WeakPolarHBondContact OG-CG2 3.32Å; I180-I369 CarbonylContact O-C 3.58Å; I180-I369 WeakPolarHBondContact O-CA 3.42Å; M181-I369 HydrophobicContact CB-CG1 4.02Å; M181-I369 HydrophobicContact CE-CD1 3.58Å; M181-I369 HydrophobicContact CE-CG1 3.9Å; M181-I369 HydrophobicContact CG-CG1 3.99Å; F341-I369 CarbonylContact C-O 3.46Å; F341-I369 WeakPolarHBondContact CA-O 3.27Å; V342-I369 HydrophobicContact CB-CB 4.18Å; V342-I369 PolarHBondContact N-O 2.95Å; V342-I369 WeakPolarHBondContact O-CB 3.27Å; V342-I369 PolarHBondContact O-N 3.48Å; V367-I369 HydrophobicContact CG2-CD1 3.84Å; V367-I369 HydrophobicContact CG2-CG1 3.9Å
370	V	98.4	Very high	94.5	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.006	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	134	176.2	-172.7	0	0	0	0	109	S179 I180 F182 V339 L340 F341 F368 L387	S179-V370 CarbonylContact C-O 3.42Å; S179-V370 WeakPolarHBondContact CA-O 3.44Å; I180-V370 PolarHBondContact N-O 3.25Å; I180-V370 PolarHBondContact O-N 2.84Å; F182-V370 HydrophobicContact CD2-CG2 4.21Å; F182-V370 HydrophobicContact CE2-CB 4.27Å; F182-V370 HydrophobicContact CE2-CG2 3.6Å; F182-V370 HydrophobicContact CZ-CG2 4.34Å; V339-V370 HydrophobicContact CG1-CG1 4.19Å; L340-V370 CarbonylContact O-C 3.58Å; L340-V370 WeakPolarHBondContact O-CA 3.49Å; F341-V370 HydrophobicContact CD1-CG1 4.33Å; F341-V370 HydrophobicContact CD1-CG2 3.79Å; F341-V370 HydrophobicContact CE1-CB 4.47Å; F341-V370 HydrophobicContact CE1-CG1 3.96Å; F341-V370 HydrophobicContact CE1-CG2 3.77Å; F341-V370 HydrophobicContact CZ-CG1 4.47Å; F368-V370 HydrophobicContact CD1-CG2 4.23Å; F368-V370 HydrophobicContact CE1-CG2 3.42Å; F368-V370 VanDerWaalsContact CE1-CG2 3.42Å; F368-V370 HydrophobicContact CZ-CG2 3.73Å; V370-L387 HydrophobicContact CG1-CD1 4.16Å; V370-L387 HydrophobicContact CG1-CD2 4.46Å
371	A	97.4	Very high	94.7	Very high	4 Å²	4	29.6 Å²	29.6	3%	0.033	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	127.7	168.3	0	0	0	0	0	110.6	L340	L340-A371 HydrophobicContact CB-CB 4.22Å; L340-A371 PolarHBondContact N-O 3.03Å; L340-A371 PolarHBondContact O-N 2.96Å
372	L	94.4	Very high	95	Very high	14 Å²	14	29.7 Å²	29.7	7%	0.073	16%	0.159	C	C	.	.			trans	-83.7	154.8	169.2	-64.7	179.5	0	0	0	110	V339 K374 A377 L383 V384 L387 W413 F437	V339-L372 HydrophobicContact CG1-CD2 4.23Å; V339-L372 HydrophobicContact CG2-CD2 4.11Å; L372-K374 PolarHBondContact O-N 2.72Å; L372-A377 HydrophobicContact CB-CB 4.33Å; L372-L383 HydrophobicContact CD1-CB 4.01Å; L372-V384 HydrophobicContact CD1-CG2 4.23Å; L372-L387 HydrophobicContact CD1-CD1 3.92Å; L372-L387 HydrophobicContact CD2-CD1 4.4Å; L372-L387 HydrophobicContact CG-CD1 4.01Å; L372-W413 HydrophobicContact CD2-CZ3 4.5Å; L372-F437 HydrophobicContact CD1-CE1 4.37Å; L372-F437 HydrophobicContact CD2-CE1 3.76Å; L372-F437 HydrophobicContact CD2-CZ 3.76Å
373	P	91.9	Very high	95	Very high	5 Å²	5	29.5 Å²	29.5	3%	0.032	16%	0.158	C	C	.	.			trans	-56.1	138.6	168.6	-19.7	29.6	0	0	0	111	S336 V338 Q375 V376 A377 W413	S336-P373 WeakPolarHBondContact O-CB 3.26Å; V338-P373 WeakPolarHBondContact O-CG 3.33Å; P373-Q375 VanDerWaalsContact C-N 3.3Å; P373-Q375 PolarHBondContact O-N 2.65Å; P373-V376 HydrophobicContact CB-CB 4.2Å; P373-V376 HydrophobicContact CB-CG2 3.87Å; P373-V376 HydrophobicContact CG-CB 4.37Å; P373-V376 HydrophobicContact CG-CG2 3.96Å; P373-V376 WeakPolarHBondContact O-CA 3.41Å; P373-V376 WeakPolarHBondContact O-CB 3.37Å; P373-V376 PolarHBondContact O-N 3.12Å; P373-A377 PolarHBondContact O-N 3.23Å; P373-W413 HydrophobicContact CG-CH2 4.39Å; P373-W413 HydrophobicContact CG-CZ2 4.21Å
374	K	91.2	Very high	95.1	Very high	137 Å²	137	30.7 Å²	30.7	60%	0.596	17%	0.165	S	C	*	.	H	α-helix	trans	-50.7	-47.2	-173	-178.5	-178.1	174.4	-173.1	0	113.2	L372 V376 A377 I378	L372-K374 PolarHBondContact O-N 2.72Å; K374-V376 VanDerWaalsContact C-N 3.34Å; K374-A377 PolarHBondContact O-N 3.39Å; K374-I378 HydrophobicContact CG-CD1 4.22Å; K374-I378 WeakPolarHBondContact O-CG1 3.3Å; K374-I378 PolarHBondContact O-N 2.89Å
375	Q	88.2	Confident	95.2	Very high	107 Å²	107	35.1 Å²	35.1	50%	0.5	19%	0.189	S	C	.	.	H	α-helix	trans	-67.9	-35.9	-178.9	-168.1	60.1	44.9	0	0	111.8	P373 I378 D379	P373-Q375 VanDerWaalsContact C-N 3.3Å; P373-Q375 PolarHBondContact O-N 2.65Å; Q375-I378 PolarHBondContact O-N 2.79Å; Q375-D379 WeakPolarHBondContact CG-OD2 3.5Å; Q375-D379 PolarHBondContact NE2-OD1 3.1Å; Q375-D379 PolarHBondContact NE2-OD2 3.48Å; Q375-D379 WeakPolarHBondContact O-CB 3.03Å; Q375-D379 PolarHBondContact O-N 3.26Å
376	V	90.6	Very high	95.3	Very high	10 Å²	10	35.4 Å²	35.4	6%	0.061	19%	0.191	C	C	.	.	H	α-helix	trans	-65.4	-42.2	176.4	176.1	0	0	0	0	110.9	P373 K374 I378 D379 H380 L383 W413	P373-V376 HydrophobicContact CB-CB 4.2Å; P373-V376 HydrophobicContact CB-CG2 3.87Å; P373-V376 HydrophobicContact CG-CB 4.37Å; P373-V376 HydrophobicContact CG-CG2 3.96Å; P373-V376 WeakPolarHBondContact O-CA 3.41Å; P373-V376 WeakPolarHBondContact O-CB 3.37Å; P373-V376 PolarHBondContact O-N 3.12Å; K374-V376 VanDerWaalsContact C-N 3.34Å; V376-I378 PolarHBondContact O-N 2.88Å; V376-D379 PolarHBondContact O-N 3.48Å; V376-H380 WeakPolarHBondContact O-CB 3.09Å; V376-H380 PolarHBondContact O-N 3.49Å; V376-L383 HydrophobicContact CG1-CD1 4.45Å; V376-W413 HydrophobicContact CB-CD2 4.36Å; V376-W413 HydrophobicContact CG1-CD2 3.51Å; V376-W413 HydrophobicContact CG1-CE3 3.51Å; V376-W413 HydrophobicContact CG1-CG 3.96Å; V376-W413 HydrophobicContact CG1-CH2 4.25Å; V376-W413 HydrophobicContact CG1-CZ2 4.27Å; V376-W413 HydrophobicContact CG1-CZ3 3.9Å; V376-W413 HydrophobicContact CG2-CD2 3.86Å; V376-W413 HydrophobicContact CG2-CG 4.15Å; V376-W413 HydrophobicContact CG2-CH2 4.42Å; V376-W413 HydrophobicContact CG2-CZ2 3.73Å
377	A	93.8	Very high	95.3	Very high	30 Å²	30	35.4 Å²	35.4	25%	0.248	19%	0.191	C	C	.	.	H	α-helix	trans	-62	-32.8	176.1	0	0	0	0	0	112.5	L372 P373 K374 V384	L372-A377 HydrophobicContact CB-CB 4.33Å; P373-A377 PolarHBondContact O-N 3.23Å; K374-A377 PolarHBondContact O-N 3.39Å; A377-V384 HydrophobicContact CB-CG2 3.78Å
378	I	95.4	Very high	95.3	Very high	100 Å²	100	40.1 Å²	40.1	51%	0.513	21%	0.213	S	C	.	.	H	α-helix	trans	-75.4	-46.3	175.8	-67.3	166.6	0	0	0	111.2	K374 Q375 V376	K374-I378 HydrophobicContact CG-CD1 4.22Å; K374-I378 WeakPolarHBondContact O-CG1 3.3Å; K374-I378 PolarHBondContact O-N 2.89Å; Q375-I378 PolarHBondContact O-N 2.79Å; V376-I378 PolarHBondContact O-N 2.88Å
379	D	93	Very high	95.2	Very high	90 Å²	90	43.9 Å²	43.9	48%	0.481	23%	0.227	S	C	.	.	H	α-helix	trans	-77.4	-23.8	-173.7	-65.3	-13.7	0	0	0	112.9	Q375 V376 P381	Q375-D379 WeakPolarHBondContact CG-OD2 3.5Å; Q375-D379 PolarHBondContact NE2-OD1 3.1Å; Q375-D379 PolarHBondContact NE2-OD2 3.48Å; Q375-D379 WeakPolarHBondContact O-CB 3.03Å; Q375-D379 PolarHBondContact O-N 3.26Å; V376-D379 PolarHBondContact O-N 3.48Å; D379-P381 VanDerWaalsContact C-CD 3.48Å
380	H	93.9	Very high	95.1	Very high	19 Å²	19	43.8 Å²	43.8	9%	0.088	23%	0.227	C	C	.	.			trans	-129	63.6	-176.3	-60.3	-75.7	0	0	0	112	V376 A382 L383 W413 E417	V376-H380 WeakPolarHBondContact O-CB 3.09Å; V376-H380 PolarHBondContact O-N 3.49Å; H380-A382 PolarHBondContact O-N 3.27Å; H380-A382 VanDerWaalsContact O-N 3.15Å; H380-L383 HydrophobicContact CB-CB 4.48Å; H380-L383 HydrophobicContact CB-CD1 3.73Å; H380-L383 HydrophobicContact CB-CG 4.03Å; H380-L383 WeakPolarHBondContact O-CB 3.35Å; H380-L383 PolarHBondContact O-N 2.86Å; H380-W413 VanDerWaalsContact CD2-CB 3.47Å; H380-W413 WeakPolarHBondContact CD2-CB 3.44Å; H380-W413 WeakPolarHBondContact NE2-CB 3.39Å; H380-E417 VanDerWaalsContact CA-OE1 3.24Å; H380-E417 WeakPolarHBondContact CA-OE1 3.25Å; H380-E417 IonicContact CE1-OE2 3.31Å; H380-E417 IonicContact CG-OE2 2.68Å; H380-E417 IonicContact ND1-OE1 3.28Å; H380-E417 IonicContact ND1-OE2 3.96Å; H380-E417 PolarHBondContact ND1-OE2 3.13Å
381	P	96.4	Very high	95	Very high	68 Å²	68	44 Å²	44	44%	0.442	23%	0.228	S	C	.	.	H	α-helix	trans	-59.7	-28.4	-176.2	24.6	-34.2	0	0	0	112.7	D379 L383 V384 D385	D379-P381 VanDerWaalsContact C-CD 3.48Å; P381-L383 PolarHBondContact O-N 2.97Å; P381-V384 WeakPolarHBondContact O-CA 3.29Å; P381-V384 WeakPolarHBondContact O-CB 3.34Å; P381-V384 PolarHBondContact O-N 3.34Å; P381-D385 VanDerWaalsContact O-CG 3.3Å; P381-D385 PolarHBondContact O-N 2.95Å
382	A	96.9	Very high	94.8	Very high	19 Å²	19	50.8 Å²	50.8	16%	0.157	26%	0.257	C	S	.	.	H	α-helix	trans	-66.7	-23.2	178.7	0	0	0	0	0	113.2	H380 T386 E417	H380-A382 PolarHBondContact O-N 3.27Å; H380-A382 VanDerWaalsContact O-N 3.15Å; A382-T386 WeakPolarHBondContact O-CB 3.22Å; A382-T386 PolarHBondContact O-N 3.46Å; A382-T386 PolarHBondContact O-OG1 3.11Å; A382-E417 HydrophobicContact CB-CG 3.94Å; A382-E417 WeakPolarHBondContact CB-OE1 3.34Å; A382-E417 PolarHBondContact N-OE1 2.93Å
383	L	95.4	Very high	94.8	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-70.3	-42.3	170	-65.9	178.1	0	0	0	111.1	L372 V376 H380 P381 T386 L387 W413 L416 E417 F437	L372-L383 HydrophobicContact CD1-CB 4.01Å; V376-L383 HydrophobicContact CG1-CD1 4.45Å; H380-L383 HydrophobicContact CB-CB 4.48Å; H380-L383 HydrophobicContact CB-CD1 3.73Å; H380-L383 HydrophobicContact CB-CG 4.03Å; H380-L383 WeakPolarHBondContact O-CB 3.35Å; H380-L383 PolarHBondContact O-N 2.86Å; P381-L383 PolarHBondContact O-N 2.97Å; L383-T386 PolarHBondContact O-N 2.76Å; L383-L387 WeakPolarHBondContact O-CG 3.24Å; L383-L387 PolarHBondContact O-N 2.86Å; L383-W413 HydrophobicContact CD1-CE3 4.28Å; L383-L416 HydrophobicContact CD1-CD2 4.04Å; L383-L416 HydrophobicContact CD2-CB 4.49Å; L383-L416 HydrophobicContact CD2-CD2 4.1Å; L383-L416 HydrophobicContact CD2-CG 3.93Å; L383-E417 HydrophobicContact CD1-CB 4.43Å; L383-E417 HydrophobicContact CD2-CB 4.12Å; L383-E417 HydrophobicContact CG-CB 4.03Å; L383-E417 HydrophobicContact CG-CG 4.31Å; L383-F437 HydrophobicContact CD2-CD1 3.94Å
384	V	97.3	Very high	94.9	Very high	29 Å²	29	51.4 Å²	51.4	18%	0.176	26%	0.26	C	S	.	.	H	α-helix	trans	-63	-50.9	177.1	-178.6	0	0	0	0	109.7	I180 L372 A377 P381 T386 L387 E388	I180-V384 HydrophobicContact CD1-CG1 4.28Å; L372-V384 HydrophobicContact CD1-CG2 4.23Å; A377-V384 HydrophobicContact CB-CG2 3.78Å; P381-V384 WeakPolarHBondContact O-CA 3.29Å; P381-V384 WeakPolarHBondContact O-CB 3.34Å; P381-V384 PolarHBondContact O-N 3.34Å; V384-T386 VanDerWaalsContact C-N 3.25Å; V384-T386 PolarHBondContact O-N 3.14Å; V384-L387 PolarHBondContact O-N 3.22Å; V384-L387 VanDerWaalsContact O-N 3.09Å; V384-E388 HydrophobicContact CG1-CG 4.28Å; V384-E388 WeakPolarHBondContact O-CG 3.39Å; V384-E388 PolarHBondContact O-N 3.45Å
385	D	97.7	Very high	95.1	Very high	96 Å²	96	44.9 Å²	44.9	51%	0.513	23%	0.232	S	C	.	.	H	α-helix	trans	-56	-41.7	178.2	-64.3	-23.8	0	0	0	111.8	P381 R389	P381-D385 VanDerWaalsContact O-CG 3.3Å; P381-D385 PolarHBondContact O-N 2.95Å; D385-R389 VanDerWaalsContact O-CB 3.26Å; D385-R389 WeakPolarHBondContact O-CB 3.03Å; D385-R389 PolarHBondContact O-N 2.89Å
386	T	97.3	Very high	95.6	Very high	12 Å²	12	39.8 Å²	39.8	7%	0.074	21%	0.208	C	C	.	.	H	α-helix	trans	-65.8	-45.1	178.3	-60.2	0	0	0	0	111.4	A382 L383 V384 R389 N390	A382-T386 WeakPolarHBondContact O-CB 3.22Å; A382-T386 PolarHBondContact O-N 3.46Å; A382-T386 PolarHBondContact O-OG1 3.11Å; L383-T386 PolarHBondContact O-N 2.76Å; V384-T386 VanDerWaalsContact C-N 3.25Å; V384-T386 PolarHBondContact O-N 3.14Å; T386-R389 PolarHBondContact O-N 3.03Å; T386-N390 VanDerWaalsContact O-CB 3.26Å; T386-N390 WeakPolarHBondContact O-CB 3.11Å; T386-N390 PolarHBondContact O-N 3.26Å; T386-N390 PolarHBondContact O-ND2 2.72Å
387	L	97.8	Very high	96	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.01	21%	0.205	C	C	.	.	H	α-helix	trans	-63.7	-45.4	176.7	-74.3	173.3	0	0	0	111.6	I180 F182 V370 L372 L383 V384 R389 N390 A391 L436 F437	I180-L387 HydrophobicContact CD1-CB 3.48Å; I180-L387 VanDerWaalsContact CD1-CB 3.48Å; I180-L387 HydrophobicContact CD1-CD1 4.17Å; F182-L387 HydrophobicContact CZ-CD2 4.12Å; V370-L387 HydrophobicContact CG1-CD1 4.16Å; V370-L387 HydrophobicContact CG1-CD2 4.46Å; L372-L387 HydrophobicContact CD1-CD1 3.92Å; L372-L387 HydrophobicContact CD2-CD1 4.4Å; L372-L387 HydrophobicContact CG-CD1 4.01Å; L383-L387 WeakPolarHBondContact O-CG 3.24Å; L383-L387 PolarHBondContact O-N 2.86Å; V384-L387 PolarHBondContact O-N 3.22Å; V384-L387 VanDerWaalsContact O-N 3.09Å; L387-R389 VanDerWaalsContact C-N 3.32Å; L387-R389 PolarHBondContact O-N 2.76Å; L387-N390 CarbonylContact O-C 3.34Å; L387-N390 PolarHBondContact O-N 2.94Å; L387-A391 WeakPolarHBondContact O-CB 3.29Å; L387-A391 PolarHBondContact O-N 3.06Å; L387-L436 HydrophobicContact CD2-CB 4.15Å; L387-L436 WeakPolarHBondContact CD2-O 2.98Å; L387-F437 HydrophobicContact CD1-CD1 4.37Å; L387-F437 HydrophobicContact CD1-CE1 3.68Å; L387-F437 HydrophobicContact CD1-CZ 4.29Å; L387-F437 HydrophobicContact CD2-CD1 4.27Å; L387-F437 HydrophobicContact CD2-CE1 4.09Å; L387-F437 HydrophobicContact CD2-CZ 4.43Å; L387-F437 HydrophobicContact CG-CD1 4.24Å; L387-F437 HydrophobicContact CG-CE1 4.02Å
388	E	97.5	Very high	96.2	Very high	99 Å²	99	38.4 Å²	38.4	46%	0.463	20%	0.195	S	C	.	.	H	α-helix	trans	-63.7	-37.7	178.6	-71.8	-172	162.3	0	0	112.3	I180 V384	I180-E388 HydrophobicContact CD1-CG 3.65Å; I180-E388 HydrophobicContact CG1-CG 4.01Å; I180-E388 HydrophobicContact CG2-CG 4.47Å; V384-E388 HydrophobicContact CG1-CG 4.28Å; V384-E388 WeakPolarHBondContact O-CG 3.39Å; V384-E388 PolarHBondContact O-N 3.45Å
389	R	95.7	Very high	96.3	Very high	78 Å²	78	33.6 Å²	33.6	29%	0.294	17%	0.171	S	C	.	.	H	α-helix	trans	-65.9	-46.1	173.5	-165.4	-168.6	78.4	86.1	18	110.9	D385 T386 L387 A391 K392 L440 N442	D385-R389 VanDerWaalsContact O-CB 3.26Å; D385-R389 WeakPolarHBondContact O-CB 3.03Å; D385-R389 PolarHBondContact O-N 2.89Å; T386-R389 PolarHBondContact O-N 3.03Å; L387-R389 VanDerWaalsContact C-N 3.32Å; L387-R389 PolarHBondContact O-N 2.76Å; R389-A391 VanDerWaalsContact C-N 3.32Å; R389-A391 PolarHBondContact O-N 3.34Å; R389-K392 PolarHBondContact O-N 3.18Å; R389-L440 PolarHBondContact NH2-O 3.09Å; R389-N442 PolarHBondContact NH1-OD1 2.98Å
390	N	96.3	Very high	96.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-70.1	-27.3	-179.1	-71.4	-13.8	0	0	0	112.8	F182 T386 L387 K392 L393 L436 R438 L440	F182-N390 HydrophobicContact CE1-CB 4.16Å; T386-N390 VanDerWaalsContact O-CB 3.26Å; T386-N390 WeakPolarHBondContact O-CB 3.11Å; T386-N390 PolarHBondContact O-N 3.26Å; T386-N390 PolarHBondContact O-ND2 2.72Å; L387-N390 CarbonylContact O-C 3.34Å; L387-N390 PolarHBondContact O-N 2.94Å; N390-K392 PolarHBondContact O-N 3.49Å; N390-K392 VanDerWaalsContact O-N 3.13Å; N390-L393 PolarHBondContact O-N 2.8Å; N390-L436 PolarHBondContact ND2-O 3.12Å; N390-R438 PolarHBondContact ND2-O 3.04Å; N390-L440 HydrophobicContact CB-CD1 3.95Å; N390-L440 HydrophobicContact CB-CG 4.17Å; N390-L440 PolarHBondContact OD1-N 3.26Å
391	A	96.1	Very high	96.8	Very high	5 Å²	5	29.4 Å²	29.4	4%	0.041	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-24.1	176.7	0	0	0	0	0	113.7	I180 F182 D183 L387 R389	I180-A391 HydrophobicContact CG2-CB 3.54Å; F182-A391 CarbonylContact C-O 3.49Å; F182-A391 HydrophobicContact CD1-CB 4.29Å; F182-A391 HydrophobicContact CD2-CB 4.06Å; F182-A391 HydrophobicContact CE1-CB 4.44Å; F182-A391 HydrophobicContact CE2-CB 4.24Å; F182-A391 HydrophobicContact CG-CB 4.06Å; F182-A391 HydrophobicContact CZ-CB 4.41Å; D183-A391 PolarHBondContact N-O 3.46Å; L387-A391 WeakPolarHBondContact O-CB 3.29Å; L387-A391 PolarHBondContact O-N 3.06Å; R389-A391 VanDerWaalsContact C-N 3.32Å; R389-A391 PolarHBondContact O-N 3.34Å
392	K	94	Very high	96.9	Very high	147 Å²	147	27.2 Å²	27.2	64%	0.639	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-11.4	177.7	-59.7	170.6	-174	171.5	0	112.7	S184 R389 N390	S184-K392 PolarHBondContact OG-O 2.9Å; S184-K392 VanDerWaalsContact OG-O 3.09Å; R389-K392 PolarHBondContact O-N 3.18Å; N390-K392 PolarHBondContact O-N 3.49Å; N390-K392 VanDerWaalsContact O-N 3.13Å
393	L	93.6	Very high	97	Very high	27 Å²	27	26.3 Å²	26.3	14%	0.141	13%	0.128	C	C	.	.	S	Bend	trans	-105.9	158.8	-175	-61.1	175.6	0	0	0	111.1	S184 N390 A395 L440	S184-L393 WeakPolarHBondContact CB-O 3.46Å; N390-L393 PolarHBondContact O-N 2.8Å; L393-A395 PolarHBondContact O-N 2.62Å; L393-L440 HydrophobicContact CB-CD1 4.37Å; L393-L440 HydrophobicContact CD1-CB 3.96Å
394	L	93.9	Very high	97.1	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.021	13%	0.128	C	C	.	.			trans	-62.2	122.8	-178.3	-171.6	64.4	0	0	0	111.2	C56 S184 N186 R444 A449 I451	C56-L394 HydrophobicContact CB-CB 4.17Å; C56-L394 HydrophobicContact CB-CD2 3.87Å; S184-L394 WeakPolarHBondContact O-CD1 3.36Å; N186-L394 HydrophobicContact CB-CD1 3.94Å; L394-R444 WeakPolarHBondContact O-CD 3.45Å; L394-R444 PolarHBondContact O-NH1 3.32Å; L394-A449 HydrophobicContact CD2-CB 3.8Å; L394-A449 HydrophobicContact CG-CB 4.14Å; L394-I451 HydrophobicContact CD1-CD1 3.62Å; L394-I451 HydrophobicContact CD2-CD1 3.72Å; L394-I451 HydrophobicContact CG-CD1 3.8Å
395	A	96.9	Very high	97	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.133	C	C	.	.	B	Isolated β-bridge	trans	-136.7	157.3	178.1	0	0	0	0	0	110.6	F182 S184 F185 N186 L393 D399 L436	F182-A395 HydrophobicContact CD1-CB 4.1Å; F182-A395 HydrophobicContact CE1-CB 4.49Å; S184-A395 PolarHBondContact O-N 3.11Å; F185-A395 CarbonylContact C-O 3.6Å; F185-A395 WeakPolarHBondContact CA-O 3.35Å; F185-A395 HydrophobicContact CD2-CB 3.81Å; F185-A395 HydrophobicContact CE2-CB 4.37Å; N186-A395 PolarHBondContact N-O 3.49Å; L393-A395 PolarHBondContact O-N 2.62Å; A395-D399 VanDerWaalsContact CA-OD2 3.28Å; A395-D399 WeakPolarHBondContact CA-OD2 3.47Å; A395-L436 HydrophobicContact CB-CD2 3.94Å
396	T	97.9	Very high	96.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.112	C	C	.	.			trans	-144.3	173.8	-171	65.1	0	0	0	0	111.8	F185 V188 Y398 D399 L400 A449 I451	F185-T396 VanDerWaalsContact CE2-C 3.45Å; F185-T396 WeakPolarHBondContact CE2-O 3.28Å; V188-T396 HydrophobicContact CG1-CG2 3.78Å; T396-Y398 PolarHBondContact O-N 3.4Å; T396-Y398 PolarHBondContact OG1-N 2.85Å; T396-D399 PolarHBondContact N-OD2 2.96Å; T396-D399 WeakPolarHBondContact O-CB 3.18Å; T396-D399 PolarHBondContact O-N 3.07Å; T396-D399 PolarHBondContact OG1-N 3.2Å; T396-D399 PolarHBondContact OG1-OD2 3.39Å; T396-L400 PolarHBondContact O-N 2.61Å; T396-L400 VanDerWaalsContact O-N 3.17Å; T396-A449 HydrophobicContact CG2-CB 4.03Å; T396-I451 HydrophobicContact CG2-CD1 3.67Å; T396-I451 HydrophobicContact CG2-CG1 3.53Å
397	H	98.5	Very high	96.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-58.1	-29.3	170.8	-59.9	86.5	0	0	0	113.2	F185 V188 A198 M199 S344 D345 D399 L400 H401	F185-H397 AromaticContact CE1-CE1 3.69Å; F185-H397 AromaticContact CE1-NE2 3.8Å; V188-H397 HydrophobicContact CG2-CB 4.26Å; A198-H397 HydrophobicContact CB-CB 3.83Å; M199-H397 WeakPolarHBondContact CA-O 3.39Å; M199-H397 HydrophobicContact CB-CB 4.01Å; S344-H397 PolarHBondContact O-NE2 3.31Å; S344-H397 VanDerWaalsContact O-NE2 3.15Å; D345-H397 PolarHBondContact O-CE1 3.47Å; D345-H397 PolarHBondContact O-NE2 3.3Å; H397-D399 VanDerWaalsContact C-N 3.34Å; H397-L400 WeakPolarHBondContact O-CB 3.36Å; H397-L400 PolarHBondContact O-N 3.46Å; H397-H401 PolarHBondContact O-N 3.03Å
398	Y	98.5	Very high	96.3	Very high	11 Å²	11	24 Å²	24	4%	0.043	11%	0.113	C	C	.	.	H	α-helix	trans	-67.5	-35.1	174	-59.7	-56.9	0	0	0	112.6	V188 A198 R204 T396 H401 A402 R432 G433 E450	V188-Y398 HydrophobicContact CB-CD2 4.44Å; V188-Y398 HydrophobicContact CB-CE2 3.81Å; V188-Y398 HydrophobicContact CG1-CD2 3.9Å; V188-Y398 HydrophobicContact CG1-CE2 3.72Å; V188-Y398 HydrophobicContact CG2-CD2 4.5Å; V188-Y398 HydrophobicContact CG2-CE2 3.94Å; A198-Y398 HydrophobicContact CB-CD1 3.69Å; A198-Y398 HydrophobicContact CB-CE1 3.31Å; A198-Y398 HydrophobicContact CB-CG 4.44Å; R204-Y398 WeakPolarHBondContact CG-OH 3.48Å; T396-Y398 PolarHBondContact O-N 3.4Å; T396-Y398 PolarHBondContact OG1-N 2.85Å; Y398-H401 WeakPolarHBondContact O-CB 3.07Å; Y398-H401 PolarHBondContact O-N 3.13Å; Y398-A402 PolarHBondContact O-N 3.17Å; Y398-R432 HydrophobicContact CD1-CG 4.02Å; Y398-R432 HydrophobicContact CD2-CG 3.76Å; Y398-R432 VanDerWaalsContact CE1-CD 3.46Å; Y398-R432 HydrophobicContact CE1-CG 4.45Å; Y398-R432 HydrophobicContact CE2-CG 4.24Å; Y398-R432 VanDerWaalsContact CG-CD 3.45Å; Y398-R432 HydrophobicContact CG-CG 3.65Å; Y398-G433 WeakPolarHBondContact O-CA 3.39Å; Y398-E450 HydrophobicContact CE2-CB 4.32Å
399	D	98.6	Very high	96	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-68.9	-38.7	176.4	-59.6	-51.6	0	0	0	111.3	A395 T396 H397 A402 T403 L434 L436 R444	A395-D399 VanDerWaalsContact CA-OD2 3.28Å; A395-D399 WeakPolarHBondContact CA-OD2 3.47Å; T396-D399 PolarHBondContact N-OD2 2.96Å; T396-D399 WeakPolarHBondContact O-CB 3.18Å; T396-D399 PolarHBondContact O-N 3.07Å; T396-D399 PolarHBondContact OG1-N 3.2Å; T396-D399 PolarHBondContact OG1-OD2 3.39Å; H397-D399 VanDerWaalsContact C-N 3.34Å; D399-A402 PolarHBondContact O-N 3.15Å; D399-T403 VanDerWaalsContact O-CB 3.28Å; D399-T403 WeakPolarHBondContact O-CB 3.26Å; D399-T403 PolarHBondContact O-N 3.12Å; D399-T403 PolarHBondContact O-OG1 3.33Å; D399-L434 VanDerWaalsContact CA-O 3.3Å; D399-L434 WeakPolarHBondContact CA-O 3.07Å; D399-L434 VanDerWaalsContact CB-O 3.23Å; D399-L434 WeakPolarHBondContact CB-O 3.27Å; D399-L434 PolarHBondContact OD1-N 2.93Å; D399-L436 HydrophobicContact CB-CD2 3.88Å; D399-L436 HydrophobicContact CB-CG 4.3Å; D399-R444 IonicContact OD1-CZ 3.77Å; D399-R444 VanDerWaalsContact OD1-CZ 3.28Å; D399-R444 IonicContact OD1-NH1 3.32Å; D399-R444 PolarHBondContact OD1-NH1 2.9Å; D399-R444 IonicContact OD1-NH2 3.83Å; D399-R444 PolarHBondContact OD1-NH2 2.9Å; D399-R444 IonicContact OD2-CZ 3.86Å; D399-R444 IonicContact OD2-NH1 3.84Å; D399-R444 PolarHBondContact OD2-NH1 3.33Å; D399-R444 IonicContact OD2-NH2 3.55Å; D399-R444 PolarHBondContact OD2-NH2 3.1Å
400	L	98.7	Very high	95.7	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-60	-46.5	170.4	176.4	58.6	0	0	0	111.1	L151 M199 F341 L343 F368 T396 H397 A402 T403 L404	L151-L400 HydrophobicContact CD2-CD2 4.11Å; M199-L400 HydrophobicContact CB-CD2 4.3Å; M199-L400 HydrophobicContact CG-CD2 3.53Å; M199-L400 HydrophobicContact CG-CG 4Å; M199-L400 HydrophobicContact SD-CD2 3.23Å; M199-L400 WeakPolarHBondContact SD-CD2 3.23Å; M199-L400 HydrophobicContact SD-CG 4.24Å; F341-L400 HydrophobicContact CD1-CD1 3.71Å; F341-L400 HydrophobicContact CE1-CD1 3.66Å; F341-L400 HydrophobicContact CG-CD1 4.19Å; F341-L400 HydrophobicContact CZ-CD1 4.1Å; L343-L400 HydrophobicContact CD1-CD2 3.32Å; F368-L400 HydrophobicContact CE2-CB 4.37Å; F368-L400 HydrophobicContact CE2-CD1 3.98Å; F368-L400 HydrophobicContact CE2-CD2 3.85Å; F368-L400 HydrophobicContact CE2-CG 4.3Å; F368-L400 HydrophobicContact CZ-CD1 4.1Å; T396-L400 PolarHBondContact O-N 2.61Å; T396-L400 VanDerWaalsContact O-N 3.17Å; H397-L400 WeakPolarHBondContact O-CB 3.36Å; H397-L400 PolarHBondContact O-N 3.46Å; L400-A402 PolarHBondContact O-N 2.68Å; L400-T403 WeakPolarHBondContact O-CA 3.44Å; L400-T403 WeakPolarHBondContact O-CB 3.4Å; L400-T403 PolarHBondContact O-N 3.31Å; L400-T403 VanDerWaalsContact O-N 3.09Å; L400-L404 HydrophobicContact CD1-CD1 4.45Å; L400-L404 HydrophobicContact CD1-CD2 4.37Å; L400-L404 HydrophobicContact CD1-CG 4.16Å; L400-L404 HydrophobicContact CG-CD1 4.36Å; L400-L404 VanDerWaalsContact O-CG 3.28Å; L400-L404 WeakPolarHBondContact O-CG 3.22Å; L400-L404 PolarHBondContact O-N 2.77Å
401	H	98.7	Very high	94.8	Very high	20 Å²	20	26.7 Å²	26.7	9%	0.093	14%	0.143	C	C	.	.	H	α-helix	trans	-55.6	-49.3	175.5	-174.9	73	0	0	0	112.3	M199 L200 T201 G202 H397 Y398 T403 L404 L405	M199-H401 VanDerWaalsContact O-CB 3.26Å; M199-H401 WeakPolarHBondContact O-CB 3.36Å; M199-H401 PolarHBondContact O-ND1 2.92Å; L200-H401 PolarHBondContact O-CE1 3.23Å; T201-H401 PolarHBondContact O-NE2 3.04Å; G202-H401 VanDerWaalsContact CA-CD2 3.47Å; G202-H401 WeakPolarHBondContact CA-CD2 3.24Å; G202-H401 PolarHBondContact N-CD2 2.72Å; G202-H401 PolarHBondContact N-ND1 2.8Å; H397-H401 PolarHBondContact O-N 3.03Å; Y398-H401 WeakPolarHBondContact O-CB 3.07Å; Y398-H401 PolarHBondContact O-N 3.13Å; H401-T403 VanDerWaalsContact C-N 3.28Å; H401-T403 PolarHBondContact O-N 2.76Å; H401-L404 PolarHBondContact O-N 3.05Å; H401-L405 PolarHBondContact O-N 2.93Å; H401-L405 VanDerWaalsContact O-N 3.12Å
402	A	98	Very high	94.2	Very high	22 Å²	22	30 Å²	30	18%	0.182	16%	0.163	C	C	.	.	H	α-helix	trans	-62.6	-35.2	176.8	0	0	0	0	0	112.3	Y398 D399 L400 H406 G433	Y398-A402 PolarHBondContact O-N 3.17Å; D399-A402 PolarHBondContact O-N 3.15Å; L400-A402 PolarHBondContact O-N 2.68Å; A402-H406 VanDerWaalsContact O-CB 3.26Å; A402-H406 WeakPolarHBondContact O-CB 3.48Å; A402-H406 PolarHBondContact O-N 2.81Å; A402-G433 VanDerWaalsContact CB-C 3.43Å; A402-G433 WeakPolarHBondContact CB-O 3.39Å
403	T	97.8	Very high	94	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-65.2	-42	175.6	-59	0	0	0	0	111.6	F341 D399 L400 H401 H406 L407 S435 L436 F437	F341-T403 HydrophobicContact CZ-CG2 4.18Å; D399-T403 VanDerWaalsContact O-CB 3.28Å; D399-T403 WeakPolarHBondContact O-CB 3.26Å; D399-T403 PolarHBondContact O-N 3.12Å; D399-T403 PolarHBondContact O-OG1 3.33Å; L400-T403 WeakPolarHBondContact O-CA 3.44Å; L400-T403 WeakPolarHBondContact O-CB 3.4Å; L400-T403 PolarHBondContact O-N 3.31Å; L400-T403 VanDerWaalsContact O-N 3.09Å; H401-T403 VanDerWaalsContact C-N 3.28Å; H401-T403 PolarHBondContact O-N 2.76Å; T403-H406 PolarHBondContact O-N 3.33Å; T403-L407 HydrophobicContact CG2-CD1 4.45Å; T403-L407 WeakPolarHBondContact O-CB 3.33Å; T403-L407 WeakPolarHBondContact O-CG 3.36Å; T403-L407 PolarHBondContact O-N 3.02Å; T403-S435 WeakPolarHBondContact OG1-CA 3.29Å; T403-L436 HydrophobicContact CG2-CB 4.32Å; T403-L436 WeakPolarHBondContact OG1-CG 3.18Å; T403-L436 PolarHBondContact OG1-N 2.87Å; T403-F437 HydrophobicContact CG2-CD2 3.6Å; T403-F437 HydrophobicContact CG2-CE2 3.57Å
404	L	97.5	Very high	93.8	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-63.2	-47.5	177.1	-66.3	173.5	0	0	0	111	V149 L151 V226 Y230 F301 F341 L400 H401 H406 L407 L408	V149-L404 HydrophobicContact CG1-CD2 3.73Å; L151-L404 HydrophobicContact CD1-CD2 4.27Å; L151-L404 HydrophobicContact CD2-CD1 4.25Å; V226-L404 HydrophobicContact CG1-CD1 4Å; V226-L404 HydrophobicContact CG2-CB 3.95Å; V226-L404 HydrophobicContact CG2-CD1 4.41Å; Y230-L404 HydrophobicContact CE2-CB 4.14Å; Y230-L404 PolarHBondContact OH-O 3.22Å; F301-L404 HydrophobicContact CE2-CD1 4.08Å; F301-L404 HydrophobicContact CE2-CD2 4.1Å; F301-L404 HydrophobicContact CZ-CD1 4.31Å; F341-L404 HydrophobicContact CE2-CD2 4.15Å; L400-L404 HydrophobicContact CD1-CD1 4.45Å; L400-L404 HydrophobicContact CD1-CD2 4.37Å; L400-L404 HydrophobicContact CD1-CG 4.16Å; L400-L404 HydrophobicContact CG-CD1 4.36Å; L400-L404 VanDerWaalsContact O-CG 3.28Å; L400-L404 WeakPolarHBondContact O-CG 3.22Å; L400-L404 PolarHBondContact O-N 2.77Å; H401-L404 PolarHBondContact O-N 3.05Å; L404-H406 VanDerWaalsContact C-N 3.32Å; L404-H406 PolarHBondContact O-N 2.92Å; L404-L407 PolarHBondContact O-N 2.9Å; L404-L408 WeakPolarHBondContact O-CB 3.26Å; L404-L408 PolarHBondContact O-N 2.75Å
405	L	95.9	Very high	93.6	Very high	54 Å²	54	34.6 Å²	34.6	28%	0.283	19%	0.185	S	C	.	.	H	α-helix	trans	-61.4	-41.1	174.2	-66.7	176.6	0	0	0	112	V226 E229 H401 L407 L408 D409	V226-L405 HydrophobicContact CG2-CD2 3.96Å; V226-L405 HydrophobicContact CG2-CG 4.34Å; E229-L405 HydrophobicContact CB-CD2 4.47Å; E229-L405 HydrophobicContact CG-CD2 4.39Å; H401-L405 PolarHBondContact O-N 2.93Å; H401-L405 VanDerWaalsContact O-N 3.12Å; L405-L407 PolarHBondContact O-N 2.75Å; L405-L408 CarbonylContact O-C 3.47Å; L405-L408 WeakPolarHBondContact O-CB 3.26Å; L405-L408 PolarHBondContact O-N 3.35Å; L405-L408 VanDerWaalsContact O-N 3.1Å; L405-D409 PolarHBondContact O-N 3.27Å
406	H	94.6	Very high	93.4	Very high	13 Å²	13	34.6 Å²	34.6	6%	0.06	19%	0.185	C	C	.	.	H	α-helix	trans	-62.1	-42.2	176.8	-171.8	-129.6	0	0	0	112.8	A402 T403 L404 L408 D409 H410 L416 T419 S435 R438	A402-H406 VanDerWaalsContact O-CB 3.26Å; A402-H406 WeakPolarHBondContact O-CB 3.48Å; A402-H406 PolarHBondContact O-N 2.81Å; T403-H406 PolarHBondContact O-N 3.33Å; L404-H406 VanDerWaalsContact C-N 3.32Å; L404-H406 PolarHBondContact O-N 2.92Å; H406-L408 VanDerWaalsContact C-N 3.28Å; H406-L408 PolarHBondContact O-N 3.25Å; H406-D409 PolarHBondContact O-N 3.43Å; H406-H410 AromaticContact CD2-CD2 3.29Å; H406-H410 PolarHBondContact CD2-CD2 2.85Å; H406-H410 AromaticContact CD2-NE2 3.69Å; H406-H410 AromaticContact NE2-CD2 3.49Å; H406-H410 PolarHBondContact NE2-CD2 3.04Å; H406-H410 AromaticContact NE2-NE2 3.68Å; H406-H410 PolarHBondContact O-CD2 2.87Å; H406-H410 PolarHBondContact O-N 2.96Å; H406-L416 VanDerWaalsContact CE1-CD1 3.42Å; H406-L416 WeakPolarHBondContact CE1-CD1 3.47Å; H406-L416 WeakPolarHBondContact ND1-CD1 3.5Å; H406-T419 PolarHBondContact CE1-OG1 3.48Å; H406-T419 PolarHBondContact NE2-OG1 2.92Å; H406-T419 VanDerWaalsContact NE2-OG1 3.12Å; H406-S435 VanDerWaalsContact CB-OG 3.29Å; H406-S435 WeakPolarHBondContact CB-OG 3.28Å; H406-S435 PolarHBondContact ND1-OG 3.46Å; H406-R438 PolarHBondContact NE2-NE 3.09Å; H406-R438 VanDerWaalsContact NE2-NE 3.13Å; H406-R438 PolarHBondContact NE2-NH2 3.42Å
407	L	93.1	Very high	93.1	Very high	17 Å²	17	36.1 Å²	36.1	9%	0.089	19%	0.192	C	C	.	.	H	α-helix	trans	-62	-37.3	173	-76.2	173.5	0	0	0	111.8	V149 V339 F341 T403 L404 L405 L416 F437	V149-L407 HydrophobicContact CG2-CD1 3.99Å; V339-L407 HydrophobicContact CB-CD1 4.29Å; V339-L407 HydrophobicContact CG1-CD1 4.33Å; V339-L407 HydrophobicContact CG2-CD1 4.18Å; V339-L407 HydrophobicContact CG2-CD2 4.16Å; F341-L407 HydrophobicContact CE2-CD1 4.21Å; F341-L407 HydrophobicContact CZ-CD1 4.16Å; T403-L407 HydrophobicContact CG2-CD1 4.45Å; T403-L407 WeakPolarHBondContact O-CB 3.33Å; T403-L407 WeakPolarHBondContact O-CG 3.36Å; T403-L407 PolarHBondContact O-N 3.02Å; L404-L407 PolarHBondContact O-N 2.9Å; L405-L407 PolarHBondContact O-N 2.75Å; L407-L416 HydrophobicContact CD2-CD1 4.44Å; L407-L416 HydrophobicContact CD2-CD2 3.76Å; L407-F437 HydrophobicContact CD1-CE2 3.95Å; L407-F437 HydrophobicContact CD2-CD2 4Å; L407-F437 HydrophobicContact CD2-CE2 3.53Å; L407-F437 HydrophobicContact CD2-CZ 4.09Å; L407-F437 HydrophobicContact CG-CD2 4.18Å; L407-F437 HydrophobicContact CG-CE2 3.77Å
408	L	91.5	Very high	92.9	Very high	6 Å²	6	42.5 Å²	42.5	3%	0.031	22%	0.216	C	C	.	.	H	α-helix	trans	-71.6	-33.3	178.7	-175.9	60.6	0	0	0	112.7	E229 Y230 K233 Y235 L404 L405 H406	E229-L408 HydrophobicContact CB-CD2 3.61Å; Y230-L408 HydrophobicContact CD1-CD1 3.53Å; Y230-L408 HydrophobicContact CD1-CD2 4.4Å; Y230-L408 HydrophobicContact CD1-CG 4.35Å; Y230-L408 HydrophobicContact CD2-CD2 4.18Å; Y230-L408 HydrophobicContact CE1-CB 4.02Å; Y230-L408 HydrophobicContact CE1-CD1 3.75Å; Y230-L408 HydrophobicContact CE1-CG 4.34Å; Y230-L408 HydrophobicContact CE2-CB 4.37Å; Y230-L408 HydrophobicContact CE2-CD2 4.4Å; Y230-L408 HydrophobicContact CG-CD1 4.09Å; Y230-L408 HydrophobicContact CG-CD2 4.2Å; K233-L408 HydrophobicContact CB-CD1 3.96Å; K233-L408 HydrophobicContact CD-CD1 3.55Å; K233-L408 HydrophobicContact CD-CD2 4.32Å; K233-L408 HydrophobicContact CD-CG 3.75Å; K233-L408 HydrophobicContact CG-CD1 3.96Å; K233-L408 HydrophobicContact CG-CG 4.36Å; K233-L408 PolarHBondContact NZ-O 2.79Å; Y235-L408 HydrophobicContact CD2-CD1 4.34Å; Y235-L408 HydrophobicContact CE2-CD1 3.75Å; L404-L408 WeakPolarHBondContact O-CB 3.26Å; L404-L408 PolarHBondContact O-N 2.75Å; L405-L408 CarbonylContact O-C 3.47Å; L405-L408 WeakPolarHBondContact O-CB 3.26Å; L405-L408 PolarHBondContact O-N 3.35Å; L405-L408 VanDerWaalsContact O-N 3.1Å; H406-L408 VanDerWaalsContact C-N 3.28Å; H406-L408 PolarHBondContact O-N 3.25Å
409	D	90.9	Very high	92.6	Very high	102 Å²	102	42 Å²	42	55%	0.545	21%	0.214	S	C	.	.	H	α-helix	trans	-84.9	-28.3	-179.1	-70.3	-21.8	0	0	0	113.2	K233 L405 H406	K233-D409 IonicContact NZ-OD1 3.94Å; K233-D409 PolarHBondContact NZ-OD1 2.77Å; L405-D409 PolarHBondContact O-N 3.27Å; H406-D409 PolarHBondContact O-N 3.43Å
410	H	88.8	Confident	92.3	Very high	34 Å²	34	42.1 Å²	42.1	16%	0.157	22%	0.215	C	C	.	.			trans	-105.9	75.9	175.8	-66.9	-90.5	0	0	0	111	H406 T412 S415 L416 T419	H406-H410 AromaticContact CD2-CD2 3.29Å; H406-H410 PolarHBondContact CD2-CD2 2.85Å; H406-H410 AromaticContact CD2-NE2 3.69Å; H406-H410 AromaticContact NE2-CD2 3.49Å; H406-H410 PolarHBondContact NE2-CD2 3.04Å; H406-H410 AromaticContact NE2-NE2 3.68Å; H406-H410 PolarHBondContact O-CD2 2.87Å; H406-H410 PolarHBondContact O-N 2.96Å; H410-T412 PolarHBondContact O-N 3.4Å; H410-S415 PolarHBondContact ND1-OG 2.87Å; H410-L416 HydrophobicContact CB-CB 4.13Å; H410-L416 HydrophobicContact CB-CD1 3.95Å; H410-T419 WeakPolarHBondContact CE1-CG2 3.48Å
411	S	77.3	Confident	91.8	Very high	98 Å²	98	49.2 Å²	49.2	69%	0.685	25%	0.246	S	C	*	.			trans	-65.5	-7.9	-173.4	62.1	0	0	0	0	115.9
412	T	84.6	Confident	91.3	Very high	75 Å²	75	51.4 Å²	51.4	46%	0.46	26%	0.256	S	S	.	.	S	Bend	trans	-120.6	141.7	175.3	67.4	0	0	0	0	111.1	H410 K414 S415 L416	H410-T412 PolarHBondContact O-N 3.4Å; T412-K414 VanDerWaalsContact C-N 3.28Å; T412-K414 PolarHBondContact O-N 3.22Å; T412-S415 WeakPolarHBondContact O-CB 3.47Å; T412-S415 PolarHBondContact O-N 3.01Å; T412-S415 WeakPolarHBondContact OG1-CB 3.16Å; T412-S415 PolarHBondContact OG1-N 3.47Å; T412-L416 PolarHBondContact O-N 3.19Å
413	W	88.6	Confident	90.5	Very high	71 Å²	71	55.8 Å²	55.8	27%	0.269	28%	0.276	S	S	.	.	H	α-helix	trans	-59	-37.3	178.8	-56.7	117.5	0	0	0	113.2	V339 L372 P373 V376 H380 L383 S415 L416 E417	V339-W413 HydrophobicContact CG2-CH2 3.64Å; V339-W413 HydrophobicContact CG2-CZ3 4.06Å; L372-W413 HydrophobicContact CD2-CZ3 4.5Å; P373-W413 HydrophobicContact CG-CH2 4.39Å; P373-W413 HydrophobicContact CG-CZ2 4.21Å; V376-W413 HydrophobicContact CB-CD2 4.36Å; V376-W413 HydrophobicContact CG1-CD2 3.51Å; V376-W413 HydrophobicContact CG1-CE3 3.51Å; V376-W413 HydrophobicContact CG1-CG 3.96Å; V376-W413 HydrophobicContact CG1-CH2 4.25Å; V376-W413 HydrophobicContact CG1-CZ2 4.27Å; V376-W413 HydrophobicContact CG1-CZ3 3.9Å; V376-W413 HydrophobicContact CG2-CD2 3.86Å; V376-W413 HydrophobicContact CG2-CG 4.15Å; V376-W413 HydrophobicContact CG2-CH2 4.42Å; V376-W413 HydrophobicContact CG2-CZ2 3.73Å; H380-W413 VanDerWaalsContact CD2-CB 3.47Å; H380-W413 WeakPolarHBondContact CD2-CB 3.44Å; H380-W413 WeakPolarHBondContact NE2-CB 3.39Å; L383-W413 HydrophobicContact CD1-CE3 4.28Å; W413-S415 PolarHBondContact O-N 2.91Å; W413-L416 HydrophobicContact CE3-CD2 4.02Å; W413-L416 HydrophobicContact CZ3-CD2 4.13Å; W413-L416 PolarHBondContact O-N 3.13Å; W413-E417 VanDerWaalsContact O-CB 3.31Å; W413-E417 WeakPolarHBondContact O-CB 3.32Å; W413-E417 PolarHBondContact O-N 2.87Å
414	K	90.3	Very high	89.9	Confident	166 Å²	166	57.6 Å²	57.6	72%	0.722	29%	0.292	S	S	*	.	H	α-helix	trans	-61.5	-42.5	173.5	-69.3	-178.3	-179.3	-179.1	0	112.3	T412 R418	T412-K414 VanDerWaalsContact C-N 3.28Å; T412-K414 PolarHBondContact O-N 3.22Å; K414-R418 WeakPolarHBondContact O-CB 3.36Å; K414-R418 PolarHBondContact O-N 2.79Å
415	S	89.8	Confident	89.4	Confident	37 Å²	37	59.1 Å²	59.1	26%	0.259	30%	0.298	S	S	.	.	H	α-helix	trans	-66.6	-41.3	176.8	-176.2	0	0	0	0	111.2	H410 T412 W413 R418 T419	H410-S415 PolarHBondContact ND1-OG 2.87Å; T412-S415 WeakPolarHBondContact O-CB 3.47Å; T412-S415 PolarHBondContact O-N 3.01Å; T412-S415 WeakPolarHBondContact OG1-CB 3.16Å; T412-S415 PolarHBondContact OG1-N 3.47Å; W413-S415 PolarHBondContact O-N 2.91Å; S415-R418 PolarHBondContact O-N 3.48Å; S415-T419 PolarHBondContact O-N 2.92Å
416	L	91.4	Very high	88.6	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-63.3	-48.6	176.5	-171.1	70.9	0	0	0	111.4	L383 H406 L407 H410 T412 W413 R418 T419 S420 F437	L383-L416 HydrophobicContact CD1-CD2 4.04Å; L383-L416 HydrophobicContact CD2-CB 4.49Å; L383-L416 HydrophobicContact CD2-CD2 4.1Å; L383-L416 HydrophobicContact CD2-CG 3.93Å; H406-L416 VanDerWaalsContact CE1-CD1 3.42Å; H406-L416 WeakPolarHBondContact CE1-CD1 3.47Å; H406-L416 WeakPolarHBondContact ND1-CD1 3.5Å; L407-L416 HydrophobicContact CD2-CD1 4.44Å; L407-L416 HydrophobicContact CD2-CD2 3.76Å; H410-L416 HydrophobicContact CB-CB 4.13Å; H410-L416 HydrophobicContact CB-CD1 3.95Å; T412-L416 PolarHBondContact O-N 3.19Å; W413-L416 HydrophobicContact CE3-CD2 4.02Å; W413-L416 HydrophobicContact CZ3-CD2 4.13Å; W413-L416 PolarHBondContact O-N 3.13Å; L416-R418 VanDerWaalsContact C-N 3.31Å; L416-R418 PolarHBondContact O-N 3.44Å; L416-T419 PolarHBondContact O-N 3.48Å; L416-T419 VanDerWaalsContact O-N 3.07Å; L416-T419 PolarHBondContact O-OG1 3.27Å; L416-S420 PolarHBondContact O-N 2.88Å; L416-F437 HydrophobicContact CD1-CB 4.1Å; L416-F437 HydrophobicContact CD1-CD2 4.42Å; L416-F437 HydrophobicContact CD1-CG 4.27Å; L416-F437 HydrophobicContact CD2-CD1 4.08Å; L416-F437 HydrophobicContact CD2-CD2 4.32Å; L416-F437 HydrophobicContact CD2-CE1 4.31Å; L416-F437 HydrophobicContact CD2-CG 4.08Å; L416-F437 HydrophobicContact CG-CB 4.34Å; L416-F437 HydrophobicContact CG-CG 4.33Å
417	E	93.1	Very high	87.6	Confident	31 Å²	31	67.6 Å²	67.6	15%	0.145	35%	0.349	C	S	.	.	H	α-helix	trans	-63.6	-34.4	179	-173.6	179.9	-138.2	0	0	112.6	H380 A382 L383 W413 T419 S420	H380-E417 VanDerWaalsContact CA-OE1 3.24Å; H380-E417 WeakPolarHBondContact CA-OE1 3.25Å; H380-E417 IonicContact CE1-OE2 3.31Å; H380-E417 IonicContact CG-OE2 2.68Å; H380-E417 IonicContact ND1-OE1 3.28Å; H380-E417 IonicContact ND1-OE2 3.96Å; H380-E417 PolarHBondContact ND1-OE2 3.13Å; A382-E417 HydrophobicContact CB-CG 3.94Å; A382-E417 WeakPolarHBondContact CB-OE1 3.34Å; A382-E417 PolarHBondContact N-OE1 2.93Å; L383-E417 HydrophobicContact CD1-CB 4.43Å; L383-E417 HydrophobicContact CD2-CB 4.12Å; L383-E417 HydrophobicContact CG-CB 4.03Å; L383-E417 HydrophobicContact CG-CG 4.31Å; W413-E417 VanDerWaalsContact O-CB 3.31Å; W413-E417 WeakPolarHBondContact O-CB 3.32Å; W413-E417 PolarHBondContact O-N 2.87Å; E417-T419 PolarHBondContact O-N 2.78Å; E417-S420 PolarHBondContact O-N 2.93Å; E417-S420 VanDerWaalsContact O-N 3.12Å; E417-S420 PolarHBondContact O-OG 2.84Å
418	R	93.8	Very high	86.9	Confident	134 Å²	134	69.5 Å²	69.5	51%	0.506	37%	0.374	S	S	.	.	H	α-helix	trans	-57.2	-41.9	172.9	-173.5	-171.5	61.3	67.8	12.7	111.1	K414 S415 L416 S420 E422	K414-R418 WeakPolarHBondContact O-CB 3.36Å; K414-R418 PolarHBondContact O-N 2.79Å; S415-R418 PolarHBondContact O-N 3.48Å; L416-R418 VanDerWaalsContact C-N 3.31Å; L416-R418 PolarHBondContact O-N 3.44Å; R418-S420 VanDerWaalsContact C-N 3.33Å; R418-E422 IonicContact CZ-OE1 2.69Å; R418-E422 IonicContact NH1-OE1 3.89Å; R418-E422 PolarHBondContact NH1-OE1 3.44Å; R418-E422 IonicContact NH2-OE1 3.81Å
419	T	92.2	Very high	86.5	Confident	0 Å²	0	75.5 Å²	75.5	0%	0	41%	0.413	C	S	.	.	H	α-helix	trans	-73.7	-21.9	178.2	69.8	0	0	0	0	113.9	H406 H410 S415 L416 E417 K421 E422	H406-T419 PolarHBondContact CE1-OG1 3.48Å; H406-T419 PolarHBondContact NE2-OG1 2.92Å; H406-T419 VanDerWaalsContact NE2-OG1 3.12Å; H410-T419 WeakPolarHBondContact CE1-CG2 3.48Å; S415-T419 PolarHBondContact O-N 2.92Å; L416-T419 PolarHBondContact O-N 3.48Å; L416-T419 VanDerWaalsContact O-N 3.07Å; L416-T419 PolarHBondContact O-OG1 3.27Å; E417-T419 PolarHBondContact O-N 2.78Å; T419-K421 PolarHBondContact O-N 2.84Å; T419-E422 WeakPolarHBondContact O-CB 3.49Å; T419-E422 PolarHBondContact O-N 3.31Å; T419-E422 VanDerWaalsContact O-N 3.07Å
420	S	92.1	Very high	86.3	Confident	4 Å²	4	72.9 Å²	72.9	3%	0.028	40%	0.399	C	S	.	.	H	α-helix	trans	-69.6	-13.9	178.5	80.4	0	0	0	0	113.1	L416 E417 R418 F437 P439	L416-S420 PolarHBondContact O-N 2.88Å; E417-S420 PolarHBondContact O-N 2.93Å; E417-S420 VanDerWaalsContact O-N 3.12Å; E417-S420 PolarHBondContact O-OG 2.84Å; R418-S420 VanDerWaalsContact C-N 3.33Å; S420-F437 WeakPolarHBondContact CA-O 3.33Å; S420-F437 WeakPolarHBondContact CB-O 3.45Å; S420-P439 VanDerWaalsContact O-CD 3.24Å; S420-P439 WeakPolarHBondContact O-CD 3.49Å; S420-P439 WeakPolarHBondContact O-CG 3.36Å
421	K	87.6	Confident	86.4	Confident	149 Å²	149	74.8 Å²	74.8	65%	0.648	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-6	174.9	-58.5	178	-174.4	177.7	0	112.8	T419	T419-K421 PolarHBondContact O-N 2.84Å
422	E	87.7	Confident	87.1	Confident	65 Å²	65	71.9 Å²	71.9	30%	0.304	39%	0.388	S	S	.	.			trans	-87.2	131.5	-178.5	-64.5	172	-178.8	0	0	111.1	R418 T419 A424	R418-E422 IonicContact CZ-OE1 2.69Å; R418-E422 IonicContact NH1-OE1 3.89Å; R418-E422 PolarHBondContact NH1-OE1 3.44Å; R418-E422 IonicContact NH2-OE1 3.81Å; T419-E422 WeakPolarHBondContact O-CB 3.49Å; T419-E422 PolarHBondContact O-N 3.31Å; T419-E422 VanDerWaalsContact O-N 3.07Å; E422-A424 PolarHBondContact O-N 3.49Å
423	N	82.7	Confident	87.7	Confident	114 Å²	114	69.1 Å²	69.1	61%	0.61	37%	0.374	S	S	*	.			trans	-81.3	53.1	169.5	-74	-23.8	0	0	0	111.1	Y425 S426	N423-Y425 PolarHBondContact O-N 2.83Å; N423-S426 PolarHBondContact O-N 3.3Å; N423-S426 VanDerWaalsContact O-N 3.1Å
424	A	85	Confident	88	Confident	39 Å²	39	65.7 Å²	65.7	32%	0.322	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-21.5	-174.5	0	0	0	0	0	113.6	E422	E422-A424 PolarHBondContact O-N 3.49Å
425	Y	86	Confident	88.4	Confident	31 Å²	31	58 Å²	58	12%	0.122	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	8.2	-177.7	-53.1	-38.3	0	0	0	113.4	N423 L430 L434 S435 R438 P439 L440	N423-Y425 PolarHBondContact O-N 2.83Å; Y425-L430 HydrophobicContact CG-CD2 4.36Å; Y425-L430 VanDerWaalsContact O-CD2 3.25Å; Y425-L430 WeakPolarHBondContact O-CD2 3.32Å; Y425-L434 HydrophobicContact CD1-CD2 3.75Å; Y425-L434 HydrophobicContact CD2-CB 4.37Å; Y425-L434 HydrophobicContact CD2-CD1 4.11Å; Y425-L434 HydrophobicContact CD2-CD2 4.38Å; Y425-L434 HydrophobicContact CE1-CB 4.39Å; Y425-L434 HydrophobicContact CE1-CD2 3.71Å; Y425-L434 HydrophobicContact CE2-CB 3.79Å; Y425-L434 HydrophobicContact CE2-CD1 4.37Å; Y425-L434 HydrophobicContact CE2-CD2 4.33Å; Y425-L434 HydrophobicContact CE2-CG 4.39Å; Y425-L434 HydrophobicContact CG-CD1 4.34Å; Y425-L434 HydrophobicContact CG-CD2 4.11Å; Y425-S435 PolarHBondContact OH-N 2.81Å; Y425-S435 PolarHBondContact OH-O 3.07Å; Y425-R438 HydrophobicContact CD2-CB 4.49Å; Y425-R438 HydrophobicContact CE2-CB 3.63Å; Y425-P439 WeakPolarHBondContact CD2-O 3.44Å; Y425-L440 HydrophobicContact CE2-CD2 4.35Å
426	S	78.9	Confident	88.7	Confident	92 Å²	92	56.2 Å²	56.2	64%	0.643	32%	0.316	S	S	*	.	S	Bend	trans	-90.1	-7.7	177.1	-60.8	0	0	0	0	113.7	N423	N423-S426 PolarHBondContact O-N 3.3Å; N423-S426 VanDerWaalsContact O-N 3.1Å
427	I	75.1	Confident	88.9	Confident	153 Å²	153	56.2 Å²	56.2	79%	0.785	32%	0.315	S	S	*	.	S	Bend	trans	-122.5	122.2	-173.3	-54.9	174.3	0	0	0	109.4
428	G	78.2	Confident	89.1	Confident	58 Å²	58	57 Å²	57	60%	0.598	32%	0.317	S	S	*	.	S	Bend	trans	80	-173.4	172.8	0	0	0	0	0	115.3	L430	G428-L430 PolarHBondContact O-N 3.31Å
429	P	82.2	Confident	89.1	Confident	131 Å²	131	51.9 Å²	51.9	85%	0.851	30%	0.301	S	S	*	.	S	Bend	trans	-67.4	131.3	177.6	27.7	-32.9	0	0	0	110.6
430	L	86.3	Confident	89.2	Confident	48 Å²	48	52 Å²	52	25%	0.251	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-68.2	134	176.7	-67	176.4	0	0	0	110.4	Y425 G428 L434 P441 Q448	Y425-L430 HydrophobicContact CG-CD2 4.36Å; Y425-L430 VanDerWaalsContact O-CD2 3.25Å; Y425-L430 WeakPolarHBondContact O-CD2 3.32Å; G428-L430 PolarHBondContact O-N 3.31Å; L430-L434 HydrophobicContact CD2-CD2 4.46Å; L430-P441 HydrophobicContact CD1-CG 3.95Å; L430-P441 HydrophobicContact CD2-CG 4.39Å; L430-Q448 HydrophobicContact CD1-CB 4.34Å; L430-Q448 HydrophobicContact CD1-CG 4.3Å
431	P	91.8	Very high	89.2	Confident	73 Å²	73	52.9 Å²	52.9	47%	0.474	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-68.1	155.1	166.6	27.4	-28.9	0	0	0	110.1	G433 L434	P431-G433 VanDerWaalsContact C-N 3.33Å; P431-G433 PolarHBondContact O-N 3.25Å; P431-L434 HydrophobicContact CG-CD2 3.75Å; P431-L434 WeakPolarHBondContact O-CD2 3.4Å
432	R	91.8	Very high	89.3	Confident	38 Å²	38	51.2 Å²	51.2	14%	0.143	31%	0.306	C	S	.	.	S	Bend	trans	-46.2	-53.5	178.2	179.5	-163	-59.1	-69.9	-15.4	112.9	G202 R204 E210 Y398 R444 E450	G202-R432 WeakPolarHBondContact O-CD 3.33Å; G202-R432 PolarHBondContact O-NE 3.37Å; R204-R432 VanDerWaalsContact CG-NH1 3.33Å; R204-R432 VanDerWaalsContact NE-NH1 3.18Å; E210-R432 IonicContact OE1-CZ 3.47Å; E210-R432 IonicContact OE1-NH2 3.39Å; E210-R432 PolarHBondContact OE1-NH2 2.8Å; E210-R432 IonicContact OE2-CZ 3.49Å; E210-R432 IonicContact OE2-NH2 3.58Å; Y398-R432 HydrophobicContact CD1-CG 4.02Å; Y398-R432 HydrophobicContact CD2-CG 3.76Å; Y398-R432 VanDerWaalsContact CE1-CD 3.46Å; Y398-R432 HydrophobicContact CE1-CG 4.45Å; Y398-R432 HydrophobicContact CE2-CG 4.24Å; Y398-R432 VanDerWaalsContact CG-CD 3.45Å; Y398-R432 HydrophobicContact CG-CG 3.65Å; R432-R444 PolarHBondContact O-NH2 3.31Å; R432-E450 WeakPolarHBondContact CB-OE1 3.47Å; R432-E450 HydrophobicContact CG-CB 4.09Å; R432-E450 HydrophobicContact CG-CG 4.08Å; R432-E450 WeakPolarHBondContact CG-OE1 3.46Å; R432-E450 IonicContact CZ-OE1 3.67Å; R432-E450 IonicContact CZ-OE2 3.31Å; R432-E450 VanDerWaalsContact CZ-OE2 3.29Å; R432-E450 IonicContact NE-OE1 3.27Å; R432-E450 IonicContact NH1-OE1 2.84Å; R432-E450 PolarHBondContact NH1-OE1 2.86Å; R432-E450 IonicContact NH1-OE2 3.44Å; R432-E450 PolarHBondContact NH1-OE2 2.95Å; R432-E450 IonicContact NH2-OE1 3.74Å; R432-E450 PolarHBondContact NH2-OE1 3.07Å; R432-E450 IonicContact NH2-OE2 3.76Å; R432-E450 PolarHBondContact NH2-OE2 2.72Å
433	G	96.3	Very high	89.3	Confident	16 Å²	16	51.7 Å²	51.7	17%	0.165	31%	0.31	C	S	.	.	S	Bend	trans	-105.5	132.9	-179.6	0	0	0	0	0	111.1	Y398 A402 P431	Y398-G433 WeakPolarHBondContact O-CA 3.39Å; A402-G433 VanDerWaalsContact CB-C 3.43Å; A402-G433 WeakPolarHBondContact CB-O 3.39Å; P431-G433 VanDerWaalsContact C-N 3.33Å; P431-G433 PolarHBondContact O-N 3.25Å
434	L	96.8	Very high	89.6	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	28%	0.282	C	S	.	.			trans	-115.6	129.1	178.1	-54	-175.9	0	0	0	109	D399 Y425 L430 P431 L436 L440 P441	D399-L434 VanDerWaalsContact CA-O 3.3Å; D399-L434 WeakPolarHBondContact CA-O 3.07Å; D399-L434 VanDerWaalsContact CB-O 3.23Å; D399-L434 WeakPolarHBondContact CB-O 3.27Å; D399-L434 PolarHBondContact OD1-N 2.93Å; Y425-L434 HydrophobicContact CD1-CD2 3.75Å; Y425-L434 HydrophobicContact CD2-CB 4.37Å; Y425-L434 HydrophobicContact CD2-CD1 4.11Å; Y425-L434 HydrophobicContact CD2-CD2 4.38Å; Y425-L434 HydrophobicContact CE1-CB 4.39Å; Y425-L434 HydrophobicContact CE1-CD2 3.71Å; Y425-L434 HydrophobicContact CE2-CB 3.79Å; Y425-L434 HydrophobicContact CE2-CD1 4.37Å; Y425-L434 HydrophobicContact CE2-CD2 4.33Å; Y425-L434 HydrophobicContact CE2-CG 4.39Å; Y425-L434 HydrophobicContact CG-CD1 4.34Å; Y425-L434 HydrophobicContact CG-CD2 4.11Å; L430-L434 HydrophobicContact CD2-CD2 4.46Å; P431-L434 HydrophobicContact CG-CD2 3.75Å; P431-L434 WeakPolarHBondContact O-CD2 3.4Å; L434-L436 PolarHBondContact O-N 2.82Å; L434-L440 HydrophobicContact CB-CD2 3.47Å; L434-L440 VanDerWaalsContact CB-CD2 3.47Å; L434-L440 HydrophobicContact CD1-CD2 3.91Å; L434-L440 HydrophobicContact CG-CD2 4.32Å; L434-P441 HydrophobicContact CD1-CG 4.27Å
435	S	96.7	Very high	89.8	Confident	4 Å²	4	45.5 Å²	45.5	3%	0.028	27%	0.273	C	S	.	.			trans	-62	130.7	174.7	175.8	0	0	0	0	111.5	T403 H406 Y425 F437 R438	T403-S435 WeakPolarHBondContact OG1-CA 3.29Å; H406-S435 VanDerWaalsContact CB-OG 3.29Å; H406-S435 WeakPolarHBondContact CB-OG 3.28Å; H406-S435 PolarHBondContact ND1-OG 3.46Å; Y425-S435 PolarHBondContact OH-N 2.81Å; Y425-S435 PolarHBondContact OH-O 3.07Å; S435-F437 PolarHBondContact O-N 2.84Å; S435-F437 PolarHBondContact OG-N 2.88Å; S435-R438 PolarHBondContact O-N 2.75Å; S435-R438 VanDerWaalsContact O-N 3.13Å
436	L	97.4	Very high	90	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-8.9	-179.7	-58.5	179.2	0	0	0	113.2	F182 F368 L387 N390 A395 D399 T403 L434 R438 L440	F182-L436 HydrophobicContact CE1-CD1 3.84Å; F182-L436 HydrophobicContact CE1-CD2 3.94Å; F182-L436 HydrophobicContact CE1-CG 4.33Å; F182-L436 HydrophobicContact CZ-CB 4.39Å; F182-L436 HydrophobicContact CZ-CD1 3.9Å; F368-L436 HydrophobicContact CE1-CD1 3.47Å; F368-L436 VanDerWaalsContact CE1-CD1 3.47Å; F368-L436 HydrophobicContact CZ-CD1 3.67Å; L387-L436 HydrophobicContact CD2-CB 4.15Å; L387-L436 WeakPolarHBondContact CD2-O 2.98Å; N390-L436 PolarHBondContact ND2-O 3.12Å; A395-L436 HydrophobicContact CB-CD2 3.94Å; D399-L436 HydrophobicContact CB-CD2 3.88Å; D399-L436 HydrophobicContact CB-CG 4.3Å; T403-L436 HydrophobicContact CG2-CB 4.32Å; T403-L436 WeakPolarHBondContact OG1-CG 3.18Å; T403-L436 PolarHBondContact OG1-N 2.87Å; L434-L436 PolarHBondContact O-N 2.82Å; L436-R438 VanDerWaalsContact C-N 3.29Å; L436-L440 HydrophobicContact CD2-CD1 3.91Å
437	F	95.7	Very high	90.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	6	170.8	-70.1	-70.8	0	0	0	113.4	V339 L372 L383 L387 T403 L407 L416 S420 S435	V339-F437 HydrophobicContact CG1-CZ 4.42Å; L372-F437 HydrophobicContact CD1-CE1 4.37Å; L372-F437 HydrophobicContact CD2-CE1 3.76Å; L372-F437 HydrophobicContact CD2-CZ 3.76Å; L383-F437 HydrophobicContact CD2-CD1 3.94Å; L387-F437 HydrophobicContact CD1-CD1 4.37Å; L387-F437 HydrophobicContact CD1-CE1 3.68Å; L387-F437 HydrophobicContact CD1-CZ 4.29Å; L387-F437 HydrophobicContact CD2-CD1 4.27Å; L387-F437 HydrophobicContact CD2-CE1 4.09Å; L387-F437 HydrophobicContact CD2-CZ 4.43Å; L387-F437 HydrophobicContact CG-CD1 4.24Å; L387-F437 HydrophobicContact CG-CE1 4.02Å; T403-F437 HydrophobicContact CG2-CD2 3.6Å; T403-F437 HydrophobicContact CG2-CE2 3.57Å; L407-F437 HydrophobicContact CD1-CE2 3.95Å; L407-F437 HydrophobicContact CD2-CD2 4Å; L407-F437 HydrophobicContact CD2-CE2 3.53Å; L407-F437 HydrophobicContact CD2-CZ 4.09Å; L407-F437 HydrophobicContact CG-CD2 4.18Å; L407-F437 HydrophobicContact CG-CE2 3.77Å; L416-F437 HydrophobicContact CD1-CB 4.1Å; L416-F437 HydrophobicContact CD1-CD2 4.42Å; L416-F437 HydrophobicContact CD1-CG 4.27Å; L416-F437 HydrophobicContact CD2-CD1 4.08Å; L416-F437 HydrophobicContact CD2-CD2 4.32Å; L416-F437 HydrophobicContact CD2-CE1 4.31Å; L416-F437 HydrophobicContact CD2-CG 4.08Å; L416-F437 HydrophobicContact CG-CB 4.34Å; L416-F437 HydrophobicContact CG-CG 4.33Å; S420-F437 WeakPolarHBondContact CA-O 3.33Å; S420-F437 WeakPolarHBondContact CB-O 3.45Å; S435-F437 PolarHBondContact O-N 2.84Å; S435-F437 PolarHBondContact OG-N 2.88Å
438	R	95.9	Very high	91.1	Very high	48 Å²	48	44.3 Å²	44.3	18%	0.181	26%	0.256	C	S	.	.	S	Bend	trans	-121.2	152.2	169.9	-62.6	-171.2	-173.3	179.6	-2.9	110	N390 H406 Y425 S435 L436 L440	N390-R438 PolarHBondContact ND2-O 3.04Å; H406-R438 PolarHBondContact NE2-NE 3.09Å; H406-R438 VanDerWaalsContact NE2-NE 3.13Å; H406-R438 PolarHBondContact NE2-NH2 3.42Å; Y425-R438 HydrophobicContact CD2-CB 4.49Å; Y425-R438 HydrophobicContact CE2-CB 3.63Å; S435-R438 PolarHBondContact O-N 2.75Å; S435-R438 VanDerWaalsContact O-N 3.13Å; L436-R438 VanDerWaalsContact C-N 3.29Å; R438-L440 PolarHBondContact O-N 3.11Å
439	P	95	Very high	91.7	Very high	26 Å²	26	41.6 Å²	41.6	17%	0.169	23%	0.228	C	C	.	.			trans	-60.5	112.9	179.1	-23.1	34.9	0	0	0	111.5	S420 Y425	S420-P439 VanDerWaalsContact O-CD 3.24Å; S420-P439 WeakPolarHBondContact O-CD 3.49Å; S420-P439 WeakPolarHBondContact O-CG 3.36Å; Y425-P439 WeakPolarHBondContact CD2-O 3.44Å
440	L	94.4	Very high	92.2	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.016	20%	0.201	C	C	.	.			trans	-64.8	151.1	170.3	-60.8	-179.8	0	0	0	112.3	R389 N390 L393 Y425 L434 L436 R438 N442	R389-L440 PolarHBondContact NH2-O 3.09Å; N390-L440 HydrophobicContact CB-CD1 3.95Å; N390-L440 HydrophobicContact CB-CG 4.17Å; N390-L440 PolarHBondContact OD1-N 3.26Å; L393-L440 HydrophobicContact CB-CD1 4.37Å; L393-L440 HydrophobicContact CD1-CB 3.96Å; Y425-L440 HydrophobicContact CE2-CD2 4.35Å; L434-L440 HydrophobicContact CB-CD2 3.47Å; L434-L440 VanDerWaalsContact CB-CD2 3.47Å; L434-L440 HydrophobicContact CD1-CD2 3.91Å; L434-L440 HydrophobicContact CG-CD2 4.32Å; L436-L440 HydrophobicContact CD2-CD1 3.91Å; R438-L440 PolarHBondContact O-N 3.11Å; L440-N442 PolarHBondContact O-N 3.29Å
441	P	92.2	Very high	92.5	Very high	22 Å²	22	36.3 Å²	36.3	14%	0.143	19%	0.191	C	C	.	.			trans	-56.8	132.8	173.4	-23.6	33.4	0	0	0	112.2	L430 L434 D443 R444	L430-P441 HydrophobicContact CD1-CG 3.95Å; L430-P441 HydrophobicContact CD2-CG 4.39Å; L434-P441 HydrophobicContact CD1-CG 4.27Å; P441-D443 PolarHBondContact O-N 2.75Å; P441-R444 HydrophobicContact CB-CB 4.27Å; P441-R444 WeakPolarHBondContact O-CB 3.45Å; P441-R444 PolarHBondContact O-N 2.82Å
442	N	89.1	Confident	92.5	Very high	115 Å²	115	34.9 Å²	34.9	62%	0.615	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-27.8	179.4	-74	-37.6	0	0	0	112.7	R389 L440	R389-N442 PolarHBondContact NH1-OD1 2.98Å; L440-N442 PolarHBondContact O-N 3.29Å
443	D	87	Confident	92.3	Very high	74 Å²	74	37.5 Å²	37.5	40%	0.396	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	28.1	179.6	65.6	-32.9	0	0	0	112.3	K54 A55 P441 S445 Q448	K54-D443 CarbonylContact C-O 3.32Å; A55-D443 HydrophobicContact CB-CB 3.96Å; P441-D443 PolarHBondContact O-N 2.75Å; D443-S445 PolarHBondContact O-N 3.13Å; D443-S445 VanDerWaalsContact O-N 3.17Å; D443-Q448 PolarHBondContact O-OE1 3.15Å
444	R	89.7	Confident	92	Very high	3 Å²	3	37.6 Å²	37.6	1%	0.011	19%	0.191	C	C	.	.			trans	-60.8	120.2	-179.8	-162.7	177.5	-173.9	-163.7	5	111.5	C56 L394 D399 R432 P441 Q448	C56-R444 VanDerWaalsContact CB-O 3.24Å; C56-R444 WeakPolarHBondContact CB-O 3.45Å; C56-R444 PolarHBondContact N-O 2.82Å; C56-R444 VanDerWaalsContact N-O 3.09Å; L394-R444 WeakPolarHBondContact O-CD 3.45Å; L394-R444 PolarHBondContact O-NH1 3.32Å; D399-R444 IonicContact OD1-CZ 3.77Å; D399-R444 VanDerWaalsContact OD1-CZ 3.28Å; D399-R444 IonicContact OD1-NH1 3.32Å; D399-R444 PolarHBondContact OD1-NH1 2.9Å; D399-R444 IonicContact OD1-NH2 3.83Å; D399-R444 PolarHBondContact OD1-NH2 2.9Å; D399-R444 IonicContact OD2-CZ 3.86Å; D399-R444 IonicContact OD2-NH1 3.84Å; D399-R444 PolarHBondContact OD2-NH1 3.33Å; D399-R444 IonicContact OD2-NH2 3.55Å; D399-R444 PolarHBondContact OD2-NH2 3.1Å; R432-R444 PolarHBondContact O-NH2 3.31Å; P441-R444 HydrophobicContact CB-CB 4.27Å; P441-R444 WeakPolarHBondContact O-CB 3.45Å; P441-R444 PolarHBondContact O-N 2.82Å; R444-Q448 VanDerWaalsContact CA-OE1 3.27Å; R444-Q448 HydrophobicContact CG-CB 4.18Å
445	S	88.4	Confident	91.8	Very high	21 Å²	21	37.8 Å²	37.8	15%	0.147	19%	0.192	C	C	.	.			trans	-92.3	164.3	178	81.3	0	0	0	0	112.4	K54 D443 Q447 Q448 A449	K54-S445 WeakPolarHBondContact O-CA 3.2Å; K54-S445 WeakPolarHBondContact O-CB 3.46Å; D443-S445 PolarHBondContact O-N 3.13Å; D443-S445 VanDerWaalsContact O-N 3.17Å; S445-Q447 PolarHBondContact O-N 3.25Å; S445-Q447 PolarHBondContact OG-N 3Å; S445-Q448 PolarHBondContact O-N 3.39Å; S445-Q448 PolarHBondContact OG-N 3Å; S445-A449 WeakPolarHBondContact O-CB 3.36Å; S445-A449 PolarHBondContact O-N 3.08Å
446	C	90.3	Very high	91.5	Very high	11 Å²	11	39 Å²	39	7%	0.074	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-38	169.6	-78.3	0	0	0	0	112.3	A449 E450 I451 C456 C458	C446-A449 CarbonylContact O-C 3.49Å; C446-A449 PolarHBondContact O-N 3.31Å; C446-E450 PolarHBondContact O-N 2.81Å; C446-I451 HydrophobicContact CB-CB 4.07Å; C446-I451 PolarHBondContact O-N 3.1Å; C446-C456 HydrophobicContact CB-CB 3.82Å; C446-C456 WeakPolarHBondContact CB-SG 3.3Å; C446-C456 WeakPolarHBondContact SG-CB 3.24Å; C446-C456 CovalentContact SG-SG 2.04Å; C446-C456 PolarHBondContact SG-SG 2.99Å; C446-C458 PolarHBondContact SG-SG 2.95Å
447	Q	87.7	Confident	91.2	Very high	170 Å²	170	39.1 Å²	39.1	79%	0.794	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-44	177.4	-172	-176.2	21.6	0	0	111.7	S445 A449 E450	S445-Q447 PolarHBondContact O-N 3.25Å; S445-Q447 PolarHBondContact OG-N 3Å; Q447-A449 VanDerWaalsContact C-N 3.28Å; Q447-A449 PolarHBondContact O-N 3.21Å; Q447-E450 PolarHBondContact O-N 3.03Å; Q447-E450 VanDerWaalsContact O-N 3.12Å
448	Q	89.8	Confident	90.7	Very high	70 Å²	70	39.9 Å²	39.9	33%	0.327	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-27	176.5	-72.5	171.8	-39.4	0	0	112.8	L430 D443 R444 S445 E450	L430-Q448 HydrophobicContact CD1-CB 4.34Å; L430-Q448 HydrophobicContact CD1-CG 4.3Å; D443-Q448 PolarHBondContact O-OE1 3.15Å; R444-Q448 VanDerWaalsContact CA-OE1 3.27Å; R444-Q448 HydrophobicContact CG-CB 4.18Å; S445-Q448 PolarHBondContact O-N 3.39Å; S445-Q448 PolarHBondContact OG-N 3Å; Q448-E450 VanDerWaalsContact C-N 3.28Å
449	A	92.4	Very high	89.9	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	2.2	173.2	0	0	0	0	0	113.1	L394 T396 S445 C446 Q447 I451	L394-A449 HydrophobicContact CD2-CB 3.8Å; L394-A449 HydrophobicContact CG-CB 4.14Å; T396-A449 HydrophobicContact CG2-CB 4.03Å; S445-A449 WeakPolarHBondContact O-CB 3.36Å; S445-A449 PolarHBondContact O-N 3.08Å; C446-A449 CarbonylContact O-C 3.49Å; C446-A449 PolarHBondContact O-N 3.31Å; Q447-A449 VanDerWaalsContact C-N 3.28Å; Q447-A449 PolarHBondContact O-N 3.21Å; A449-I451 HydrophobicContact CB-CD1 3.91Å; A449-I451 HydrophobicContact CB-CG1 3.91Å; A449-I451 PolarHBondContact O-N 3.42Å
450	E	91.4	Very high	89	Confident	62 Å²	62	43 Å²	43	29%	0.29	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	39.2	-174.7	-67.8	-151.7	-131.7	0	0	114.1	R204 Y398 R432 C446 Q447 Q448 P452	R204-E450 IonicContact CZ-OE2 3.5Å; R204-E450 IonicContact NE-OE2 3.83Å; R204-E450 IonicContact NH1-OE2 2.91Å; R204-E450 PolarHBondContact NH1-OE2 3.4Å; Y398-E450 HydrophobicContact CE2-CB 4.32Å; R432-E450 WeakPolarHBondContact CB-OE1 3.47Å; R432-E450 HydrophobicContact CG-CB 4.09Å; R432-E450 HydrophobicContact CG-CG 4.08Å; R432-E450 WeakPolarHBondContact CG-OE1 3.46Å; R432-E450 IonicContact CZ-OE1 3.67Å; R432-E450 IonicContact CZ-OE2 3.31Å; R432-E450 VanDerWaalsContact CZ-OE2 3.29Å; R432-E450 IonicContact NE-OE1 3.27Å; R432-E450 IonicContact NH1-OE1 2.84Å; R432-E450 PolarHBondContact NH1-OE1 2.86Å; R432-E450 IonicContact NH1-OE2 3.44Å; R432-E450 PolarHBondContact NH1-OE2 2.95Å; R432-E450 IonicContact NH2-OE1 3.74Å; R432-E450 PolarHBondContact NH2-OE1 3.07Å; R432-E450 IonicContact NH2-OE2 3.76Å; R432-E450 PolarHBondContact NH2-OE2 2.72Å; C446-E450 PolarHBondContact O-N 2.81Å; Q447-E450 PolarHBondContact O-N 3.03Å; Q447-E450 VanDerWaalsContact O-N 3.12Å; Q448-E450 VanDerWaalsContact C-N 3.28Å; E450-P452 WeakPolarHBondContact O-CD 3.24Å
451	I	92.9	Very high	88.5	Confident	7 Å²	7	44 Å²	44	4%	0.036	23%	0.232	C	C	.	.			trans	-85.8	121.2	172.3	-59.3	172.1	0	0	0	107.9	N186 V188 L394 T396 C446 A449 E453 C456	N186-I451 HydrophobicContact CB-CD1 3.84Å; N186-I451 VanDerWaalsContact ND2-CG2 3.32Å; N186-I451 WeakPolarHBondContact ND2-CG2 3.24Å; V188-I451 HydrophobicContact CG1-CG1 4.24Å; L394-I451 HydrophobicContact CD1-CD1 3.62Å; L394-I451 HydrophobicContact CD2-CD1 3.72Å; L394-I451 HydrophobicContact CG-CD1 3.8Å; T396-I451 HydrophobicContact CG2-CD1 3.67Å; T396-I451 HydrophobicContact CG2-CG1 3.53Å; C446-I451 HydrophobicContact CB-CB 4.07Å; C446-I451 PolarHBondContact O-N 3.1Å; A449-I451 HydrophobicContact CB-CD1 3.91Å; A449-I451 HydrophobicContact CB-CG1 3.91Å; A449-I451 PolarHBondContact O-N 3.42Å; I451-E453 PolarHBondContact O-N 3.12Å; I451-C456 HydrophobicContact CG2-CB 4.38Å
452	P	91.8	Very high	88.1	Confident	42 Å²	42	45.6 Å²	45.6	27%	0.273	24%	0.241	S	C	.	.			trans	-53.5	138.5	170.9	-25.4	35	0	0	0	111.4	V188 E450 E454 Y455 C456	V188-P452 WeakPolarHBondContact O-CD 3.26Å; V188-P452 WeakPolarHBondContact O-CG 3.23Å; E450-P452 WeakPolarHBondContact O-CD 3.24Å; P452-E454 VanDerWaalsContact CB-CD 3.47Å; P452-E454 HydrophobicContact CB-CG 4.39Å; P452-E454 WeakPolarHBondContact CB-OE2 3.44Å; P452-E454 PolarHBondContact O-N 3.46Å; P452-E454 VanDerWaalsContact O-N 3.15Å; P452-Y455 HydrophobicContact CB-CD2 3.84Å; P452-Y455 HydrophobicContact CB-CE2 4.24Å; P452-Y455 HydrophobicContact CG-CD2 3.93Å; P452-Y455 HydrophobicContact CG-CE2 4.27Å; P452-Y455 PolarHBondContact O-N 2.96Å; P452-C456 PolarHBondContact O-N 3.38Å
453	E	87.7	Confident	87.9	Confident	94 Å²	94	45.2 Å²	45.2	44%	0.439	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-59.4	-32.3	-170.4	-65.7	176.6	-171.8	0	0	112.5	I451 Y455 C456 R556 V567	I451-E453 PolarHBondContact O-N 3.12Å; E453-Y455 PolarHBondContact O-N 3.05Å; E453-C456 WeakPolarHBondContact O-CB 3.42Å; E453-C456 PolarHBondContact O-N 2.7Å; E453-R556 IonicContact OE1-NH1 3.38Å; E453-R556 IonicContact OE1-NH2 2.71Å; E453-R556 IonicContact OE2-CZ 3.9Å; E453-R556 IonicContact OE2-NH1 3.21Å; E453-R556 PolarHBondContact OE2-NH1 2.77Å; E453-R556 IonicContact OE2-NH2 3.41Å; E453-R556 PolarHBondContact OE2-NH2 3.02Å; E453-V567 HydrophobicContact CB-CG1 3.76Å; E453-V567 WeakPolarHBondContact OE2-CG1 2.73Å
454	E	89.6	Confident	88	Confident	17 Å²	17	42.7 Å²	42.7	8%	0.079	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-63.4	-25.7	175.6	66.6	-90.4	-140.5	0	0	113.6	R360 P452 V554 G568 Q569	R360-E454 PolarHBondContact NH2-O 3.28Å; P452-E454 VanDerWaalsContact CB-CD 3.47Å; P452-E454 HydrophobicContact CB-CG 4.39Å; P452-E454 WeakPolarHBondContact CB-OE2 3.44Å; P452-E454 PolarHBondContact O-N 3.46Å; P452-E454 VanDerWaalsContact O-N 3.15Å; E454-V554 HydrophobicContact CB-CG2 3.9Å; E454-G568 WeakPolarHBondContact OE1-CA 3.5Å; E454-Q569 PolarHBondContact OE1-N 3.12Å
455	Y	92.6	Very high	87.9	Confident	4 Å²	4	46.7 Å²	46.7	2%	0.016	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-100.7	-4.2	178.2	-53.6	-42.2	0	0	0	112.9	N186 K187 D190 N364 P452 E453 T457	N186-Y455 PolarHBondContact ND2-O 2.7Å; N186-Y455 PolarHBondContact OD1-O 3.45Å; K187-Y455 VanDerWaalsContact CE-CD1 3.47Å; K187-Y455 HydrophobicContact CG-CG 4.38Å; D190-Y455 VanDerWaalsContact CA-OH 3.32Å; D190-Y455 WeakPolarHBondContact CA-OH 3.28Å; D190-Y455 VanDerWaalsContact CB-OH 3.27Å; D190-Y455 WeakPolarHBondContact CB-OH 3.23Å; D190-Y455 PolarHBondContact N-OH 3.28Å; N364-Y455 WeakPolarHBondContact OD1-CA 3.27Å; N364-Y455 WeakPolarHBondContact OD1-CD1 3.49Å; P452-Y455 HydrophobicContact CB-CD2 3.84Å; P452-Y455 HydrophobicContact CB-CE2 4.24Å; P452-Y455 HydrophobicContact CG-CD2 3.93Å; P452-Y455 HydrophobicContact CG-CE2 4.27Å; P452-Y455 PolarHBondContact O-N 2.96Å; E453-Y455 PolarHBondContact O-N 3.05Å; Y455-T457 PolarHBondContact O-N 3.23Å
456	C	91.3	Very high	88.1	Confident	30 Å²	30	47 Å²	47	20%	0.203	26%	0.255	C	S	.	.			trans	-70.2	126.4	-179.4	-175.7	0	0	0	0	111.2	C446 I451 P452 E453 C458	C446-C456 HydrophobicContact CB-CB 3.82Å; C446-C456 WeakPolarHBondContact CB-SG 3.3Å; C446-C456 WeakPolarHBondContact SG-CB 3.24Å; C446-C456 CovalentContact SG-SG 2.04Å; C446-C456 PolarHBondContact SG-SG 2.99Å; I451-C456 HydrophobicContact CG2-CB 4.38Å; P452-C456 PolarHBondContact O-N 3.38Å; E453-C456 WeakPolarHBondContact O-CB 3.42Å; E453-C456 PolarHBondContact O-N 2.7Å; C456-C458 VanDerWaalsContact SG-SG 3.69Å
457	T	89.9	Confident	88.1	Confident	2 Å²	2	50.3 Å²	50.3	1%	0.012	28%	0.278	C	S	.	.			trans	-100.8	-0.1	-178.5	51.5	0	0	0	0	113.7	P59 N186 M361 N364 T365 Y455 G459	P59-T457 WeakPolarHBondContact CD-O 3.14Å; N186-T457 VanDerWaalsContact OD1-CG2 3.25Å; N186-T457 WeakPolarHBondContact OD1-CG2 3.41Å; N186-T457 PolarHBondContact OD1-OG1 3.43Å; M361-T457 HydrophobicContact SD-CG2 4Å; N364-T457 HydrophobicContact CB-CG2 3.43Å; N364-T457 VanDerWaalsContact CB-CG2 3.43Å; T365-T457 HydrophobicContact CG2-CG2 4.1Å; Y455-T457 PolarHBondContact O-N 3.23Å; T457-G459 PolarHBondContact O-N 2.89Å
458	C	86.1	Confident	88.2	Confident	16 Å²	16	43.1 Å²	43.1	11%	0.108	25%	0.245	C	C	.	.	S	Bend	trans	-74.5	-9.2	-174.2	-48.1	0	0	0	0	114.8	C56 C446 C456	C56-C458 HydrophobicContact CB-CB 3.86Å; C56-C458 WeakPolarHBondContact CB-SG 3.32Å; C56-C458 WeakPolarHBondContact SG-CB 3.25Å; C56-C458 CovalentContact SG-SG 2.02Å; C56-C458 PolarHBondContact SG-SG 3.47Å; C446-C458 PolarHBondContact SG-SG 2.95Å; C456-C458 VanDerWaalsContact SG-SG 3.69Å
459	G	78.2	Confident	88.2	Confident	24 Å²	24	46.1 Å²	46.1	25%	0.247	26%	0.26	C	S	.	.	S	Bend	trans	-97.1	162.4	-178.8	0	0	0	0	0	113.3	T457 L509	T457-G459 PolarHBondContact O-N 2.89Å; G459-L509 WeakPolarHBondContact CA-O 3.45Å
460	Q	77.4	Confident	88	Confident	115 Å²	115	46.9 Å²	46.9	54%	0.537	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	139.4	172.5	-177.4	177	0.7	0	0	110.2	L509	Q460-L509 HydrophobicContact CB-CB 4.37Å; Q460-L509 PolarHBondContact N-O 3.39Å; Q460-L509 PolarHBondContact O-N 3.05Å
461	Q	82	Confident	88	Confident	26 Å²	26	44.1 Å²	44.1	12%	0.121	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	129.7	172	-69.5	172.6	37.6	0	0	109.7	R360 M361 Y506 F508	R360-Q461 VanDerWaalsContact NH1-NE2 3.16Å; M361-Q461 HydrophobicContact CE-CG 4.47Å; M361-Q461 VanDerWaalsContact CE-NE2 3.26Å; Q461-Y506 HydrophobicContact CB-CD1 4.3Å; Q461-F508 HydrophobicContact CG-CD1 3.7Å; Q461-F508 HydrophobicContact CG-CE1 3.42Å; Q461-F508 VanDerWaalsContact CG-CE1 3.42Å; Q461-F508 HydrophobicContact CG-CZ 4.38Å
462	V	83.9	Confident	88.1	Confident	54 Å²	54	48.1 Å²	48.1	33%	0.327	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	124	174.3	179.9	0	0	0	0	108.9	I464 Y506 A507 L509	V462-I464 PolarHBondContact O-N 3.34Å; V462-Y506 CarbonylContact O-C 3.45Å; V462-Y506 WeakPolarHBondContact O-CA 3.47Å; V462-Y506 WeakPolarHBondContact O-CB 2.96Å; V462-A507 PolarHBondContact N-O 3.31Å; V462-A507 PolarHBondContact O-N 3.03Å; V462-L509 HydrophobicContact CG2-CD1 3.54Å; V462-L509 HydrophobicContact CG2-CG 3.98Å
463	T	86.4	Confident	88.2	Confident	108 Å²	108	50.3 Å²	50.3	66%	0.663	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.2	133.6	-179.4	-52.9	0	0	0	0	111.5	Y506	T463-Y506 HydrophobicContact CG2-CE1 4.37Å
464	I	87.7	Confident	88.6	Confident	20 Å²	20	45.9 Å²	45.9	10%	0.103	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	141.7	169.8	-58.9	174	0	0	0	107.7	V462 A466 T468 A505 A507 Y538	V462-I464 PolarHBondContact O-N 3.34Å; I464-A466 PolarHBondContact O-N 3.28Å; I464-T468 HydrophobicContact CG2-CG2 4.19Å; I464-A505 HydrophobicContact CB-CB 4.03Å; I464-A505 HydrophobicContact CG2-CB 4.47Å; I464-A505 PolarHBondContact N-O 3.42Å; I464-A507 HydrophobicContact CD1-CB 3.94Å; I464-A507 HydrophobicContact CG1-CB 4.35Å; I464-Y538 HydrophobicContact CD1-CD1 3.6Å; I464-Y538 HydrophobicContact CD1-CE1 3.9Å
465	N	88.3	Confident	88.9	Confident	87 Å²	87	45.1 Å²	45.1	47%	0.465	25%	0.249	S	C	.	.			trans	-62.2	123.3	172.1	-175.9	-21.5	0	0	0	110	V40 S467 T468	V40-N465 HydrophobicContact CG1-CB 4.49Å; N465-S467 PolarHBondContact O-N 3.22Å; N465-S467 WeakPolarHBondContact OD1-CB 3.04Å; N465-S467 PolarHBondContact OD1-N 3.31Å; N465-S467 PolarHBondContact OD1-OG 2.86Å; N465-T468 HydrophobicContact CB-CG2 4.09Å; N465-T468 WeakPolarHBondContact O-CB 3.45Å; N465-T468 VanDerWaalsContact O-CG2 3.29Å; N465-T468 WeakPolarHBondContact O-CG2 3.41Å; N465-T468 PolarHBondContact O-N 3.15Å; N465-T468 VanDerWaalsContact O-N 3.07Å; N465-T468 PolarHBondContact O-OG1 2.04Å
466	A	91.8	Very high	89.2	Confident	28 Å²	28	48.7 Å²	48.7	23%	0.231	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-16.5	-179.8	0	0	0	0	0	113.9	I464 V502	I464-A466 PolarHBondContact O-N 3.28Å; A466-V502 HydrophobicContact CB-CB 4.11Å; A466-V502 HydrophobicContact CB-CG1 3.88Å
467	S	90.9	Very high	89.5	Confident	81 Å²	81	49.7 Å²	49.7	57%	0.566	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-6.9	178.4	-51.1	0	0	0	0	113.8	N465 K472	N465-S467 PolarHBondContact O-N 3.22Å; N465-S467 WeakPolarHBondContact OD1-CB 3.04Å; N465-S467 PolarHBondContact OD1-N 3.31Å; N465-S467 PolarHBondContact OD1-OG 2.86Å; S467-K472 WeakPolarHBondContact O-CE 3.39Å; S467-K472 PolarHBondContact O-NZ 2.84Å
468	T	90.3	Very high	89.9	Confident	18 Å²	18	49.6 Å²	49.6	11%	0.11	27%	0.267	C	S	.	.	S	Bend	trans	-65.4	149.1	178.7	56.5	0	0	0	0	111.3	V40 I464 N465 L470 A471 K472	V40-T468 HydrophobicContact CG1-CG2 3.69Å; I464-T468 HydrophobicContact CG2-CG2 4.19Å; N465-T468 HydrophobicContact CB-CG2 4.09Å; N465-T468 WeakPolarHBondContact O-CB 3.45Å; N465-T468 VanDerWaalsContact O-CG2 3.29Å; N465-T468 WeakPolarHBondContact O-CG2 3.41Å; N465-T468 PolarHBondContact O-N 3.15Å; N465-T468 VanDerWaalsContact O-N 3.07Å; N465-T468 PolarHBondContact O-OG1 2.04Å; T468-L470 PolarHBondContact O-N 3.42Å; T468-A471 PolarHBondContact O-N 3.28Å; T468-A471 VanDerWaalsContact O-N 3.11Å; T468-A471 VanDerWaalsContact OG1-CB 3.27Å; T468-A471 WeakPolarHBondContact OG1-CB 3.31Å; T468-A471 PolarHBondContact OG1-N 2.91Å; T468-K472 PolarHBondContact O-N 3.24Å
469	E	90.1	Very high	90.4	Very high	133 Å²	133	48.9 Å²	48.9	62%	0.621	26%	0.262	S	S	*	.	H	α-helix	trans	-60.2	-34.7	176.6	-68.9	-52.5	123.4	0	0	112.2	K472 K473	E469-K472 PolarHBondContact O-N 3.18Å; E469-K472 IonicContact OE1-NZ 2.8Å; E469-K472 PolarHBondContact OE1-NZ 3.22Å; E469-K473 VanDerWaalsContact O-CB 3.23Å; E469-K473 WeakPolarHBondContact O-CB 3.05Å; E469-K473 PolarHBondContact O-N 2.89Å
470	L	87.1	Confident	91.4	Very high	17 Å²	17	50.6 Å²	50.6	9%	0.089	27%	0.265	C	S	.	.	H	α-helix	trans	-61.1	-46.8	173.4	-179.7	60.5	0	0	0	112.1	P42 F44 T468 S474 Y538	P42-L470 HydrophobicContact CG-CD2 4.18Å; F44-L470 HydrophobicContact CE1-CD2 4.15Å; T468-L470 PolarHBondContact O-N 3.42Å; L470-S474 VanDerWaalsContact O-CB 3.23Å; L470-S474 WeakPolarHBondContact O-CB 3.35Å; L470-S474 PolarHBondContact O-N 3.11Å; L470-S474 PolarHBondContact O-OG 3.28Å; L470-Y538 HydrophobicContact CD1-CE2 4.48Å; L470-Y538 HydrophobicContact CD2-CD1 4.08Å; L470-Y538 HydrophobicContact CD2-CE1 3.5Å; L470-Y538 HydrophobicContact CD2-CE2 4.33Å
471	A	92.2	Very high	92.4	Very high	3 Å²	3	48.2 Å²	48.2	3%	0.025	25%	0.252	C	S	.	.	H	α-helix	trans	-62.9	-42.9	177.6	0	0	0	0	0	111.8	T468 A475 V502 A505	T468-A471 PolarHBondContact O-N 3.28Å; T468-A471 VanDerWaalsContact O-N 3.11Å; T468-A471 VanDerWaalsContact OG1-CB 3.27Å; T468-A471 WeakPolarHBondContact OG1-CB 3.31Å; T468-A471 PolarHBondContact OG1-N 2.91Å; A471-A475 VanDerWaalsContact O-CB 3.23Å; A471-A475 WeakPolarHBondContact O-CB 3.24Å; A471-A475 PolarHBondContact O-N 3.28Å; A471-V502 HydrophobicContact CB-CG1 4.47Å; A471-A505 HydrophobicContact CB-CB 3.87Å
472	K	95.4	Very high	93.1	Very high	92 Å²	92	47 Å²	47	40%	0.4	25%	0.246	S	C	.	.	H	α-helix	trans	-65.3	-47.1	176.8	-65.9	176.7	-166.5	158.7	0	112.7	S467 T468 E469 S474 A475 Q476	S467-K472 WeakPolarHBondContact O-CE 3.39Å; S467-K472 PolarHBondContact O-NZ 2.84Å; T468-K472 PolarHBondContact O-N 3.24Å; E469-K472 PolarHBondContact O-N 3.18Å; E469-K472 IonicContact OE1-NZ 2.8Å; E469-K472 PolarHBondContact OE1-NZ 3.22Å; K472-S474 VanDerWaalsContact C-N 3.31Å; K472-S474 PolarHBondContact O-N 3.09Å; K472-A475 PolarHBondContact O-N 3.43Å; K472-Q476 PolarHBondContact O-N 3.35Å
473	K	93.9	Very high	93.8	Very high	88 Å²	88	45.9 Å²	45.9	38%	0.383	24%	0.239	S	C	.	.	H	α-helix	trans	-59	-44.7	177	-175.7	-174.8	175.3	-167.9	0	110.6	E469 Q476 F477 D562 L564	E469-K473 VanDerWaalsContact O-CB 3.23Å; E469-K473 WeakPolarHBondContact O-CB 3.05Å; E469-K473 PolarHBondContact O-N 2.89Å; K473-Q476 PolarHBondContact O-N 3.09Å; K473-F477 WeakPolarHBondContact O-CB 3.37Å; K473-F477 PolarHBondContact O-N 2.92Å; K473-D562 PolarHBondContact NZ-O 3.41Å; K473-D562 IonicContact NZ-OD1 2.9Å; K473-D562 PolarHBondContact NZ-OD1 3.47Å; K473-D562 IonicContact NZ-OD2 3.85Å; K473-D562 PolarHBondContact NZ-OD2 2.94Å; K473-L564 HydrophobicContact CD-CD1 4.15Å; K473-L564 HydrophobicContact CG-CD1 3.94Å
474	S	94.6	Very high	94.3	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.007	23%	0.229	C	C	.	.	H	α-helix	trans	-64.3	-45	177.7	-59.7	0	0	0	0	111.7	L470 K472 Q476 F477 V478	L470-S474 VanDerWaalsContact O-CB 3.23Å; L470-S474 WeakPolarHBondContact O-CB 3.35Å; L470-S474 PolarHBondContact O-N 3.11Å; L470-S474 PolarHBondContact O-OG 3.28Å; K472-S474 VanDerWaalsContact C-N 3.31Å; K472-S474 PolarHBondContact O-N 3.09Å; S474-Q476 PolarHBondContact O-N 2.94Å; S474-F477 WeakPolarHBondContact O-CB 3.3Å; S474-F477 PolarHBondContact O-N 2.74Å; S474-V478 WeakPolarHBondContact O-CG2 3.2Å; S474-V478 PolarHBondContact O-N 3.46Å; S474-V478 VanDerWaalsContact O-N 3.09Å
475	A	97.4	Very high	94.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61	-43.7	177	0	0	0	0	0	112.9	A471 K472 V478 V479 L499 V502 I542	A471-A475 VanDerWaalsContact O-CB 3.23Å; A471-A475 WeakPolarHBondContact O-CB 3.24Å; A471-A475 PolarHBondContact O-N 3.28Å; K472-A475 PolarHBondContact O-N 3.43Å; A475-V478 PolarHBondContact O-N 2.92Å; A475-V479 PolarHBondContact O-N 3.49Å; A475-L499 HydrophobicContact CB-CD1 3.98Å; A475-L499 HydrophobicContact CB-CD2 3.75Å; A475-V502 HydrophobicContact CB-CG2 3.53Å; A475-I542 HydrophobicContact CB-CG2 3.41Å; A475-I542 VanDerWaalsContact CB-CG2 3.41Å
476	Q	97.9	Very high	95.1	Very high	80 Å²	80	44.1 Å²	44.1	37%	0.374	21%	0.214	S	C	.	.	H	α-helix	trans	-64.4	-42.7	176.4	-172.5	58.6	50.8	0	0	111.2	K472 K473 S474 V478 V479 D480	K472-Q476 PolarHBondContact O-N 3.35Å; K473-Q476 PolarHBondContact O-N 3.09Å; S474-Q476 PolarHBondContact O-N 2.94Å; Q476-V478 VanDerWaalsContact C-N 3.26Å; Q476-V478 PolarHBondContact O-N 3.48Å; Q476-V479 PolarHBondContact O-N 2.78Å; Q476-V479 VanDerWaalsContact O-N 3.11Å; Q476-D480 PolarHBondContact NE2-OD1 3.28Å; Q476-D480 VanDerWaalsContact O-CG 3.25Å; Q476-D480 PolarHBondContact O-N 3.2Å
477	F	97.4	Very high	95.3	Very high	51 Å²	51	48.6 Å²	48.6	22%	0.224	23%	0.23	C	C	.	.	H	α-helix	trans	-57.7	-38.8	177	-174.5	-88.6	0	0	0	112.6	K473 S474 D480 Y481 L555 L564 I566	K473-F477 WeakPolarHBondContact O-CB 3.37Å; K473-F477 PolarHBondContact O-N 2.92Å; S474-F477 WeakPolarHBondContact O-CB 3.3Å; S474-F477 PolarHBondContact O-N 2.74Å; F477-D480 PolarHBondContact O-N 2.8Å; F477-Y481 VanDerWaalsContact O-CB 3.31Å; F477-Y481 WeakPolarHBondContact O-CB 3.23Å; F477-Y481 PolarHBondContact O-N 3.32Å; F477-L555 HydrophobicContact CB-CD2 4.21Å; F477-L555 HydrophobicContact CD1-CD2 3.75Å; F477-L555 HydrophobicContact CG-CD2 4.29Å; F477-L564 HydrophobicContact CB-CD1 4.21Å; F477-L564 HydrophobicContact CD1-CB 4.23Å; F477-L564 HydrophobicContact CD2-CB 3.96Å; F477-L564 HydrophobicContact CE1-CB 4.31Å; F477-L564 HydrophobicContact CE2-CB 4.05Å; F477-L564 WeakPolarHBondContact CE2-O 3.48Å; F477-L564 HydrophobicContact CG-CB 4.05Å; F477-L564 HydrophobicContact CG-CD1 4.38Å; F477-L564 HydrophobicContact CZ-CB 4.23Å; F477-L564 WeakPolarHBondContact CZ-O 3.35Å; F477-I566 HydrophobicContact CD1-CD1 3.92Å; F477-I566 HydrophobicContact CD1-CG1 4.45Å; F477-I566 HydrophobicContact CE1-CD1 3.95Å; F477-I566 HydrophobicContact CE1-CG1 4.01Å
478	V	98.3	Very high	95.5	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61.9	-47.7	175.1	173.1	0	0	0	0	111.2	S474 A475 Q476 D480 Y481 L482 V540 I542 A553 L555 I566 I570	S474-V478 WeakPolarHBondContact O-CG2 3.2Å; S474-V478 PolarHBondContact O-N 3.46Å; S474-V478 VanDerWaalsContact O-N 3.09Å; A475-V478 PolarHBondContact O-N 2.92Å; Q476-V478 VanDerWaalsContact C-N 3.26Å; Q476-V478 PolarHBondContact O-N 3.48Å; V478-D480 PolarHBondContact O-N 2.88Å; V478-Y481 PolarHBondContact O-N 3.14Å; V478-L482 HydrophobicContact CG1-CD1 4.24Å; V478-L482 WeakPolarHBondContact O-CG 3.48Å; V478-L482 PolarHBondContact O-N 3.17Å; V478-V540 HydrophobicContact CG2-CG2 3.83Å; V478-I542 HydrophobicContact CB-CD1 4.07Å; V478-I542 HydrophobicContact CG1-CD1 3.7Å; V478-I542 HydrophobicContact CG1-CG1 4.41Å; V478-A553 HydrophobicContact CG1-CB 4.03Å; V478-A553 HydrophobicContact CG2-CB 3.56Å; V478-L555 HydrophobicContact CG2-CD1 3.85Å; V478-L555 HydrophobicContact CG2-CD2 4.27Å; V478-L555 HydrophobicContact CG2-CG 4.34Å; V478-I566 HydrophobicContact CG2-CD1 3.97Å; V478-I570 HydrophobicContact CG1-CD1 4.01Å
479	V	98.5	Very high	95.6	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.006	25%	0.25	C	S	.	.	H	α-helix	trans	-61.9	-44.6	178.2	174.2	0	0	0	0	111.2	A475 Q476 Y481 L482 N483 L497 L499 I542 A544	A475-V479 PolarHBondContact O-N 3.49Å; Q476-V479 PolarHBondContact O-N 2.78Å; Q476-V479 VanDerWaalsContact O-N 3.11Å; V479-Y481 VanDerWaalsContact C-N 3.32Å; V479-Y481 PolarHBondContact O-N 3.16Å; V479-L482 PolarHBondContact O-N 3.09Å; V479-N483 PolarHBondContact O-N 3.25Å; V479-N483 PolarHBondContact O-ND2 2.78Å; V479-L497 HydrophobicContact CG1-CB 4.2Å; V479-L497 WeakPolarHBondContact CG1-O 3.36Å; V479-L499 HydrophobicContact CG2-CB 3.93Å; V479-L499 HydrophobicContact CG2-CD1 4.21Å; V479-I542 HydrophobicContact CG2-CD1 3.47Å; V479-I542 VanDerWaalsContact CG2-CD1 3.47Å; V479-A544 HydrophobicContact CG2-CB 4.46Å
480	D	98.2	Very high	95.7	Very high	60 Å²	60	49 Å²	49	32%	0.321	22%	0.222	S	C	.	.	H	α-helix	trans	-63.8	-39.9	178.7	-61.6	-19.6	0	0	0	111.4	Q476 F477 V478 N483 R484	Q476-D480 PolarHBondContact NE2-OD1 3.28Å; Q476-D480 VanDerWaalsContact O-CG 3.25Å; Q476-D480 PolarHBondContact O-N 3.2Å; F477-D480 PolarHBondContact O-N 2.8Å; V478-D480 PolarHBondContact O-N 2.88Å; D480-N483 PolarHBondContact O-N 3.5Å; D480-R484 WeakPolarHBondContact O-CG 3.42Å; D480-R484 PolarHBondContact O-N 2.99Å; D480-R484 PolarHBondContact O-NH1 2.74Å
481	Y	97.8	Very high	96	Very high	64 Å²	64	51.9 Å²	51.9	25%	0.251	24%	0.242	S	C	.	.	H	α-helix	trans	-61.5	-48	174.3	-179.8	-84.3	0	0	0	111.5	F477 V478 V479 N483 R484 Q485 I566 I570	F477-Y481 VanDerWaalsContact O-CB 3.31Å; F477-Y481 WeakPolarHBondContact O-CB 3.23Å; F477-Y481 PolarHBondContact O-N 3.32Å; V478-Y481 PolarHBondContact O-N 3.14Å; V479-Y481 VanDerWaalsContact C-N 3.32Å; V479-Y481 PolarHBondContact O-N 3.16Å; Y481-N483 PolarHBondContact O-N 2.61Å; Y481-R484 PolarHBondContact O-N 2.83Å; Y481-Q485 HydrophobicContact CD1-CG 3.97Å; Y481-Q485 HydrophobicContact CE1-CG 3.5Å; Y481-Q485 VanDerWaalsContact CE1-CG 3.5Å; Y481-Q485 WeakPolarHBondContact O-CG 3.44Å; Y481-Q485 PolarHBondContact O-N 2.02Å; Y481-I566 HydrophobicContact CD1-CG1 3.92Å; Y481-I566 HydrophobicContact CD2-CB 4.41Å; Y481-I566 HydrophobicContact CD2-CG1 3.64Å; Y481-I566 HydrophobicContact CE1-CG1 4.25Å; Y481-I566 HydrophobicContact CE2-CB 4.28Å; Y481-I566 HydrophobicContact CE2-CG1 4Å; Y481-I566 HydrophobicContact CG-CG1 3.61Å; Y481-I570 HydrophobicContact CD1-CD1 3.62Å; Y481-I570 HydrophobicContact CE1-CD1 4.06Å
482	L	97.9	Very high	96	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-59.8	-45.5	177.9	-72.4	175.6	0	0	0	111.5	V478 V479 R484 Q485 L486 L497 F551 I570 Y591	V478-L482 HydrophobicContact CG1-CD1 4.24Å; V478-L482 WeakPolarHBondContact O-CG 3.48Å; V478-L482 PolarHBondContact O-N 3.17Å; V479-L482 PolarHBondContact O-N 3.09Å; L482-R484 VanDerWaalsContact C-N 3.32Å; L482-R484 PolarHBondContact O-N 3.36Å; L482-Q485 PolarHBondContact O-N 2.99Å; L482-L486 WeakPolarHBondContact O-CB 3.48Å; L482-L486 VanDerWaalsContact O-CG 3.3Å; L482-L486 WeakPolarHBondContact O-CG 3.28Å; L482-L486 PolarHBondContact O-N 3.28Å; L482-L497 HydrophobicContact CB-CD1 4.13Å; L482-L497 HydrophobicContact CD1-CD1 4.13Å; L482-F551 HydrophobicContact CD1-CB 4.44Å; L482-F551 HydrophobicContact CD1-CD1 4.33Å; L482-F551 HydrophobicContact CD1-CD2 3.75Å; L482-F551 HydrophobicContact CD1-CE2 4Å; L482-F551 HydrophobicContact CD1-CG 3.92Å; L482-F551 HydrophobicContact CD1-CZ 4.41Å; L482-I570 HydrophobicContact CD2-CB 4.33Å; L482-I570 HydrophobicContact CD2-CD1 3.54Å; L482-I570 HydrophobicContact CD2-CG2 4.32Å; L482-I570 HydrophobicContact CG-CD1 3.8Å; L482-Y591 HydrophobicContact CD2-CD1 3.6Å; L482-Y591 HydrophobicContact CD2-CD2 3.86Å; L482-Y591 HydrophobicContact CD2-CE1 3.84Å; L482-Y591 HydrophobicContact CD2-CE2 4.08Å; L482-Y591 HydrophobicContact CD2-CG 3.61Å
483	N	98.4	Very high	96	Very high	31 Å²	31	55.8 Å²	55.8	17%	0.166	27%	0.272	C	S	.	.	H	α-helix	trans	-59.5	-41.5	176.5	-77.4	-35	0	0	0	112.2	V479 D480 Y481 L486 E487 L497	V479-N483 PolarHBondContact O-N 3.25Å; V479-N483 PolarHBondContact O-ND2 2.78Å; D480-N483 PolarHBondContact O-N 3.5Å; Y481-N483 PolarHBondContact O-N 2.61Å; N483-L486 PolarHBondContact O-N 3.31Å; N483-E487 WeakPolarHBondContact O-CB 3.4Å; N483-E487 PolarHBondContact O-N 2.8Å; N483-L497 PolarHBondContact ND2-O 3.32Å; N483-L497 PolarHBondContact OD1-N 2.85Å
484	R	97.3	Very high	96.1	Very high	125 Å²	125	52.3 Å²	52.3	47%	0.472	26%	0.258	S	S	.	.	H	α-helix	trans	-63.2	-41.7	174.8	-72.7	-171.8	-59.3	-86.9	4.8	112.6	D480 Y481 L482 K488	D480-R484 WeakPolarHBondContact O-CG 3.42Å; D480-R484 PolarHBondContact O-N 2.99Å; D480-R484 PolarHBondContact O-NH1 2.74Å; Y481-R484 PolarHBondContact O-N 2.83Å; L482-R484 VanDerWaalsContact C-N 3.32Å; L482-R484 PolarHBondContact O-N 3.36Å; R484-K488 VanDerWaalsContact O-CB 3.29Å; R484-K488 WeakPolarHBondContact O-CB 3.23Å; R484-K488 PolarHBondContact O-N 2.77Å; R484-K488 VanDerWaalsContact O-N 3.08Å
485	Q	95.7	Very high	96.2	Very high	45 Å²	45	52.9 Å²	52.9	21%	0.21	26%	0.263	C	S	.	.	H	α-helix	trans	-67.9	-42.8	177.8	-64.9	-54.4	-44.1	0	0	111.7	Y481 L482 K488 L489 M588	Y481-Q485 HydrophobicContact CD1-CG 3.97Å; Y481-Q485 HydrophobicContact CE1-CG 3.5Å; Y481-Q485 VanDerWaalsContact CE1-CG 3.5Å; Y481-Q485 WeakPolarHBondContact O-CG 3.44Å; Y481-Q485 PolarHBondContact O-N 2.02Å; L482-Q485 PolarHBondContact O-N 2.99Å; Q485-K488 PolarHBondContact O-N 3.26Å; Q485-L489 WeakPolarHBondContact O-CB 3.39Å; Q485-L489 PolarHBondContact O-N 2.83Å; Q485-M588 HydrophobicContact CB-SD 3.88Å
486	L	96.6	Very high	96.2	Very high	7 Å²	7	57.5 Å²	57.5	4%	0.037	29%	0.292	C	S	.	.	H	α-helix	trans	-62.5	-45.1	176.9	-72.9	172.4	0	0	0	111.5	L482 N483 K488 E490 C494 L497 M588 C592	L482-L486 WeakPolarHBondContact O-CB 3.48Å; L482-L486 VanDerWaalsContact O-CG 3.3Å; L482-L486 WeakPolarHBondContact O-CG 3.28Å; L482-L486 PolarHBondContact O-N 3.28Å; N483-L486 PolarHBondContact O-N 3.31Å; L486-K488 VanDerWaalsContact C-N 3.32Å; L486-K488 PolarHBondContact O-N 3.47Å; L486-E490 CarbonylContact O-C 3.58Å; L486-E490 VanDerWaalsContact O-CA 3.22Å; L486-E490 WeakPolarHBondContact O-CA 3.08Å; L486-E490 WeakPolarHBondContact O-CB 3.45Å; L486-E490 PolarHBondContact O-N 3.28Å; L486-C494 HydrophobicContact CB-CB 4.47Å; L486-C494 HydrophobicContact CD1-CB 4.37Å; L486-C494 HydrophobicContact CD2-CB 4.06Å; L486-L497 HydrophobicContact CD1-CD1 3.91Å; L486-L497 HydrophobicContact CD1-CG 4.15Å; L486-M588 HydrophobicContact CD2-CB 4.22Å; L486-C592 HydrophobicContact CD2-CB 4.1Å
487	E	95.8	Very high	96.2	Very high	122 Å²	122	54 Å²	54	57%	0.57	28%	0.275	S	S	*	.	H	α-helix	trans	-63.4	-40	176.9	-173.3	58.4	-153	0	0	111.7	N483 P491	N483-E487 WeakPolarHBondContact O-CB 3.4Å; N483-E487 PolarHBondContact O-N 2.8Å; E487-P491 WeakPolarHBondContact O-CA 3.02Å; E487-P491 WeakPolarHBondContact O-CB 3.38Å
488	K	94.5	Very high	96.3	Very high	158 Å²	158	60.1 Å²	60.1	69%	0.687	30%	0.297	S	S	*	.	H	α-helix	trans	-68.9	-42.6	179.8	-178.3	-178.6	176.7	-175.8	0	113.1	R484 Q485 L486	R484-K488 VanDerWaalsContact O-CB 3.29Å; R484-K488 WeakPolarHBondContact O-CB 3.23Å; R484-K488 PolarHBondContact O-N 2.77Å; R484-K488 VanDerWaalsContact O-N 3.08Å; Q485-K488 PolarHBondContact O-N 3.26Å; L486-K488 VanDerWaalsContact C-N 3.32Å; L486-K488 PolarHBondContact O-N 3.47Å
489	L	92.3	Very high	96.3	Very high	78 Å²	78	62.4 Å²	62.4	41%	0.408	31%	0.309	S	S	.	.	H	α-helix	trans	-102.6	-22.9	-169.1	-64.9	174.1	0	0	0	113.4	Q485 M588	Q485-L489 WeakPolarHBondContact O-CB 3.39Å; Q485-L489 PolarHBondContact O-N 2.83Å; L489-M588 HydrophobicContact CB-CG 3.81Å; L489-M588 HydrophobicContact CD1-CE 3.87Å; L489-M588 HydrophobicContact CD1-CG 3.69Å; L489-M588 HydrophobicContact CD1-SD 3.8Å; L489-M588 HydrophobicContact CG-CG 4.41Å
490	E	93.3	Very high	96.3	Very high	4 Å²	4	65.6 Å²	65.6	2%	0.019	33%	0.329	C	S	.	.	S	Bend	trans	-135	50.3	-178.5	-61.4	-63.5	153.6	0	0	111.5	L486 G492 R493 C494 A583 V584 S585 M588	L486-E490 CarbonylContact O-C 3.58Å; L486-E490 VanDerWaalsContact O-CA 3.22Å; L486-E490 WeakPolarHBondContact O-CA 3.08Å; L486-E490 WeakPolarHBondContact O-CB 3.45Å; L486-E490 PolarHBondContact O-N 3.28Å; E490-G492 PolarHBondContact O-N 2.72Å; E490-R493 HydrophobicContact CB-CB 4.29Å; E490-R493 PolarHBondContact O-N 3.45Å; E490-R493 VanDerWaalsContact O-N 3.08Å; E490-R493 WeakPolarHBondContact OE2-CD 3.43Å; E490-C494 VanDerWaalsContact CB-SG 3.59Å; E490-A583 WeakPolarHBondContact OE2-CA 3.32Å; E490-V584 PolarHBondContact OE1-N 3.43Å; E490-V584 PolarHBondContact OE2-N 2.94Å; E490-S585 WeakPolarHBondContact OE1-CA 3.37Å; E490-S585 WeakPolarHBondContact OE1-CB 3.24Å; E490-S585 PolarHBondContact OE1-N 2.92Å; E490-M588 HydrophobicContact CG-CB 3.88Å; E490-M588 HydrophobicContact CG-CG 4.3Å
491	P	92.6	Very high	96.3	Very high	79 Å²	79	67.9 Å²	67.9	51%	0.513	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	128.3	-172.2	23.2	-34.3	0	0	0	111.4	E487 R493	E487-P491 WeakPolarHBondContact O-CA 3.02Å; E487-P491 WeakPolarHBondContact O-CB 3.38Å; P491-R493 PolarHBondContact O-N 2.9Å; P491-R493 VanDerWaalsContact O-N 3.1Å
492	G	93.1	Very high	96.3	Very high	60 Å²	60	66.1 Å²	66.1	62%	0.619	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	10.5	177.6	0	0	0	0	0	116	E490 L595	E490-G492 PolarHBondContact O-N 2.72Å; G492-L595 WeakPolarHBondContact O-CD1 3.2Å
493	R	94.5	Very high	96.2	Very high	117 Å²	117	68.9 Å²	68.9	44%	0.442	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-37.2	177.8	-66.5	172.4	174.2	-93.4	-8.2	112.5	E490 P491 C582 L595	E490-R493 HydrophobicContact CB-CB 4.29Å; E490-R493 PolarHBondContact O-N 3.45Å; E490-R493 VanDerWaalsContact O-N 3.08Å; E490-R493 WeakPolarHBondContact OE2-CD 3.43Å; P491-R493 PolarHBondContact O-N 2.9Å; P491-R493 VanDerWaalsContact O-N 3.1Å; R493-C582 PolarHBondContact NH1-O 2.81Å; R493-C582 PolarHBondContact O-SG 2.94Å; R493-L595 PolarHBondContact O-N 2.8Å
494	C	96.5	Very high	96	Very high	14 Å²	14	68.4 Å²	68.4	10%	0.095	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-106.2	141.3	-174	-52.4	0	0	0	0	110.7	L486 E490 C592 Y593	L486-C494 HydrophobicContact CB-CB 4.47Å; L486-C494 HydrophobicContact CD1-CB 4.37Å; L486-C494 HydrophobicContact CD2-CB 4.06Å; E490-C494 VanDerWaalsContact CB-SG 3.59Å; C494-C592 HydrophobicContact CB-CB 4.03Å; C494-C592 WeakPolarHBondContact CB-SG 3.47Å; C494-C592 WeakPolarHBondContact SG-CB 3.32Å; C494-C592 CovalentContact SG-SG 2.04Å; C494-C592 PolarHBondContact SG-SG 3.5Å; C494-Y593 CarbonylContact C-O 3.47Å; C494-Y593 VanDerWaalsContact CA-O 3.3Å; C494-Y593 WeakPolarHBondContact CA-O 3.29Å
495	A	96.3	Very high	95.9	Very high	13 Å²	13	62.6 Å²	62.6	11%	0.107	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-66.9	144.3	173.6	0	0	0	0	0	110.9	L497 P546 Y593 L595	A495-L497 PolarHBondContact O-N 3.03Å; A495-P546 HydrophobicContact CB-CG 3.6Å; A495-Y593 HydrophobicContact CB-CD1 3.99Å; A495-Y593 PolarHBondContact N-O 3.02Å; A495-L595 HydrophobicContact CB-CD2 3.78Å; A495-L595 HydrophobicContact CB-CG 4.46Å
496	T	97.7	Very high	95.6	Very high	98 Å²	98	61.7 Å²	61.7	60%	0.601	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-62.9	121.7	170.5	-49.2	0	0	0	0	109.8
497	L	98.3	Very high	95.1	Very high	5 Å²	5	62 Å²	62	3%	0.026	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-75.8	146.6	176.7	-58.7	178.5	0	0	0	110.6	V479 L482 N483 L486 A495 T545 F551	V479-L497 HydrophobicContact CG1-CB 4.2Å; V479-L497 WeakPolarHBondContact CG1-O 3.36Å; L482-L497 HydrophobicContact CB-CD1 4.13Å; L482-L497 HydrophobicContact CD1-CD1 4.13Å; N483-L497 PolarHBondContact ND2-O 3.32Å; N483-L497 PolarHBondContact OD1-N 2.85Å; L486-L497 HydrophobicContact CD1-CD1 3.91Å; L486-L497 HydrophobicContact CD1-CG 4.15Å; A495-L497 PolarHBondContact O-N 3.03Å; L497-T545 CarbonylContact C-O 3.5Å; L497-T545 WeakPolarHBondContact CA-O 3.42Å; L497-F551 HydrophobicContact CD1-CE2 3.97Å; L497-F551 HydrophobicContact CD1-CZ 4.24Å
498	R	98.6	Very high	94.3	Very high	181 Å²	181	57.9 Å²	57.9	68%	0.683	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129	141.3	174.2	-61	179.3	-178.1	174.8	-0	109	T500 A544 T545	R498-T500 PolarHBondContact O-N 3.2Å; R498-A544 CarbonylContact O-C 3.53Å; R498-A544 WeakPolarHBondContact O-CA 3.41Å; R498-A544 WeakPolarHBondContact O-CB 3.38Å; R498-T545 HydrophobicContact CB-CG2 3.91Å; R498-T545 PolarHBondContact N-O 2.84Å; R498-T545 PolarHBondContact O-N 3.03Å
499	L	98.6	Very high	93	Very high	47 Å²	47	51.4 Å²	51.4	25%	0.246	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	124.5	174.8	-178	62.6	0	0	0	109.5	A475 V479 I542	A475-L499 HydrophobicContact CB-CD1 3.98Å; A475-L499 HydrophobicContact CB-CD2 3.75Å; V479-L499 HydrophobicContact CG2-CB 3.93Å; V479-L499 HydrophobicContact CG2-CD1 4.21Å; L499-I542 HydrophobicContact CD1-CB 3.81Å; L499-I542 HydrophobicContact CD1-CD1 4.09Å; L499-I542 HydrophobicContact CD1-CG2 4.03Å
500	T	98.2	Very high	91.5	Very high	69 Å²	69	48.5 Å²	48.5	42%	0.423	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	-54.7	171.9	-54.4	0	0	0	0	109.9	R498 E543 T545	R498-T500 PolarHBondContact O-N 3.2Å; T500-E543 WeakPolarHBondContact CA-O 3.18Å; T500-E543 VanDerWaalsContact CB-O 3.3Å; T500-E543 WeakPolarHBondContact CB-O 3.33Å; T500-E543 HydrophobicContact CG2-CG 4.46Å; T500-E543 PolarHBondContact N-O 3.31Å; T500-T545 PolarHBondContact OG1-N 3.47Å
501	K	97.7	Very high	89.4	Confident	108 Å²	108	49.9 Å²	49.9	47%	0.47	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	160.4	179.3	57.2	179.8	169.4	179.5	0	111.7	L503 E543	K501-L503 HydrophobicContact CD-CD2 4.15Å; K501-L503 HydrophobicContact CG-CD2 4.22Å; K501-E543 WeakPolarHBondContact CE-OE2 3.39Å; K501-E543 HydrophobicContact CG-CB 4.01Å; K501-E543 PolarHBondContact N-O 3.27Å; K501-E543 IonicContact NZ-OE2 2.74Å; K501-E543 PolarHBondContact NZ-OE2 2.87Å; K501-E543 PolarHBondContact O-N 3.36Å
502	V	97.9	Very high	86.8	Confident	27 Å²	27	48.4 Å²	48.4	16%	0.164	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	122	167.4	-170.6	0	0	0	0	108.3	A466 A471 A475	A466-V502 HydrophobicContact CB-CB 4.11Å; A466-V502 HydrophobicContact CB-CG1 3.88Å; A471-V502 HydrophobicContact CB-CG1 4.47Å; A475-V502 HydrophobicContact CB-CG2 3.53Å
503	L	96	Very high	83.8	Confident	59 Å²	59	54.2 Å²	54.2	31%	0.309	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	-43	179.1	-65	176	0	0	0	111.3	K501 T541 E543 H550	K501-L503 HydrophobicContact CD-CD2 4.15Å; K501-L503 HydrophobicContact CG-CD2 4.22Å; L503-T541 WeakPolarHBondContact CA-O 3.29Å; L503-T541 HydrophobicContact CB-CG2 4.12Å; L503-T541 WeakPolarHBondContact CB-O 3.44Å; L503-T541 HydrophobicContact CD1-CG2 4.01Å; L503-T541 PolarHBondContact N-O 2.71Å; L503-E543 HydrophobicContact CD1-CB 4.23Å; L503-E543 HydrophobicContact CD2-CB 4.37Å; L503-E543 HydrophobicContact CG-CB 4.25Å; L503-H550 HydrophobicContact CD1-CB 4.32Å
504	S	94.9	Very high	81	Confident	20 Å²	20	51.7 Å²	51.7	14%	0.14	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	157.5	176.9	61.8	0	0	0	0	111.1	T541	S504-T541 PolarHBondContact N-O 3.33Å; S504-T541 PolarHBondContact O-N 3.35Å; S504-T541 VanDerWaalsContact OG-CB 3.28Å; S504-T541 WeakPolarHBondContact OG-CB 3.23Å; S504-T541 PolarHBondContact OG-OG1 3.07Å
505	A	93.9	Very high	77.7	Confident	3 Å²	3	61.2 Å²	61.2	3%	0.025	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	142.6	175	0	0	0	0	0	110.1	I464 A471 L539 V540	I464-A505 HydrophobicContact CB-CB 4.03Å; I464-A505 HydrophobicContact CG2-CB 4.47Å; I464-A505 PolarHBondContact N-O 3.42Å; A471-A505 HydrophobicContact CB-CB 3.87Å; A505-L539 CarbonylContact C-O 3.59Å; A505-L539 VanDerWaalsContact CA-O 3.26Å; A505-L539 WeakPolarHBondContact CA-O 3.46Å; A505-V540 HydrophobicContact CB-CG1 4.29Å
506	Y	90.9	Very high	74.7	Confident	27 Å²	27	64.9 Å²	64.9	11%	0.106	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	147.8	177.9	-52.4	-94.8	0	0	0	110.7	V357 Q461 V462 T463 Y538 L539	V357-Y506 HydrophobicContact CG2-CD1 4.42Å; V357-Y506 HydrophobicContact CG2-CE1 3.54Å; Q461-Y506 HydrophobicContact CB-CD1 4.3Å; V462-Y506 CarbonylContact O-C 3.45Å; V462-Y506 WeakPolarHBondContact O-CA 3.47Å; V462-Y506 WeakPolarHBondContact O-CB 2.96Å; T463-Y506 HydrophobicContact CG2-CE1 4.37Å; Y506-Y538 CarbonylContact O-C 3.48Å; Y506-Y538 VanDerWaalsContact O-CA 3.25Å; Y506-Y538 WeakPolarHBondContact O-CA 3.35Å; Y506-L539 HydrophobicContact CD2-CB 4.17Å; Y506-L539 HydrophobicContact CD2-CD2 3.83Å; Y506-L539 HydrophobicContact CD2-CG 4.32Å; Y506-L539 HydrophobicContact CE2-CD2 4.4Å; Y506-L539 PolarHBondContact N-O 3.12Å; Y506-L539 PolarHBondContact O-N 2.72Å
507	A	85.4	Confident	71.5	Confident	12 Å²	12	66.1 Å²	66.1	10%	0.099	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	136.1	160.1	0	0	0	0	0	108.8	V462 I464 Y538	V462-A507 PolarHBondContact N-O 3.31Å; V462-A507 PolarHBondContact O-N 3.03Å; I464-A507 HydrophobicContact CD1-CB 3.94Å; I464-A507 HydrophobicContact CG1-CB 4.35Å; A507-Y538 HydrophobicContact CB-CD1 4.36Å; A507-Y538 HydrophobicContact CB-CE1 4.34Å
508	F	79	Confident	68.7	Low	36 Å²	36	73.3 Å²	73.3	16%	0.158	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	117.4	164.8	-72.6	-69.5	0	0	0	109.3	Q461 D537 L539 V554	Q461-F508 HydrophobicContact CG-CD1 3.7Å; Q461-F508 HydrophobicContact CG-CE1 3.42Å; Q461-F508 VanDerWaalsContact CG-CE1 3.42Å; Q461-F508 HydrophobicContact CG-CZ 4.38Å; F508-D537 HydrophobicContact CB-CB 4.1Å; F508-D537 HydrophobicContact CD2-CB 4.15Å; F508-D537 PolarHBondContact N-O 2.87Å; F508-L539 HydrophobicContact CD2-CB 4.34Å; F508-L539 HydrophobicContact CE2-CB 3.51Å; F508-L539 HydrophobicContact CE2-CD1 4.05Å; F508-L539 HydrophobicContact CE2-CG 4.26Å; F508-L539 HydrophobicContact CZ-CB 3.75Å; F508-L539 HydrophobicContact CZ-CD1 3.99Å; F508-L539 HydrophobicContact CZ-CD2 4.04Å; F508-L539 HydrophobicContact CZ-CG 4.15Å; F508-V554 HydrophobicContact CD2-CG1 4.14Å; F508-V554 HydrophobicContact CE2-CB 4.44Å; F508-V554 HydrophobicContact CE2-CG1 3.91Å; F508-V554 HydrophobicContact CE2-CG2 3.8Å; F508-V554 HydrophobicContact CZ-CG2 4.34Å
509	L	66.7	Low	65.5	Low	23 Å²	23	74.2 Å²	74.2	12%	0.12	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	124.5	164.4	-61.2	-178.9	0	0	0	107.8	F45 G459 Q460 V462	F45-L509 HydrophobicContact CB-CD2 3.84Å; F45-L509 HydrophobicContact CD2-CD2 4.35Å; F45-L509 HydrophobicContact CG-CD2 4.05Å; G459-L509 WeakPolarHBondContact CA-O 3.45Å; Q460-L509 HydrophobicContact CB-CB 4.37Å; Q460-L509 PolarHBondContact N-O 3.39Å; Q460-L509 PolarHBondContact O-N 3.05Å; V462-L509 HydrophobicContact CG2-CD1 3.54Å; V462-L509 HydrophobicContact CG2-CG 3.98Å
510	P	61.9	Low	62.1	Low	17 Å²	17	77.3 Å²	77.3	11%	0.11	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-51.8	152.3	163	-23.9	37.3	0	0	0	109.2	V47 Y52 I512	V47-P510 HydrophobicContact CB-CG 4Å; V47-P510 HydrophobicContact CG1-CB 4.31Å; V47-P510 HydrophobicContact CG1-CG 3.79Å; V47-P510 HydrophobicContact CG2-CG 4.21Å; Y52-P510 HydrophobicContact CD1-CB 3.48Å; Y52-P510 VanDerWaalsContact CD1-CB 3.48Å; Y52-P510 HydrophobicContact CD1-CG 3.58Å; Y52-P510 HydrophobicContact CD2-CB 4.38Å; Y52-P510 HydrophobicContact CD2-CG 4.22Å; Y52-P510 HydrophobicContact CE1-CB 3.66Å; Y52-P510 HydrophobicContact CE1-CG 3.17Å; Y52-P510 HydrophobicContact CE2-CG 3.9Å; Y52-P510 HydrophobicContact CG-CB 3.86Å; Y52-P510 HydrophobicContact CG-CG 4.07Å; P510-I512 HydrophobicContact CB-CD1 4.41Å; P510-I512 HydrophobicContact CB-CG1 4.49Å; P510-I512 PolarHBondContact O-N 3.28Å
511	G	47.9	Very low	58.7	Low	33 Å²	33	79.5 Å²	79.5	34%	0.34	40%	0.397	S	S	.	.	S	Bend	trans	-63.3	45.2	-176.6	0	0	0	0	0	116.2	S53	S53-G511 WeakPolarHBondContact CB-O 3.11Å
512	I	38.4	Very low	55.4	Low	48 Å²	48	79.2 Å²	79.2	25%	0.246	40%	0.404	C	S	.	.			trans	-75.2	129.8	172.5	-64.7	164.6	0	0	0	107.7	V47 L51 P510 V514	V47-I512 HydrophobicContact CB-CD1 4.25Å; V47-I512 HydrophobicContact CG1-CD1 3.27Å; V47-I512 HydrophobicContact CG2-CD1 3.93Å; L51-I512 HydrophobicContact CB-CD1 3.72Å; L51-I512 HydrophobicContact CB-CG1 4.29Å; L51-I512 WeakPolarHBondContact O-CD1 3.47Å; L51-I512 WeakPolarHBondContact O-CG1 3.41Å; P510-I512 HydrophobicContact CB-CD1 4.41Å; P510-I512 HydrophobicContact CB-CG1 4.49Å; P510-I512 PolarHBondContact O-N 3.28Å; I512-V514 HydrophobicContact CG2-CG2 4.48Å; I512-V514 PolarHBondContact O-N 3.01Å
513	K	31.6	Very low	52	Low	181 Å²	181	87.1 Å²	87.1	79%	0.787	44%	0.439	S	S	*	.			trans	-62.5	92.7	156.1	-76.1	-175	175.6	-176.6	0	107.1	R515	K513-R515 PolarHBondContact O-N 2.87Å
514	V	33.7	Very low	48.9	Very low	64 Å²	64	87.9 Å²	87.9	39%	0.388	45%	0.449	S	S	.	.			trans	-63.5	105.9	167.1	-177.3	0	0	0	0	105.3	I512 S516 F518	I512-V514 HydrophobicContact CG2-CG2 4.48Å; I512-V514 PolarHBondContact O-N 3.01Å; V514-S516 PolarHBondContact O-N 2.68Å; V514-F518 HydrophobicContact CG1-CB 3.96Å
515	R	28.3	Very low	45.9	Very low	214 Å²	214	92.8 Å²	92.8	81%	0.808	48%	0.483	S	S	*	.			trans	-54.3	130.8	167.7	-82.8	-177.2	165.6	178.1	-3.8	106.2	K513 N517 F518	K513-R515 PolarHBondContact O-N 2.87Å; R515-N517 PolarHBondContact O-N 2.89Å; R515-F518 WeakPolarHBondContact O-CB 3.24Å; R515-F518 PolarHBondContact O-N 3.22Å
516	S	33.1	Very low	42.9	Very low	91 Å²	91	96.5 Å²	96.5	64%	0.636	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-48.2	-24.3	177.7	51.7	0	0	0	0	113.4	V514	V514-S516 PolarHBondContact O-N 2.68Å
517	N	31.5	Very low	40.1	Very low	124 Å²	124	100.9 Å²	100.9	66%	0.663	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-91.7	4.8	-177	-54.3	9.9	0	0	0	113.4	R515 W519	R515-N517 PolarHBondContact O-N 2.89Å; N517-W519 PolarHBondContact O-N 3.22Å
518	F	37.9	Very low	37.8	Very low	155 Å²	155	106.5 Å²	106.5	68%	0.68	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-72.5	-9.2	166.5	-163.3	-99.7	0	0	0	112.2	V514 R515 I520	V514-F518 HydrophobicContact CG1-CB 3.96Å; R515-F518 WeakPolarHBondContact O-CB 3.24Å; R515-F518 PolarHBondContact O-N 3.22Å; F518-I520 PolarHBondContact O-N 2.85Å
519	W	32	Very low	35.7	Very low	200 Å²	200	110 Å²	110	76%	0.758	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-83.5	7.5	-177.4	-66.7	65.1	0	0	0	113.6	N517 P521	N517-W519 PolarHBondContact O-N 3.22Å; W519-P521 WeakPolarHBondContact O-CD 3.25Å
520	I	26.8	Very low	34.5	Very low	112 Å²	112	113.4 Å²	113.4	57%	0.574	62%	0.618	S	S	*	*	S	Bend	trans	-101.5	111.8	172	-53.1	176.3	0	0	0	106.9	F518 T522	F518-I520 PolarHBondContact O-N 2.85Å; I520-T522 HydrophobicContact CB-CG2 4.45Å; I520-T522 HydrophobicContact CG2-CG2 3.91Å; I520-T522 PolarHBondContact O-N 2.86Å
521	P	27.3	Very low	33.4	Very low	116 Å²	116	114.6 Å²	114.6	75%	0.753	63%	0.627	S	S	*	*			trans	-66.6	82.4	166.4	27.8	-30.1	0	0	0	107.1	W519 H523	W519-P521 WeakPolarHBondContact O-CD 3.25Å; P521-H523 PolarHBondContact O-N 2.64Å; P521-H523 VanDerWaalsContact O-N 3.12Å
522	T	27.4	Very low	33.3	Very low	101 Å²	101	118.9 Å²	118.9	62%	0.62	65%	0.647	S	S	*	*			trans	-67.3	114.6	166.4	51.2	0	0	0	0	105.4	I520 S524	I520-T522 HydrophobicContact CB-CG2 4.45Å; I520-T522 HydrophobicContact CG2-CG2 3.91Å; I520-T522 PolarHBondContact O-N 2.86Å; T522-S524 PolarHBondContact O-N 2.83Å
523	H	28.3	Very low	33.9	Very low	193 Å²	193	120.2 Å²	120.2	89%	0.894	66%	0.657	S	S	*	*			trans	-60.3	40.5	167.4	-90.2	-77.5	0	0	0	112	P521 S525	P521-H523 PolarHBondContact O-N 2.64Å; P521-H523 VanDerWaalsContact O-N 3.12Å; H523-S525 PolarHBondContact O-N 3.39Å
524	S	29.4	Very low	35.4	Very low	76 Å²	76	111.8 Å²	111.8	53%	0.531	62%	0.621	S	S	.	*			trans	-83.9	98.7	167.4	78.1	0	0	0	0	107.5	T522 S526	T522-S524 PolarHBondContact O-N 2.83Å; S524-S526 PolarHBondContact O-N 3.3Å
525	S	32.4	Very low	37.3	Very low	122 Å²	122	110.8 Å²	110.8	85%	0.853	61%	0.61	S	S	*	*			trans	-58.3	49.1	167.3	38.6	0	0	0	0	112.9	H523 S527	H523-S525 PolarHBondContact O-N 3.39Å; S525-S527 PolarHBondContact O-N 3.11Å
526	S	31.4	Very low	39.8	Very low	81 Å²	81	100.9 Å²	100.9	57%	0.566	57%	0.574	S	S	*	*			trans	-81.1	103	156.6	61.9	0	0	0	0	106.3	S524 L528	S524-S526 PolarHBondContact O-N 3.3Å; S526-L528 PolarHBondContact O-N 3.3Å
527	S	32.1	Very low	42.4	Very low	119 Å²	119	97.3 Å²	97.3	83%	0.832	55%	0.548	S	S	*	.			trans	-61.4	76.6	164.1	62.5	0	0	0	0	107.8	S525 S529	S525-S527 PolarHBondContact O-N 3.11Å; S527-S529 PolarHBondContact O-N 2.9Å
528	L	36.8	Very low	45.1	Very low	131 Å²	131	91.9 Å²	91.9	69%	0.686	52%	0.519	S	S	*	.			trans	-60.8	102.2	159.1	-131.5	81.6	0	0	0	103.3	S526 L530	S526-L528 PolarHBondContact O-N 3.3Å; L528-L530 VanDerWaalsContact C-N 3.27Å; L528-L530 PolarHBondContact O-N 2.82Å
529	S	36	Very low	47.7	Very low	108 Å²	108	84.6 Å²	84.6	76%	0.755	49%	0.486	S	S	*	.			trans	-44.1	103.1	161.9	167.6	0	0	0	0	105.6	S527 S531	S527-S529 PolarHBondContact O-N 2.9Å; S529-S531 VanDerWaalsContact C-N 3.31Å; S529-S531 PolarHBondContact O-N 3.47Å
530	L	40.5	Very low	50.8	Low	95 Å²	95	75.1 Å²	75.1	50%	0.497	45%	0.451	S	S	.	.			trans	-60.7	107	174.1	-101.6	96.6	0	0	0	103.9	Y46 L528 P559	Y46-L530 HydrophobicContact CD1-CD2 4.2Å; Y46-L530 HydrophobicContact CD2-CD2 3.66Å; Y46-L530 HydrophobicContact CE2-CD2 4.26Å; Y46-L530 HydrophobicContact CG-CD2 3.6Å; L528-L530 VanDerWaalsContact C-N 3.27Å; L528-L530 PolarHBondContact O-N 2.82Å; L530-P559 HydrophobicContact CD2-CB 3.7Å; L530-P559 HydrophobicContact CD2-CG 3.64Å
531	S	39.5	Very low	54.1	Low	43 Å²	43	70 Å²	70	30%	0.301	43%	0.425	S	S	.	.			trans	-52.2	149.3	-179	80	0	0	0	0	109.2	S529 T533 T534	S529-S531 VanDerWaalsContact C-N 3.31Å; S529-S531 PolarHBondContact O-N 3.47Å; S531-T533 PolarHBondContact O-N 2.83Å; S531-T533 PolarHBondContact OG-N 3.07Å; S531-T533 PolarHBondContact OG-OG1 3.07Å; S531-T534 PolarHBondContact O-N 3.21Å; S531-T534 PolarHBondContact O-OG1 2.8Å; S531-T534 VanDerWaalsContact O-OG1 3.1Å; S531-T534 PolarHBondContact OG-N 3.35Å; S531-T534 PolarHBondContact OG-OG1 3.23Å; S531-T534 VanDerWaalsContact OG-OG1 3.05Å
532	T	45	Very low	57.5	Low	123 Å²	123	64.5 Å²	64.5	76%	0.755	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-9.1	170.6	49.3	0	0	0	0	113.7
533	T	50.1	Low	60.9	Low	75 Å²	75	61.5 Å²	61.5	46%	0.46	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-6.1	-177.5	71.2	0	0	0	0	114.2	P49 S531 Y535	P49-T533 WeakPolarHBondContact CD-O 3.23Å; P49-T533 WeakPolarHBondContact CD-OG1 3.49Å; P49-T533 WeakPolarHBondContact CG-O 3.44Å; P49-T533 WeakPolarHBondContact CG-OG1 3.26Å; S531-T533 PolarHBondContact O-N 2.83Å; S531-T533 PolarHBondContact OG-N 3.07Å; S531-T533 PolarHBondContact OG-OG1 3.07Å; T533-Y535 VanDerWaalsContact O-CD1 3.29Å; T533-Y535 WeakPolarHBondContact O-CD1 3.37Å
534	T	64.6	Low	64.2	Low	5 Å²	5	52.4 Å²	52.4	3%	0.031	33%	0.326	C	S	.	.			trans	-76.9	133.8	178.4	-36.3	0	0	0	0	109.3	Y46 S531 P559	Y46-T534 HydrophobicContact CD1-CG2 4.49Å; Y46-T534 HydrophobicContact CG-CG2 4.43Å; S531-T534 PolarHBondContact O-N 3.21Å; S531-T534 PolarHBondContact O-OG1 2.8Å; S531-T534 VanDerWaalsContact O-OG1 3.1Å; S531-T534 PolarHBondContact OG-N 3.35Å; S531-T534 PolarHBondContact OG-OG1 3.23Å; S531-T534 VanDerWaalsContact OG-OG1 3.05Å; T534-P559 WeakPolarHBondContact O-CD 3.27Å; T534-P559 WeakPolarHBondContact O-CG 3.15Å
535	Y	72.4	Confident	67.5	Low	42 Å²	42	51.8 Å²	51.8	17%	0.165	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-144.4	161.9	176	57.3	-95.5	0	0	0	110.3	P49 Y52 T533 D537 R556 Q557	P49-Y535 HydrophobicContact CG-CE1 4.5Å; Y52-Y535 HydrophobicContact CE1-CE2 4.39Å; Y52-Y535 AromaticContact CZ-CE2 3.73Å; Y52-Y535 AromaticContact CZ-CZ 3.64Å; Y52-Y535 WeakPolarHBondContact OH-CE2 3.29Å; Y52-Y535 PolarHBondContact OH-OH 2.89Å; T533-Y535 VanDerWaalsContact O-CD1 3.29Å; T533-Y535 WeakPolarHBondContact O-CD1 3.37Å; Y535-D537 WeakPolarHBondContact CD2-OD1 3.34Å; Y535-D537 WeakPolarHBondContact CE2-OD2 3.43Å; Y535-R556 HydrophobicContact CD2-CG 4.03Å; Y535-R556 HydrophobicContact CG-CG 4.04Å; Y535-Q557 WeakPolarHBondContact CA-O 3.04Å; Y535-Q557 WeakPolarHBondContact CB-O 3.39Å
536	A	81.2	Confident	70.5	Confident	6 Å²	6	47.9 Å²	47.9	5%	0.05	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	132.3	172	0	0	0	0	0	109	Y46 Y538 Q557	Y46-A536 HydrophobicContact CD1-CB 4.38Å; Y46-A536 HydrophobicContact CE1-CB 4.38Å; A536-Y538 HydrophobicContact CB-CE2 3.73Å; A536-Y538 WeakPolarHBondContact CB-OH 2.86Å; A536-Q557 PolarHBondContact N-O 3.4Å; A536-Q557 PolarHBondContact O-N 3.35Å
537	D	87.5	Confident	73.5	Confident	17 Å²	17	45.3 Å²	45.3	9%	0.091	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	137.6	178.4	-68.8	-18.4	0	0	0	110.6	F508 Y535 V554 L555 R556	F508-D537 HydrophobicContact CB-CB 4.1Å; F508-D537 HydrophobicContact CD2-CB 4.15Å; F508-D537 PolarHBondContact N-O 2.87Å; Y535-D537 WeakPolarHBondContact CD2-OD1 3.34Å; Y535-D537 WeakPolarHBondContact CE2-OD2 3.43Å; D537-V554 HydrophobicContact CB-CG1 4.36Å; D537-L555 CarbonylContact C-O 3.56Å; D537-L555 VanDerWaalsContact CA-O 3.24Å; D537-L555 WeakPolarHBondContact CA-O 3.03Å; D537-R556 WeakPolarHBondContact OD1-CA 3.4Å; D537-R556 VanDerWaalsContact OD1-CB 3.29Å; D537-R556 WeakPolarHBondContact OD1-CB 3.33Å; D537-R556 WeakPolarHBondContact OD1-CG 3.48Å; D537-R556 IonicContact OD1-CZ 3.78Å; D537-R556 IonicContact OD1-NE 2.73Å; D537-R556 PolarHBondContact OD1-NE 2.88Å; D537-R556 IonicContact OD1-NH2 3.54Å; D537-R556 PolarHBondContact OD1-NH2 3.24Å; D537-R556 IonicContact OD2-CZ 2.81Å; D537-R556 IonicContact OD2-NE 2.83Å; D537-R556 IonicContact OD2-NH2 3.82Å; D537-R556 PolarHBondContact OD2-NH2 2.88Å
538	Y	89.6	Confident	76.5	Confident	10 Å²	10	40.8 Å²	40.8	4%	0.039	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	135.3	-177.2	-57.9	-79.5	0	0	0	110.1	I464 L470 Y506 A507 A536 V554 L555 Q557	I464-Y538 HydrophobicContact CD1-CD1 3.6Å; I464-Y538 HydrophobicContact CD1-CE1 3.9Å; L470-Y538 HydrophobicContact CD1-CE2 4.48Å; L470-Y538 HydrophobicContact CD2-CD1 4.08Å; L470-Y538 HydrophobicContact CD2-CE1 3.5Å; L470-Y538 HydrophobicContact CD2-CE2 4.33Å; Y506-Y538 CarbonylContact O-C 3.48Å; Y506-Y538 VanDerWaalsContact O-CA 3.25Å; Y506-Y538 WeakPolarHBondContact O-CA 3.35Å; A507-Y538 HydrophobicContact CB-CD1 4.36Å; A507-Y538 HydrophobicContact CB-CE1 4.34Å; A536-Y538 HydrophobicContact CB-CE2 3.73Å; A536-Y538 WeakPolarHBondContact CB-OH 2.86Å; Y538-V554 CarbonylContact O-C 3.49Å; Y538-V554 VanDerWaalsContact O-CA 3.3Å; Y538-V554 WeakPolarHBondContact O-CA 3.5Å; Y538-L555 PolarHBondContact N-O 2.64Å; Y538-L555 PolarHBondContact O-N 3.15Å; Y538-Q557 HydrophobicContact CD2-CB 4.36Å; Y538-Q557 HydrophobicContact CE2-CB 3.77Å; Y538-Q557 VanDerWaalsContact CE2-OE1 3.28Å; Y538-Q557 PolarHBondContact OH-OE1 3.46Å
539	L	92.2	Very high	79.4	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	128.3	165.8	-170.2	66.3	0	0	0	108.4	R360 A505 Y506 F508 E552 A553 V554	R360-L539 VanDerWaalsContact CD-CD2 3.48Å; A505-L539 CarbonylContact C-O 3.59Å; A505-L539 VanDerWaalsContact CA-O 3.26Å; A505-L539 WeakPolarHBondContact CA-O 3.46Å; Y506-L539 HydrophobicContact CD2-CB 4.17Å; Y506-L539 HydrophobicContact CD2-CD2 3.83Å; Y506-L539 HydrophobicContact CD2-CG 4.32Å; Y506-L539 HydrophobicContact CE2-CD2 4.4Å; Y506-L539 PolarHBondContact N-O 3.12Å; Y506-L539 PolarHBondContact O-N 2.72Å; F508-L539 HydrophobicContact CD2-CB 4.34Å; F508-L539 HydrophobicContact CE2-CB 3.51Å; F508-L539 HydrophobicContact CE2-CD1 4.05Å; F508-L539 HydrophobicContact CE2-CG 4.26Å; F508-L539 HydrophobicContact CZ-CB 3.75Å; F508-L539 HydrophobicContact CZ-CD1 3.99Å; F508-L539 HydrophobicContact CZ-CD2 4.04Å; F508-L539 HydrophobicContact CZ-CG 4.15Å; L539-E552 HydrophobicContact CD1-CG 3.6Å; L539-E552 HydrophobicContact CG-CG 4.2Å; L539-A553 WeakPolarHBondContact CA-O 3.43Å; L539-V554 HydrophobicContact CD1-CG2 3.87Å
540	V	95.5	Very high	82.4	Confident	2 Å²	2	31.2 Å²	31.2	1%	0.012	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	137.6	166.8	-60.1	0	0	0	0	110.1	V478 A505 I542 E552 A553 L555	V478-V540 HydrophobicContact CG2-CG2 3.83Å; A505-V540 HydrophobicContact CB-CG1 4.29Å; V540-I542 HydrophobicContact CG2-CG2 4.33Å; V540-E552 WeakPolarHBondContact O-CA 3.08Å; V540-A553 HydrophobicContact CG2-CB 4.49Å; V540-A553 PolarHBondContact N-O 3.48Å; V540-A553 PolarHBondContact O-N 3.24Å; V540-L555 HydrophobicContact CB-CD1 4.41Å; V540-L555 HydrophobicContact CG1-CD1 4.28Å; V540-L555 HydrophobicContact CG2-CD1 3.41Å; V540-L555 VanDerWaalsContact CG2-CD1 3.41Å
541	T	97	Very high	85.1	Confident	4 Å²	4	26.8 Å²	26.8	3%	0.025	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	127.2	167	-52.2	0	0	0	0	108.1	L503 S504 F551 I573	L503-T541 WeakPolarHBondContact CA-O 3.29Å; L503-T541 HydrophobicContact CB-CG2 4.12Å; L503-T541 WeakPolarHBondContact CB-O 3.44Å; L503-T541 HydrophobicContact CD1-CG2 4.01Å; L503-T541 PolarHBondContact N-O 2.71Å; S504-T541 PolarHBondContact N-O 3.33Å; S504-T541 PolarHBondContact O-N 3.35Å; S504-T541 VanDerWaalsContact OG-CB 3.28Å; S504-T541 WeakPolarHBondContact OG-CB 3.23Å; S504-T541 PolarHBondContact OG-OG1 3.07Å; T541-F551 CarbonylContact C-O 3.46Å; T541-F551 VanDerWaalsContact CA-O 3.29Å; T541-F551 WeakPolarHBondContact CA-O 3.34Å; T541-I573 HydrophobicContact CG2-CD1 3.58Å
542	I	98.2	Very high	87.8	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	155.9	-176.1	65.4	165.1	0	0	0	110.9	A475 V478 V479 L499 V540 H550 F551	A475-I542 HydrophobicContact CB-CG2 3.41Å; A475-I542 VanDerWaalsContact CB-CG2 3.41Å; V478-I542 HydrophobicContact CB-CD1 4.07Å; V478-I542 HydrophobicContact CG1-CD1 3.7Å; V478-I542 HydrophobicContact CG1-CG1 4.41Å; V479-I542 HydrophobicContact CG2-CD1 3.47Å; V479-I542 VanDerWaalsContact CG2-CD1 3.47Å; L499-I542 HydrophobicContact CD1-CB 3.81Å; L499-I542 HydrophobicContact CD1-CD1 4.09Å; L499-I542 HydrophobicContact CD1-CG2 4.03Å; V540-I542 HydrophobicContact CG2-CG2 4.33Å; I542-H550 CarbonylContact O-C 3.5Å; I542-H550 VanDerWaalsContact O-CA 3.28Å; I542-H550 WeakPolarHBondContact O-CA 3.32Å; I542-F551 HydrophobicContact CD1-CB 4.38Å; I542-F551 HydrophobicContact CD1-CD2 4.48Å; I542-F551 HydrophobicContact CG1-CB 3.86Å; I542-F551 HydrophobicContact CG1-CD2 4.46Å; I542-F551 PolarHBondContact N-O 3.26Å; I542-F551 PolarHBondContact O-N 2.88Å
543	E	98.5	Very high	90.2	Very high	39 Å²	39	19.6 Å²	19.6	18%	0.182	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	133.2	162.8	-176.2	-178.4	143	0	0	108.8	T500 K501 L503 G549 H550	T500-E543 WeakPolarHBondContact CA-O 3.18Å; T500-E543 VanDerWaalsContact CB-O 3.3Å; T500-E543 WeakPolarHBondContact CB-O 3.33Å; T500-E543 HydrophobicContact CG2-CG 4.46Å; T500-E543 PolarHBondContact N-O 3.31Å; K501-E543 WeakPolarHBondContact CE-OE2 3.39Å; K501-E543 HydrophobicContact CG-CB 4.01Å; K501-E543 PolarHBondContact N-O 3.27Å; K501-E543 IonicContact NZ-OE2 2.74Å; K501-E543 PolarHBondContact NZ-OE2 2.87Å; K501-E543 PolarHBondContact O-N 3.36Å; L503-E543 HydrophobicContact CD1-CB 4.23Å; L503-E543 HydrophobicContact CD2-CB 4.37Å; L503-E543 HydrophobicContact CG-CB 4.25Å; E543-G549 CarbonylContact C-O 3.55Å; E543-G549 WeakPolarHBondContact CA-O 2.86Å; E543-H550 IonicContact OE2-NE2 2.79Å
544	A	98.5	Very high	92.3	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.008	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	152.5	176.2	0	0	0	0	0	112.6	V479 R498 G548 G549 F551	V479-A544 HydrophobicContact CG2-CB 4.46Å; R498-A544 CarbonylContact O-C 3.53Å; R498-A544 WeakPolarHBondContact O-CA 3.41Å; R498-A544 WeakPolarHBondContact O-CB 3.38Å; A544-G548 CarbonylContact O-C 3.58Å; A544-G548 VanDerWaalsContact O-CA 3.29Å; A544-G548 WeakPolarHBondContact O-CA 3.39Å; A544-G548 PolarHBondContact O-N 3.29Å; A544-G549 PolarHBondContact N-O 2.86Å; A544-G549 PolarHBondContact O-N 3.02Å; A544-F551 HydrophobicContact CB-CD2 4Å; A544-F551 HydrophobicContact CB-CE2 3.85Å
545	T	98.1	Very high	93.6	Very high	64 Å²	64	16 Å²	16	39%	0.393	10%	0.098	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	147.6	-179.5	-172.9	0	0	0	0	110.6	L497 R498 T500	L497-T545 CarbonylContact C-O 3.5Å; L497-T545 WeakPolarHBondContact CA-O 3.42Å; R498-T545 HydrophobicContact CB-CG2 3.91Å; R498-T545 PolarHBondContact N-O 2.84Å; R498-T545 PolarHBondContact O-N 3.03Å; T500-T545 PolarHBondContact OG1-N 3.47Å
546	P	96.2	Very high	94.5	Very high	39 Å²	39	16.1 Å²	16.1	25%	0.253	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	cis	-71.8	168.6	-2	31.5	-36.2	0	0	0	113.7	A495 G548 Y593	A495-P546 HydrophobicContact CB-CG 3.6Å; P546-G548 PolarHBondContact O-N 3.07Å; P546-Y593 HydrophobicContact CB-CD1 3.78Å; P546-Y593 HydrophobicContact CB-CD2 4.33Å; P546-Y593 HydrophobicContact CB-CE1 3.79Å; P546-Y593 HydrophobicContact CB-CE2 4.35Å; P546-Y593 HydrophobicContact CB-CG 4.05Å; P546-Y593 HydrophobicContact CG-CD1 3.43Å; P546-Y593 VanDerWaalsContact CG-CD1 3.43Å; P546-Y593 HydrophobicContact CG-CE1 3.9Å; P546-Y593 HydrophobicContact CG-CG 3.78Å
547	G	93.8	Very high	94.7	Very high	27 Å²	27	16 Å²	16	28%	0.278	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.6	-11.3	173.7	0	0	0	0	0	116.2	G549 Q579 Y593	G547-G549 VanDerWaalsContact C-N 3.32Å; G547-G549 PolarHBondContact O-N 2.68Å; G547-Q579 PolarHBondContact O-NE2 3.24Å; G547-Q579 PolarHBondContact O-OE1 2.92Å; G547-Y593 VanDerWaalsContact CA-CD2 3.47Å
548	G	96.3	Very high	94.3	Very high	25 Å²	25	20.3 Å²	20.3	26%	0.258	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	38.2	179.3	0	0	0	0	0	112.1	A544 P546 H550 N574	A544-G548 CarbonylContact O-C 3.58Å; A544-G548 VanDerWaalsContact O-CA 3.29Å; A544-G548 WeakPolarHBondContact O-CA 3.39Å; A544-G548 PolarHBondContact O-N 3.29Å; P546-G548 PolarHBondContact O-N 3.07Å; G548-H550 PolarHBondContact O-CD2 2.84Å; G548-H550 PolarHBondContact O-N 2.89Å; G548-N574 PolarHBondContact O-ND2 2.88Å
549	G	97.2	Very high	93.2	Very high	2 Å²	2	21.6 Å²	21.6	2%	0.021	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	127.5	-176.9	0	0	0	0	0	111.2	E543 A544 G547	E543-G549 CarbonylContact C-O 3.55Å; E543-G549 WeakPolarHBondContact CA-O 2.86Å; A544-G549 PolarHBondContact N-O 2.86Å; A544-G549 PolarHBondContact O-N 3.02Å; G547-G549 VanDerWaalsContact C-N 3.32Å; G547-G549 PolarHBondContact O-N 2.68Å
550	H	97.8	Very high	91.9	Very high	35 Å²	35	25.5 Å²	25.5	16%	0.162	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	109.8	173.2	-64.9	-175.9	0	0	0	108.5	H355 L503 I542 E543 G548 R572 I573 N574	H355-H550 AromaticContact CE1-CE1 3.94Å; H355-H550 AromaticContact CE1-CG 3.87Å; H355-H550 AromaticContact CE1-ND1 3.03Å; H355-H550 PolarHBondContact CE1-ND1 3.05Å; H355-H550 AromaticContact NE2-CE1 3.86Å; H355-H550 AromaticContact NE2-ND1 3.14Å; H355-H550 PolarHBondContact NE2-ND1 2.95Å; H355-H550 VanDerWaalsContact NE2-ND1 3.14Å; L503-H550 HydrophobicContact CD1-CB 4.32Å; I542-H550 CarbonylContact O-C 3.5Å; I542-H550 VanDerWaalsContact O-CA 3.28Å; I542-H550 WeakPolarHBondContact O-CA 3.32Å; E543-H550 IonicContact OE2-NE2 2.79Å; G548-H550 PolarHBondContact O-CD2 2.84Å; G548-H550 PolarHBondContact O-N 2.89Å; H550-R572 WeakPolarHBondContact O-CA 3.14Å; H550-I573 HydrophobicContact CB-CD1 4.31Å; H550-I573 HydrophobicContact CB-CG1 3.65Å; H550-I573 PolarHBondContact O-N 2.79Å; H550-N574 HydrophobicContact CB-CB 4.1Å; H550-N574 PolarHBondContact N-OD1 3.1Å
551	F	97.5	Very high	90.9	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.009	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	130.2	-175.4	-57.7	-62.1	0	0	0	111	L482 L497 T541 I542 A544 I570 S571 R572 Y591	L482-F551 HydrophobicContact CD1-CB 4.44Å; L482-F551 HydrophobicContact CD1-CD1 4.33Å; L482-F551 HydrophobicContact CD1-CD2 3.75Å; L482-F551 HydrophobicContact CD1-CE2 4Å; L482-F551 HydrophobicContact CD1-CG 3.92Å; L482-F551 HydrophobicContact CD1-CZ 4.41Å; L497-F551 HydrophobicContact CD1-CE2 3.97Å; L497-F551 HydrophobicContact CD1-CZ 4.24Å; T541-F551 CarbonylContact C-O 3.46Å; T541-F551 VanDerWaalsContact CA-O 3.29Å; T541-F551 WeakPolarHBondContact CA-O 3.34Å; I542-F551 HydrophobicContact CD1-CB 4.38Å; I542-F551 HydrophobicContact CD1-CD2 4.48Å; I542-F551 HydrophobicContact CG1-CB 3.86Å; I542-F551 HydrophobicContact CG1-CD2 4.46Å; I542-F551 PolarHBondContact N-O 3.26Å; I542-F551 PolarHBondContact O-N 2.88Å; A544-F551 HydrophobicContact CB-CD2 4Å; A544-F551 HydrophobicContact CB-CE2 3.85Å; F551-I570 HydrophobicContact CB-CG2 3.93Å; F551-I570 HydrophobicContact CD1-CG2 4.46Å; F551-S571 CarbonylContact C-O 3.58Å; F551-S571 VanDerWaalsContact CA-O 3.27Å; F551-S571 WeakPolarHBondContact CA-O 3.11Å; F551-R572 HydrophobicContact CD1-CB 4.05Å; F551-R572 HydrophobicContact CD1-CG 4.27Å; F551-R572 HydrophobicContact CE1-CB 4.01Å; F551-R572 HydrophobicContact CE1-CG 4Å; F551-Y591 AromaticContact CD1-CD1 3.9Å; F551-Y591 HydrophobicContact CD1-CD1 3.9Å; F551-Y591 HydrophobicContact CD1-CE1 4.39Å; F551-Y591 AromaticContact CE1-CD1 3.62Å; F551-Y591 HydrophobicContact CE1-CD1 3.62Å; F551-Y591 HydrophobicContact CE1-CE1 4.49Å; F551-Y591 HydrophobicContact CE1-CG 4.48Å; F551-Y591 HydrophobicContact CZ-CD1 4.44Å
552	E	96.2	Very high	89.8	Confident	14 Å²	14	32.1 Å²	32.1	7%	0.065	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	127.4	175.9	-174.9	-172.4	110.3	0	0	108.3	R354 R360 L539 V540 I570 S571 I573	R354-E552 IonicContact CZ-OE2 3.87Å; R354-E552 IonicContact NH1-OE2 2.83Å; R354-E552 IonicContact NH2-OE1 3.72Å; R354-E552 IonicContact NH2-OE2 3.73Å; R354-E552 PolarHBondContact NH2-OE2 2.87Å; R354-E552 VanDerWaalsContact NH2-OE2 3.12Å; R360-E552 WeakPolarHBondContact CD-OE1 3.5Å; R360-E552 IonicContact CZ-OE1 4Å; R360-E552 IonicContact NE-OE1 3.36Å; R360-E552 PolarHBondContact NE-OE1 2.88Å; R360-E552 IonicContact NE-OE2 2.61Å; R360-E552 IonicContact NH2-OE1 3.68Å; L539-E552 HydrophobicContact CD1-CG 3.6Å; L539-E552 HydrophobicContact CG-CG 4.2Å; V540-E552 WeakPolarHBondContact O-CA 3.08Å; E552-I570 WeakPolarHBondContact O-CG2 3.41Å; E552-S571 PolarHBondContact N-O 2.8Å; E552-S571 PolarHBondContact O-N 2.72Å; E552-I573 HydrophobicContact CB-CG2 4.08Å
553	A	96.1	Very high	89.1	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.008	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	141.3	-177.2	0	0	0	0	0	111.5	V478 L539 V540 L555 I566 I570	V478-A553 HydrophobicContact CG1-CB 4.03Å; V478-A553 HydrophobicContact CG2-CB 3.56Å; L539-A553 WeakPolarHBondContact CA-O 3.43Å; V540-A553 HydrophobicContact CG2-CB 4.49Å; V540-A553 PolarHBondContact N-O 3.48Å; V540-A553 PolarHBondContact O-N 3.24Å; A553-L555 HydrophobicContact CB-CD1 4.35Å; A553-I566 HydrophobicContact CB-CD1 4.49Å; A553-I570 HydrophobicContact CB-CG1 3.92Å; A553-I570 HydrophobicContact CB-CG2 4.33Å
554	V	93.8	Very high	88.7	Confident	6 Å²	6	36.4 Å²	36.4	4%	0.036	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	127.9	167.2	-174.1	0	0	0	0	108.6	E454 F508 D537 Y538 L539 V567	E454-V554 HydrophobicContact CB-CG2 3.9Å; F508-V554 HydrophobicContact CD2-CG1 4.14Å; F508-V554 HydrophobicContact CE2-CB 4.44Å; F508-V554 HydrophobicContact CE2-CG1 3.91Å; F508-V554 HydrophobicContact CE2-CG2 3.8Å; F508-V554 HydrophobicContact CZ-CG2 4.34Å; D537-V554 HydrophobicContact CB-CG1 4.36Å; Y538-V554 CarbonylContact O-C 3.49Å; Y538-V554 VanDerWaalsContact O-CA 3.3Å; Y538-V554 WeakPolarHBondContact O-CA 3.5Å; L539-V554 HydrophobicContact CD1-CG2 3.87Å; V554-V567 HydrophobicContact CB-CB 4.04Å; V554-V567 HydrophobicContact CG1-CB 3.88Å; V554-V567 HydrophobicContact CG1-CG1 4.42Å; V554-V567 HydrophobicContact CG1-CG2 4.19Å; V554-V567 PolarHBondContact O-N 2.71Å
555	L	93.1	Very high	88.4	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	141.4	175.7	-64.5	92.6	0	0	0	110.2	F477 V478 D537 Y538 V540 A553 L564 S565 I566	F477-L555 HydrophobicContact CB-CD2 4.21Å; F477-L555 HydrophobicContact CD1-CD2 3.75Å; F477-L555 HydrophobicContact CG-CD2 4.29Å; V478-L555 HydrophobicContact CG2-CD1 3.85Å; V478-L555 HydrophobicContact CG2-CD2 4.27Å; V478-L555 HydrophobicContact CG2-CG 4.34Å; D537-L555 CarbonylContact C-O 3.56Å; D537-L555 VanDerWaalsContact CA-O 3.24Å; D537-L555 WeakPolarHBondContact CA-O 3.03Å; Y538-L555 PolarHBondContact N-O 2.64Å; Y538-L555 PolarHBondContact O-N 3.15Å; V540-L555 HydrophobicContact CB-CD1 4.41Å; V540-L555 HydrophobicContact CG1-CD1 4.28Å; V540-L555 HydrophobicContact CG2-CD1 3.41Å; V540-L555 VanDerWaalsContact CG2-CD1 3.41Å; A553-L555 HydrophobicContact CB-CD1 4.35Å; L555-L564 HydrophobicContact CD2-CB 4.4Å; L555-L564 HydrophobicContact CD2-CD1 4.33Å; L555-L564 HydrophobicContact CD2-CD2 4.42Å; L555-S565 CarbonylContact C-O 3.15Å; L555-S565 WeakPolarHBondContact CA-O 3.15Å; L555-I566 HydrophobicContact CD2-CD1 4.35Å; L555-I566 HydrophobicContact CG-CD1 4.08Å
556	R	89.7	Confident	88.2	Confident	43 Å²	43	37 Å²	37	16%	0.162	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	125.4	171.8	176.9	161.5	-67.6	163.4	0.6	110.3	E453 Y535 D537 L564 S565 V567	E453-R556 IonicContact OE1-NH1 3.38Å; E453-R556 IonicContact OE1-NH2 2.71Å; E453-R556 IonicContact OE2-CZ 3.9Å; E453-R556 IonicContact OE2-NH1 3.21Å; E453-R556 PolarHBondContact OE2-NH1 2.77Å; E453-R556 IonicContact OE2-NH2 3.41Å; E453-R556 PolarHBondContact OE2-NH2 3.02Å; Y535-R556 HydrophobicContact CD2-CG 4.03Å; Y535-R556 HydrophobicContact CG-CG 4.04Å; D537-R556 WeakPolarHBondContact OD1-CA 3.4Å; D537-R556 VanDerWaalsContact OD1-CB 3.29Å; D537-R556 WeakPolarHBondContact OD1-CB 3.33Å; D537-R556 WeakPolarHBondContact OD1-CG 3.48Å; D537-R556 IonicContact OD1-CZ 3.78Å; D537-R556 IonicContact OD1-NE 2.73Å; D537-R556 PolarHBondContact OD1-NE 2.88Å; D537-R556 IonicContact OD1-NH2 3.54Å; D537-R556 PolarHBondContact OD1-NH2 3.24Å; D537-R556 IonicContact OD2-CZ 2.81Å; D537-R556 IonicContact OD2-NE 2.83Å; D537-R556 IonicContact OD2-NH2 3.82Å; D537-R556 PolarHBondContact OD2-NH2 2.88Å; R556-L564 WeakPolarHBondContact O-CA 3.35Å; R556-S565 PolarHBondContact N-O 3.33Å; R556-S565 PolarHBondContact O-N 2.71Å; R556-S565 PolarHBondContact O-OG 2.76Å; R556-V567 HydrophobicContact CB-CG2 3.52Å
557	Q	85.7	Confident	88	Confident	4 Å²	4	35.9 Å²	35.9	2%	0.019	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	127.8	172.7	-167.9	-177	9.8	0	0	109.7	Y535 A536 Y538 D562 Q563 L564	Y535-Q557 WeakPolarHBondContact CA-O 3.04Å; Y535-Q557 WeakPolarHBondContact CB-O 3.39Å; A536-Q557 PolarHBondContact N-O 3.4Å; A536-Q557 PolarHBondContact O-N 3.35Å; Y538-Q557 HydrophobicContact CD2-CB 4.36Å; Y538-Q557 HydrophobicContact CE2-CB 3.77Å; Y538-Q557 VanDerWaalsContact CE2-OE1 3.28Å; Y538-Q557 PolarHBondContact OH-OE1 3.46Å; Q557-D562 PolarHBondContact NE2-OD1 2.78Å; Q557-Q563 WeakPolarHBondContact CA-O 3.13Å; Q557-L564 HydrophobicContact CB-CD2 3.86Å; Q557-L564 HydrophobicContact CG-CD2 4.08Å
558	R	79.5	Confident	87.8	Confident	108 Å²	108	36.2 Å²	36.2	41%	0.408	21%	0.21	S	C	.	.			trans	-94.1	129.5	169.4	-67.8	-171.8	-57.8	-168.4	-2.9	110	A560 D561 D562 Q563	R558-A560 PolarHBondContact O-N 3.24Å; R558-D561 WeakPolarHBondContact CB-OD1 3.45Å; R558-D561 IonicContact CZ-OD2 3.61Å; R558-D561 IonicContact NE-OD1 3.76Å; R558-D561 IonicContact NE-OD2 3.22Å; R558-D561 IonicContact NH2-OD2 2.68Å; R558-D561 PolarHBondContact NH2-OD2 3.46Å; R558-D562 WeakPolarHBondContact O-CA 3.22Å; R558-D562 PolarHBondContact O-N 2.76Å; R558-Q563 PolarHBondContact N-O 2.77Å; R558-Q563 VanDerWaalsContact NH2-OE1 3.14Å
559	P	66.3	Low	87.5	Confident	36 Å²	36	37.8 Å²	37.8	23%	0.234	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-32.2	176.2	10	-13.9	0	0	0	113.1	Y46 L530 T534 D561	Y46-P559 HydrophobicContact CD1-CB 3.89Å; Y46-P559 HydrophobicContact CD1-CG 3.5Å; Y46-P559 HydrophobicContact CE1-CB 3.4Å; Y46-P559 HydrophobicContact CE1-CG 3.44Å; Y46-P559 VanDerWaalsContact CE1-CG 3.44Å; Y46-P559 HydrophobicContact CE2-CB 4.11Å; Y46-P559 HydrophobicContact CG-CB 4.44Å; Y46-P559 HydrophobicContact CG-CG 4.22Å; L530-P559 HydrophobicContact CD2-CB 3.7Å; L530-P559 HydrophobicContact CD2-CG 3.64Å; T534-P559 WeakPolarHBondContact O-CD 3.27Å; T534-P559 WeakPolarHBondContact O-CG 3.15Å; P559-D561 VanDerWaalsContact C-N 3.3Å; P559-D561 PolarHBondContact O-N 2.78Å
560	A	65.9	Low	87.4	Confident	84 Å²	84	37.8 Å²	37.8	69%	0.694	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-29.4	-171.4	0	0	0	0	0	113.6	R558	R558-A560 PolarHBondContact O-N 3.24Å
561	D	74.2	Confident	87.2	Confident	66 Å²	66	36.5 Å²	36.5	35%	0.353	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-138.1	2.5	-173.5	61.7	0.8	0	0	0	114.5	R558 P559 Q563	R558-D561 WeakPolarHBondContact CB-OD1 3.45Å; R558-D561 IonicContact CZ-OD2 3.61Å; R558-D561 IonicContact NE-OD1 3.76Å; R558-D561 IonicContact NE-OD2 3.22Å; R558-D561 IonicContact NH2-OD2 2.68Å; R558-D561 PolarHBondContact NH2-OD2 3.46Å; P559-D561 VanDerWaalsContact C-N 3.3Å; P559-D561 PolarHBondContact O-N 2.78Å; D561-Q563 HydrophobicContact CB-CG 4.08Å; D561-Q563 VanDerWaalsContact CG-CG 3.44Å; D561-Q563 PolarHBondContact O-N 2.75Å; D561-Q563 WeakPolarHBondContact OD1-CB 3.23Å; D561-Q563 PolarHBondContact OD1-N 3.42Å; D561-Q563 VanDerWaalsContact OD1-N 3.12Å; D561-Q563 WeakPolarHBondContact OD2-CG 3.16Å; D561-Q563 PolarHBondContact OD2-OE1 3.04Å
562	D	73.3	Confident	87.1	Confident	79 Å²	79	37 Å²	37	42%	0.422	21%	0.207	S	C	.	.			trans	53.9	23.9	-176	-169.6	32.5	0	0	0	113.4	K473 Q557 R558	K473-D562 PolarHBondContact NZ-O 3.41Å; K473-D562 IonicContact NZ-OD1 2.9Å; K473-D562 PolarHBondContact NZ-OD1 3.47Å; K473-D562 IonicContact NZ-OD2 3.85Å; K473-D562 PolarHBondContact NZ-OD2 2.94Å; Q557-D562 PolarHBondContact NE2-OD1 2.78Å; R558-D562 WeakPolarHBondContact O-CA 3.22Å; R558-D562 PolarHBondContact O-N 2.76Å
563	Q	82.9	Confident	87	Confident	112 Å²	112	36.4 Å²	36.4	52%	0.523	20%	0.204	S	C	.	.			trans	-80.6	131	177.7	-70.8	-171.8	-3.4	0	0	110.8	Q557 R558 D561	Q557-Q563 WeakPolarHBondContact CA-O 3.13Å; R558-Q563 PolarHBondContact N-O 2.77Å; R558-Q563 VanDerWaalsContact NH2-OE1 3.14Å; D561-Q563 HydrophobicContact CB-CG 4.08Å; D561-Q563 VanDerWaalsContact CG-CG 3.44Å; D561-Q563 PolarHBondContact O-N 2.75Å; D561-Q563 WeakPolarHBondContact OD1-CB 3.23Å; D561-Q563 PolarHBondContact OD1-N 3.42Å; D561-Q563 VanDerWaalsContact OD1-N 3.12Å; D561-Q563 WeakPolarHBondContact OD2-CG 3.16Å; D561-Q563 PolarHBondContact OD2-OE1 3.04Å
564	L	90	Very high	86.9	Confident	17 Å²	17	38 Å²	38	9%	0.089	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	144.6	170.4	-67.7	172.4	0	0	0	110	K473 F477 L555 R556 Q557	K473-L564 HydrophobicContact CD-CD1 4.15Å; K473-L564 HydrophobicContact CG-CD1 3.94Å; F477-L564 HydrophobicContact CB-CD1 4.21Å; F477-L564 HydrophobicContact CD1-CB 4.23Å; F477-L564 HydrophobicContact CD2-CB 3.96Å; F477-L564 HydrophobicContact CE1-CB 4.31Å; F477-L564 HydrophobicContact CE2-CB 4.05Å; F477-L564 WeakPolarHBondContact CE2-O 3.48Å; F477-L564 HydrophobicContact CG-CB 4.05Å; F477-L564 HydrophobicContact CG-CD1 4.38Å; F477-L564 HydrophobicContact CZ-CB 4.23Å; F477-L564 WeakPolarHBondContact CZ-O 3.35Å; L555-L564 HydrophobicContact CD2-CB 4.4Å; L555-L564 HydrophobicContact CD2-CD1 4.33Å; L555-L564 HydrophobicContact CD2-CD2 4.42Å; R556-L564 WeakPolarHBondContact O-CA 3.35Å; Q557-L564 HydrophobicContact CB-CD2 3.86Å; Q557-L564 HydrophobicContact CG-CD2 4.08Å
565	S	92.9	Very high	86.8	Confident	53 Å²	53	43.2 Å²	43.2	37%	0.371	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	150.9	172.3	55.8	0	0	0	0	109.9	L555 R556	L555-S565 CarbonylContact C-O 3.15Å; L555-S565 WeakPolarHBondContact CA-O 3.15Å; R556-S565 PolarHBondContact N-O 3.33Å; R556-S565 PolarHBondContact O-N 2.71Å; R556-S565 PolarHBondContact O-OG 2.76Å
566	I	94.4	Very high	86.6	Confident	25 Å²	25	47.1 Å²	47.1	13%	0.128	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	130.2	171.4	-58.8	-55.2	0	0	0	108.4	F477 V478 Y481 A553 L555 I570	F477-I566 HydrophobicContact CD1-CD1 3.92Å; F477-I566 HydrophobicContact CD1-CG1 4.45Å; F477-I566 HydrophobicContact CE1-CD1 3.95Å; F477-I566 HydrophobicContact CE1-CG1 4.01Å; V478-I566 HydrophobicContact CG2-CD1 3.97Å; Y481-I566 HydrophobicContact CD1-CG1 3.92Å; Y481-I566 HydrophobicContact CD2-CB 4.41Å; Y481-I566 HydrophobicContact CD2-CG1 3.64Å; Y481-I566 HydrophobicContact CE1-CG1 4.25Å; Y481-I566 HydrophobicContact CE2-CB 4.28Å; Y481-I566 HydrophobicContact CE2-CG1 4Å; Y481-I566 HydrophobicContact CG-CG1 3.61Å; A553-I566 HydrophobicContact CB-CD1 4.49Å; L555-I566 HydrophobicContact CD2-CD1 4.35Å; L555-I566 HydrophobicContact CG-CD1 4.08Å; I566-I570 HydrophobicContact CD1-CD1 4.38Å; I566-I570 HydrophobicContact CG1-CD1 4.4Å; I566-I570 HydrophobicContact CG2-CD1 4.46Å; I566-I570 HydrophobicContact CG2-CG1 4.05Å
567	V	90.7	Very high	86.5	Confident	14 Å²	14	47.6 Å²	47.6	9%	0.085	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	114.8	169.5	179.3	0	0	0	0	107.8	E453 V554 R556	E453-V567 HydrophobicContact CB-CG1 3.76Å; E453-V567 WeakPolarHBondContact OE2-CG1 2.73Å; V554-V567 HydrophobicContact CB-CB 4.04Å; V554-V567 HydrophobicContact CG1-CB 3.88Å; V554-V567 HydrophobicContact CG1-CG1 4.42Å; V554-V567 HydrophobicContact CG1-CG2 4.19Å; V554-V567 PolarHBondContact O-N 2.71Å; R556-V567 HydrophobicContact CB-CG2 3.52Å
568	G	90.3	Very high	86.7	Confident	35 Å²	35	52.7 Å²	52.7	36%	0.361	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	67.7	-139.7	176.2	0	0	0	0	0	114.1	E454	E454-G568 WeakPolarHBondContact OE1-CA 3.5Å
569	Q	90.3	Very high	87.3	Confident	57 Å²	57	50.3 Å²	50.3	27%	0.266	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	154.3	-177.6	-65.2	-64.1	-34.3	0	0	113.5	E454	E454-Q569 PolarHBondContact OE1-N 3.12Å
570	I	94.9	Very high	88.6	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.01	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	133.8	170.5	-60.8	168.9	0	0	0	108.5	V478 Y481 L482 F551 E552 A553 I566 K590 Y591	V478-I570 HydrophobicContact CG1-CD1 4.01Å; Y481-I570 HydrophobicContact CD1-CD1 3.62Å; Y481-I570 HydrophobicContact CE1-CD1 4.06Å; L482-I570 HydrophobicContact CD2-CB 4.33Å; L482-I570 HydrophobicContact CD2-CD1 3.54Å; L482-I570 HydrophobicContact CD2-CG2 4.32Å; L482-I570 HydrophobicContact CG-CD1 3.8Å; F551-I570 HydrophobicContact CB-CG2 3.93Å; F551-I570 HydrophobicContact CD1-CG2 4.46Å; E552-I570 WeakPolarHBondContact O-CG2 3.41Å; A553-I570 HydrophobicContact CB-CG1 3.92Å; A553-I570 HydrophobicContact CB-CG2 4.33Å; I566-I570 HydrophobicContact CD1-CD1 4.38Å; I566-I570 HydrophobicContact CG1-CD1 4.4Å; I566-I570 HydrophobicContact CG2-CD1 4.46Å; I566-I570 HydrophobicContact CG2-CG1 4.05Å; I570-K590 PolarHBondContact O-NZ 3.37Å; I570-Y591 HydrophobicContact CB-CE1 3.84Å; I570-Y591 HydrophobicContact CG2-CE1 3.88Å; I570-Y591 PolarHBondContact N-OH 3.41Å; I570-Y591 WeakPolarHBondContact O-CE1 3.44Å; I570-Y591 PolarHBondContact O-OH 3.09Å
571	S	94.3	Very high	89.7	Confident	8 Å²	8	53.5 Å²	53.5	6%	0.056	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	141.7	177.9	-67	0	0	0	0	110.4	F551 E552	F551-S571 CarbonylContact C-O 3.58Å; F551-S571 VanDerWaalsContact CA-O 3.27Å; F551-S571 WeakPolarHBondContact CA-O 3.11Å; E552-S571 PolarHBondContact N-O 2.8Å; E552-S571 PolarHBondContact O-N 2.72Å
572	R	95	Very high	90.6	Very high	14 Å²	14	52 Å²	52	5%	0.053	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	113.8	164.5	-177.3	167.4	-176.7	170.1	0.6	109.1	H550 F551 N574 Y576 K590	H550-R572 WeakPolarHBondContact O-CA 3.14Å; F551-R572 HydrophobicContact CD1-CB 4.05Å; F551-R572 HydrophobicContact CD1-CG 4.27Å; F551-R572 HydrophobicContact CE1-CB 4.01Å; F551-R572 HydrophobicContact CE1-CG 4Å; R572-N574 WeakPolarHBondContact CG-O 3.36Å; R572-N574 PolarHBondContact NE-OD1 3.29Å; R572-Y576 VanDerWaalsContact NH2-CB 3.32Å; R572-K590 HydrophobicContact CB-CB 4.08Å; R572-K590 WeakPolarHBondContact CD-O 3.34Å; R572-K590 PolarHBondContact NH1-O 3.21Å
573	I	94.5	Very high	91.5	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	26%	0.255	C	S	.	.			trans	-98.4	4.9	-170.5	63.7	171.7	0	0	0	113.6	F350 G351 R354 H355 T541 H550 E552	F350-I573 WeakPolarHBondContact CA-O 3.43Å; F350-I573 VanDerWaalsContact CB-O 3.29Å; F350-I573 WeakPolarHBondContact CB-O 3.3Å; G351-I573 PolarHBondContact N-O 3.41Å; R354-I573 HydrophobicContact CB-CB 4.22Å; H355-I573 WeakPolarHBondContact CE1-CD1 3.48Å; H355-I573 WeakPolarHBondContact ND1-CD1 3.21Å; T541-I573 HydrophobicContact CG2-CD1 3.58Å; H550-I573 HydrophobicContact CB-CD1 4.31Å; H550-I573 HydrophobicContact CB-CG1 3.65Å; H550-I573 PolarHBondContact O-N 2.79Å; E552-I573 HydrophobicContact CB-CG2 4.08Å
574	N	93.9	Very high	91.6	Very high	34 Å²	34	45.7 Å²	45.7	18%	0.182	25%	0.245	C	C	.	.	S	Bend	trans	-125.2	153.7	171.8	72.3	-20.2	0	0	0	112.3	G548 H550 R572 Y576	G548-N574 PolarHBondContact O-ND2 2.88Å; H550-N574 HydrophobicContact CB-CB 4.1Å; H550-N574 PolarHBondContact N-OD1 3.1Å; R572-N574 WeakPolarHBondContact CG-O 3.36Å; R572-N574 PolarHBondContact NE-OD1 3.29Å; N574-Y576 PolarHBondContact O-N 3.44Å
575	K	90.3	Very high	91.3	Very high	115 Å²	115	46.4 Å²	46.4	50%	0.5	25%	0.252	S	S	.	.			trans	-64.2	133.7	-179.3	-67.3	-169.4	178.2	-168.4	0	110.3	D312 F350	D312-K575 PolarHBondContact O-NZ 3.39Å; D312-K575 IonicContact OD1-NZ 3.5Å; D312-K575 PolarHBondContact OD1-NZ 2.83Å; F350-K575 HydrophobicContact CD2-CD 4.28Å; F350-K575 VanDerWaalsContact CD2-CE 3.48Å; F350-K575 HydrophobicContact CD2-CG 3.76Å; F350-K575 HydrophobicContact CE2-CD 4.15Å; F350-K575 HydrophobicContact CE2-CG 4.08Å; F350-K575 HydrophobicContact CG-CG 4.11Å
576	Y	89.9	Confident	90.7	Very high	82 Å²	82	47.3 Å²	47.3	32%	0.322	26%	0.262	S	S	.	.			trans	-101.8	-16.8	177.9	61.9	-95.5	0	0	0	114.3	R572 N574 N578 Q579 S580 R589 K590	R572-Y576 VanDerWaalsContact NH2-CB 3.32Å; N574-Y576 PolarHBondContact O-N 3.44Å; Y576-N578 PolarHBondContact O-N 2.91Å; Y576-Q579 VanDerWaalsContact O-CB 3.3Å; Y576-Q579 WeakPolarHBondContact O-CB 3.25Å; Y576-Q579 WeakPolarHBondContact O-CG 3.33Å; Y576-Q579 PolarHBondContact O-N 3.45Å; Y576-Q579 VanDerWaalsContact O-N 3.16Å; Y576-S580 WeakPolarHBondContact CD2-OG 3.23Å; Y576-S580 WeakPolarHBondContact CE2-OG 3.25Å; Y576-R589 HydrophobicContact CE2-CG 3.96Å; Y576-K590 HydrophobicContact CE1-CB 4.44Å
577	G	87.3	Confident	90.2	Very high	54 Å²	54	49.9 Å²	49.9	56%	0.557	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	52.7	-128.1	177.1	0	0	0	0	0	112.5	Q579	G577-Q579 VanDerWaalsContact C-N 3.34Å; G577-Q579 PolarHBondContact O-N 2.82Å
578	N	89.3	Confident	90.2	Very high	111 Å²	111	49.7 Å²	49.7	59%	0.594	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-87.9	6.1	-176.1	-68.9	-37	0	0	0	114.5	Y576 S580 R581	Y576-N578 PolarHBondContact O-N 2.91Å; N578-S580 PolarHBondContact O-N 3.32Å; N578-S580 VanDerWaalsContact O-N 3.16Å; N578-R581 HydrophobicContact CB-CG 4.43Å; N578-R581 VanDerWaalsContact CG-NE 3.27Å; N578-R581 PolarHBondContact ND2-NH2 3.49Å; N578-R581 VanDerWaalsContact ND2-NH2 3.2Å; N578-R581 VanDerWaalsContact OD1-CZ 3.31Å; N578-R581 PolarHBondContact OD1-NE 3.33Å; N578-R581 PolarHBondContact OD1-NH2 3.42Å
579	Q	92.8	Very high	90.2	Very high	58 Å²	58	52.7 Å²	52.7	27%	0.271	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-64.6	-19.3	-174.6	-66.3	173.6	11.3	0	0	114	G547 Y576 G577 Y593 C594	G547-Q579 PolarHBondContact O-NE2 3.24Å; G547-Q579 PolarHBondContact O-OE1 2.92Å; Y576-Q579 VanDerWaalsContact O-CB 3.3Å; Y576-Q579 WeakPolarHBondContact O-CB 3.25Å; Y576-Q579 WeakPolarHBondContact O-CG 3.33Å; Y576-Q579 PolarHBondContact O-N 3.45Å; Y576-Q579 VanDerWaalsContact O-N 3.16Å; G577-Q579 VanDerWaalsContact C-N 3.34Å; G577-Q579 PolarHBondContact O-N 2.82Å; Q579-Y593 HydrophobicContact CB-CD2 3.91Å; Q579-Y593 HydrophobicContact CB-CE2 4.31Å; Q579-Y593 HydrophobicContact CG-CD2 4.01Å; Q579-Y593 HydrophobicContact CG-CE2 4Å; Q579-Y593 CarbonylContact O-C 3.51Å; Q579-C594 WeakPolarHBondContact O-CB 3.48Å; Q579-C594 PolarHBondContact O-N 2.98Å; Q579-C594 PolarHBondContact O-SG 3.03Å
580	S	92.8	Very high	90.3	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.014	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-120.6	21.8	-169.9	57.6	0	0	0	0	114.4	Y576 N578 C582 A583 R589 C592 C594	Y576-S580 WeakPolarHBondContact CD2-OG 3.23Å; Y576-S580 WeakPolarHBondContact CE2-OG 3.25Å; N578-S580 PolarHBondContact O-N 3.32Å; N578-S580 VanDerWaalsContact O-N 3.16Å; S580-C582 PolarHBondContact O-N 2.85Å; S580-A583 VanDerWaalsContact O-CB 3.3Å; S580-A583 WeakPolarHBondContact O-CB 3.49Å; S580-A583 PolarHBondContact O-N 2.92Å; S580-R589 WeakPolarHBondContact CB-O 3.38Å; S580-R589 WeakPolarHBondContact OG-CG 3.44Å; S580-R589 PolarHBondContact OG-O 3.47Å; S580-C592 VanDerWaalsContact CB-O 3.29Å; S580-C592 WeakPolarHBondContact CB-O 3.24Å; S580-C594 VanDerWaalsContact C-SG 3.53Å
581	R	90.2	Very high	90.4	Very high	185 Å²	185	51.1 Å²	51.1	70%	0.698	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-28	-177.8	-75.1	-178.1	174.2	-163.9	-1.9	114.7	N578 A583 C594	N578-R581 HydrophobicContact CB-CG 4.43Å; N578-R581 VanDerWaalsContact CG-NE 3.27Å; N578-R581 PolarHBondContact ND2-NH2 3.49Å; N578-R581 VanDerWaalsContact ND2-NH2 3.2Å; N578-R581 VanDerWaalsContact OD1-CZ 3.31Å; N578-R581 PolarHBondContact OD1-NE 3.33Å; N578-R581 PolarHBondContact OD1-NH2 3.42Å; R581-A583 VanDerWaalsContact C-N 3.31Å; R581-C594 PolarHBondContact N-SG 3.02Å
582	C	92.6	Very high	90.5	Very high	35 Å²	35	50.7 Å²	50.7	24%	0.236	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-20	176.9	59.1	0	0	0	0	113.6	R493 S580 C592 C594	R493-C582 PolarHBondContact NH1-O 2.81Å; R493-C582 PolarHBondContact O-SG 2.94Å; S580-C582 PolarHBondContact O-N 2.85Å; C582-C592 VanDerWaalsContact SG-SG 3.6Å; C582-C594 HydrophobicContact CB-CB 3.91Å; C582-C594 WeakPolarHBondContact CB-SG 3.48Å; C582-C594 PolarHBondContact N-SG 3.25Å; C582-C594 WeakPolarHBondContact SG-CA 3.25Å; C582-C594 WeakPolarHBondContact SG-CB 3.35Å; C582-C594 CovalentContact SG-SG 2.04Å; C582-C594 PolarHBondContact SG-SG 3.41Å
583	A	91.2	Very high	90.6	Very high	3 Å²	3	53.5 Å²	53.5	3%	0.025	28%	0.275	C	S	.	.			trans	-73.5	127.9	-177.1	0	0	0	0	0	110.7	E490 S580 R581 R589 C592	E490-A583 WeakPolarHBondContact OE2-CA 3.32Å; S580-A583 VanDerWaalsContact O-CB 3.3Å; S580-A583 WeakPolarHBondContact O-CB 3.49Å; S580-A583 PolarHBondContact O-N 2.92Å; R581-A583 VanDerWaalsContact C-N 3.31Å; A583-R589 HydrophobicContact CB-CB 4.24Å; A583-R589 PolarHBondContact O-NH2 3.29Å; A583-C592 HydrophobicContact CB-CB 3.8Å
584	V	86.2	Confident	90.7	Very high	55 Å²	55	54.5 Å²	54.5	33%	0.333	28%	0.282	S	S	.	.			trans	-89.1	-43.9	-177.5	-176.9	0	0	0	0	110.8	E490 A586	E490-V584 PolarHBondContact OE1-N 3.43Å; E490-V584 PolarHBondContact OE2-N 2.94Å; V584-A586 PolarHBondContact O-N 3.48Å
585	S	83.2	Confident	90.5	Very high	31 Å²	31	57 Å²	57	22%	0.217	30%	0.295	C	S	.	.			trans	-67.1	124.5	174.2	172.2	0	0	0	0	110.7	E490 D587 M588 R589	E490-S585 WeakPolarHBondContact OE1-CA 3.37Å; E490-S585 WeakPolarHBondContact OE1-CB 3.24Å; E490-S585 PolarHBondContact OE1-N 2.92Å; S585-D587 PolarHBondContact O-N 2.98Å; S585-D587 PolarHBondContact OG-N 3.35Å; S585-M588 PolarHBondContact O-N 2.94Å; S585-M588 PolarHBondContact OG-N 2.94Å; S585-R589 PolarHBondContact O-N 3.37Å
586	A	81.1	Confident	90	Very high	72 Å²	72	58 Å²	58	60%	0.595	31%	0.306	S	S	*	.	H	α-helix	trans	-59.7	-39.8	174.1	0	0	0	0	0	111.2	V584 M588 R589	V584-A586 PolarHBondContact O-N 3.48Å; A586-M588 PolarHBondContact O-N 3.11Å; A586-R589 WeakPolarHBondContact O-CB 3.3Å; A586-R589 PolarHBondContact O-N 3.25Å
587	D	82.4	Confident	88.1	Confident	80 Å²	80	58 Å²	58	43%	0.428	32%	0.318	S	S	.	.	H	α-helix	trans	-66.7	-38.7	-178.8	-61.5	-17.2	0	0	0	111.8	S585 K590	S585-D587 PolarHBondContact O-N 2.98Å; S585-D587 PolarHBondContact OG-N 3.35Å; D587-K590 WeakPolarHBondContact O-CG 3.33Å
588	M	90.8	Very high	86	Confident	10 Å²	10	62.3 Å²	62.3	5%	0.049	33%	0.334	C	S	.	.	H	α-helix	trans	-82.8	-17.9	-179.2	-63.5	-57.3	105.3	0	0	113.3	Q485 L486 L489 E490 S585 A586 K590 Y591 C592	Q485-M588 HydrophobicContact CB-SD 3.88Å; L486-M588 HydrophobicContact CD2-CB 4.22Å; L489-M588 HydrophobicContact CB-CG 3.81Å; L489-M588 HydrophobicContact CD1-CE 3.87Å; L489-M588 HydrophobicContact CD1-CG 3.69Å; L489-M588 HydrophobicContact CD1-SD 3.8Å; L489-M588 HydrophobicContact CG-CG 4.41Å; E490-M588 HydrophobicContact CG-CB 3.88Å; E490-M588 HydrophobicContact CG-CG 4.3Å; S585-M588 PolarHBondContact O-N 2.94Å; S585-M588 PolarHBondContact OG-N 2.94Å; A586-M588 PolarHBondContact O-N 3.11Å; M588-K590 PolarHBondContact O-N 3.44Å; M588-K590 VanDerWaalsContact O-N 3.14Å; M588-Y591 HydrophobicContact CE-CD2 4.03Å; M588-Y591 HydrophobicContact CE-CE2 3.75Å; M588-Y591 PolarHBondContact O-N 3Å; M588-Y591 HydrophobicContact SD-CD2 3.86Å; M588-Y591 HydrophobicContact SD-CE2 4.19Å; M588-C592 PolarHBondContact O-N 3.49Å
589	R	91.7	Very high	83.5	Confident	97 Å²	97	62 Å²	62	37%	0.366	34%	0.341	S	S	.	.	H	α-helix	trans	-56.6	-32	-179.1	-174.4	174.5	-73.9	154.3	2	113	Y576 S580 A583 S585 A586 Y591	Y576-R589 HydrophobicContact CE2-CG 3.96Å; S580-R589 WeakPolarHBondContact CB-O 3.38Å; S580-R589 WeakPolarHBondContact OG-CG 3.44Å; S580-R589 PolarHBondContact OG-O 3.47Å; A583-R589 HydrophobicContact CB-CB 4.24Å; A583-R589 PolarHBondContact O-NH2 3.29Å; S585-R589 PolarHBondContact O-N 3.37Å; A586-R589 WeakPolarHBondContact O-CB 3.3Å; A586-R589 PolarHBondContact O-N 3.25Å; R589-Y591 VanDerWaalsContact C-N 3.34Å
590	K	92.9	Very high	80.7	Confident	20 Å²	20	63.4 Å²	63.4	9%	0.087	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-28.5	174.9	53.5	171.8	164.8	175.9	0	112.7	D190 I570 R572 Y576 D587 M588	D190-K590 IonicContact OD2-NZ 3.39Å; D190-K590 PolarHBondContact OD2-NZ 3.44Å; I570-K590 PolarHBondContact O-NZ 3.37Å; R572-K590 HydrophobicContact CB-CB 4.08Å; R572-K590 WeakPolarHBondContact CD-O 3.34Å; R572-K590 PolarHBondContact NH1-O 3.21Å; Y576-K590 HydrophobicContact CE1-CB 4.44Å; D587-K590 WeakPolarHBondContact O-CG 3.33Å; M588-K590 PolarHBondContact O-N 3.44Å; M588-K590 VanDerWaalsContact O-N 3.14Å
591	Y	96.1	Very high	78	Confident	6 Å²	6	71.5 Å²	71.5	2%	0.024	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-29.9	-178.5	-43	-58.5	0	0	0	113.3	L482 F551 I570 M588 R589	L482-Y591 HydrophobicContact CD2-CD1 3.6Å; L482-Y591 HydrophobicContact CD2-CD2 3.86Å; L482-Y591 HydrophobicContact CD2-CE1 3.84Å; L482-Y591 HydrophobicContact CD2-CE2 4.08Å; L482-Y591 HydrophobicContact CD2-CG 3.61Å; F551-Y591 AromaticContact CD1-CD1 3.9Å; F551-Y591 HydrophobicContact CD1-CD1 3.9Å; F551-Y591 HydrophobicContact CD1-CE1 4.39Å; F551-Y591 AromaticContact CE1-CD1 3.62Å; F551-Y591 HydrophobicContact CE1-CD1 3.62Å; F551-Y591 HydrophobicContact CE1-CE1 4.49Å; F551-Y591 HydrophobicContact CE1-CG 4.48Å; F551-Y591 HydrophobicContact CZ-CD1 4.44Å; I570-Y591 HydrophobicContact CB-CE1 3.84Å; I570-Y591 HydrophobicContact CG2-CE1 3.88Å; I570-Y591 PolarHBondContact N-OH 3.41Å; I570-Y591 WeakPolarHBondContact O-CE1 3.44Å; I570-Y591 PolarHBondContact O-OH 3.09Å; M588-Y591 HydrophobicContact CE-CD2 4.03Å; M588-Y591 HydrophobicContact CE-CE2 3.75Å; M588-Y591 PolarHBondContact O-N 3Å; M588-Y591 HydrophobicContact SD-CD2 3.86Å; M588-Y591 HydrophobicContact SD-CE2 4.19Å; R589-Y591 VanDerWaalsContact C-N 3.34Å
592	C	96.4	Very high	75.3	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	41%	0.407	C	S	.	.			trans	-64.1	136	-173	-174.1	0	0	0	0	112.8	L486 C494 S580 C582 A583 M588	L486-C592 HydrophobicContact CD2-CB 4.1Å; C494-C592 HydrophobicContact CB-CB 4.03Å; C494-C592 WeakPolarHBondContact CB-SG 3.47Å; C494-C592 WeakPolarHBondContact SG-CB 3.32Å; C494-C592 CovalentContact SG-SG 2.04Å; C494-C592 PolarHBondContact SG-SG 3.5Å; S580-C592 VanDerWaalsContact CB-O 3.29Å; S580-C592 WeakPolarHBondContact CB-O 3.24Å; C582-C592 VanDerWaalsContact SG-SG 3.6Å; A583-C592 HydrophobicContact CB-CB 3.8Å; M588-C592 PolarHBondContact O-N 3.49Å
593	Y	96.7	Very high	72.5	Confident	72 Å²	72	76.1 Å²	76.1	28%	0.282	46%	0.464	S	S	.	.			trans	-116.9	117.8	160.9	-177.9	-87	0	0	0	107.5	C494 A495 P546 G547 Q579 L595	C494-Y593 CarbonylContact C-O 3.47Å; C494-Y593 VanDerWaalsContact CA-O 3.3Å; C494-Y593 WeakPolarHBondContact CA-O 3.29Å; A495-Y593 HydrophobicContact CB-CD1 3.99Å; A495-Y593 PolarHBondContact N-O 3.02Å; P546-Y593 HydrophobicContact CB-CD1 3.78Å; P546-Y593 HydrophobicContact CB-CD2 4.33Å; P546-Y593 HydrophobicContact CB-CE1 3.79Å; P546-Y593 HydrophobicContact CB-CE2 4.35Å; P546-Y593 HydrophobicContact CB-CG 4.05Å; P546-Y593 HydrophobicContact CG-CD1 3.43Å; P546-Y593 VanDerWaalsContact CG-CD1 3.43Å; P546-Y593 HydrophobicContact CG-CE1 3.9Å; P546-Y593 HydrophobicContact CG-CG 3.78Å; G547-Y593 VanDerWaalsContact CA-CD2 3.47Å; Q579-Y593 HydrophobicContact CB-CD2 3.91Å; Q579-Y593 HydrophobicContact CB-CE2 4.31Å; Q579-Y593 HydrophobicContact CG-CD2 4.01Å; Q579-Y593 HydrophobicContact CG-CE2 4Å; Q579-Y593 CarbonylContact O-C 3.51Å; Y593-L595 PolarHBondContact O-N 3.17Å
594	C	96	Very high	71.6	Confident	22 Å²	22	79.8 Å²	79.8	15%	0.149	49%	0.486	C	S	.	.	B	Isolated β-bridge	trans	-64	134.6	-174.1	-65.1	0	0	0	0	111.7	Q579 S580 R581 C582 N596	Q579-C594 WeakPolarHBondContact O-CB 3.48Å; Q579-C594 PolarHBondContact O-N 2.98Å; Q579-C594 PolarHBondContact O-SG 3.03Å; S580-C594 VanDerWaalsContact C-SG 3.53Å; R581-C594 PolarHBondContact N-SG 3.02Å; C582-C594 HydrophobicContact CB-CB 3.91Å; C582-C594 WeakPolarHBondContact CB-SG 3.48Å; C582-C594 PolarHBondContact N-SG 3.25Å; C582-C594 WeakPolarHBondContact SG-CA 3.25Å; C582-C594 WeakPolarHBondContact SG-CB 3.35Å; C582-C594 CovalentContact SG-SG 2.04Å; C582-C594 PolarHBondContact SG-SG 3.41Å; C594-N596 PolarHBondContact O-N 3.46Å
595	L	91.6	Very high	70.8	Confident	86 Å²	86	81.1 Å²	81.1	45%	0.45	49%	0.494	S	S	.	.			trans	-62.2	128.9	162.3	-66.6	170.7	0	0	0	107.6	G492 R493 A495 Y593 S597	G492-L595 WeakPolarHBondContact O-CD1 3.2Å; R493-L595 PolarHBondContact O-N 2.8Å; A495-L595 HydrophobicContact CB-CD2 3.78Å; A495-L595 HydrophobicContact CB-CG 4.46Å; Y593-L595 PolarHBondContact O-N 3.17Å; L595-S597 PolarHBondContact O-N 3.48Å
596	N	78.2	Confident	70.1	Confident	138 Å²	138	83.8 Å²	83.8	74%	0.738	51%	0.509	S	S	*	.			trans	-60.4	104.1	170.7	-82.3	-16.1	0	0	0	107.6	C594 T598	C594-N596 PolarHBondContact O-N 3.46Å; N596-T598 PolarHBondContact O-N 3.46Å
597	S	51.2	Low	69.5	Low	82 Å²	82	84.5 Å²	84.5	57%	0.573	50%	0.504	S	S	*	.			trans	-76.7	74.4	171.5	65.1	0	0	0	0	109.2	L595 S599	L595-S597 PolarHBondContact O-N 3.48Å; S597-S599 PolarHBondContact O-N 3.01Å
598	T	41.6	Very low	68.7	Low	143 Å²	143	84.8 Å²	84.8	88%	0.877	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	4.4	155.6	34.3	0	0	0	0	111.9	N596	N596-T598 PolarHBondContact O-N 3.46Å
599	S	37.6	Very low	67.2	Low	106 Å²	106	89.8 Å²	89.8	74%	0.741	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.8	14	-177.9	51.4	0	0	0	0	116.1	S597	S597-S599 PolarHBondContact O-N 3.01Å
600	S	35	Very low	65.5	Low	87 Å²	87	89.3 Å²	89.3	61%	0.608	55%	0.552	S	S	*	*	S	Bend	trans	-129.9	24.5	175.8	70.7	0	0	0	0	115.4
601	L	34.4	Very low	63.4	Low	172 Å²	172	94.6 Å²	94.6	90%	0.901	59%	0.588	S	S	*	*	S	Bend	trans	-103.2	15.6	161.9	-87.8	167.1	0	0	0	112.8
602	V	34.8	Very low	60.6	Low	143 Å²	143	102 Å²	102	87%	0.867	64%	0.635	S	S	*	*			trans	-126.4	83.2	166.6	-171.9	0	0	0	0	108.2
603	A	34.1	Very low	57.4	Low	173 Å²	173	111.3 Å²	111.3	100%	1.43	69%	0.692	S	S	*	*			trans	-151.6	0	151.7	0	0	0	0	0	107.3

Retrieved 603 of 603 residues in 197.7 ms (Link to these results)

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