A0A077Z805_TRITR Loading...

Anion exchange protein

AlphaFold DB , UniProt , Accession A0A077Z805, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 724 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.1	Very low	37.4	Very low	236 Å²	236	145.8 Å²	145.8	100%	1.163	74%	0.74	S	S	*	*				0	96.2	0	-77.9	178.7	175.6	0	0	109.6
2	Y	27.6	Very low	39.1	Very low	233 Å²	233	149.6 Å²	149.6	91%	0.914	74%	0.738	S	S	*	*			trans	-144.4	76.6	158.5	-95.7	-81.8	0	0	0	106.2	S4	Y2-S4 PolarHBondContact O-N 3.02Å
3	K	25.2	Very low	40.4	Very low	197 Å²	197	145.2 Å²	145.2	86%	0.857	73%	0.731	S	S	*	*			trans	-74.2	83.1	161.4	-96.4	-173.8	173.3	-176.1	0	106.2	E5	K3-E5 PolarHBondContact O-N 3.03Å
4	S	30	Very low	42	Very low	84 Å²	84	140.4 Å²	140.4	59%	0.587	72%	0.715	S	S	*	*			trans	-74.6	83	167.1	164.7	0	0	0	0	107.4	Y2 T6	Y2-S4 PolarHBondContact O-N 3.02Å; S4-T6 PolarHBondContact O-N 2.84Å; S4-T6 WeakPolarHBondContact OG-CG2 3.44Å
5	E	28.4	Very low	43.5	Very low	161 Å²	161	134.3 Å²	134.3	75%	0.752	68%	0.682	S	S	*	*			trans	-68	77.5	157.5	-75.5	179.5	-178.3	0	0	107.5	K3 K7	K3-E5 PolarHBondContact O-N 3.03Å; E5-K7 PolarHBondContact O-N 2.88Å
6	T	37.5	Very low	45.1	Very low	114 Å²	114	130.1 Å²	130.1	70%	0.699	66%	0.661	S	S	*	*			trans	-64.5	90.3	163.9	33.5	0	0	0	0	107.1	S4 L8	S4-T6 PolarHBondContact O-N 2.84Å; S4-T6 WeakPolarHBondContact OG-CG2 3.44Å; T6-L8 PolarHBondContact O-N 3Å
7	K	34	Very low	46.8	Very low	191 Å²	191	128 Å²	128	83%	0.83	65%	0.652	S	S	*	*			trans	-47.5	112.3	160.7	-76.8	-179.3	175.2	178.7	0	107	E5	E5-K7 PolarHBondContact O-N 2.88Å
8	L	44.5	Very low	48.2	Very low	129 Å²	129	124.3 Å²	124.3	68%	0.675	63%	0.634	S	S	*	*			trans	-53.3	129.3	171.3	-85.7	114.4	0	0	0	107.5	T6 S10 I11	T6-L8 PolarHBondContact O-N 3Å; L8-S10 PolarHBondContact O-N 3.42Å; L8-I11 HydrophobicContact CD2-CD1 4.48Å
9	P	50.4	Low	49.5	Very low	84 Å²	84	121.3 Å²	121.3	55%	0.545	62%	0.619	S	S	.	*			trans	-56.6	140.2	176.9	22.3	-30.7	0	0	0	109.1	I11	P9-I11 VanDerWaalsContact O-CG1 3.27Å; P9-I11 WeakPolarHBondContact O-CG1 3.27Å; P9-I11 PolarHBondContact O-N 3.44Å
10	S	50.4	Low	50.7	Low	116 Å²	116	125 Å²	125	81%	0.811	63%	0.625	S	S	*	*			trans	-53.4	104	-178.7	55.8	0	0	0	0	110.4	L8 R12	L8-S10 PolarHBondContact O-N 3.42Å; S10-R12 PolarHBondContact O-N 2.89Å
11	I	53.8	Low	52.1	Low	59 Å²	59	127.6 Å²	127.6	30%	0.303	63%	0.632	S	S	.	*			trans	-74.1	122	-173.9	-51.5	179.1	0	0	0	108.1	L8 P9 Q15 I16 L19 P62	L8-I11 HydrophobicContact CD2-CD1 4.48Å; P9-I11 VanDerWaalsContact O-CG1 3.27Å; P9-I11 WeakPolarHBondContact O-CG1 3.27Å; P9-I11 PolarHBondContact O-N 3.44Å; I11-Q15 HydrophobicContact CG2-CB 3.59Å; I11-I16 HydrophobicContact CB-CG1 4.13Å; I11-I16 HydrophobicContact CG2-CD1 4.41Å; I11-I16 HydrophobicContact CG2-CG1 3.49Å; I11-I16 VanDerWaalsContact CG2-CG1 3.49Å; I11-L19 HydrophobicContact CD1-CD1 4.36Å; I11-P62 HydrophobicContact CD1-CG 4.22Å; I11-P62 HydrophobicContact CG1-CG 4.43Å
12	R	58.6	Low	54.4	Low	191 Å²	191	118.6 Å²	118.6	72%	0.721	59%	0.591	S	S	*	*			trans	-72	149.9	176.4	-64.1	-178	-176.1	175.3	1.1	109.8	S10 P14 Q15 I16	S10-R12 PolarHBondContact O-N 2.89Å; R12-P14 VanDerWaalsContact C-N 3.32Å; R12-P14 WeakPolarHBondContact O-CD 3.48Å; R12-P14 VanDerWaalsContact O-N 3.12Å; R12-Q15 WeakPolarHBondContact O-CB 3.37Å; R12-Q15 PolarHBondContact O-N 2.95Å; R12-I16 PolarHBondContact O-N 3.18Å
13	S	55.2	Low	56.9	Low	93 Å²	93	111 Å²	111	65%	0.65	58%	0.576	S	S	*	*	H	α-helix	trans	-51.3	-34.8	-176.7	55.5	0	0	0	0	115.9
14	P	62.7	Low	59.2	Low	77 Å²	77	111.6 Å²	111.6	50%	0.5	58%	0.578	S	S	.	*	H	α-helix	trans	-68.4	-36	175.8	-16.5	31.7	0	0	0	112.7	R12 I16 N17 L18	R12-P14 VanDerWaalsContact C-N 3.32Å; R12-P14 WeakPolarHBondContact O-CD 3.48Å; R12-P14 VanDerWaalsContact O-N 3.12Å; P14-I16 VanDerWaalsContact C-N 3.31Å; P14-I16 PolarHBondContact O-N 3.09Å; P14-N17 PolarHBondContact O-N 3.38Å; P14-L18 PolarHBondContact O-N 2.88Å
15	Q	65.6	Low	61.5	Low	49 Å²	49	114.9 Å²	114.9	23%	0.229	59%	0.589	C	S	.	*	H	α-helix	trans	-66.9	-34.1	-178.7	-65.6	174	-37.5	0	0	111.3	I11 R12 N17 L18 L19 E60	I11-Q15 HydrophobicContact CG2-CB 3.59Å; R12-Q15 WeakPolarHBondContact O-CB 3.37Å; R12-Q15 PolarHBondContact O-N 2.95Å; Q15-N17 VanDerWaalsContact C-N 3.33Å; Q15-N17 PolarHBondContact O-N 3.24Å; Q15-L18 PolarHBondContact O-N 2.78Å; Q15-L19 WeakPolarHBondContact O-CB 3.15Å; Q15-L19 PolarHBondContact O-N 3.42Å; Q15-E60 WeakPolarHBondContact CG-O 3.45Å; Q15-E60 PolarHBondContact NE2-O 2.93Å
16	I	68.4	Low	64.2	Low	67 Å²	67	109.8 Å²	109.8	34%	0.344	57%	0.569	S	S	.	*	H	α-helix	trans	-62.8	-41.4	176.1	-59.7	176.4	0	0	0	110.9	I11 R12 P14 L18 L19 R20	I11-I16 HydrophobicContact CB-CG1 4.13Å; I11-I16 HydrophobicContact CG2-CD1 4.41Å; I11-I16 HydrophobicContact CG2-CG1 3.49Å; I11-I16 VanDerWaalsContact CG2-CG1 3.49Å; R12-I16 PolarHBondContact O-N 3.18Å; P14-I16 VanDerWaalsContact C-N 3.31Å; P14-I16 PolarHBondContact O-N 3.09Å; I16-L18 VanDerWaalsContact C-N 3.34Å; I16-L19 PolarHBondContact O-N 3.29Å; I16-R20 WeakPolarHBondContact O-CG 3.47Å; I16-R20 PolarHBondContact O-N 3.39Å; I16-R20 VanDerWaalsContact O-N 3.09Å
17	N	74.9	Confident	66.6	Low	95 Å²	95	107.7 Å²	107.7	51%	0.508	55%	0.552	S	S	.	*	H	α-helix	trans	-67.1	-36.8	179	-72.7	-19.4	0	0	0	112.1	P14 Q15	P14-N17 PolarHBondContact O-N 3.38Å; Q15-N17 VanDerWaalsContact C-N 3.33Å; Q15-N17 PolarHBondContact O-N 3.24Å
18	L	71.7	Confident	69.2	Low	62 Å²	62	99 Å²	99	33%	0.325	52%	0.517	S	S	.	.	H	α-helix	trans	-68.2	-44.8	173.6	-75.6	161.3	0	0	0	111.4	P14 Q15 I16 R20 K21 I61	P14-L18 PolarHBondContact O-N 2.88Å; Q15-L18 PolarHBondContact O-N 2.78Å; I16-L18 VanDerWaalsContact C-N 3.34Å; L18-R20 VanDerWaalsContact C-N 3.28Å; L18-R20 PolarHBondContact O-N 3.33Å; L18-K21 WeakPolarHBondContact O-CB 3.4Å; L18-K21 PolarHBondContact O-N 3.48Å; L18-I61 HydrophobicContact CB-CD1 3.65Å; L18-I61 HydrophobicContact CB-CG1 3.91Å; L18-I61 HydrophobicContact CD1-CG1 4.41Å
19	L	72.2	Confident	71.4	Confident	66 Å²	66	94.6 Å²	94.6	35%	0.346	50%	0.499	S	S	.	.	H	α-helix	trans	-57.6	-37.8	177.8	-124.3	147.7	0	0	0	112.9	I11 Q15 I16 K21 V22 I61 P62	I11-L19 HydrophobicContact CD1-CD1 4.36Å; Q15-L19 WeakPolarHBondContact O-CB 3.15Å; Q15-L19 PolarHBondContact O-N 3.42Å; I16-L19 PolarHBondContact O-N 3.29Å; L19-K21 PolarHBondContact O-N 3.31Å; L19-V22 PolarHBondContact O-N 2.77Å; L19-I61 HydrophobicContact CB-CG2 4.17Å; L19-I61 HydrophobicContact CD1-CG2 3.73Å; L19-I61 HydrophobicContact CG-CG2 3.49Å; L19-I61 VanDerWaalsContact CG-CG2 3.49Å; L19-P62 HydrophobicContact CD1-CG 3.62Å
20	R	73.8	Confident	73.4	Confident	196 Å²	196	91.5 Å²	91.5	74%	0.74	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-22.8	177	-75.2	-176.9	-159.6	170.9	6.3	113.9	I16 L18 V22	I16-R20 WeakPolarHBondContact O-CG 3.47Å; I16-R20 PolarHBondContact O-N 3.39Å; I16-R20 VanDerWaalsContact O-N 3.09Å; L18-R20 VanDerWaalsContact C-N 3.28Å; L18-R20 PolarHBondContact O-N 3.33Å; R20-V22 VanDerWaalsContact C-N 3.34Å
21	K	79.8	Confident	75.4	Confident	179 Å²	179	87.9 Å²	87.9	78%	0.778	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-12.5	178.8	-65.7	-179.9	179.3	-176.1	0	112.8	L18 L19	L18-K21 WeakPolarHBondContact O-CB 3.4Å; L18-K21 PolarHBondContact O-N 3.48Å; L19-K21 PolarHBondContact O-N 3.31Å
22	V	78.5	Confident	77.2	Confident	48 Å²	48	89.4 Å²	89.4	29%	0.291	46%	0.456	S	S	.	.	S	Bend	trans	-101.1	147.2	-176.4	-178.6	0	0	0	0	109.1	L19 R20 T26 I61 I63	L19-V22 PolarHBondContact O-N 2.77Å; R20-V22 VanDerWaalsContact C-N 3.34Å; V22-T26 HydrophobicContact CG1-CG2 3.58Å; V22-T26 WeakPolarHBondContact CG1-OG1 3.38Å; V22-I61 HydrophobicContact CG2-CD1 4.31Å; V22-I63 HydrophobicContact CG1-CD1 4.22Å
23	A	78.7	Confident	78.6	Confident	72 Å²	72	83.2 Å²	83.2	60%	0.595	44%	0.437	S	S	*	.			trans	-67.1	150.7	178.5	0	0	0	0	0	110.9	D25 T26	A23-D25 PolarHBondContact O-N 2.97Å; A23-D25 VanDerWaalsContact O-N 3.13Å; A23-T26 PolarHBondContact N-OG1 3.22Å; A23-T26 WeakPolarHBondContact O-CB 3.39Å; A23-T26 PolarHBondContact O-N 3.47Å; A23-T26 VanDerWaalsContact O-N 3.15Å; A23-T26 PolarHBondContact O-OG1 3.24Å; A23-T26 VanDerWaalsContact O-OG1 3.07Å
24	K	75	Confident	80.2	Confident	210 Å²	210	79.8 Å²	79.8	91%	0.913	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-27	-173.1	-72.9	-175.3	178	179	0	114.2
25	D	78	Confident	81.3	Confident	153 Å²	153	81.1 Å²	81.1	82%	0.818	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	22.1	-178.1	-55.1	-38.1	0	0	0	112.6	A23 E27	A23-D25 PolarHBondContact O-N 2.97Å; A23-D25 VanDerWaalsContact O-N 3.13Å; D25-E27 PolarHBondContact O-N 3.13Å
26	T	84.7	Confident	82.2	Confident	55 Å²	55	80.9 Å²	80.9	34%	0.337	41%	0.414	S	S	.	.			trans	-66.2	131.7	177	-62	0	0	0	0	110.1	V22 A23 I63	V22-T26 HydrophobicContact CG1-CG2 3.58Å; V22-T26 WeakPolarHBondContact CG1-OG1 3.38Å; A23-T26 PolarHBondContact N-OG1 3.22Å; A23-T26 WeakPolarHBondContact O-CB 3.39Å; A23-T26 PolarHBondContact O-N 3.47Å; A23-T26 VanDerWaalsContact O-N 3.15Å; A23-T26 PolarHBondContact O-OG1 3.24Å; A23-T26 VanDerWaalsContact O-OG1 3.07Å; T26-I63 WeakPolarHBondContact O-CG2 3.48Å
27	E	87.8	Confident	82.9	Confident	69 Å²	69	83.1 Å²	83.1	32%	0.322	43%	0.427	S	S	.	.			trans	-109	147.6	171.8	-57.9	-173.5	157.8	0	0	109.3	D25 A52 P64 R66 Y103	D25-E27 PolarHBondContact O-N 3.13Å; E27-A52 HydrophobicContact CG-CB 4.31Å; E27-A52 WeakPolarHBondContact OE1-CB 3.46Å; E27-P64 HydrophobicContact CG-CG 4.5Å; E27-R66 HydrophobicContact CB-CB 3.87Å; E27-R66 VanDerWaalsContact OE2-CB 3.24Å; E27-R66 WeakPolarHBondContact OE2-CB 3.31Å; E27-R66 WeakPolarHBondContact OE2-CD 3.42Å; E27-R66 WeakPolarHBondContact OE2-CG 3.3Å; E27-R66 IonicContact OE2-NE 3.8Å; E27-Y103 PolarHBondContact OE2-OH 2.83Å
28	G	88.7	Confident	83.4	Confident	10 Å²	10	86.2 Å²	86.2	10%	0.103	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	146	-178	0	0	0	0	0	112.8	P64 R66 F67	G28-P64 PolarHBondContact N-O 3.3Å; G28-R66 PolarHBondContact O-N 3.17Å; G28-F67 PolarHBondContact O-N 3.42Å
29	A	91.5	Very high	84	Confident	36 Å²	36	85.7 Å²	85.7	30%	0.298	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	140.6	163.9	0	0	0	0	0	109.1	F67 F93	A29-F67 CarbonylContact C-O 3.59Å; A29-F67 VanDerWaalsContact CA-O 3.3Å; A29-F67 WeakPolarHBondContact CA-O 2.9Å; A29-F67 HydrophobicContact CB-CB 4Å; A29-F93 HydrophobicContact CB-CB 4.2Å; A29-F93 HydrophobicContact CB-CD1 3.74Å; A29-F93 HydrophobicContact CB-CD2 3.94Å; A29-F93 HydrophobicContact CB-CE1 4.01Å; A29-F93 HydrophobicContact CB-CE2 4.2Å; A29-F93 HydrophobicContact CB-CG 3.71Å; A29-F93 HydrophobicContact CB-CZ 4.23Å
30	C	91.1	Very high	84.5	Confident	19 Å²	19	87.7 Å²	87.7	13%	0.128	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	142.4	-179.7	-170.8	0	0	0	0	111.4	L58 F59 L65 F67 L68 F69	C30-L58 HydrophobicContact CB-CD2 4.21Å; C30-F59 HydrophobicContact CB-CE1 4.18Å; C30-F59 HydrophobicContact CB-CZ 4.05Å; C30-L65 HydrophobicContact CB-CD1 3.69Å; C30-F67 PolarHBondContact N-O 2.84Å; C30-L68 HydrophobicContact CB-CD1 3.95Å; C30-L68 WeakPolarHBondContact O-CA 3.41Å; C30-F69 PolarHBondContact O-N 2.6Å
31	V	92.4	Very high	85	Confident	39 Å²	39	84.3 Å²	84.3	24%	0.236	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	114	177	174.9	0	0	0	0	108.4	I33 F69 A86 M89 F93	V31-I33 HydrophobicContact CG1-CG1 4.25Å; V31-F69 CarbonylContact C-O 3.59Å; V31-F69 WeakPolarHBondContact CA-O 3.36Å; V31-F69 HydrophobicContact CG1-CD1 3.93Å; V31-F69 HydrophobicContact CG2-CB 4.27Å; V31-A86 HydrophobicContact CG1-CB 3.89Å; V31-M89 HydrophobicContact CG2-CB 3.98Å; V31-F93 HydrophobicContact CG2-CD2 4.3Å; V31-F93 HydrophobicContact CG2-CE2 3.92Å
32	F	91.8	Very high	85.4	Confident	92 Å²	92	78.8 Å²	78.8	40%	0.404	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	128.9	173	-73.2	-54.3	0	0	0	110.7	L58 L68 F69 V70 L71	F32-L58 HydrophobicContact CE1-CD1 3.86Å; F32-L58 HydrophobicContact CE2-CD1 4.38Å; F32-L58 HydrophobicContact CZ-CD1 3.38Å; F32-L68 HydrophobicContact CD2-CD1 3.32Å; F32-L68 HydrophobicContact CD2-CD2 4.15Å; F32-L68 HydrophobicContact CD2-CG 4.06Å; F32-L68 HydrophobicContact CE2-CD1 3.3Å; F32-L68 HydrophobicContact CE2-CD2 4.3Å; F32-L68 HydrophobicContact CE2-CG 4.32Å; F32-L68 HydrophobicContact CG-CD1 4.44Å; F32-L68 HydrophobicContact CZ-CD1 4.41Å; F32-F69 PolarHBondContact N-O 2.91Å; F32-V70 HydrophobicContact CB-CG2 4.43Å; F32-V70 HydrophobicContact CD2-CG2 4.45Å; F32-V70 CarbonylContact O-C 3.4Å; F32-V70 WeakPolarHBondContact O-CA 3.39Å; F32-L71 PolarHBondContact O-N 2.88Å
33	I	89.1	Confident	85.9	Confident	60 Å²	60	81.4 Å²	81.4	31%	0.308	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	126.1	172.1	-61.3	178.3	0	0	0	108.1	V31 L71 A82 A86	V31-I33 HydrophobicContact CG1-CG1 4.25Å; I33-L71 CarbonylContact C-O 3.54Å; I33-L71 VanDerWaalsContact CA-O 3.27Å; I33-L71 WeakPolarHBondContact CA-O 3.49Å; I33-L71 HydrophobicContact CD1-CD2 4.35Å; I33-L71 HydrophobicContact CG1-CB 4.32Å; I33-L71 HydrophobicContact CG1-CD2 4.23Å; I33-A82 HydrophobicContact CD1-CB 4.41Å; I33-A82 WeakPolarHBondContact CD1-O 3.25Å; I33-A82 HydrophobicContact CG2-CB 3.9Å; I33-A86 HydrophobicContact CD1-CB 3.29Å; I33-A86 HydrophobicContact CG1-CB 4.32Å
34	G	88.5	Confident	86.4	Confident	21 Å²	21	81.8 Å²	81.8	22%	0.216	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	152.8	177.6	0	0	0	0	0	112.2	L71 L72 V73	G34-L71 PolarHBondContact N-O 2.91Å; G34-L72 WeakPolarHBondContact O-CA 3.37Å; G34-V73 PolarHBondContact O-N 3.43Å
35	R	85.4	Confident	87.2	Confident	105 Å²	105	76.4 Å²	76.4	40%	0.396	42%	0.418	S	S	.	.			trans	-127.9	72.7	175.8	-81.1	177.1	-102	160.6	-1.9	110.2	V73 E79	R35-V73 WeakPolarHBondContact CA-O 3.31Å; R35-V73 HydrophobicContact CG-CG2 3.66Å; R35-E79 IonicContact CZ-OE1 3.15Å; R35-E79 VanDerWaalsContact CZ-OE1 3.3Å; R35-E79 IonicContact NH1-OE1 2.73Å; R35-E79 PolarHBondContact NH1-OE1 2.79Å; R35-E79 IonicContact NH1-OE2 3.63Å; R35-E79 IonicContact NH2-OE1 2.94Å; R35-E79 PolarHBondContact NH2-OE1 3.01Å
36	P	85.2	Confident	87.9	Confident	45 Å²	45	71.1 Å²	71.1	29%	0.292	39%	0.388	S	S	.	.			trans	-72.7	147.9	177.9	30.4	-33.3	0	0	0	111.1	N38 I39 L72	P36-N38 VanDerWaalsContact C-N 3.31Å; P36-N38 PolarHBondContact O-N 3.15Å; P36-I39 HydrophobicContact CB-CD1 4.31Å; P36-I39 HydrophobicContact CB-CG1 4.31Å; P36-I39 HydrophobicContact CG-CB 4.08Å; P36-I39 HydrophobicContact CG-CD1 3.27Å; P36-I39 HydrophobicContact CG-CG1 3.57Å; P36-L72 HydrophobicContact CG-CB 4.33Å
37	D	83.1	Confident	88.3	Confident	113 Å²	113	71 Å²	71	60%	0.604	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-27.2	-173.9	-67.7	-11.2	0	0	0	113.7	K75	D37-K75 WeakPolarHBondContact OD1-CD 3.46Å; D37-K75 WeakPolarHBondContact OD1-CE 3.43Å; D37-K75 IonicContact OD1-NZ 3.89Å; D37-K75 PolarHBondContact OD1-NZ 2.79Å; D37-K75 IonicContact OD2-NZ 2.84Å
38	N	83.8	Confident	88.5	Confident	161 Å²	161	72.6 Å²	72.6	86%	0.861	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	20	-167.3	-63.4	-12.1	0	0	0	113.9	P36	P36-N38 VanDerWaalsContact C-N 3.31Å; P36-N38 PolarHBondContact O-N 3.15Å
39	I	85.1	Confident	88.7	Confident	51 Å²	51	74.3 Å²	74.3	26%	0.262	40%	0.397	S	S	.	.			trans	-109.7	124.2	178.9	-64.9	-169	0	0	0	109.3	P36 I41 L72 P74	P36-I39 HydrophobicContact CB-CD1 4.31Å; P36-I39 HydrophobicContact CB-CG1 4.31Å; P36-I39 HydrophobicContact CG-CB 4.08Å; P36-I39 HydrophobicContact CG-CD1 3.27Å; P36-I39 HydrophobicContact CG-CG1 3.57Å; I39-I41 WeakPolarHBondContact CG2-O 3.19Å; I39-L72 HydrophobicContact CD1-CB 4.04Å; I39-L72 HydrophobicContact CD1-CD1 3.86Å; I39-P74 WeakPolarHBondContact O-CB 3.46Å
40	S	83.3	Confident	88.6	Confident	107 Å²	107	83.2 Å²	83.2	75%	0.748	42%	0.423	S	S	*	.	S	Bend	trans	-91.8	-21.9	176.6	52.8	0	0	0	0	113.8
41	I	84.3	Confident	88.5	Confident	125 Å²	125	87.7 Å²	87.7	64%	0.641	45%	0.446	S	S	*	.	S	Bend	trans	-128	133	-175.3	-57.8	172	0	0	0	108.8	I39 F43	I39-I41 WeakPolarHBondContact CG2-O 3.19Å; I41-F43 PolarHBondContact O-N 2.85Å
42	P	86.9	Confident	88.3	Confident	64 Å²	64	87.4 Å²	87.4	42%	0.416	45%	0.447	S	S	.	.			trans	-58.1	136.1	177.6	25.2	-34.6	0	0	0	111.4	L72 V73	P42-L72 CarbonylContact C-O 3.58Å; P42-L72 VanDerWaalsContact CA-O 3.27Å; P42-L72 WeakPolarHBondContact CA-O 3.12Å; P42-V73 HydrophobicContact CB-CG1 4.23Å
43	F	88.9	Confident	88.3	Confident	102 Å²	102	86 Å²	86	45%	0.447	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	130.6	-179.6	174.4	-96.9	0	0	0	110.1	I41 Q45 L72	I41-F43 PolarHBondContact O-N 2.85Å; F43-Q45 HydrophobicContact CE1-CB 3.88Å; F43-Q45 HydrophobicContact CZ-CB 3.98Å; F43-L72 HydrophobicContact CB-CB 4.33Å; F43-L72 HydrophobicContact CD1-CD1 4.07Å; F43-L72 HydrophobicContact CD1-CG 4.42Å; F43-L72 PolarHBondContact N-O 3.07Å; F43-L72 PolarHBondContact O-N 3.36Å
44	T	89.6	Confident	88.1	Confident	81 Å²	81	88.2 Å²	88.2	50%	0.497	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	139.1	178.1	61	0	0	0	0	110.8	F69 V70 L71	T44-F69 HydrophobicContact CG2-CZ 4.38Å; T44-V70 CarbonylContact C-O 3.57Å; T44-V70 VanDerWaalsContact CA-O 3.31Å; T44-V70 WeakPolarHBondContact CA-O 3.25Å; T44-L71 HydrophobicContact CG2-CD1 3.42Å; T44-L71 VanDerWaalsContact CG2-CD1 3.42Å
45	Q	91.8	Very high	87.9	Confident	96 Å²	96	91.4 Å²	91.4	45%	0.449	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	128.9	175.7	-169.8	64.3	45.1	0	0	110.9	F43 V47 V70	F43-Q45 HydrophobicContact CE1-CB 3.88Å; F43-Q45 HydrophobicContact CZ-CB 3.98Å; Q45-V47 HydrophobicContact CG-CG2 3.9Å; Q45-V70 PolarHBondContact N-O 3.39Å; Q45-V70 PolarHBondContact O-N 3.29Å
46	F	92.8	Very high	87.6	Confident	43 Å²	43	95.9 Å²	95.9	19%	0.189	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	133	166.3	-175.4	-92.2	0	0	0	109.6	R48 F67 F69 F93 C102 L111	F46-R48 HydrophobicContact CE1-CB 4.26Å; F46-F67 HydrophobicContact CE1-CD1 4.22Å; F46-F67 HydrophobicContact CZ-CB 4.35Å; F46-F67 AromaticContact CZ-CD1 3.68Å; F46-F67 HydrophobicContact CZ-CD1 3.68Å; F46-F67 HydrophobicContact CZ-CE1 4.38Å; F46-F67 HydrophobicContact CZ-CG 4.31Å; F46-F69 HydrophobicContact CB-CD2 4.5Å; F46-F69 HydrophobicContact CD2-CD2 4.42Å; F46-F93 HydrophobicContact CD2-CZ 4.35Å; F46-F93 AromaticContact CE2-CE1 3.67Å; F46-F93 HydrophobicContact CE2-CE1 3.67Å; F46-F93 AromaticContact CE2-CZ 3.7Å; F46-F93 HydrophobicContact CE2-CZ 3.7Å; F46-F93 HydrophobicContact CZ-CE1 4.33Å; F46-C102 HydrophobicContact CZ-CB 4.1Å; F46-L111 HydrophobicContact CB-CD1 4.35Å; F46-L111 HydrophobicContact CD1-CD1 3.51Å; F46-L111 HydrophobicContact CE1-CD1 3.89Å; F46-L111 HydrophobicContact CE1-CD2 4.18Å; F46-L111 HydrophobicContact CG-CD1 3.95Å; F46-L111 HydrophobicContact CZ-CD2 4.31Å
47	V	92.6	Very high	87.3	Confident	53 Å²	53	101.9 Å²	101.9	32%	0.321	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	124.6	-179.1	-178.4	0	0	0	0	109.1	Q45 L49 L68	Q45-V47 HydrophobicContact CG-CG2 3.9Å; V47-L49 HydrophobicContact CG1-CD2 4.46Å; V47-L68 HydrophobicContact CB-CB 4.19Å; V47-L68 PolarHBondContact N-O 3.23Å; V47-L68 PolarHBondContact O-N 3.31Å
48	R	92.9	Very high	87.3	Confident	101 Å²	101	98.6 Å²	98.6	38%	0.381	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	119.9	170.3	179.5	177.3	73.4	-162	-3.4	109.4	F46 F67 C102 Y103 A105	F46-R48 HydrophobicContact CE1-CB 4.26Å; R48-F67 HydrophobicContact CB-CD1 4.15Å; R48-F67 HydrophobicContact CB-CE1 4.25Å; R48-F67 HydrophobicContact CG-CD1 3.97Å; R48-F67 HydrophobicContact CG-CE1 3.66Å; R48-C102 WeakPolarHBondContact CD-O 3.46Å; R48-C102 PolarHBondContact NH1-O 3.01Å; R48-Y103 PolarHBondContact NH1-O 3.43Å; R48-A105 VanDerWaalsContact CZ-O 3.28Å; R48-A105 PolarHBondContact NH1-O 3.18Å; R48-A105 PolarHBondContact NH2-O 3.45Å
49	L	92.7	Very high	87.3	Confident	46 Å²	46	93.6 Å²	93.6	24%	0.241	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	140.4	174.9	-60.9	176.6	0	0	0	110.4	V47 N51 T53 L65 R66	V47-L49 HydrophobicContact CG1-CD2 4.46Å; L49-N51 WeakPolarHBondContact CB-O 3.49Å; L49-T53 WeakPolarHBondContact CD1-OG1 3.48Å; L49-L65 HydrophobicContact CD1-CB 4.39Å; L49-L65 HydrophobicContact CD1-CD2 4.04Å; L49-L65 HydrophobicContact CD1-CG 4.13Å; L49-L65 WeakPolarHBondContact CD1-O 3.24Å; L49-R66 PolarHBondContact N-O 3.43Å; L49-R66 PolarHBondContact O-NE 3.48Å; L49-R66 PolarHBondContact O-NH1 2.97Å; L49-R66 VanDerWaalsContact O-NH1 3.17Å; L49-R66 PolarHBondContact O-NH2 3.39Å
50	R	89	Confident	87.1	Confident	223 Å²	223	97.9 Å²	97.9	84%	0.842	49%	0.491	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64	-44.1	179.5	-176.3	177.1	-178.2	175.1	1.6	111.7	R66	R50-R66 VanDerWaalsContact C-NH1 3.27Å; R50-R66 PolarHBondContact O-NH1 2.96Å; R50-R66 PolarHBondContact O-NH2 2.96Å
51	N	89.7	Confident	87	Confident	114 Å²	114	94 Å²	94	61%	0.61	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.7	141	173.6	-64.2	-15.6	0	0	0	107.7	L49 T53	L49-N51 WeakPolarHBondContact CB-O 3.49Å; N51-T53 PolarHBondContact O-N 3.08Å
52	A	88.9	Confident	86.9	Confident	32 Å²	32	89.7 Å²	89.7	26%	0.264	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	132.1	176.1	0	0	0	0	0	109.3	E27 P64 L65 R66	E27-A52 HydrophobicContact CG-CB 4.31Å; E27-A52 WeakPolarHBondContact OE1-CB 3.46Å; A52-P64 HydrophobicContact CB-CB 3.8Å; A52-P64 HydrophobicContact CB-CG 4.19Å; A52-L65 CarbonylContact C-O 3.57Å; A52-L65 VanDerWaalsContact CA-O 3.25Å; A52-L65 WeakPolarHBondContact CA-O 3.15Å; A52-R66 HydrophobicContact CB-CB 4.48Å
53	T	90.2	Very high	86.9	Confident	63 Å²	63	87.9 Å²	87.9	39%	0.387	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	135.7	-171.7	54.4	0	0	0	0	111.9	L49 N51 M55 L65	L49-T53 WeakPolarHBondContact CD1-OG1 3.48Å; N51-T53 PolarHBondContact O-N 3.08Å; T53-M55 PolarHBondContact O-N 3.12Å; T53-L65 PolarHBondContact N-O 2.76Å; T53-L65 PolarHBondContact O-N 3.46Å
54	M	85.9	Confident	86.9	Confident	106 Å²	106	84.8 Å²	84.8	52%	0.522	42%	0.418	S	S	.	.			trans	-73.1	110	173.9	-69.6	-62	-73.2	0	0	110.6	P62 I63 P64	M54-P62 VanDerWaalsContact CE-C 3.44Å; M54-P62 HydrophobicContact CE-CB 3.64Å; M54-P62 WeakPolarHBondContact CE-O 3.46Å; M54-I63 VanDerWaalsContact SD-C 3.51Å; M54-P64 HydrophobicContact CG-CB 4.45Å; M54-P64 VanDerWaalsContact SD-CA 3.56Å; M54-P64 HydrophobicContact SD-CB 3.86Å; M54-P64 HydrophobicContact SD-CG 4.5Å; M54-P64 VanDerWaalsContact SD-N 3.37Å
55	M	83	Confident	87.1	Confident	89 Å²	89	81 Å²	81	44%	0.438	39%	0.394	S	S	.	.			trans	-98	127.3	173.6	-68.6	-114	-129.4	0	0	109.7	T53 L58 L65	T53-M55 PolarHBondContact O-N 3.12Å; M55-L58 HydrophobicContact CB-CB 3.88Å; M55-L58 HydrophobicContact CB-CD2 3.97Å; M55-L58 HydrophobicContact CG-CD2 4.28Å; M55-L65 HydrophobicContact CE-CD2 3.32Å; M55-L65 HydrophobicContact CG-CB 4.38Å; M55-L65 HydrophobicContact CG-CD2 4.27Å
56	K	79.6	Confident	87.1	Confident	199 Å²	199	78.3 Å²	78.3	87%	0.865	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	134.7	178.3	-69.5	-176.7	180	178.1	0	110.1	L58	K56-L58 PolarHBondContact O-N 3.01Å
57	N	79.2	Confident	87.2	Confident	171 Å²	171	76.6 Å²	76.6	91%	0.914	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.1	16	174.9	-56.9	-12.4	0	0	0	116.2
58	L	83.4	Confident	87.2	Confident	43 Å²	43	75.3 Å²	75.3	23%	0.225	36%	0.364	C	S	.	.	S	Bend	trans	-82.1	-45.4	177.6	-173.2	64.5	0	0	0	112.4	C30 F32 M55 K56 L65	C30-L58 HydrophobicContact CB-CD2 4.21Å; F32-L58 HydrophobicContact CE1-CD1 3.86Å; F32-L58 HydrophobicContact CE2-CD1 4.38Å; F32-L58 HydrophobicContact CZ-CD1 3.38Å; M55-L58 HydrophobicContact CB-CB 3.88Å; M55-L58 HydrophobicContact CB-CD2 3.97Å; M55-L58 HydrophobicContact CG-CD2 4.28Å; K56-L58 PolarHBondContact O-N 3.01Å; L58-L65 HydrophobicContact CD2-CB 4.27Å; L58-L65 HydrophobicContact CD2-CD1 3.85Å; L58-L65 HydrophobicContact CD2-CD2 3.72Å; L58-L65 HydrophobicContact CD2-CG 4.17Å
59	F	82.9	Confident	87.2	Confident	56 Å²	56	71.5 Å²	71.5	25%	0.246	35%	0.35	C	S	.	.	S	Bend	trans	-111.2	148	178.1	-62.4	-63	0	0	0	109.7	C30 I61 I63 L65	C30-F59 HydrophobicContact CB-CE1 4.18Å; C30-F59 HydrophobicContact CB-CZ 4.05Å; F59-I61 WeakPolarHBondContact CB-O 3.15Å; F59-I61 PolarHBondContact O-N 3.4Å; F59-I63 WeakPolarHBondContact CD2-O 3.05Å; F59-L65 HydrophobicContact CE2-CB 4.03Å; F59-L65 HydrophobicContact CE2-CD1 3.75Å; F59-L65 HydrophobicContact CZ-CD1 3.51Å
60	E	80.7	Confident	87.3	Confident	142 Å²	142	70.9 Å²	70.9	66%	0.664	35%	0.348	S	S	*	.	S	Bend	trans	-63.7	-27	173.7	-169.6	177.2	-179.1	0	0	111.7	Q15	Q15-E60 WeakPolarHBondContact CG-O 3.45Å; Q15-E60 PolarHBondContact NE2-O 2.93Å
61	I	82.9	Confident	87.4	Confident	26 Å²	26	60.5 Å²	60.5	13%	0.133	31%	0.31	C	S	.	.	S	Bend	trans	-109.1	138.6	177.3	-50.3	169.7	0	0	0	107.9	L18 L19 V22 F59 I63	L18-I61 HydrophobicContact CB-CD1 3.65Å; L18-I61 HydrophobicContact CB-CG1 3.91Å; L18-I61 HydrophobicContact CD1-CG1 4.41Å; L19-I61 HydrophobicContact CB-CG2 4.17Å; L19-I61 HydrophobicContact CD1-CG2 3.73Å; L19-I61 HydrophobicContact CG-CG2 3.49Å; L19-I61 VanDerWaalsContact CG-CG2 3.49Å; V22-I61 HydrophobicContact CG2-CD1 4.31Å; F59-I61 WeakPolarHBondContact CB-O 3.15Å; F59-I61 PolarHBondContact O-N 3.4Å; I61-I63 HydrophobicContact CB-CD1 3.94Å; I61-I63 HydrophobicContact CB-CG1 4Å; I61-I63 HydrophobicContact CD1-CD1 4.35Å; I61-I63 HydrophobicContact CG2-CD1 3.9Å; I61-I63 HydrophobicContact CG2-CG1 3.76Å; I61-I63 PolarHBondContact O-N 3.44Å
62	P	81.2	Confident	87.5	Confident	33 Å²	33	57.2 Å²	57.2	21%	0.214	29%	0.292	C	S	.	.			trans	-73.7	77.7	-179.3	31.5	-36.1	0	0	0	111.5	I11 L19 M54	I11-P62 HydrophobicContact CD1-CG 4.22Å; I11-P62 HydrophobicContact CG1-CG 4.43Å; L19-P62 HydrophobicContact CD1-CG 3.62Å; M54-P62 VanDerWaalsContact CE-C 3.44Å; M54-P62 HydrophobicContact CE-CB 3.64Å; M54-P62 WeakPolarHBondContact CE-O 3.46Å
63	I	86.4	Confident	87.5	Confident	27 Å²	27	56 Å²	56	14%	0.138	28%	0.281	C	S	.	.			trans	-111.2	140.4	179.2	-59.8	177.6	0	0	0	108.8	V22 T26 M54 F59 I61	V22-I63 HydrophobicContact CG1-CD1 4.22Å; T26-I63 WeakPolarHBondContact O-CG2 3.48Å; M54-I63 VanDerWaalsContact SD-C 3.51Å; F59-I63 WeakPolarHBondContact CD2-O 3.05Å; I61-I63 HydrophobicContact CB-CD1 3.94Å; I61-I63 HydrophobicContact CB-CG1 4Å; I61-I63 HydrophobicContact CD1-CD1 4.35Å; I61-I63 HydrophobicContact CG2-CD1 3.9Å; I61-I63 HydrophobicContact CG2-CG1 3.76Å; I61-I63 PolarHBondContact O-N 3.44Å
64	P	90.6	Very high	87.3	Confident	36 Å²	36	53.7 Å²	53.7	23%	0.234	27%	0.267	C	S	.	.			trans	-72.4	136.1	179.4	30.9	-36.5	0	0	0	111.1	E27 G28 A52 M54	E27-P64 HydrophobicContact CG-CG 4.5Å; G28-P64 PolarHBondContact N-O 3.3Å; A52-P64 HydrophobicContact CB-CB 3.8Å; A52-P64 HydrophobicContact CB-CG 4.19Å; M54-P64 HydrophobicContact CG-CB 4.45Å; M54-P64 VanDerWaalsContact SD-CA 3.56Å; M54-P64 HydrophobicContact SD-CB 3.86Å; M54-P64 HydrophobicContact SD-CG 4.5Å; M54-P64 VanDerWaalsContact SD-N 3.37Å
65	L	92.3	Very high	87.1	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	132.4	175.6	-177.7	72.4	0	0	0	110.2	C30 L49 A52 T53 M55 L58 F59 F67 L68	C30-L65 HydrophobicContact CB-CD1 3.69Å; L49-L65 HydrophobicContact CD1-CB 4.39Å; L49-L65 HydrophobicContact CD1-CD2 4.04Å; L49-L65 HydrophobicContact CD1-CG 4.13Å; L49-L65 WeakPolarHBondContact CD1-O 3.24Å; A52-L65 CarbonylContact C-O 3.57Å; A52-L65 VanDerWaalsContact CA-O 3.25Å; A52-L65 WeakPolarHBondContact CA-O 3.15Å; T53-L65 PolarHBondContact N-O 2.76Å; T53-L65 PolarHBondContact O-N 3.46Å; M55-L65 HydrophobicContact CE-CD2 3.32Å; M55-L65 HydrophobicContact CG-CB 4.38Å; M55-L65 HydrophobicContact CG-CD2 4.27Å; L58-L65 HydrophobicContact CD2-CB 4.27Å; L58-L65 HydrophobicContact CD2-CD1 3.85Å; L58-L65 HydrophobicContact CD2-CD2 3.72Å; L58-L65 HydrophobicContact CD2-CG 4.17Å; F59-L65 HydrophobicContact CE2-CB 4.03Å; F59-L65 HydrophobicContact CE2-CD1 3.75Å; F59-L65 HydrophobicContact CZ-CD1 3.51Å; L65-F67 VanDerWaalsContact CD1-O 3.31Å; L65-F67 WeakPolarHBondContact CD1-O 3.49Å; L65-L68 HydrophobicContact CD2-CD1 4.29Å
66	R	93	Very high	86.6	Confident	40 Å²	40	59.9 Å²	59.9	15%	0.151	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	-45.1	173.9	-177.3	67.6	177.2	-180	7.8	113.5	E27 G28 L49 R50 A52 Y103	E27-R66 HydrophobicContact CB-CB 3.87Å; E27-R66 VanDerWaalsContact OE2-CB 3.24Å; E27-R66 WeakPolarHBondContact OE2-CB 3.31Å; E27-R66 WeakPolarHBondContact OE2-CD 3.42Å; E27-R66 WeakPolarHBondContact OE2-CG 3.3Å; E27-R66 IonicContact OE2-NE 3.8Å; G28-R66 PolarHBondContact O-N 3.17Å; L49-R66 PolarHBondContact N-O 3.43Å; L49-R66 PolarHBondContact O-NE 3.48Å; L49-R66 PolarHBondContact O-NH1 2.97Å; L49-R66 VanDerWaalsContact O-NH1 3.17Å; L49-R66 PolarHBondContact O-NH2 3.39Å; R50-R66 VanDerWaalsContact C-NH1 3.27Å; R50-R66 PolarHBondContact O-NH1 2.96Å; R50-R66 PolarHBondContact O-NH2 2.96Å; A52-R66 HydrophobicContact CB-CB 4.48Å; R66-Y103 HydrophobicContact CG-CE1 3.91Å
67	F	93.6	Very high	86	Confident	8 Å²	8	54.2 Å²	54.2	4%	0.035	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	139.1	-174.6	-56.7	-73.2	0	0	0	111	G28 A29 C30 F46 R48 L65 F93 C102 Y103	G28-F67 PolarHBondContact O-N 3.42Å; A29-F67 CarbonylContact C-O 3.59Å; A29-F67 VanDerWaalsContact CA-O 3.3Å; A29-F67 WeakPolarHBondContact CA-O 2.9Å; A29-F67 HydrophobicContact CB-CB 4Å; C30-F67 PolarHBondContact N-O 2.84Å; F46-F67 HydrophobicContact CE1-CD1 4.22Å; F46-F67 HydrophobicContact CZ-CB 4.35Å; F46-F67 AromaticContact CZ-CD1 3.68Å; F46-F67 HydrophobicContact CZ-CD1 3.68Å; F46-F67 HydrophobicContact CZ-CE1 4.38Å; F46-F67 HydrophobicContact CZ-CG 4.31Å; R48-F67 HydrophobicContact CB-CD1 4.15Å; R48-F67 HydrophobicContact CB-CE1 4.25Å; R48-F67 HydrophobicContact CG-CD1 3.97Å; R48-F67 HydrophobicContact CG-CE1 3.66Å; L65-F67 VanDerWaalsContact CD1-O 3.31Å; L65-F67 WeakPolarHBondContact CD1-O 3.49Å; F67-F93 HydrophobicContact CB-CE1 3.86Å; F67-F93 HydrophobicContact CB-CZ 4.28Å; F67-F93 HydrophobicContact CG-CE1 4.38Å; F67-C102 HydrophobicContact CD1-CB 4.13Å; F67-C102 HydrophobicContact CE1-CB 3.59Å; F67-C102 HydrophobicContact CE2-CB 4.35Å; F67-C102 HydrophobicContact CZ-CB 3.71Å; F67-Y103 HydrophobicContact CE2-CD1 4.38Å; F67-Y103 HydrophobicContact CE2-CD2 4.21Å; F67-Y103 AromaticContact CE2-CE1 3.86Å; F67-Y103 HydrophobicContact CE2-CE1 3.86Å; F67-Y103 AromaticContact CE2-CE2 3.66Å; F67-Y103 HydrophobicContact CE2-CE2 3.66Å; F67-Y103 AromaticContact CE2-CZ 3.46Å; F67-Y103 VanDerWaalsContact CE2-CZ 3.46Å; F67-Y103 AromaticContact CZ-CD1 3.71Å; F67-Y103 HydrophobicContact CZ-CD1 3.71Å; F67-Y103 AromaticContact CZ-CD2 3.87Å; F67-Y103 HydrophobicContact CZ-CD2 3.87Å; F67-Y103 AromaticContact CZ-CE1 3.63Å; F67-Y103 HydrophobicContact CZ-CE1 3.63Å; F67-Y103 AromaticContact CZ-CE2 3.78Å; F67-Y103 HydrophobicContact CZ-CE2 3.78Å; F67-Y103 AromaticContact CZ-CG 3.82Å; F67-Y103 HydrophobicContact CZ-CG 3.82Å; F67-Y103 AromaticContact CZ-CZ 3.65Å
68	L	92.6	Very high	85.6	Confident	26 Å²	26	49.9 Å²	49.9	14%	0.136	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	131.3	177.9	-172.4	76.8	0	0	0	109.5	C30 F32 V47 L65 V70	C30-L68 HydrophobicContact CB-CD1 3.95Å; C30-L68 WeakPolarHBondContact O-CA 3.41Å; F32-L68 HydrophobicContact CD2-CD1 3.32Å; F32-L68 HydrophobicContact CD2-CD2 4.15Å; F32-L68 HydrophobicContact CD2-CG 4.06Å; F32-L68 HydrophobicContact CE2-CD1 3.3Å; F32-L68 HydrophobicContact CE2-CD2 4.3Å; F32-L68 HydrophobicContact CE2-CG 4.32Å; F32-L68 HydrophobicContact CG-CD1 4.44Å; F32-L68 HydrophobicContact CZ-CD1 4.41Å; V47-L68 HydrophobicContact CB-CB 4.19Å; V47-L68 PolarHBondContact N-O 3.23Å; V47-L68 PolarHBondContact O-N 3.31Å; L65-L68 HydrophobicContact CD2-CD1 4.29Å; L68-V70 HydrophobicContact CD2-CG2 3.73Å; L68-V70 HydrophobicContact CG-CG2 4.01Å
69	F	93.8	Very high	85.1	Confident	21 Å²	21	52.5 Å²	52.5	9%	0.092	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	127	169.5	-178.4	-102	0	0	0	108.8	C30 V31 F32 T44 F46 L71 I85 M89 F93	C30-F69 PolarHBondContact O-N 2.6Å; V31-F69 CarbonylContact C-O 3.59Å; V31-F69 WeakPolarHBondContact CA-O 3.36Å; V31-F69 HydrophobicContact CG1-CD1 3.93Å; V31-F69 HydrophobicContact CG2-CB 4.27Å; F32-F69 PolarHBondContact N-O 2.91Å; T44-F69 HydrophobicContact CG2-CZ 4.38Å; F46-F69 HydrophobicContact CB-CD2 4.5Å; F46-F69 HydrophobicContact CD2-CD2 4.42Å; F69-L71 HydrophobicContact CE1-CB 3.93Å; F69-I85 HydrophobicContact CE1-CG2 4.42Å; F69-M89 HydrophobicContact CB-CE 4.36Å; F69-M89 HydrophobicContact CD1-CE 4.37Å; F69-M89 HydrophobicContact CD1-CG 3.97Å; F69-M89 HydrophobicContact CD2-CE 3.77Å; F69-M89 HydrophobicContact CE1-CG 3.83Å; F69-M89 HydrophobicContact CE2-CE 4.09Å; F69-M89 HydrophobicContact CE2-SD 4.45Å; F69-M89 HydrophobicContact CG-CE 3.91Å; F69-M89 HydrophobicContact CG-CG 4.46Å; F69-M89 HydrophobicContact CZ-CG 4.21Å; F69-M89 HydrophobicContact CZ-SD 4.42Å; F69-F93 HydrophobicContact CB-CE2 4.27Å; F69-F93 HydrophobicContact CB-CZ 4.31Å
70	V	93.4	Very high	84.6	Confident	33 Å²	33	57.7 Å²	57.7	20%	0.2	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	127	179.7	-175.3	0	0	0	0	108.5	F32 T44 Q45 L68 L72	F32-V70 HydrophobicContact CB-CG2 4.43Å; F32-V70 HydrophobicContact CD2-CG2 4.45Å; F32-V70 CarbonylContact O-C 3.4Å; F32-V70 WeakPolarHBondContact O-CA 3.39Å; T44-V70 CarbonylContact C-O 3.57Å; T44-V70 VanDerWaalsContact CA-O 3.31Å; T44-V70 WeakPolarHBondContact CA-O 3.25Å; Q45-V70 PolarHBondContact N-O 3.39Å; Q45-V70 PolarHBondContact O-N 3.29Å; L68-V70 HydrophobicContact CD2-CG2 3.73Å; L68-V70 HydrophobicContact CG-CG2 4.01Å; V70-L72 HydrophobicContact CG1-CD2 4.28Å; V70-L72 HydrophobicContact CG1-CG 4.24Å
71	L	91.9	Very high	84.5	Confident	5 Å²	5	55.5 Å²	55.5	3%	0.026	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	116.2	175.3	169.2	65.8	0	0	0	108.5	F32 I33 G34 T44 F69 V73 A82 I85	F32-L71 PolarHBondContact O-N 2.88Å; I33-L71 CarbonylContact C-O 3.54Å; I33-L71 VanDerWaalsContact CA-O 3.27Å; I33-L71 WeakPolarHBondContact CA-O 3.49Å; I33-L71 HydrophobicContact CD1-CD2 4.35Å; I33-L71 HydrophobicContact CG1-CB 4.32Å; I33-L71 HydrophobicContact CG1-CD2 4.23Å; G34-L71 PolarHBondContact N-O 2.91Å; T44-L71 HydrophobicContact CG2-CD1 3.42Å; T44-L71 VanDerWaalsContact CG2-CD1 3.42Å; F69-L71 HydrophobicContact CE1-CB 3.93Å; L71-V73 HydrophobicContact CD1-CG1 3.66Å; L71-V73 HydrophobicContact CD2-CG1 4.35Å; L71-V73 HydrophobicContact CG-CG1 3.91Å; L71-A82 HydrophobicContact CD2-CB 4.4Å; L71-I85 HydrophobicContact CD2-CB 4.01Å; L71-I85 HydrophobicContact CD2-CD1 3.99Å; L71-I85 HydrophobicContact CD2-CG2 3.82Å
72	L	91.5	Very high	84.5	Confident	45 Å²	45	54.5 Å²	54.5	24%	0.236	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	122.3	172.6	-56.4	177.8	0	0	0	108.3	G34 P36 I39 P42 F43 V70	G34-L72 WeakPolarHBondContact O-CA 3.37Å; P36-L72 HydrophobicContact CG-CB 4.33Å; I39-L72 HydrophobicContact CD1-CB 4.04Å; I39-L72 HydrophobicContact CD1-CD1 3.86Å; P42-L72 CarbonylContact C-O 3.58Å; P42-L72 VanDerWaalsContact CA-O 3.27Å; P42-L72 WeakPolarHBondContact CA-O 3.12Å; F43-L72 HydrophobicContact CB-CB 4.33Å; F43-L72 HydrophobicContact CD1-CD1 4.07Å; F43-L72 HydrophobicContact CD1-CG 4.42Å; F43-L72 PolarHBondContact N-O 3.07Å; F43-L72 PolarHBondContact O-N 3.36Å; V70-L72 HydrophobicContact CG1-CD2 4.28Å; V70-L72 HydrophobicContact CG1-CG 4.24Å
73	V	89.5	Confident	84.6	Confident	7 Å²	7	56.8 Å²	56.8	4%	0.042	27%	0.274	C	S	.	.			trans	-119.6	144.8	179.6	-63.9	0	0	0	0	110.8	G34 R35 P42 L71 H77 A82	G34-V73 PolarHBondContact O-N 3.43Å; R35-V73 WeakPolarHBondContact CA-O 3.31Å; R35-V73 HydrophobicContact CG-CG2 3.66Å; P42-V73 HydrophobicContact CB-CG1 4.23Å; L71-V73 HydrophobicContact CD1-CG1 3.66Å; L71-V73 HydrophobicContact CD2-CG1 4.35Å; L71-V73 HydrophobicContact CG-CG1 3.91Å; V73-H77 HydrophobicContact CB-CB 4.17Å; V73-H77 HydrophobicContact CG2-CB 4.36Å; V73-A82 HydrophobicContact CG2-CB 4.21Å
74	P	86.6	Confident	84.4	Confident	13 Å²	13	57.6 Å²	57.6	8%	0.084	29%	0.285	C	S	.	.			trans	-59	153.4	171.1	24.2	-34.2	0	0	0	111	I39 E76 H77	I39-P74 WeakPolarHBondContact O-CB 3.46Å; P74-E76 PolarHBondContact O-N 3.39Å; P74-E76 VanDerWaalsContact O-N 3.13Å; P74-H77 PolarHBondContact O-N 2.89Å; P74-H77 VanDerWaalsContact O-N 3.07Å
75	K	80	Confident	84.2	Confident	138 Å²	138	59.4 Å²	59.4	60%	0.6	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-21	178.8	-86	-179.1	162.2	170.8	0	114.2	D37 H77	D37-K75 WeakPolarHBondContact OD1-CD 3.46Å; D37-K75 WeakPolarHBondContact OD1-CE 3.43Å; D37-K75 IonicContact OD1-NZ 3.89Å; D37-K75 PolarHBondContact OD1-NZ 2.79Å; D37-K75 IonicContact OD2-NZ 2.84Å; K75-H77 VanDerWaalsContact C-N 3.27Å; K75-H77 PolarHBondContact O-N 3.49Å
76	E	73.8	Confident	83.9	Confident	188 Å²	188	60.5 Å²	60.5	88%	0.879	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-20.6	177	-62.8	178.6	-177.1	0	0	112.9	P74	P74-E76 PolarHBondContact O-N 3.39Å; P74-E76 VanDerWaalsContact O-N 3.13Å
77	H	67.7	Low	83.5	Confident	79 Å²	79	65.8 Å²	65.8	37%	0.366	32%	0.321	S	S	.	.	S	Bend	trans	-71	142.9	177.7	-104.5	-66	0	0	0	112.3	V73 P74 K75 E79 E81	V73-H77 HydrophobicContact CB-CB 4.17Å; V73-H77 HydrophobicContact CG2-CB 4.36Å; P74-H77 PolarHBondContact O-N 2.89Å; P74-H77 VanDerWaalsContact O-N 3.07Å; K75-H77 VanDerWaalsContact C-N 3.27Å; K75-H77 PolarHBondContact O-N 3.49Å; H77-E79 PolarHBondContact O-N 3.02Å; H77-E81 IonicContact CE1-OE2 2.66Å; H77-E81 IonicContact ND1-OE2 3.89Å; H77-E81 PolarHBondContact ND1-OE2 2.86Å
78	V	69.6	Low	83.2	Confident	80 Å²	80	69.2 Å²	69.2	49%	0.485	35%	0.345	S	S	.	.			trans	-68.4	119.6	178.9	-175	0	0	0	0	109.5	K80 E81	V78-K80 HydrophobicContact CG1-CB 4.18Å; V78-K80 PolarHBondContact O-N 3.21Å; V78-E81 HydrophobicContact CB-CG 4.04Å; V78-E81 WeakPolarHBondContact O-CB 3.43Å; V78-E81 PolarHBondContact O-N 2.96Å
79	E	72.3	Confident	83.1	Confident	99 Å²	99	68.9 Å²	68.9	46%	0.463	34%	0.343	S	S	.	.	H	α-helix	trans	-48.2	-38.4	-179.2	173.2	163.6	-131.1	0	0	113.7	R35 H77 E81 A82 E83	R35-E79 IonicContact CZ-OE1 3.15Å; R35-E79 VanDerWaalsContact CZ-OE1 3.3Å; R35-E79 IonicContact NH1-OE1 2.73Å; R35-E79 PolarHBondContact NH1-OE1 2.79Å; R35-E79 IonicContact NH1-OE2 3.63Å; R35-E79 IonicContact NH2-OE1 2.94Å; R35-E79 PolarHBondContact NH2-OE1 3.01Å; H77-E79 PolarHBondContact O-N 3.02Å; E79-E81 VanDerWaalsContact C-N 3.25Å; E79-E81 PolarHBondContact O-N 3.03Å; E79-A82 PolarHBondContact O-N 2.79Å; E79-E83 PolarHBondContact O-N 2.89Å; E79-E83 VanDerWaalsContact O-N 3.14Å
80	K	72.8	Confident	82.8	Confident	165 Å²	165	69.2 Å²	69.2	72%	0.717	35%	0.352	S	S	*	.	H	α-helix	trans	-62	-29.4	178.4	-64.7	-177.4	179.2	176.2	0	113.5	V78 A84	V78-K80 HydrophobicContact CG1-CB 4.18Å; V78-K80 PolarHBondContact O-N 3.21Å; K80-A84 WeakPolarHBondContact O-CB 3.36Å; K80-A84 PolarHBondContact O-N 2.78Å
81	E	78.4	Confident	82.5	Confident	96 Å²	96	71.4 Å²	71.4	45%	0.449	37%	0.366	S	S	.	.	H	α-helix	trans	-73.3	-44.8	178.8	-65.4	174.7	168	0	0	111	H77 V78 E79 E83 A84 I85	H77-E81 IonicContact CE1-OE2 2.66Å; H77-E81 IonicContact ND1-OE2 3.89Å; H77-E81 PolarHBondContact ND1-OE2 2.86Å; V78-E81 HydrophobicContact CB-CG 4.04Å; V78-E81 WeakPolarHBondContact O-CB 3.43Å; V78-E81 PolarHBondContact O-N 2.96Å; E79-E81 VanDerWaalsContact C-N 3.25Å; E79-E81 PolarHBondContact O-N 3.03Å; E81-E83 VanDerWaalsContact C-N 3.34Å; E81-E83 PolarHBondContact O-N 3.44Å; E81-A84 WeakPolarHBondContact O-CB 3.12Å; E81-A84 PolarHBondContact O-N 3.26Å; E81-A84 VanDerWaalsContact O-N 3.14Å; E81-I85 WeakPolarHBondContact O-CG1 3.38Å; E81-I85 PolarHBondContact O-N 2.86Å
82	A	83.3	Confident	82.4	Confident	4 Å²	4	71.7 Å²	71.7	3%	0.033	37%	0.368	C	S	.	.	H	α-helix	trans	-61.8	-44.4	177.2	0	0	0	0	0	110.9	I33 L71 V73 E79 A84 I85 A86	I33-A82 HydrophobicContact CD1-CB 4.41Å; I33-A82 WeakPolarHBondContact CD1-O 3.25Å; I33-A82 HydrophobicContact CG2-CB 3.9Å; L71-A82 HydrophobicContact CD2-CB 4.4Å; V73-A82 HydrophobicContact CG2-CB 4.21Å; E79-A82 PolarHBondContact O-N 2.79Å; A82-A84 VanDerWaalsContact C-N 3.32Å; A82-A84 PolarHBondContact O-N 2.88Å; A82-I85 PolarHBondContact O-N 3.38Å; A82-A86 PolarHBondContact O-N 3.01Å
83	E	82.8	Confident	82.4	Confident	81 Å²	81	70.9 Å²	70.9	38%	0.379	36%	0.362	S	S	.	.	H	α-helix	trans	-60.4	-40.1	173.4	-73.3	-171.5	-171.4	0	0	112.9	E79 E81 I85 A86 R87	E79-E83 PolarHBondContact O-N 2.89Å; E79-E83 VanDerWaalsContact O-N 3.14Å; E81-E83 VanDerWaalsContact C-N 3.34Å; E81-E83 PolarHBondContact O-N 3.44Å; E83-I85 VanDerWaalsContact C-N 3.33Å; E83-I85 PolarHBondContact O-N 2.67Å; E83-A86 WeakPolarHBondContact O-CB 3.34Å; E83-A86 PolarHBondContact O-N 3.29Å; E83-R87 WeakPolarHBondContact O-CG 3.27Å; E83-R87 PolarHBondContact O-N 3.37Å; E83-R87 IonicContact OE2-NH2 3.63Å; E83-R87 PolarHBondContact OE2-NH2 2.88Å
84	A	82.2	Confident	82.1	Confident	45 Å²	45	77.4 Å²	77.4	37%	0.372	40%	0.395	S	S	.	.	H	α-helix	trans	-62.1	-42.1	176.3	0	0	0	0	0	111.1	K80 E81 A82 A86 R87 C88	K80-A84 WeakPolarHBondContact O-CB 3.36Å; K80-A84 PolarHBondContact O-N 2.78Å; E81-A84 WeakPolarHBondContact O-CB 3.12Å; E81-A84 PolarHBondContact O-N 3.26Å; E81-A84 VanDerWaalsContact O-N 3.14Å; A82-A84 VanDerWaalsContact C-N 3.32Å; A82-A84 PolarHBondContact O-N 2.88Å; A84-A86 VanDerWaalsContact C-N 3.33Å; A84-A86 PolarHBondContact O-N 2.89Å; A84-R87 PolarHBondContact O-N 3.36Å; A84-C88 PolarHBondContact O-N 3.37Å; A84-C88 PolarHBondContact O-SG 2.83Å
85	I	86.4	Confident	82	Confident	73 Å²	73	77.7 Å²	77.7	37%	0.374	40%	0.396	S	S	.	.	H	α-helix	trans	-60.3	-43.1	174.6	-64.4	163.9	0	0	0	110.6	F69 L71 E81 A82 E83 R87 C88 M89	F69-I85 HydrophobicContact CE1-CG2 4.42Å; L71-I85 HydrophobicContact CD2-CB 4.01Å; L71-I85 HydrophobicContact CD2-CD1 3.99Å; L71-I85 HydrophobicContact CD2-CG2 3.82Å; E81-I85 WeakPolarHBondContact O-CG1 3.38Å; E81-I85 PolarHBondContact O-N 2.86Å; A82-I85 PolarHBondContact O-N 3.38Å; E83-I85 VanDerWaalsContact C-N 3.33Å; E83-I85 PolarHBondContact O-N 2.67Å; I85-R87 PolarHBondContact O-N 3.14Å; I85-C88 PolarHBondContact O-N 3Å; I85-M89 HydrophobicContact CG2-CG 4.37Å; I85-M89 WeakPolarHBondContact O-CG 3.45Å; I85-M89 PolarHBondContact O-N 2.92Å
86	A	86	Confident	82.1	Confident	25 Å²	25	77 Å²	77	21%	0.207	40%	0.395	C	S	.	.	H	α-helix	trans	-59.1	-44.4	175	0	0	0	0	0	112.8	V31 I33 A82 E83 A84 C88 M89 G90	V31-A86 HydrophobicContact CG1-CB 3.89Å; I33-A86 HydrophobicContact CD1-CB 3.29Å; I33-A86 HydrophobicContact CG1-CB 4.32Å; A82-A86 PolarHBondContact O-N 3.01Å; E83-A86 WeakPolarHBondContact O-CB 3.34Å; E83-A86 PolarHBondContact O-N 3.29Å; A84-A86 VanDerWaalsContact C-N 3.33Å; A84-A86 PolarHBondContact O-N 2.89Å; A86-C88 VanDerWaalsContact C-N 3.34Å; A86-M89 PolarHBondContact O-N 2.85Å; A86-G90 PolarHBondContact O-N 2.77Å
87	R	85	Confident	82.4	Confident	151 Å²	151	69 Å²	69	57%	0.57	36%	0.359	S	S	*	.	H	α-helix	trans	-64.9	-39.3	178.3	-66.9	177	-155.4	163.8	8.4	111.6	E83 A84 I85 G90 T91	E83-R87 WeakPolarHBondContact O-CG 3.27Å; E83-R87 PolarHBondContact O-N 3.37Å; E83-R87 IonicContact OE2-NH2 3.63Å; E83-R87 PolarHBondContact OE2-NH2 2.88Å; A84-R87 PolarHBondContact O-N 3.36Å; I85-R87 PolarHBondContact O-N 3.14Å; R87-G90 PolarHBondContact O-N 3.38Å; R87-T91 PolarHBondContact O-N 3.36Å; R87-T91 PolarHBondContact O-OG1 3.48Å
88	C	87.4	Confident	83.3	Confident	79 Å²	79	65.5 Å²	65.5	53%	0.534	34%	0.343	S	S	.	.	H	α-helix	trans	-62.8	-48	174.2	-69.4	0	0	0	0	111.4	A84 I85 A86 G90 T91 L92	A84-C88 PolarHBondContact O-N 3.37Å; A84-C88 PolarHBondContact O-SG 2.83Å; I85-C88 PolarHBondContact O-N 3Å; A86-C88 VanDerWaalsContact C-N 3.34Å; C88-G90 VanDerWaalsContact C-N 3.33Å; C88-G90 PolarHBondContact O-N 2.97Å; C88-T91 PolarHBondContact O-N 2.93Å; C88-L92 PolarHBondContact O-N 2.76Å
89	M	90.3	Very high	84.1	Confident	19 Å²	19	63.3 Å²	63.3	9%	0.094	33%	0.331	C	S	.	.	H	α-helix	trans	-63.1	-37.9	176.9	-73.2	-58	-60.7	0	0	112.4	V31 F69 I85 A86 L92 F93	V31-M89 HydrophobicContact CG2-CB 3.98Å; F69-M89 HydrophobicContact CB-CE 4.36Å; F69-M89 HydrophobicContact CD1-CE 4.37Å; F69-M89 HydrophobicContact CD1-CG 3.97Å; F69-M89 HydrophobicContact CD2-CE 3.77Å; F69-M89 HydrophobicContact CE1-CG 3.83Å; F69-M89 HydrophobicContact CE2-CE 4.09Å; F69-M89 HydrophobicContact CE2-SD 4.45Å; F69-M89 HydrophobicContact CG-CE 3.91Å; F69-M89 HydrophobicContact CG-CG 4.46Å; F69-M89 HydrophobicContact CZ-CG 4.21Å; F69-M89 HydrophobicContact CZ-SD 4.42Å; I85-M89 HydrophobicContact CG2-CG 4.37Å; I85-M89 WeakPolarHBondContact O-CG 3.45Å; I85-M89 PolarHBondContact O-N 2.92Å; A86-M89 PolarHBondContact O-N 2.85Å; M89-L92 WeakPolarHBondContact O-CB 3.47Å; M89-L92 PolarHBondContact O-N 3.15Å; M89-L92 HydrophobicContact SD-CD1 3.76Å; M89-F93 HydrophobicContact CE-CE2 4.13Å; M89-F93 HydrophobicContact CE-CZ 4.26Å; M89-F93 WeakPolarHBondContact O-CD2 3.35Å; M89-F93 PolarHBondContact O-N 3.37Å
90	G	88.9	Confident	84.8	Confident	28 Å²	28	63.7 Å²	63.7	29%	0.289	33%	0.331	S	S	.	.	H	α-helix	trans	-60.3	-45	173.6	0	0	0	0	0	112.2	A86 R87 C88 F93 I94	A86-G90 PolarHBondContact O-N 2.77Å; R87-G90 PolarHBondContact O-N 3.38Å; C88-G90 VanDerWaalsContact C-N 3.33Å; C88-G90 PolarHBondContact O-N 2.97Å; G90-F93 PolarHBondContact O-N 3.33Å; G90-I94 WeakPolarHBondContact O-CD1 3.08Å; G90-I94 WeakPolarHBondContact O-CG1 3.44Å; G90-I94 PolarHBondContact O-N 2.97Å
91	T	86.7	Confident	85.5	Confident	79 Å²	79	57.2 Å²	57.2	49%	0.485	31%	0.306	S	S	.	.	H	α-helix	trans	-63.2	-41.5	175.4	-49.4	0	0	0	0	111.7	R87 C88 F93 I94 D95 F118	R87-T91 PolarHBondContact O-N 3.36Å; R87-T91 PolarHBondContact O-OG1 3.48Å; C88-T91 PolarHBondContact O-N 2.93Å; T91-F93 PolarHBondContact O-N 3.41Å; T91-I94 PolarHBondContact O-N 3.21Å; T91-D95 PolarHBondContact O-N 3.44Å; T91-F118 HydrophobicContact CG2-CZ 4Å
92	L	90.3	Very high	86	Confident	12 Å²	12	52.7 Å²	52.7	6%	0.063	28%	0.284	C	S	.	.	H	α-helix	trans	-59.3	-45.1	175.8	-83.5	163.7	0	0	0	112.1	C88 M89 I94 D95 F98 I115 F118	C88-L92 PolarHBondContact O-N 2.76Å; M89-L92 WeakPolarHBondContact O-CB 3.47Å; M89-L92 PolarHBondContact O-N 3.15Å; M89-L92 HydrophobicContact SD-CD1 3.76Å; L92-I94 PolarHBondContact O-N 2.86Å; L92-D95 WeakPolarHBondContact O-CB 3.48Å; L92-D95 PolarHBondContact O-N 3.02Å; L92-F98 HydrophobicContact CB-CD1 3.93Å; L92-F98 HydrophobicContact CB-CE1 4.03Å; L92-F98 HydrophobicContact CD2-CD1 4.38Å; L92-F98 HydrophobicContact CD2-CD2 4.28Å; L92-F98 HydrophobicContact CD2-CG 4.16Å; L92-F98 VanDerWaalsContact O-CD1 3.25Å; L92-F98 WeakPolarHBondContact O-CD1 3.35Å; L92-I115 HydrophobicContact CD1-CG1 4.35Å; L92-I115 HydrophobicContact CD2-CG1 4.41Å; L92-F118 HydrophobicContact CD2-CB 3.81Å; L92-F118 HydrophobicContact CD2-CD1 3.28Å; L92-F118 HydrophobicContact CD2-CD2 4.11Å; L92-F118 HydrophobicContact CD2-CE1 3.78Å; L92-F118 HydrophobicContact CD2-CG 3.46Å; L92-F118 VanDerWaalsContact CD2-CG 3.46Å; L92-F118 HydrophobicContact CD2-CZ 4.38Å; L92-F118 HydrophobicContact CG-CD1 4.07Å; L92-F118 HydrophobicContact CG-CE1 4.08Å
93	F	90	Very high	86.2	Confident	28 Å²	28	57 Å²	57	12%	0.123	30%	0.3	C	S	.	.	H	α-helix	trans	-64.2	-26.6	179.4	-78.9	-57.2	0	0	0	114.3	A29 V31 F46 F67 F69 M89 G90 T91 D95 F98	A29-F93 HydrophobicContact CB-CB 4.2Å; A29-F93 HydrophobicContact CB-CD1 3.74Å; A29-F93 HydrophobicContact CB-CD2 3.94Å; A29-F93 HydrophobicContact CB-CE1 4.01Å; A29-F93 HydrophobicContact CB-CE2 4.2Å; A29-F93 HydrophobicContact CB-CG 3.71Å; A29-F93 HydrophobicContact CB-CZ 4.23Å; V31-F93 HydrophobicContact CG2-CD2 4.3Å; V31-F93 HydrophobicContact CG2-CE2 3.92Å; F46-F93 HydrophobicContact CD2-CZ 4.35Å; F46-F93 AromaticContact CE2-CE1 3.67Å; F46-F93 HydrophobicContact CE2-CE1 3.67Å; F46-F93 AromaticContact CE2-CZ 3.7Å; F46-F93 HydrophobicContact CE2-CZ 3.7Å; F46-F93 HydrophobicContact CZ-CE1 4.33Å; F67-F93 HydrophobicContact CB-CE1 3.86Å; F67-F93 HydrophobicContact CB-CZ 4.28Å; F67-F93 HydrophobicContact CG-CE1 4.38Å; F69-F93 HydrophobicContact CB-CE2 4.27Å; F69-F93 HydrophobicContact CB-CZ 4.31Å; M89-F93 HydrophobicContact CE-CE2 4.13Å; M89-F93 HydrophobicContact CE-CZ 4.26Å; M89-F93 WeakPolarHBondContact O-CD2 3.35Å; M89-F93 PolarHBondContact O-N 3.37Å; G90-F93 PolarHBondContact O-N 3.33Å; T91-F93 PolarHBondContact O-N 3.41Å; F93-D95 VanDerWaalsContact C-N 3.31Å; F93-F98 HydrophobicContact CD1-CE1 4.46Å
94	I	83.7	Confident	86.4	Confident	143 Å²	143	60.8 Å²	60.8	73%	0.733	32%	0.315	S	S	*	.	H	α-helix	trans	-76.5	-24.2	176.9	-64.7	164.7	0	0	0	110.7	G90 T91 L92 E96	G90-I94 WeakPolarHBondContact O-CD1 3.08Å; G90-I94 WeakPolarHBondContact O-CG1 3.44Å; G90-I94 PolarHBondContact O-N 2.97Å; T91-I94 PolarHBondContact O-N 3.21Å; L92-I94 PolarHBondContact O-N 2.86Å; I94-E96 PolarHBondContact O-N 2.87Å
95	D	84.9	Confident	86.6	Confident	19 Å²	19	59 Å²	59	10%	0.102	30%	0.3	C	S	.	.			trans	-65.7	128.2	-179.9	-178.2	68.1	0	0	0	112.1	T91 L92 F93 V97 F98 S99 F118 R148	T91-D95 PolarHBondContact O-N 3.44Å; L92-D95 WeakPolarHBondContact O-CB 3.48Å; L92-D95 PolarHBondContact O-N 3.02Å; F93-D95 VanDerWaalsContact C-N 3.31Å; D95-V97 VanDerWaalsContact C-N 3.28Å; D95-V97 PolarHBondContact O-N 3.31Å; D95-V97 WeakPolarHBondContact OD2-CA 3.49Å; D95-V97 VanDerWaalsContact OD2-CB 3.27Å; D95-V97 WeakPolarHBondContact OD2-CB 3.41Å; D95-V97 PolarHBondContact OD2-N 2.8Å; D95-F98 HydrophobicContact CB-CB 4.09Å; D95-F98 PolarHBondContact OD2-N 3.32Å; D95-S99 WeakPolarHBondContact O-CB 3.49Å; D95-S99 PolarHBondContact O-N 3.36Å; D95-F118 HydrophobicContact CB-CD2 3.87Å; D95-F118 HydrophobicContact CB-CE2 4Å; D95-R148 IonicContact OD1-CZ 2.6Å; D95-R148 IonicContact OD1-NH1 2.67Å; D95-R148 PolarHBondContact OD1-NH1 3.14Å; D95-R148 IonicContact OD1-NH2 3.3Å
96	E	81	Confident	86.6	Confident	124 Å²	124	66.2 Å²	66.2	58%	0.579	32%	0.323	S	S	*	.	H	α-helix	trans	-63.8	-32.5	-176.9	-65.7	-171.9	175.5	0	0	113.4	I94 K100	I94-E96 PolarHBondContact O-N 2.87Å; E96-K100 WeakPolarHBondContact O-CD 3.42Å; E96-K100 VanDerWaalsContact O-CG 3.26Å; E96-K100 WeakPolarHBondContact O-CG 3.47Å; E96-K100 PolarHBondContact O-N 3.36Å
97	V	80.5	Confident	86.6	Confident	21 Å²	21	68.5 Å²	68.5	13%	0.127	33%	0.332	C	S	.	.	H	α-helix	trans	-77.2	-51.9	-178.4	177.4	0	0	0	0	108.6	D95 S99 K100 V101 E117 R148 I150	D95-V97 VanDerWaalsContact C-N 3.28Å; D95-V97 PolarHBondContact O-N 3.31Å; D95-V97 WeakPolarHBondContact OD2-CA 3.49Å; D95-V97 VanDerWaalsContact OD2-CB 3.27Å; D95-V97 WeakPolarHBondContact OD2-CB 3.41Å; D95-V97 PolarHBondContact OD2-N 2.8Å; V97-S99 VanDerWaalsContact C-N 3.34Å; V97-S99 PolarHBondContact O-N 2.82Å; V97-K100 WeakPolarHBondContact O-CB 3.26Å; V97-K100 PolarHBondContact O-N 3.27Å; V97-K100 VanDerWaalsContact O-N 3.15Å; V97-V101 WeakPolarHBondContact O-CG2 3.32Å; V97-V101 PolarHBondContact O-N 3.4Å; V97-E117 HydrophobicContact CG1-CG 4.42Å; V97-R148 HydrophobicContact CG2-CB 4.12Å; V97-I150 HydrophobicContact CG1-CG1 4.16Å
98	F	87.7	Confident	86.7	Confident	4 Å²	4	63.5 Å²	63.5	2%	0.018	33%	0.328	C	S	.	.	H	α-helix	trans	-60.4	-43	178.7	-173	-105.2	0	0	0	112	L92 F93 D95 K100 V101 C102 I115	L92-F98 HydrophobicContact CB-CD1 3.93Å; L92-F98 HydrophobicContact CB-CE1 4.03Å; L92-F98 HydrophobicContact CD2-CD1 4.38Å; L92-F98 HydrophobicContact CD2-CD2 4.28Å; L92-F98 HydrophobicContact CD2-CG 4.16Å; L92-F98 VanDerWaalsContact O-CD1 3.25Å; L92-F98 WeakPolarHBondContact O-CD1 3.35Å; F93-F98 HydrophobicContact CD1-CE1 4.46Å; D95-F98 HydrophobicContact CB-CB 4.09Å; D95-F98 PolarHBondContact OD2-N 3.32Å; F98-K100 VanDerWaalsContact C-N 3.31Å; F98-K100 PolarHBondContact O-N 3.26Å; F98-V101 CarbonylContact O-C 3.56Å; F98-V101 WeakPolarHBondContact O-CA 3.42Å; F98-V101 WeakPolarHBondContact O-CB 3.17Å; F98-V101 PolarHBondContact O-N 3.36Å; F98-C102 WeakPolarHBondContact CE1-SG 3.38Å; F98-C102 PolarHBondContact O-N 3.37Å; F98-C102 PolarHBondContact O-SG 3.06Å; F98-I115 HydrophobicContact CD2-CG1 4.32Å; F98-I115 HydrophobicContact CE2-CD1 4.46Å; F98-I115 HydrophobicContact CE2-CG1 3.55Å; F98-I115 HydrophobicContact CZ-CG1 4.04Å
99	S	86.2	Confident	86.6	Confident	35 Å²	35	65 Å²	65	25%	0.245	33%	0.33	C	S	.	.	H	α-helix	trans	-55.7	-45.4	175	-178.9	0	0	0	0	111.7	D95 V97 V101 C102 Y103	D95-S99 WeakPolarHBondContact O-CB 3.49Å; D95-S99 PolarHBondContact O-N 3.36Å; V97-S99 VanDerWaalsContact C-N 3.34Å; V97-S99 PolarHBondContact O-N 2.82Å; S99-V101 VanDerWaalsContact C-N 3.34Å; S99-V101 PolarHBondContact O-N 3.49Å; S99-C102 WeakPolarHBondContact O-CB 3.36Å; S99-C102 PolarHBondContact O-N 2.99Å; S99-Y103 WeakPolarHBondContact O-CD2 3.14Å; S99-Y103 PolarHBondContact O-N 3.3Å
100	K	85.8	Confident	86.4	Confident	106 Å²	106	67.4 Å²	67.4	46%	0.461	34%	0.341	S	S	.	.	H	α-helix	trans	-64.1	-36.9	175.1	-73.8	168.4	-174.8	162.6	0	112.6	E96 V97 F98 Y103 K104 I150	E96-K100 WeakPolarHBondContact O-CD 3.42Å; E96-K100 VanDerWaalsContact O-CG 3.26Å; E96-K100 WeakPolarHBondContact O-CG 3.47Å; E96-K100 PolarHBondContact O-N 3.36Å; V97-K100 WeakPolarHBondContact O-CB 3.26Å; V97-K100 PolarHBondContact O-N 3.27Å; V97-K100 VanDerWaalsContact O-N 3.15Å; F98-K100 VanDerWaalsContact C-N 3.31Å; F98-K100 PolarHBondContact O-N 3.26Å; K100-Y103 PolarHBondContact O-N 2.94Å; K100-K104 PolarHBondContact O-N 3.36Å; K100-I150 HydrophobicContact CB-CD1 3.94Å; K100-I150 HydrophobicContact CD-CD1 3.57Å; K100-I150 HydrophobicContact CG-CD1 4.39Å
101	V	87.6	Confident	86.4	Confident	30 Å²	30	67.2 Å²	67.2	18%	0.182	33%	0.334	C	S	.	.	H	α-helix	trans	-62.1	-46.2	173.3	174.5	0	0	0	0	109.8	V97 F98 S99 Y103 K104 A105 E110	V97-V101 WeakPolarHBondContact O-CG2 3.32Å; V97-V101 PolarHBondContact O-N 3.4Å; F98-V101 CarbonylContact O-C 3.56Å; F98-V101 WeakPolarHBondContact O-CA 3.42Å; F98-V101 WeakPolarHBondContact O-CB 3.17Å; F98-V101 PolarHBondContact O-N 3.36Å; S99-V101 VanDerWaalsContact C-N 3.34Å; S99-V101 PolarHBondContact O-N 3.49Å; V101-Y103 VanDerWaalsContact C-N 3.28Å; V101-Y103 PolarHBondContact O-N 3.43Å; V101-K104 CarbonylContact O-C 3.47Å; V101-K104 PolarHBondContact O-N 2.88Å; V101-A105 VanDerWaalsContact O-CB 3.32Å; V101-A105 WeakPolarHBondContact O-CB 2.87Å; V101-A105 PolarHBondContact O-N 2.89Å; V101-E110 WeakPolarHBondContact CG1-O 3.43Å
102	C	89.1	Confident	86.4	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-56.2	-38.7	178.1	-64.2	0	0	0	0	113.4	F46 R48 F67 F98 S99 K104	F46-C102 HydrophobicContact CZ-CB 4.1Å; R48-C102 WeakPolarHBondContact CD-O 3.46Å; R48-C102 PolarHBondContact NH1-O 3.01Å; F67-C102 HydrophobicContact CD1-CB 4.13Å; F67-C102 HydrophobicContact CE1-CB 3.59Å; F67-C102 HydrophobicContact CE2-CB 4.35Å; F67-C102 HydrophobicContact CZ-CB 3.71Å; F98-C102 WeakPolarHBondContact CE1-SG 3.38Å; F98-C102 PolarHBondContact O-N 3.37Å; F98-C102 PolarHBondContact O-SG 3.06Å; S99-C102 WeakPolarHBondContact O-CB 3.36Å; S99-C102 PolarHBondContact O-N 2.99Å; C102-K104 VanDerWaalsContact C-N 3.33Å; C102-K104 PolarHBondContact O-N 3.22Å
103	Y	88.5	Confident	86	Confident	94 Å²	94	72.2 Å²	72.2	37%	0.369	36%	0.357	S	S	.	.	H	α-helix	trans	-68.7	-29.2	176.5	-76.5	-76.2	0	0	0	113.8	E27 R48 R66 F67 S99 K100 V101	E27-Y103 PolarHBondContact OE2-OH 2.83Å; R48-Y103 PolarHBondContact NH1-O 3.43Å; R66-Y103 HydrophobicContact CG-CE1 3.91Å; F67-Y103 HydrophobicContact CE2-CD1 4.38Å; F67-Y103 HydrophobicContact CE2-CD2 4.21Å; F67-Y103 AromaticContact CE2-CE1 3.86Å; F67-Y103 HydrophobicContact CE2-CE1 3.86Å; F67-Y103 AromaticContact CE2-CE2 3.66Å; F67-Y103 HydrophobicContact CE2-CE2 3.66Å; F67-Y103 AromaticContact CE2-CZ 3.46Å; F67-Y103 VanDerWaalsContact CE2-CZ 3.46Å; F67-Y103 AromaticContact CZ-CD1 3.71Å; F67-Y103 HydrophobicContact CZ-CD1 3.71Å; F67-Y103 AromaticContact CZ-CD2 3.87Å; F67-Y103 HydrophobicContact CZ-CD2 3.87Å; F67-Y103 AromaticContact CZ-CE1 3.63Å; F67-Y103 HydrophobicContact CZ-CE1 3.63Å; F67-Y103 AromaticContact CZ-CE2 3.78Å; F67-Y103 HydrophobicContact CZ-CE2 3.78Å; F67-Y103 AromaticContact CZ-CG 3.82Å; F67-Y103 HydrophobicContact CZ-CG 3.82Å; F67-Y103 AromaticContact CZ-CZ 3.65Å; S99-Y103 WeakPolarHBondContact O-CD2 3.14Å; S99-Y103 PolarHBondContact O-N 3.3Å; K100-Y103 PolarHBondContact O-N 2.94Å; V101-Y103 VanDerWaalsContact C-N 3.28Å; V101-Y103 PolarHBondContact O-N 3.43Å
104	K	86.5	Confident	85.8	Confident	161 Å²	161	71 Å²	71	70%	0.7	35%	0.354	S	S	*	.	H	α-helix	trans	-101	-20.8	-174.5	-67.4	-177.4	179.8	-177.9	0	113.9	K100 V101 C102 R106	K100-K104 PolarHBondContact O-N 3.36Å; V101-K104 CarbonylContact O-C 3.47Å; V101-K104 PolarHBondContact O-N 2.88Å; C102-K104 VanDerWaalsContact C-N 3.33Å; C102-K104 PolarHBondContact O-N 3.22Å; K104-R106 PolarHBondContact O-N 3Å
105	A	87.2	Confident	86	Confident	7 Å²	7	66.7 Å²	66.7	6%	0.058	33%	0.331	C	S	.	.			trans	-53.7	130.1	-173.9	0	0	0	0	0	111.7	R48 V101 E110 L111	R48-A105 VanDerWaalsContact CZ-O 3.28Å; R48-A105 PolarHBondContact NH1-O 3.18Å; R48-A105 PolarHBondContact NH2-O 3.45Å; V101-A105 VanDerWaalsContact O-CB 3.32Å; V101-A105 WeakPolarHBondContact O-CB 2.87Å; V101-A105 PolarHBondContact O-N 2.89Å; A105-E110 WeakPolarHBondContact CA-OE2 3.25Å; A105-E110 HydrophobicContact CB-CB 4.29Å; A105-L111 HydrophobicContact CB-CD2 3.81Å; A105-L111 HydrophobicContact CB-CG 3.82Å
106	R	85.9	Confident	85.9	Confident	225 Å²	225	70.7 Å²	70.7	85%	0.849	35%	0.353	S	S	*	.			trans	-98.3	-31.7	176.1	-64	-178.5	178.9	-173.5	0.7	111.7	K104 E110	K104-R106 PolarHBondContact O-N 3Å; R106-E110 PolarHBondContact N-OE2 3.02Å
107	D	86.2	Confident	85.9	Confident	74 Å²	74	69 Å²	69	40%	0.396	35%	0.345	S	S	.	.	S	Bend	trans	-137.2	176.2	-177.9	68.3	1.6	0	0	0	112.1	N109 E110	D107-N109 VanDerWaalsContact C-N 3.28Å; D107-N109 PolarHBondContact OD1-N 3.28Å; D107-E110 WeakPolarHBondContact OD1-CB 3.46Å; D107-E110 VanDerWaalsContact OD1-CG 3.31Å; D107-E110 WeakPolarHBondContact OD1-CG 3.42Å; D107-E110 PolarHBondContact OD1-N 3Å
108	G	85.6	Confident	86.1	Confident	46 Å²	46	70 Å²	70	47%	0.474	35%	0.347	S	S	.	.	H	α-helix	trans	-69.1	-25.9	177	0	0	0	0	0	113.4	L111 C112	G108-L111 WeakPolarHBondContact O-CB 3.27Å; G108-L111 PolarHBondContact O-N 3.23Å; G108-C112 PolarHBondContact O-N 2.93Å; G108-C112 PolarHBondContact O-SG 3.42Å; G108-C112 VanDerWaalsContact O-SG 3.33Å
109	N	85.2	Confident	85.8	Confident	110 Å²	110	74.3 Å²	74.3	59%	0.588	37%	0.37	S	S	*	.	H	α-helix	trans	-69.6	-40.8	-178.7	-67.7	-28.8	0	0	0	111.7	D107 L111 C112 Q113	D107-N109 VanDerWaalsContact C-N 3.28Å; D107-N109 PolarHBondContact OD1-N 3.28Å; N109-L111 VanDerWaalsContact C-N 3.27Å; N109-L111 PolarHBondContact O-N 2.94Å; N109-C112 WeakPolarHBondContact O-CB 3.38Å; N109-C112 PolarHBondContact O-N 3.44Å; N109-Q113 WeakPolarHBondContact O-CG 3.49Å; N109-Q113 PolarHBondContact O-N 3.2Å
110	E	87	Confident	85.1	Confident	69 Å²	69	76.7 Å²	76.7	32%	0.322	39%	0.387	S	S	.	.	H	α-helix	trans	-62.8	-35.4	174.1	-74	175.5	-178.8	0	0	111.8	V101 A105 R106 D107 Q113 G114	V101-E110 WeakPolarHBondContact CG1-O 3.43Å; A105-E110 WeakPolarHBondContact CA-OE2 3.25Å; A105-E110 HydrophobicContact CB-CB 4.29Å; R106-E110 PolarHBondContact N-OE2 3.02Å; D107-E110 WeakPolarHBondContact OD1-CB 3.46Å; D107-E110 VanDerWaalsContact OD1-CG 3.31Å; D107-E110 WeakPolarHBondContact OD1-CG 3.42Å; D107-E110 PolarHBondContact OD1-N 3Å; E110-Q113 PolarHBondContact O-N 3.44Å; E110-G114 PolarHBondContact O-N 3.47Å
111	L	88.2	Confident	84.3	Confident	25 Å²	25	77 Å²	77	13%	0.131	39%	0.39	C	S	.	.	H	α-helix	trans	-65.4	-45	172.5	-70.5	169.3	0	0	0	111.2	F46 A105 G108 N109 Q113 G114 I115	F46-L111 HydrophobicContact CB-CD1 4.35Å; F46-L111 HydrophobicContact CD1-CD1 3.51Å; F46-L111 HydrophobicContact CE1-CD1 3.89Å; F46-L111 HydrophobicContact CE1-CD2 4.18Å; F46-L111 HydrophobicContact CG-CD1 3.95Å; F46-L111 HydrophobicContact CZ-CD2 4.31Å; A105-L111 HydrophobicContact CB-CD2 3.81Å; A105-L111 HydrophobicContact CB-CG 3.82Å; G108-L111 WeakPolarHBondContact O-CB 3.27Å; G108-L111 PolarHBondContact O-N 3.23Å; N109-L111 VanDerWaalsContact C-N 3.27Å; N109-L111 PolarHBondContact O-N 2.94Å; L111-Q113 VanDerWaalsContact C-N 3.34Å; L111-Q113 PolarHBondContact O-N 3.02Å; L111-G114 WeakPolarHBondContact O-CA 3.35Å; L111-G114 PolarHBondContact O-N 3.13Å; L111-G114 VanDerWaalsContact O-N 3.11Å; L111-I115 WeakPolarHBondContact O-CG1 3.38Å; L111-I115 PolarHBondContact O-N 3.5Å
112	C	88.1	Confident	83.6	Confident	67 Å²	67	77.7 Å²	77.7	45%	0.453	40%	0.396	S	S	.	.	H	α-helix	trans	-59.2	-43.4	175.7	-68.7	0	0	0	0	112	G108 N109 G114 I115 D116	G108-C112 PolarHBondContact O-N 2.93Å; G108-C112 PolarHBondContact O-SG 3.42Å; G108-C112 VanDerWaalsContact O-SG 3.33Å; N109-C112 WeakPolarHBondContact O-CB 3.38Å; N109-C112 PolarHBondContact O-N 3.44Å; C112-G114 VanDerWaalsContact C-N 3.27Å; C112-G114 PolarHBondContact O-N 3.04Å; C112-I115 WeakPolarHBondContact O-CB 3.41Å; C112-I115 PolarHBondContact O-N 3.22Å; C112-D116 PolarHBondContact O-N 3.31Å
113	Q	82.3	Confident	82.6	Confident	128 Å²	128	84.3 Å²	84.3	60%	0.598	44%	0.436	S	S	*	.	H	α-helix	trans	-60.7	-37.4	174.7	-71.2	174.2	11.2	0	0	112.2	N109 E110 L111 I115 D116 E117	N109-Q113 WeakPolarHBondContact O-CG 3.49Å; N109-Q113 PolarHBondContact O-N 3.2Å; E110-Q113 PolarHBondContact O-N 3.44Å; L111-Q113 VanDerWaalsContact C-N 3.34Å; L111-Q113 PolarHBondContact O-N 3.02Å; Q113-I115 VanDerWaalsContact C-N 3.33Å; Q113-D116 PolarHBondContact O-N 3.31Å; Q113-E117 WeakPolarHBondContact O-CB 3.34Å; Q113-E117 PolarHBondContact O-N 3.07Å
114	G	85.4	Confident	81.8	Confident	4 Å²	4	85.3 Å²	85.3	4%	0.041	45%	0.452	C	S	.	.	H	α-helix	trans	-63.5	-37.9	173.3	0	0	0	0	0	113	E110 L111 C112 F118	E110-G114 PolarHBondContact O-N 3.47Å; L111-G114 WeakPolarHBondContact O-CA 3.35Å; L111-G114 PolarHBondContact O-N 3.13Å; L111-G114 VanDerWaalsContact O-N 3.11Å; C112-G114 VanDerWaalsContact C-N 3.27Å; C112-G114 PolarHBondContact O-N 3.04Å; G114-F118 PolarHBondContact O-N 2.93Å; G114-F118 VanDerWaalsContact O-N 3.13Å
115	I	88.1	Confident	81	Confident	51 Å²	51	80.8 Å²	80.8	26%	0.262	44%	0.437	S	S	.	.	H	α-helix	trans	-67.8	-44.2	174.6	-62.7	172.5	0	0	0	110.2	L92 F98 L111 C112 Q113 E117 F118 L119	L92-I115 HydrophobicContact CD1-CG1 4.35Å; L92-I115 HydrophobicContact CD2-CG1 4.41Å; F98-I115 HydrophobicContact CD2-CG1 4.32Å; F98-I115 HydrophobicContact CE2-CD1 4.46Å; F98-I115 HydrophobicContact CE2-CG1 3.55Å; F98-I115 HydrophobicContact CZ-CG1 4.04Å; L111-I115 WeakPolarHBondContact O-CG1 3.38Å; L111-I115 PolarHBondContact O-N 3.5Å; C112-I115 WeakPolarHBondContact O-CB 3.41Å; C112-I115 PolarHBondContact O-N 3.22Å; Q113-I115 VanDerWaalsContact C-N 3.33Å; I115-E117 VanDerWaalsContact C-N 3.33Å; I115-E117 PolarHBondContact O-N 3.26Å; I115-F118 WeakPolarHBondContact O-CB 3.48Å; I115-F118 PolarHBondContact O-N 2.87Å; I115-L119 HydrophobicContact CG2-CD1 3.91Å; I115-L119 HydrophobicContact CG2-CG 4.2Å; I115-L119 WeakPolarHBondContact O-CB 3.27Å; I115-L119 WeakPolarHBondContact O-CG 3.34Å; I115-L119 PolarHBondContact O-N 3.14Å
116	D	82.5	Confident	80.3	Confident	104 Å²	104	84.4 Å²	84.4	56%	0.556	46%	0.46	S	S	*	.	H	α-helix	trans	-60.8	-42.7	178.4	-71.8	-20.6	0	0	0	111.5	C112 Q113 F118 L119 S120	C112-D116 PolarHBondContact O-N 3.31Å; Q113-D116 PolarHBondContact O-N 3.31Å; D116-F118 PolarHBondContact O-N 2.84Å; D116-L119 PolarHBondContact O-N 3.04Å; D116-S120 WeakPolarHBondContact O-CB 3.28Å; D116-S120 PolarHBondContact O-N 3.28Å
117	E	81	Confident	79.6	Confident	88 Å²	88	78.8 Å²	78.8	41%	0.411	46%	0.462	S	S	.	.	H	α-helix	trans	-60.1	-46.4	174.9	-179.8	61.9	-158.9	0	0	111	V97 Q113 I115 L119 S120 Q121	V97-E117 HydrophobicContact CG1-CG 4.42Å; Q113-E117 WeakPolarHBondContact O-CB 3.34Å; Q113-E117 PolarHBondContact O-N 3.07Å; I115-E117 VanDerWaalsContact C-N 3.33Å; I115-E117 PolarHBondContact O-N 3.26Å; E117-L119 PolarHBondContact O-N 2.87Å; E117-S120 PolarHBondContact O-N 2.87Å; E117-S120 PolarHBondContact O-OG 3.41Å; E117-Q121 PolarHBondContact OE1-NE2 2.91Å
118	F	84.7	Confident	78.7	Confident	42 Å²	42	79.2 Å²	79.2	18%	0.184	48%	0.483	C	S	.	.	H	α-helix	trans	-59.8	-46.8	175.6	172.9	-96.4	0	0	0	111.7	T91 L92 D95 G114 I115 D116 S120 Q121 C122	T91-F118 HydrophobicContact CG2-CZ 4Å; L92-F118 HydrophobicContact CD2-CB 3.81Å; L92-F118 HydrophobicContact CD2-CD1 3.28Å; L92-F118 HydrophobicContact CD2-CD2 4.11Å; L92-F118 HydrophobicContact CD2-CE1 3.78Å; L92-F118 HydrophobicContact CD2-CG 3.46Å; L92-F118 VanDerWaalsContact CD2-CG 3.46Å; L92-F118 HydrophobicContact CD2-CZ 4.38Å; L92-F118 HydrophobicContact CG-CD1 4.07Å; L92-F118 HydrophobicContact CG-CE1 4.08Å; D95-F118 HydrophobicContact CB-CD2 3.87Å; D95-F118 HydrophobicContact CB-CE2 4Å; G114-F118 PolarHBondContact O-N 2.93Å; G114-F118 VanDerWaalsContact O-N 3.13Å; I115-F118 WeakPolarHBondContact O-CB 3.48Å; I115-F118 PolarHBondContact O-N 2.87Å; D116-F118 PolarHBondContact O-N 2.84Å; F118-S120 VanDerWaalsContact C-N 3.33Å; F118-S120 PolarHBondContact O-N 3Å; F118-Q121 PolarHBondContact O-N 3.32Å; F118-C122 WeakPolarHBondContact CE1-SG 3.31Å; F118-C122 WeakPolarHBondContact CZ-SG 3.45Å; F118-C122 PolarHBondContact O-N 2.92Å; F118-C122 PolarHBondContact O-SG 3.11Å
119	L	82	Confident	77.5	Confident	94 Å²	94	86.8 Å²	86.8	49%	0.492	50%	0.498	S	S	.	.	H	α-helix	trans	-64.9	-35.9	-179.8	-72.9	176.1	0	0	0	112.5	I115 D116 E117 Q121 C122	I115-L119 HydrophobicContact CG2-CD1 3.91Å; I115-L119 HydrophobicContact CG2-CG 4.2Å; I115-L119 WeakPolarHBondContact O-CB 3.27Å; I115-L119 WeakPolarHBondContact O-CG 3.34Å; I115-L119 PolarHBondContact O-N 3.14Å; D116-L119 PolarHBondContact O-N 3.04Å; E117-L119 PolarHBondContact O-N 2.87Å; L119-Q121 PolarHBondContact O-N 3.15Å; L119-Q121 VanDerWaalsContact O-N 3.14Å; L119-C122 PolarHBondContact O-N 3.33Å; L119-C122 VanDerWaalsContact O-N 3.08Å
120	S	71.3	Confident	76.4	Confident	86 Å²	86	85.2 Å²	85.2	60%	0.601	49%	0.489	S	S	*	.	H	α-helix	trans	-60.4	-24	178.5	79	0	0	0	0	113.3	D116 E117 F118	D116-S120 WeakPolarHBondContact O-CB 3.28Å; D116-S120 PolarHBondContact O-N 3.28Å; E117-S120 PolarHBondContact O-N 2.87Å; E117-S120 PolarHBondContact O-OG 3.41Å; F118-S120 VanDerWaalsContact C-N 3.33Å; F118-S120 PolarHBondContact O-N 3Å
121	Q	67.4	Low	75.1	Confident	111 Å²	111	85.9 Å²	85.9	52%	0.519	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-4.2	179.8	-56.6	-174.5	11.8	0	0	112.9	E117 F118 L119	E117-Q121 PolarHBondContact OE1-NE2 2.91Å; F118-Q121 PolarHBondContact O-N 3.32Å; L119-Q121 PolarHBondContact O-N 3.15Å; L119-Q121 VanDerWaalsContact O-N 3.14Å
122	C	73.2	Confident	73.8	Confident	45 Å²	45	92.8 Å²	92.8	30%	0.304	54%	0.538	S	S	.	.			trans	-81.8	131.1	177.2	-76.1	0	0	0	0	111.3	F118 L119 V124	F118-C122 WeakPolarHBondContact CE1-SG 3.31Å; F118-C122 WeakPolarHBondContact CZ-SG 3.45Å; F118-C122 PolarHBondContact O-N 2.92Å; F118-C122 PolarHBondContact O-SG 3.11Å; L119-C122 PolarHBondContact O-N 3.33Å; L119-C122 VanDerWaalsContact O-N 3.08Å; C122-V124 HydrophobicContact CB-CG2 4.48Å; C122-V124 PolarHBondContact O-N 3.06Å
123	V	69.4	Low	72.4	Confident	140 Å²	140	97 Å²	97	85%	0.848	56%	0.556	S	S	*	*			trans	-85.9	104.2	168.2	-178.9	0	0	0	0	108.3
124	V	71.7	Confident	71.2	Confident	115 Å²	115	94.2 Å²	94.2	70%	0.697	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-89.7	119.1	178.7	-174.9	0	0	0	0	109.7	C122	C122-V124 HydrophobicContact CB-CG2 4.48Å; C122-V124 PolarHBondContact O-N 3.06Å
125	V	69.4	Low	69.9	Low	66 Å²	66	105.1 Å²	105.1	40%	0.4	59%	0.589	S	S	.	*	P	Polyproline II helix	trans	-86.6	129.1	173.8	-179.5	0	0	0	0	109.1	R129 L130	V125-R129 HydrophobicContact CG1-CB 4.47Å; V125-L130 HydrophobicContact CG1-CB 4.44Å; V125-L130 HydrophobicContact CG1-CD1 4.04Å
126	P	71.8	Confident	68.5	Low	83 Å²	83	108.9 Å²	108.9	54%	0.539	61%	0.609	S	S	.	*	P	Polyproline II helix	trans	-56.9	141.2	175.9	-23.3	32.3	0	0	0	112.3	G128 R129	P126-G128 PolarHBondContact O-N 3.35Å; P126-R129 PolarHBondContact O-N 2.99Å
127	A	70.5	Confident	67.1	Low	106 Å²	106	111.9 Å²	111.9	88%	0.876	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.5	137.3	178.1	0	0	0	0	0	111.5
128	G	67.4	Low	65.7	Low	83 Å²	83	112.7 Å²	112.7	86%	0.856	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	88	-7.2	176.4	0	0	0	0	0	116.3	P126	P126-G128 PolarHBondContact O-N 3.35Å
129	R	61.3	Low	64	Low	205 Å²	205	119.3 Å²	119.3	77%	0.774	66%	0.664	S	S	*	*	S	Bend	trans	-86.7	-27.8	177.4	-71.3	-150.5	178.7	-167	2	115	V125 P126	V125-R129 HydrophobicContact CG1-CB 4.47Å; P126-R129 PolarHBondContact O-N 2.99Å
130	L	62.3	Low	61.9	Low	77 Å²	77	123.6 Å²	123.6	40%	0.403	68%	0.682	S	S	.	*	S	Bend	trans	-121.8	137.4	175.8	-102.2	82.8	0	0	0	109.7	V125 C134 L136	V125-L130 HydrophobicContact CG1-CB 4.44Å; V125-L130 HydrophobicContact CG1-CD1 4.04Å; L130-C134 HydrophobicContact CD2-CB 3.8Å; L130-C134 HydrophobicContact CG-CB 4.11Å; L130-L136 HydrophobicContact CD2-CD1 4.43Å; L130-L136 HydrophobicContact CD2-CD2 3.98Å; L130-L136 HydrophobicContact CD2-CG 4.19Å
131	S	58.8	Low	60.4	Low	84 Å²	84	123.2 Å²	123.2	59%	0.587	69%	0.691	S	S	*	*			trans	-76.8	148.6	166.6	58.7	0	0	0	0	109.8	N133 C134	S131-N133 PolarHBondContact O-N 3.45Å; S131-C134 WeakPolarHBondContact O-CB 3.49Å; S131-C134 PolarHBondContact O-N 3.02Å
132	L	60.4	Low	59.2	Low	170 Å²	170	121.7 Å²	121.7	89%	0.89	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.6	-19.1	178.7	-94.1	119.3	0	0	0	114	C134	L132-C134 VanDerWaalsContact C-N 3.32Å
133	N	60.3	Low	57.6	Low	156 Å²	156	126.6 Å²	126.6	83%	0.834	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	-4.1	178.9	-62.7	-13.3	0	0	0	113.1	S131 R135	S131-N133 PolarHBondContact O-N 3.45Å; N133-R135 PolarHBondContact O-N 3.31Å
134	C	55.9	Low	56.1	Low	68 Å²	68	125.2 Å²	125.2	46%	0.459	70%	0.702	S	S	.	*			trans	-76.2	110.3	179.8	-163.7	0	0	0	0	109.4	L130 S131 L132 L136	L130-C134 HydrophobicContact CD2-CB 3.8Å; L130-C134 HydrophobicContact CG-CB 4.11Å; S131-C134 WeakPolarHBondContact O-CB 3.49Å; S131-C134 PolarHBondContact O-N 3.02Å; L132-C134 VanDerWaalsContact C-N 3.32Å; C134-L136 PolarHBondContact O-N 3.5Å
135	R	57.7	Low	54.8	Low	233 Å²	233	125.5 Å²	125.5	88%	0.879	71%	0.707	S	S	*	*			trans	-83.3	107.5	176.4	-173.8	173.9	-180	163	-1.8	108.7	N133 E137	N133-R135 PolarHBondContact O-N 3.31Å; R135-E137 PolarHBondContact O-N 3.33Å
136	L	59.9	Low	53.7	Low	131 Å²	131	127 Å²	127	69%	0.686	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-70.4	118.7	170.9	-69.1	167.3	0	0	0	108.3	L130 C134	L130-L136 HydrophobicContact CD2-CD1 4.43Å; L130-L136 HydrophobicContact CD2-CD2 3.98Å; L130-L136 HydrophobicContact CD2-CG 4.19Å; C134-L136 PolarHBondContact O-N 3.5Å
137	E	52.1	Low	52.3	Low	166 Å²	166	127.3 Å²	127.3	78%	0.776	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-69.3	133	172.8	-66.8	-173.5	168	0	0	109	R135 H139	R135-E137 PolarHBondContact O-N 3.33Å; E137-H139 PolarHBondContact O-N 2.92Å
138	P	52.4	Low	51.2	Low	105 Å²	105	128.9 Å²	128.9	68%	0.682	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-59.9	129.2	172.9	24.7	-30.9	0	0	0	108.4	E140	P138-E140 VanDerWaalsContact C-N 3.29Å; P138-E140 PolarHBondContact O-N 2.84Å
139	H	48.3	Very low	50.2	Low	181 Å²	181	127.1 Å²	127.1	84%	0.838	68%	0.675	S	S	*	*			trans	-66.1	89.6	176.2	-71.6	-70.3	0	0	0	109.6	E137 G141	E137-H139 PolarHBondContact O-N 2.92Å; H139-G141 PolarHBondContact O-N 3.13Å; H139-G141 VanDerWaalsContact O-N 3.15Å
140	E	37.7	Very low	49.3	Very low	185 Å²	185	121.7 Å²	121.7	86%	0.864	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	109	170.6	-71.1	-172.6	169.7	0	0	108.8	P138	P138-E140 VanDerWaalsContact C-N 3.29Å; P138-E140 PolarHBondContact O-N 2.84Å
141	G	41.5	Very low	48.3	Very low	77 Å²	77	121.9 Å²	121.9	79%	0.794	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	109.4	8.2	153.4	0	0	0	0	0	119.1	H139	H139-G141 PolarHBondContact O-N 3.13Å; H139-G141 VanDerWaalsContact O-N 3.15Å
142	L	42.1	Very low	47	Very low	79 Å²	79	123.5 Å²	123.5	41%	0.414	68%	0.677	S	S	.	*	S	Bend	trans	-105.1	-16.3	-175.8	-89.1	158.3	0	0	0	118.1
143	L	39.8	Very low	45.6	Very low	149 Å²	149	119.4 Å²	119.4	78%	0.78	66%	0.661	S	S	*	*	S	Bend	trans	-153.5	133.4	162.3	-74.6	171.3	0	0	0	106.9
144	P	37.5	Very low	44.6	Very low	110 Å²	110	117.1 Å²	117.1	71%	0.714	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-53.6	135.2	164.3	23.9	-30.5	0	0	0	107.2	V146	P144-V146 PolarHBondContact O-N 2.75Å
145	P	43	Very low	43.5	Very low	122 Å²	122	118.9 Å²	118.9	79%	0.792	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-52.4	120.9	177.8	19.9	-30.1	0	0	0	107.7	P147	P145-P147 WeakPolarHBondContact O-CD 3.38Å
146	V	47.7	Very low	42.2	Very low	96 Å²	96	112 Å²	112	58%	0.582	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-51.7	120.1	-179.4	177.9	0	0	0	0	106.9	P144 R148 V157	P144-V146 PolarHBondContact O-N 2.75Å; V146-R148 PolarHBondContact O-N 3.46Å; V146-V157 HydrophobicContact CG1-CG1 4.3Å
147	P	41.4	Very low	40.8	Very low	90 Å²	90	107.2 Å²	107.2	58%	0.584	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-60.6	116.5	-176	20.4	-30	0	0	0	109	P145 S149	P145-P147 WeakPolarHBondContact O-CD 3.38Å; P147-S149 PolarHBondContact O-N 3.05Å
148	R	48.9	Very low	39.9	Very low	140 Å²	140	103.3 Å²	103.3	53%	0.528	60%	0.598	S	S	.	*	P	Polyproline II helix	trans	-63.3	119.2	-177.1	-60.5	177.6	-178.3	-168.2	-6.7	109	D95 V97 V146	D95-R148 IonicContact OD1-CZ 2.6Å; D95-R148 IonicContact OD1-NH1 2.67Å; D95-R148 PolarHBondContact OD1-NH1 3.14Å; D95-R148 IonicContact OD1-NH2 3.3Å; V97-R148 HydrophobicContact CG2-CB 4.12Å; V146-R148 PolarHBondContact O-N 3.46Å
149	S	45.7	Very low	38.9	Very low	46 Å²	46	100.6 Å²	100.6	32%	0.322	58%	0.581	S	S	.	*			trans	-127.1	119.3	176.8	102	0	0	0	0	110.7	P147 G151 K152 V157	P147-S149 PolarHBondContact O-N 3.05Å; S149-G151 PolarHBondContact O-N 3.42Å; S149-K152 WeakPolarHBondContact OG-CB 3.47Å; S149-V157 WeakPolarHBondContact OG-CG2 3.46Å
150	I	42.4	Very low	37.9	Very low	91 Å²	91	94.4 Å²	94.4	47%	0.467	56%	0.562	S	S	.	*	S	Bend	trans	-67.5	121.7	176.4	-63.1	169	0	0	0	108.6	V97 K100 K152	V97-I150 HydrophobicContact CG1-CG1 4.16Å; K100-I150 HydrophobicContact CB-CD1 3.94Å; K100-I150 HydrophobicContact CD-CD1 3.57Å; K100-I150 HydrophobicContact CG-CD1 4.39Å; I150-K152 PolarHBondContact O-N 3.26Å
151	G	40.8	Very low	37.8	Very low	80 Å²	80	89.4 Å²	89.4	83%	0.825	54%	0.543	S	S	*	.	S	Bend	trans	65.4	14.7	161	0	0	0	0	0	116.7	S149	S149-G151 PolarHBondContact O-N 3.42Å
152	K	31.1	Very low	37.5	Very low	118 Å²	118	88 Å²	88	51%	0.513	52%	0.516	S	S	.	.			trans	-81.8	130.1	162.7	-72	176.4	167.7	-174.4	0	107.3	S149 I150 V154 L156 V157	S149-K152 WeakPolarHBondContact OG-CB 3.47Å; I150-K152 PolarHBondContact O-N 3.26Å; K152-V154 PolarHBondContact O-N 2.96Å; K152-L156 HydrophobicContact CB-CB 4.19Å; K152-L156 HydrophobicContact CB-CD2 4.38Å; K152-L156 HydrophobicContact CD-CD2 3.78Å; K152-L156 HydrophobicContact CG-CD2 4.12Å; K152-V157 HydrophobicContact CB-CG2 4.2Å
153	P	31.3	Very low	37	Very low	84 Å²	84	90.8 Å²	90.8	55%	0.545	53%	0.531	S	S	.	.			trans	-51.5	140.7	175.4	21.2	-30.5	0	0	0	108.4	D155 L156	P153-D155 PolarHBondContact O-N 3.02Å; P153-L156 HydrophobicContact CG-CB 4.37Å; P153-L156 WeakPolarHBondContact O-CB 3.38Å; P153-L156 PolarHBondContact O-N 3.39Å
154	V	39.2	Very low	36.6	Very low	108 Å²	108	92 Å²	92	66%	0.655	53%	0.533	S	S	*	.	H	α-helix	trans	-47.4	-32.9	-176.9	176.5	0	0	0	0	111.8	K152 L156 V157 L158	K152-V154 PolarHBondContact O-N 2.96Å; V154-L156 VanDerWaalsContact C-N 3.28Å; V154-L156 PolarHBondContact O-N 2.85Å; V154-V157 PolarHBondContact O-N 3.41Å; V154-L158 WeakPolarHBondContact O-CB 3.44Å; V154-L158 PolarHBondContact O-N 3.41Å
155	D	34	Very low	36.9	Very low	106 Å²	106	91.8 Å²	91.8	57%	0.567	52%	0.522	S	S	*	.	H	α-helix	trans	-60	-31	175.9	-59.1	-17	0	0	0	113.7	P153 S159	P153-D155 PolarHBondContact O-N 3.02Å; D155-S159 WeakPolarHBondContact O-CB 3.29Å; D155-S159 PolarHBondContact O-N 2.83Å; D155-S159 PolarHBondContact O-OG 3.37Å
156	L	30	Very low	37.3	Very low	87 Å²	87	90.4 Å²	90.4	46%	0.455	51%	0.505	S	S	.	.	H	α-helix	trans	-81.5	-31.5	179.1	-141.9	93.9	0	0	0	113.1	K152 P153 V154 S159 A160	K152-L156 HydrophobicContact CB-CB 4.19Å; K152-L156 HydrophobicContact CB-CD2 4.38Å; K152-L156 HydrophobicContact CD-CD2 3.78Å; K152-L156 HydrophobicContact CG-CD2 4.12Å; P153-L156 HydrophobicContact CG-CB 4.37Å; P153-L156 WeakPolarHBondContact O-CB 3.38Å; P153-L156 PolarHBondContact O-N 3.39Å; V154-L156 VanDerWaalsContact C-N 3.28Å; V154-L156 PolarHBondContact O-N 2.85Å; L156-S159 WeakPolarHBondContact CA-OG 3.27Å; L156-S159 PolarHBondContact O-OG 3.31Å; L156-S159 VanDerWaalsContact O-OG 3.13Å; L156-A160 WeakPolarHBondContact O-CB 3.43Å; L156-A160 PolarHBondContact O-N 2.89Å
157	V	30.2	Very low	37.7	Very low	31 Å²	31	90.6 Å²	90.6	19%	0.188	50%	0.495	C	S	.	.	H	α-helix	trans	-75.4	-40.2	176	-179.3	0	0	0	0	109.8	V146 S149 K152 V154 S159 A160 V161	V146-V157 HydrophobicContact CG1-CG1 4.3Å; S149-V157 WeakPolarHBondContact OG-CG2 3.46Å; K152-V157 HydrophobicContact CB-CG2 4.2Å; V154-V157 PolarHBondContact O-N 3.41Å; V157-S159 VanDerWaalsContact C-N 3.27Å; V157-S159 PolarHBondContact O-N 3.38Å; V157-A160 PolarHBondContact O-N 2.86Å; V157-V161 WeakPolarHBondContact O-CG2 3.44Å; V157-V161 PolarHBondContact O-N 3.43Å
158	L	33	Very low	38.9	Very low	84 Å²	84	87.5 Å²	87.5	44%	0.44	47%	0.474	S	S	.	.	H	α-helix	trans	-60.7	-39.8	173.3	-154.6	98.5	0	0	0	111.2	V154 Q162	V154-L158 WeakPolarHBondContact O-CB 3.44Å; V154-L158 PolarHBondContact O-N 3.41Å; L158-Q162 WeakPolarHBondContact O-CB 3.36Å; L158-Q162 VanDerWaalsContact O-CG 3.3Å; L158-Q162 WeakPolarHBondContact O-CG 3.43Å; L158-Q162 PolarHBondContact O-N 2.91Å; L158-Q162 VanDerWaalsContact O-N 3.13Å
159	S	30.6	Very low	39.8	Very low	48 Å²	48	83.8 Å²	83.8	34%	0.336	46%	0.462	S	S	.	.	H	α-helix	trans	-72.5	-32.5	174.7	40.2	0	0	0	0	113.5	D155 L156 V157 Q162 D163	D155-S159 WeakPolarHBondContact O-CB 3.29Å; D155-S159 PolarHBondContact O-N 2.83Å; D155-S159 PolarHBondContact O-OG 3.37Å; L156-S159 WeakPolarHBondContact CA-OG 3.27Å; L156-S159 PolarHBondContact O-OG 3.31Å; L156-S159 VanDerWaalsContact O-OG 3.13Å; V157-S159 VanDerWaalsContact C-N 3.27Å; V157-S159 PolarHBondContact O-N 3.38Å; S159-Q162 CarbonylContact O-C 3.54Å; S159-Q162 WeakPolarHBondContact O-CB 3.35Å; S159-Q162 PolarHBondContact O-N 2.97Å; S159-D163 PolarHBondContact O-N 2.92Å
160	A	28.3	Very low	41.2	Very low	52 Å²	52	85.8 Å²	85.8	43%	0.43	46%	0.463	S	S	.	.	H	α-helix	trans	-72	-32.6	175.4	0	0	0	0	0	113.5	L156 V157 Q162 D163	L156-A160 WeakPolarHBondContact O-CB 3.43Å; L156-A160 PolarHBondContact O-N 2.89Å; V157-A160 PolarHBondContact O-N 2.86Å; A160-Q162 VanDerWaalsContact C-N 3.29Å; A160-D163 PolarHBondContact O-N 3.2Å
161	V	36.2	Very low	42.9	Very low	79 Å²	79	83 Å²	83	48%	0.479	45%	0.45	S	S	.	.	H	α-helix	trans	-68.8	-33.4	169.2	175.6	0	0	0	0	110.2	V157	V157-V161 WeakPolarHBondContact O-CG2 3.44Å; V157-V161 PolarHBondContact O-N 3.43Å
162	Q	35.5	Very low	44.7	Very low	47 Å²	47	81.7 Å²	81.7	22%	0.22	44%	0.437	C	S	.	.	H	α-helix	trans	-74.7	-20.3	174.2	-77.1	174.4	-25.4	0	0	114.5	L158 S159 A160 H164 E165	L158-Q162 WeakPolarHBondContact O-CB 3.36Å; L158-Q162 VanDerWaalsContact O-CG 3.3Å; L158-Q162 WeakPolarHBondContact O-CG 3.43Å; L158-Q162 PolarHBondContact O-N 2.91Å; L158-Q162 VanDerWaalsContact O-N 3.13Å; S159-Q162 CarbonylContact O-C 3.54Å; S159-Q162 WeakPolarHBondContact O-CB 3.35Å; S159-Q162 PolarHBondContact O-N 2.97Å; A160-Q162 VanDerWaalsContact C-N 3.29Å; Q162-H164 PolarHBondContact O-N 3.07Å; Q162-H164 VanDerWaalsContact O-N 3.16Å; Q162-E165 WeakPolarHBondContact O-CB 3.46Å; Q162-E165 PolarHBondContact O-N 3.38Å
163	D	30.6	Very low	47.1	Very low	138 Å²	138	82.7 Å²	82.7	74%	0.738	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-18.4	176.5	-85.5	-21.8	0	0	0	112.5	S159 A160	S159-D163 PolarHBondContact O-N 2.92Å; A160-D163 PolarHBondContact O-N 3.2Å
164	H	31.7	Very low	49.8	Very low	174 Å²	174	85.2 Å²	85.2	81%	0.806	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-14.9	171.4	-81.8	-63.6	0	0	0	114.1	Q162 E166	Q162-H164 PolarHBondContact O-N 3.07Å; Q162-H164 VanDerWaalsContact O-N 3.16Å; H164-E166 PolarHBondContact O-N 3.43Å; H164-E166 VanDerWaalsContact O-N 3.16Å
165	E	42.8	Very low	52.1	Low	107 Å²	107	83.7 Å²	83.7	50%	0.5	43%	0.434	S	S	.	.	S	Bend	trans	-76.1	102.3	164	-71.4	178.2	162	0	0	106.5	Q162 R167	Q162-E165 WeakPolarHBondContact O-CB 3.46Å; Q162-E165 PolarHBondContact O-N 3.38Å; E165-R167 PolarHBondContact O-N 3.27Å
166	E	51.3	Low	54.5	Low	93 Å²	93	79.3 Å²	79.3	44%	0.435	41%	0.414	S	S	.	.			trans	-60.7	80.6	173.5	-68.3	-172.8	158.3	0	0	109.8	H164 L168	H164-E166 PolarHBondContact O-N 3.43Å; H164-E166 VanDerWaalsContact O-N 3.16Å; E166-L168 PolarHBondContact O-N 3.38Å
167	R	56.4	Low	57.2	Low	99 Å²	99	75.3 Å²	75.3	37%	0.374	39%	0.394	S	S	.	.			trans	-57.2	140.1	179.1	-72.6	-177.7	176	170.1	1.8	108.9	E165 Q169	E165-R167 PolarHBondContact O-N 3.27Å; R167-Q169 PolarHBondContact O-N 2.95Å
168	L	66.3	Low	60	Low	25 Å²	25	75 Å²	75	13%	0.131	39%	0.391	C	S	.	.			trans	-52.7	102.4	169.5	-76.3	159.9	0	0	0	108.7	E166 V290 F488 Y490 L693	E166-L168 PolarHBondContact O-N 3.38Å; L168-V290 HydrophobicContact CD1-CB 4.4Å; L168-F488 HydrophobicContact CD1-CE2 4.47Å; L168-F488 HydrophobicContact CD2-CD2 4.41Å; L168-F488 HydrophobicContact CD2-CE2 3.54Å; L168-F488 HydrophobicContact CD2-CZ 4.17Å; L168-F488 HydrophobicContact CG-CE2 3.79Å; L168-F488 HydrophobicContact CG-CZ 3.92Å; L168-Y490 HydrophobicContact CD1-CD2 3.92Å; L168-Y490 HydrophobicContact CD1-CE2 3.69Å; L168-Y490 HydrophobicContact CD2-CD2 3.87Å; L168-Y490 HydrophobicContact CD2-CE2 4.3Å; L168-Y490 HydrophobicContact CG-CD2 4.39Å; L168-Y490 HydrophobicContact CG-CE2 4.35Å; L168-L693 VanDerWaalsContact O-CD2 3.3Å; L168-L693 WeakPolarHBondContact O-CD2 3.28Å
169	Q	68.4	Low	62.7	Low	62 Å²	62	75.6 Å²	75.6	29%	0.29	40%	0.398	S	S	.	.			trans	-121.4	143.1	175.3	-76.4	-178.4	6.8	0	0	107.9	R167 T171 K697	R167-Q169 PolarHBondContact O-N 2.95Å; Q169-T171 PolarHBondContact O-N 2.88Å; Q169-K697 HydrophobicContact CB-CD 4.35Å; Q169-K697 HydrophobicContact CB-CG 3.62Å
170	R	75.6	Confident	65.4	Low	88 Å²	88	76.4 Å²	76.4	33%	0.332	40%	0.397	S	S	.	.			trans	-60.4	135.7	179.3	-162	173.7	-175.5	-163.9	-1.8	110.4	I284 D285 V288 L693 S696 K697	R170-I284 PolarHBondContact NE-O 3.06Å; R170-I284 PolarHBondContact NH2-O 3Å; R170-D285 HydrophobicContact CG-CB 4.06Å; R170-V288 HydrophobicContact CB-CG2 4.49Å; R170-L693 WeakPolarHBondContact CB-O 3.5Å; R170-L693 PolarHBondContact N-O 2.87Å; R170-S696 CarbonylContact O-C 3.39Å; R170-S696 WeakPolarHBondContact O-CA 3.39Å; R170-K697 PolarHBondContact O-N 2.92Å
171	T	78.4	Confident	68.3	Low	33 Å²	33	74.4 Å²	74.4	20%	0.202	38%	0.379	C	S	.	.			trans	-80.4	-30.9	177.2	67.2	0	0	0	0	111.4	Q169 K173 G176 G177 D285	Q169-T171 PolarHBondContact O-N 2.88Å; T171-K173 VanDerWaalsContact C-N 3.32Å; T171-K173 PolarHBondContact OG1-N 2.71Å; T171-G176 WeakPolarHBondContact OG1-CA 3.37Å; T171-G177 PolarHBondContact OG1-N 3.5Å; T171-D285 WeakPolarHBondContact CB-OD2 2.97Å; T171-D285 PolarHBondContact N-OD2 3.22Å; T171-D285 PolarHBondContact OG1-OD2 3.2Å
172	G	77.1	Confident	70.9	Confident	53 Å²	53	73.8 Å²	73.8	55%	0.546	38%	0.375	S	S	.	.			trans	81.3	7.4	-179.3	0	0	0	0	0	114.1
173	K	82.8	Confident	73.5	Confident	139 Å²	139	77.4 Å²	77.4	60%	0.604	39%	0.39	S	S	*	.	S	Bend	trans	-113.3	147.3	171.3	-65.6	-177.7	179.4	-179.2	0	109	T171 F175 G176	T171-K173 VanDerWaalsContact C-N 3.32Å; T171-K173 PolarHBondContact OG1-N 2.71Å; K173-F175 PolarHBondContact O-N 3.37Å; K173-G176 PolarHBondContact O-N 3.29Å
174	L	86.5	Confident	76.2	Confident	137 Å²	137	71.9 Å²	71.9	72%	0.717	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	130.4	170	-68.2	173.8	0	0	0	109.3	G176 A283	L174-G176 PolarHBondContact O-N 2.85Å; L174-G176 VanDerWaalsContact O-N 3.17Å; L174-A283 WeakPolarHBondContact CA-O 3.46Å; L174-A283 HydrophobicContact CD2-CB 4.44Å
175	F	88.1	Confident	78.9	Confident	76 Å²	76	65.6 Å²	65.6	33%	0.333	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.8	14	-173.5	-60.7	-81.2	0	0	0	115.4	K173 G177 L178 V179 I279 V282 A283 M495	K173-F175 PolarHBondContact O-N 3.37Å; F175-G177 PolarHBondContact O-N 3.44Å; F175-L178 HydrophobicContact CD1-CD2 3.92Å; F175-L178 PolarHBondContact O-N 2.87Å; F175-V179 WeakPolarHBondContact O-CG2 3.4Å; F175-V179 PolarHBondContact O-N 3.16Å; F175-I279 HydrophobicContact CE1-CG2 4.16Å; F175-I279 HydrophobicContact CZ-CG2 4.02Å; F175-V282 HydrophobicContact CD1-CG1 4.21Å; F175-V282 HydrophobicContact CE1-CG1 4.45Å; F175-A283 HydrophobicContact CD1-CB 4.26Å; F175-A283 HydrophobicContact CD2-CB 4.21Å; F175-A283 HydrophobicContact CE1-CB 3.88Å; F175-A283 HydrophobicContact CE2-CB 3.84Å; F175-A283 HydrophobicContact CG-CB 4.41Å; F175-A283 HydrophobicContact CZ-CB 3.66Å; F175-A283 PolarHBondContact N-O 3.49Å; F175-A283 VanDerWaalsContact N-O 3.12Å; F175-M495 HydrophobicContact CD1-CE 4.13Å; F175-M495 HydrophobicContact CE1-CE 3.63Å
176	G	85.1	Confident	81	Confident	13 Å²	13	63.2 Å²	63.2	13%	0.134	33%	0.329	C	S	.	.	H	α-helix	trans	-66.1	-37.7	-177.4	0	0	0	0	0	112.6	T171 K173 L174 V179 E180	T171-G176 WeakPolarHBondContact OG1-CA 3.37Å; K173-G176 PolarHBondContact O-N 3.29Å; L174-G176 PolarHBondContact O-N 2.85Å; L174-G176 VanDerWaalsContact O-N 3.17Å; G176-V179 PolarHBondContact O-N 3.23Å; G176-E180 PolarHBondContact O-N 3.08Å; G176-E180 VanDerWaalsContact O-N 3.11Å
177	G	86.2	Confident	82.8	Confident	4 Å²	4	66.7 Å²	66.7	4%	0.041	34%	0.343	C	S	.	.	H	α-helix	trans	-62.8	-42.2	174.1	0	0	0	0	0	112.5	T171 F175 E180 D181 D285	T171-G177 PolarHBondContact OG1-N 3.5Å; F175-G177 PolarHBondContact O-N 3.44Å; G177-E180 PolarHBondContact O-N 3.24Å; G177-D181 WeakPolarHBondContact O-CB 3.49Å; G177-D181 VanDerWaalsContact O-CG 3.27Å; G177-D181 PolarHBondContact O-N 3Å; G177-D285 WeakPolarHBondContact CA-OD1 3.37Å; G177-D285 PolarHBondContact N-OD1 3.28Å
178	L	90	Very high	84.2	Confident	25 Å²	25	66.4 Å²	66.4	13%	0.131	34%	0.342	C	S	.	.	H	α-helix	trans	-62	-45.6	176.1	178.8	65.6	0	0	0	112.2	F175 E180 D181 V182 V282 H491 L492 M495	F175-L178 HydrophobicContact CD1-CD2 3.92Å; F175-L178 PolarHBondContact O-N 2.87Å; L178-E180 VanDerWaalsContact C-N 3.3Å; L178-E180 PolarHBondContact O-N 3.44Å; L178-D181 PolarHBondContact O-N 2.79Å; L178-V182 HydrophobicContact CD1-CG2 4.34Å; L178-V182 WeakPolarHBondContact O-CB 3.46Å; L178-V182 VanDerWaalsContact O-CG2 3.27Å; L178-V182 WeakPolarHBondContact O-CG2 3.45Å; L178-V182 PolarHBondContact O-N 3.17Å; L178-V282 HydrophobicContact CB-CG1 3.93Å; L178-V282 HydrophobicContact CD1-CG1 4.47Å; L178-V282 HydrophobicContact CD2-CG1 4.15Å; L178-V282 HydrophobicContact CG-CG1 4.42Å; L178-H491 HydrophobicContact CB-CB 4.27Å; L178-H491 HydrophobicContact CD1-CB 4.47Å; L178-L492 HydrophobicContact CD1-CB 4.27Å; L178-L492 HydrophobicContact CD1-CD1 4.16Å; L178-M495 HydrophobicContact CD1-CB 3.9Å; L178-M495 HydrophobicContact CD1-CG 4.26Å; L178-M495 HydrophobicContact CD2-CB 4.45Å; L178-M495 HydrophobicContact CD2-CE 3.63Å; L178-M495 HydrophobicContact CD2-CG 4.12Å
179	V	89.6	Confident	85.2	Confident	95 Å²	95	70.3 Å²	70.3	58%	0.576	36%	0.355	S	S	*	.	H	α-helix	trans	-63.6	-39	-179.8	173.1	0	0	0	0	111	F175 G176 K183	F175-V179 WeakPolarHBondContact O-CG2 3.4Å; F175-V179 PolarHBondContact O-N 3.16Å; G176-V179 PolarHBondContact O-N 3.23Å; V179-K183 VanDerWaalsContact O-CB 3.27Å; V179-K183 WeakPolarHBondContact O-CB 3.41Å; V179-K183 PolarHBondContact O-N 3.27Å
180	E	86.5	Confident	86	Confident	66 Å²	66	76 Å²	76	31%	0.308	37%	0.374	S	S	.	.	H	α-helix	trans	-68.1	-45.5	176.7	-165.2	60.3	-146.7	0	0	111.5	G176 G177 L178 V182 K183 I184	G176-E180 PolarHBondContact O-N 3.08Å; G176-E180 VanDerWaalsContact O-N 3.11Å; G177-E180 PolarHBondContact O-N 3.24Å; L178-E180 VanDerWaalsContact C-N 3.3Å; L178-E180 PolarHBondContact O-N 3.44Å; E180-V182 VanDerWaalsContact C-N 3.3Å; E180-V182 PolarHBondContact O-N 2.96Å; E180-K183 PolarHBondContact O-N 3.39Å; E180-K183 VanDerWaalsContact O-N 3.11Å; E180-I184 HydrophobicContact CG-CD1 3.87Å; E180-I184 HydrophobicContact CG-CG1 4.4Å; E180-I184 WeakPolarHBondContact O-CG1 3.43Å; E180-I184 PolarHBondContact O-N 3.15Å
181	D	89.9	Confident	86.6	Confident	10 Å²	10	73.2 Å²	73.2	5%	0.053	37%	0.368	C	S	.	.	H	α-helix	trans	-57	-44.6	175.8	-73.8	5.3	0	0	0	111	G177 L178 K185 G489 Y490 H491 L492	G177-D181 WeakPolarHBondContact O-CB 3.49Å; G177-D181 VanDerWaalsContact O-CG 3.27Å; G177-D181 PolarHBondContact O-N 3Å; L178-D181 PolarHBondContact O-N 2.79Å; D181-K185 WeakPolarHBondContact O-CB 3.35Å; D181-K185 PolarHBondContact O-N 3.12Å; D181-G489 WeakPolarHBondContact OD2-CA 3.48Å; D181-Y490 PolarHBondContact OD2-N 3.28Å; D181-H491 IonicContact OD1-ND1 2.75Å; D181-H491 WeakPolarHBondContact OD2-CA 3.12Å; D181-H491 VanDerWaalsContact OD2-CB 3.27Å; D181-H491 WeakPolarHBondContact OD2-CB 3.41Å; D181-H491 IonicContact OD2-CG 3.74Å; D181-H491 PolarHBondContact OD2-N 3.35Å; D181-H491 IonicContact OD2-ND1 3.93Å; D181-H491 PolarHBondContact OD2-ND1 3.38Å; D181-L492 HydrophobicContact CB-CB 4.15Å; D181-L492 PolarHBondContact OD2-N 3.5Å
182	V	91	Very high	86.9	Confident	66 Å²	66	72.2 Å²	72.2	40%	0.4	36%	0.362	S	S	.	.	H	α-helix	trans	-62.1	-47.6	175.2	170.8	0	0	0	0	110.9	L178 E180 I184 K185 A186 L492	L178-V182 HydrophobicContact CD1-CG2 4.34Å; L178-V182 WeakPolarHBondContact O-CB 3.46Å; L178-V182 VanDerWaalsContact O-CG2 3.27Å; L178-V182 WeakPolarHBondContact O-CG2 3.45Å; L178-V182 PolarHBondContact O-N 3.17Å; E180-V182 VanDerWaalsContact C-N 3.3Å; E180-V182 PolarHBondContact O-N 2.96Å; V182-I184 PolarHBondContact O-N 3.07Å; V182-K185 PolarHBondContact O-N 2.87Å; V182-A186 WeakPolarHBondContact O-CB 3.49Å; V182-A186 PolarHBondContact O-N 3.27Å; V182-L492 HydrophobicContact CG2-CD1 3.78Å
183	K	89.8	Confident	87.4	Confident	122 Å²	122	72.4 Å²	72.4	53%	0.53	35%	0.348	S	S	.	.	H	α-helix	trans	-63.4	-40.8	-176.4	-177.4	-176.2	176.4	-168.5	0	112.4	V179 E180	V179-K183 VanDerWaalsContact O-CB 3.27Å; V179-K183 WeakPolarHBondContact O-CB 3.41Å; V179-K183 PolarHBondContact O-N 3.27Å; E180-K183 PolarHBondContact O-N 3.39Å; E180-K183 VanDerWaalsContact O-N 3.11Å
184	I	86.9	Confident	87.6	Confident	23 Å²	23	72.9 Å²	72.9	12%	0.118	35%	0.347	C	S	.	.	H	α-helix	trans	-70.6	-48.1	178.5	-62.7	170.5	0	0	0	109.7	E180 V182 A186 K187 H487	E180-I184 HydrophobicContact CG-CD1 3.87Å; E180-I184 HydrophobicContact CG-CG1 4.4Å; E180-I184 WeakPolarHBondContact O-CG1 3.43Å; E180-I184 PolarHBondContact O-N 3.15Å; V182-I184 PolarHBondContact O-N 3.07Å; I184-A186 PolarHBondContact O-N 3.38Å; I184-K187 PolarHBondContact O-N 3.28Å; I184-H487 HydrophobicContact CG2-CB 3.43Å; I184-H487 VanDerWaalsContact CG2-CB 3.43Å; I184-H487 VanDerWaalsContact CG2-CD2 3.49Å; I184-H487 WeakPolarHBondContact CG2-CD2 3.3Å
185	K	87.9	Confident	87.6	Confident	41 Å²	41	67.9 Å²	67.9	18%	0.178	32%	0.321	C	S	.	.	H	α-helix	trans	-72.1	-29.6	-175.3	-157	154.8	176.7	178.2	0	112.8	D181 V182 K187 W188 Y189 L492 D493	D181-K185 WeakPolarHBondContact O-CB 3.35Å; D181-K185 PolarHBondContact O-N 3.12Å; V182-K185 PolarHBondContact O-N 2.87Å; K185-K187 VanDerWaalsContact C-N 3.27Å; K185-K187 PolarHBondContact O-N 2.94Å; K185-W188 PolarHBondContact O-N 3.37Å; K185-W188 VanDerWaalsContact O-N 3.14Å; K185-Y189 PolarHBondContact O-N 2.9Å; K185-Y189 VanDerWaalsContact O-N 3.16Å; K185-L492 HydrophobicContact CD-CD2 3.79Å; K185-D493 IonicContact NZ-OD1 3.05Å; K185-D493 PolarHBondContact NZ-OD1 3.06Å; K185-D493 VanDerWaalsContact NZ-OD1 3.13Å
186	A	88.1	Confident	87.4	Confident	58 Å²	58	64.2 Å²	64.2	48%	0.479	31%	0.305	S	S	.	.	H	α-helix	trans	-60.1	-34.1	177	0	0	0	0	0	113	V182 I184 W188 Y189	V182-A186 WeakPolarHBondContact O-CB 3.49Å; V182-A186 PolarHBondContact O-N 3.27Å; I184-A186 PolarHBondContact O-N 3.38Å; A186-W188 PolarHBondContact O-N 3.45Å; A186-Y189 PolarHBondContact O-N 2.75Å
187	K	87.8	Confident	87.4	Confident	165 Å²	165	69.8 Å²	69.8	72%	0.717	33%	0.326	S	S	*	.	H	α-helix	trans	-62.8	-31.2	177.6	-65.1	178.1	-177.1	176.3	0	112.8	I184 K185	I184-K187 PolarHBondContact O-N 3.28Å; K185-K187 VanDerWaalsContact C-N 3.27Å; K185-K187 PolarHBondContact O-N 2.94Å
188	W	86.2	Confident	87	Confident	93 Å²	93	77.9 Å²	77.9	35%	0.352	36%	0.355	S	S	.	.	H	α-helix	trans	-98.3	-9.8	-176	-62	100.5	0	0	0	113.6	K185 A186 W190 S191 D192 K486	K185-W188 PolarHBondContact O-N 3.37Å; K185-W188 VanDerWaalsContact O-N 3.14Å; A186-W188 PolarHBondContact O-N 3.45Å; W188-W190 VanDerWaalsContact C-N 3.28Å; W188-W190 PolarHBondContact O-N 2.94Å; W188-W190 VanDerWaalsContact O-N 3.14Å; W188-S191 PolarHBondContact O-N 3.02Å; W188-S191 PolarHBondContact O-OG 3.27Å; W188-D192 PolarHBondContact O-N 3.44Å; W188-D192 VanDerWaalsContact O-N 3.14Å; W188-K486 HydrophobicContact CB-CD 4.22Å; W188-K486 HydrophobicContact CB-CG 4.33Å; W188-K486 HydrophobicContact CD2-CG 4.14Å; W188-K486 HydrophobicContact CE3-CG 4.13Å; W188-K486 HydrophobicContact CG-CB 4.39Å; W188-K486 HydrophobicContact CG-CG 4.24Å
189	Y	86.3	Confident	86.4	Confident	107 Å²	107	80.4 Å²	80.4	42%	0.42	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-38.7	-170.3	-169.3	-97.1	0	0	0	113.7	K185 A186 D192 F193	K185-Y189 PolarHBondContact O-N 2.9Å; K185-Y189 VanDerWaalsContact O-N 3.16Å; A186-Y189 PolarHBondContact O-N 2.75Å; Y189-D192 WeakPolarHBondContact O-CB 3.38Å; Y189-F193 HydrophobicContact CD1-CE2 4.26Å; Y189-F193 AromaticContact CE1-CE2 3.73Å; Y189-F193 HydrophobicContact CE1-CE2 3.73Å; Y189-F193 AromaticContact CZ-CE2 3.9Å; Y189-F193 WeakPolarHBondContact O-CD2 3.34Å
190	W	86.7	Confident	85.9	Confident	181 Å²	181	79.3 Å²	79.3	69%	0.686	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-36.5	176.6	-73.7	106.9	0	0	0	112.9	W188 D192 F193 Y194	W188-W190 VanDerWaalsContact C-N 3.28Å; W188-W190 PolarHBondContact O-N 2.94Å; W188-W190 VanDerWaalsContact O-N 3.14Å; W190-D192 PolarHBondContact O-N 3.19Å; W190-F193 PolarHBondContact O-N 2.96Å; W190-Y194 HydrophobicContact CE3-CE2 4.3Å; W190-Y194 WeakPolarHBondContact O-CD2 3.21Å; W190-Y194 PolarHBondContact O-N 3.22Å
191	S	86.9	Confident	85.8	Confident	30 Å²	30	80.9 Å²	80.9	21%	0.21	38%	0.378	C	S	.	.	H	α-helix	trans	-65.8	-31.1	178.7	102.2	0	0	0	0	111	W188 F193 Y194 D195 K486	W188-S191 PolarHBondContact O-N 3.02Å; W188-S191 PolarHBondContact O-OG 3.27Å; S191-F193 PolarHBondContact O-N 3.48Å; S191-F193 VanDerWaalsContact O-N 3.07Å; S191-Y194 PolarHBondContact O-N 3.44Å; S191-Y194 VanDerWaalsContact O-N 3.16Å; S191-D195 WeakPolarHBondContact CB-OD2 3.27Å; S191-D195 WeakPolarHBondContact O-CB 3.45Å; S191-D195 PolarHBondContact O-N 3.41Å; S191-D195 PolarHBondContact OG-OD2 2.94Å; S191-K486 VanDerWaalsContact OG-CE 3.27Å; S191-K486 WeakPolarHBondContact OG-CE 3.48Å; S191-K486 PolarHBondContact OG-NZ 3.16Å; S191-K486 VanDerWaalsContact OG-NZ 3.16Å
192	D	85.5	Confident	85.6	Confident	13 Å²	13	83 Å²	83	7%	0.07	39%	0.392	C	S	.	.	H	α-helix	trans	-55	-27.3	174.9	-71	-11	0	0	0	114.7	W188 Y189 W190 K486 Q547 R548	W188-D192 PolarHBondContact O-N 3.44Å; W188-D192 VanDerWaalsContact O-N 3.14Å; Y189-D192 WeakPolarHBondContact O-CB 3.38Å; W190-D192 PolarHBondContact O-N 3.19Å; D192-K486 WeakPolarHBondContact OD1-CD 3.39Å; D192-K486 WeakPolarHBondContact OD1-CE 3.33Å; D192-K486 IonicContact OD1-NZ 3.87Å; D192-K486 PolarHBondContact OD1-NZ 3.37Å; D192-Q547 WeakPolarHBondContact O-CA 3.47Å; D192-R548 HydrophobicContact CB-CB 4.44Å; D192-R548 HydrophobicContact CB-CG 3.94Å; D192-R548 PolarHBondContact O-N 3.37Å; D192-R548 IonicContact OD2-CZ 2.84Å; D192-R548 IonicContact OD2-NE 2.7Å; D192-R548 PolarHBondContact OD2-NE 3.31Å; D192-R548 IonicContact OD2-NH2 3.5Å; D192-R548 PolarHBondContact OD2-NH2 2.89Å
193	F	88.1	Confident	85.5	Confident	57 Å²	57	80.4 Å²	80.4	25%	0.25	38%	0.376	C	S	.	.	H	α-helix	trans	-91.5	-38.6	177.4	-69.3	-84.9	0	0	0	112.3	Y189 W190 S191 A196 F197 R548 V549 L552	Y189-F193 HydrophobicContact CD1-CE2 4.26Å; Y189-F193 AromaticContact CE1-CE2 3.73Å; Y189-F193 HydrophobicContact CE1-CE2 3.73Å; Y189-F193 AromaticContact CZ-CE2 3.9Å; Y189-F193 WeakPolarHBondContact O-CD2 3.34Å; W190-F193 PolarHBondContact O-N 2.96Å; S191-F193 PolarHBondContact O-N 3.48Å; S191-F193 VanDerWaalsContact O-N 3.07Å; F193-A196 WeakPolarHBondContact O-CB 3.08Å; F193-F197 WeakPolarHBondContact O-CD2 3.18Å; F193-F197 WeakPolarHBondContact O-CE2 3.46Å; F193-R548 HydrophobicContact CE1-CB 4.48Å; F193-R548 HydrophobicContact CZ-CB 4.4Å; F193-V549 HydrophobicContact CD1-CG2 3.94Å; F193-L552 HydrophobicContact CE1-CD2 4.26Å
194	Y	86.5	Confident	85.5	Confident	148 Å²	148	74.7 Å²	74.7	58%	0.58	35%	0.351	S	S	*	.	H	α-helix	trans	-78.3	-33.4	-179.8	-68.8	-67.9	0	0	0	113.2	W190 S191 A196 F197 R198	W190-Y194 HydrophobicContact CE3-CE2 4.3Å; W190-Y194 WeakPolarHBondContact O-CD2 3.21Å; W190-Y194 PolarHBondContact O-N 3.22Å; S191-Y194 PolarHBondContact O-N 3.44Å; S191-Y194 VanDerWaalsContact O-N 3.16Å; Y194-A196 PolarHBondContact O-N 3.14Å; Y194-F197 PolarHBondContact O-N 3.32Å; Y194-R198 PolarHBondContact O-N 3.14Å
195	D	85.7	Confident	85.6	Confident	32 Å²	32	75.9 Å²	75.9	17%	0.171	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-62.8	-25.3	177.8	-67.8	-30.6	0	0	0	111.1	S191 F197 R198 K486 K545	S191-D195 WeakPolarHBondContact CB-OD2 3.27Å; S191-D195 WeakPolarHBondContact O-CB 3.45Å; S191-D195 PolarHBondContact O-N 3.41Å; S191-D195 PolarHBondContact OG-OD2 2.94Å; D195-F197 PolarHBondContact O-N 3.4Å; D195-R198 PolarHBondContact O-N 3.38Å; D195-R198 IonicContact OD1-NH1 3.01Å; D195-K486 WeakPolarHBondContact OD2-CE 3.34Å; D195-K486 IonicContact OD2-NZ 3.25Å; D195-K486 PolarHBondContact OD2-NZ 3.36Å; D195-K545 WeakPolarHBondContact O-CE 3.44Å
196	A	85	Confident	85.6	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-57.9	-34.6	171.8	0	0	0	0	0	114	F193 Y194 K545 Q547 V549	F193-A196 WeakPolarHBondContact O-CB 3.08Å; Y194-A196 PolarHBondContact O-N 3.14Å; A196-K545 WeakPolarHBondContact O-CE 3.45Å; A196-K545 PolarHBondContact O-NZ 3.47Å; A196-Q547 HydrophobicContact CB-CB 4.06Å; A196-V549 HydrophobicContact CB-CB 3.62Å; A196-V549 HydrophobicContact CB-CG1 4.24Å; A196-V549 HydrophobicContact CB-CG2 3.41Å; A196-V549 VanDerWaalsContact CB-CG2 3.41Å
197	F	85.7	Confident	85.7	Confident	130 Å²	130	71.5 Å²	71.5	57%	0.57	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-93.1	-9.1	-179	-60.6	-80.1	0	0	0	112.6	F193 Y194 D195 F201	F193-F197 WeakPolarHBondContact O-CD2 3.18Å; F193-F197 WeakPolarHBondContact O-CE2 3.46Å; Y194-F197 PolarHBondContact O-N 3.32Å; D195-F197 PolarHBondContact O-N 3.4Å; F197-F201 AromaticContact CD1-CD2 3.9Å; F197-F201 HydrophobicContact CD1-CD2 3.9Å; F197-F201 AromaticContact CD1-CE2 3.63Å; F197-F201 HydrophobicContact CD1-CE2 3.63Å; F197-F201 HydrophobicContact CE1-CD2 4.35Å; F197-F201 AromaticContact CE1-CE2 3.61Å; F197-F201 HydrophobicContact CE1-CE2 3.61Å; F197-F201 HydrophobicContact CE1-CZ 4.3Å
198	R	77.8	Confident	85.8	Confident	174 Å²	174	63.8 Å²	63.8	66%	0.657	30%	0.297	S	S	*	.	S	Bend	trans	-79.7	141.2	175.7	-71.7	180	170.9	179.2	-6.2	111.5	Y194 D195 K545	Y194-R198 PolarHBondContact O-N 3.14Å; D195-R198 PolarHBondContact O-N 3.38Å; D195-R198 IonicContact OD1-NH1 3.01Å; R198-K545 WeakPolarHBondContact O-CE 3.48Å; R198-K545 PolarHBondContact O-NZ 2.96Å
199	G	76.6	Confident	85.8	Confident	78 Å²	78	61.5 Å²	61.5	80%	0.804	29%	0.292	S	S	*	.	S	Bend	trans	73.7	-136.9	179.1	0	0	0	0	0	113.4	F201	G199-F201 PolarHBondContact O-N 2.81Å
200	R	79.7	Confident	85.8	Confident	71 Å²	71	57.1 Å²	57.1	27%	0.268	28%	0.275	S	S	.	.			trans	-78.9	100.5	-178.1	-62.2	-175.9	-154.8	147.4	8.2	110.9	T202 Q203 N397 E531	R200-T202 VanDerWaalsContact C-N 3.29Å; R200-T202 PolarHBondContact O-N 3.39Å; R200-Q203 HydrophobicContact CB-CB 4.35Å; R200-N397 PolarHBondContact NH1-ND2 3.23Å; R200-E531 IonicContact CZ-OE1 3.42Å; R200-E531 IonicContact NE-OE1 3.61Å; R200-E531 IonicContact NH2-OE1 2.93Å; R200-E531 PolarHBondContact NH2-OE1 3.14Å
201	F	84.5	Confident	85.8	Confident	99 Å²	99	48.9 Å²	48.9	43%	0.434	24%	0.244	S	C	.	.	H	α-helix	trans	-64.5	-32.9	175.2	-177.6	-112.2	0	0	0	112.6	F197 G199 Q203 T204 V205	F197-F201 AromaticContact CD1-CD2 3.9Å; F197-F201 HydrophobicContact CD1-CD2 3.9Å; F197-F201 AromaticContact CD1-CE2 3.63Å; F197-F201 HydrophobicContact CD1-CE2 3.63Å; F197-F201 HydrophobicContact CE1-CD2 4.35Å; F197-F201 AromaticContact CE1-CE2 3.61Å; F197-F201 HydrophobicContact CE1-CE2 3.61Å; F197-F201 HydrophobicContact CE1-CZ 4.3Å; G199-F201 PolarHBondContact O-N 2.81Å; F201-Q203 VanDerWaalsContact C-N 3.28Å; F201-Q203 PolarHBondContact O-N 2.84Å; F201-T204 WeakPolarHBondContact O-CB 3.38Å; F201-T204 PolarHBondContact O-N 3.42Å; F201-V205 HydrophobicContact CD1-CG2 3.89Å; F201-V205 HydrophobicContact CE1-CG2 3.42Å; F201-V205 VanDerWaalsContact CE1-CG2 3.42Å; F201-V205 HydrophobicContact CE2-CG2 4.25Å; F201-V205 HydrophobicContact CG-CG2 4.49Å; F201-V205 HydrophobicContact CZ-CG2 3.62Å; F201-V205 PolarHBondContact O-N 3.16Å; F201-V205 VanDerWaalsContact O-N 3.11Å
202	T	85.6	Confident	85.7	Confident	55 Å²	55	48 Å²	48	34%	0.337	24%	0.237	S	C	.	.	H	α-helix	trans	-55.1	-41.1	178.5	52.8	0	0	0	0	112.9	R200 T204 V205 A206 T398	R200-T202 VanDerWaalsContact C-N 3.29Å; R200-T202 PolarHBondContact O-N 3.39Å; T202-T204 VanDerWaalsContact C-N 3.3Å; T202-T204 PolarHBondContact O-N 3.02Å; T202-V205 PolarHBondContact O-N 3.43Å; T202-A206 WeakPolarHBondContact O-CB 3.27Å; T202-A206 PolarHBondContact O-N 3.46Å; T202-T398 HydrophobicContact CG2-CG2 4.32Å
203	Q	88.2	Confident	85.4	Confident	12 Å²	12	49 Å²	49	6%	0.056	24%	0.24	C	C	.	.	H	α-helix	trans	-61.2	-40	177.2	-177.3	-179.7	18.1	0	0	111.8	R200 F201 A206 A207 S525 L526 R527	R200-Q203 HydrophobicContact CB-CB 4.35Å; F201-Q203 VanDerWaalsContact C-N 3.28Å; F201-Q203 PolarHBondContact O-N 2.84Å; Q203-A206 PolarHBondContact O-N 3.31Å; Q203-A207 VanDerWaalsContact O-CB 3.32Å; Q203-A207 WeakPolarHBondContact O-CB 3.22Å; Q203-A207 PolarHBondContact O-N 3.26Å; Q203-S525 VanDerWaalsContact CG-O 3.25Å; Q203-S525 WeakPolarHBondContact CG-O 3.2Å; Q203-S525 PolarHBondContact NE2-O 3.21Å; Q203-L526 HydrophobicContact CG-CD2 4.49Å; Q203-L526 VanDerWaalsContact NE2-C 3.35Å; Q203-R527 PolarHBondContact NE2-O 3.02Å
204	T	89.9	Confident	85	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.006	23%	0.229	C	C	.	.	H	α-helix	trans	-68.7	-40.8	179.6	-61.6	0	0	0	0	111.4	F201 T202 A208 K545 Q547 T550	F201-T204 WeakPolarHBondContact O-CB 3.38Å; F201-T204 PolarHBondContact O-N 3.42Å; T202-T204 VanDerWaalsContact C-N 3.3Å; T202-T204 PolarHBondContact O-N 3.02Å; T204-A208 WeakPolarHBondContact O-CB 3.44Å; T204-A208 PolarHBondContact O-N 3.3Å; T204-K545 PolarHBondContact OG1-NZ 2.79Å; T204-Q547 PolarHBondContact OG1-NE2 2.86Å; T204-Q547 VanDerWaalsContact OG1-NE2 3.1Å; T204-T550 HydrophobicContact CG2-CG2 3.74Å; T204-T550 WeakPolarHBondContact O-CG2 3.36Å
205	V	89.7	Confident	84.7	Confident	48 Å²	48	40 Å²	40	29%	0.291	21%	0.205	S	C	.	.	H	α-helix	trans	-64.1	-45.9	174.4	176.5	0	0	0	0	110.9	F201 T202 A207 A208 I209 F402	F201-V205 HydrophobicContact CD1-CG2 3.89Å; F201-V205 HydrophobicContact CE1-CG2 3.42Å; F201-V205 VanDerWaalsContact CE1-CG2 3.42Å; F201-V205 HydrophobicContact CE2-CG2 4.25Å; F201-V205 HydrophobicContact CG-CG2 4.49Å; F201-V205 HydrophobicContact CZ-CG2 3.62Å; F201-V205 PolarHBondContact O-N 3.16Å; F201-V205 VanDerWaalsContact O-N 3.11Å; T202-V205 PolarHBondContact O-N 3.43Å; V205-A207 PolarHBondContact O-N 2.74Å; V205-A208 PolarHBondContact O-N 3.39Å; V205-I209 HydrophobicContact CG1-CD1 3.88Å; V205-I209 WeakPolarHBondContact O-CG1 3.42Å; V205-I209 PolarHBondContact O-N 3.44Å; V205-F402 HydrophobicContact CB-CZ 4.42Å; V205-F402 HydrophobicContact CG1-CE1 4.5Å; V205-F402 HydrophobicContact CG1-CZ 4.16Å
206	A	87.9	Confident	84.2	Confident	5 Å²	5	39.2 Å²	39.2	4%	0.041	20%	0.201	C	C	.	.	H	α-helix	trans	-60.5	-45.3	177.9	0	0	0	0	0	112.1	T202 Q203 A208 I209 F210 D401 F402	T202-A206 WeakPolarHBondContact O-CB 3.27Å; T202-A206 PolarHBondContact O-N 3.46Å; Q203-A206 PolarHBondContact O-N 3.31Å; A206-A208 VanDerWaalsContact C-N 3.32Å; A206-A208 PolarHBondContact O-N 3.44Å; A206-I209 PolarHBondContact O-N 2.99Å; A206-F210 WeakPolarHBondContact O-CB 3.21Å; A206-F210 PolarHBondContact O-N 3.13Å; A206-D401 HydrophobicContact CB-CB 4.15Å; A206-D401 WeakPolarHBondContact CB-O 3.4Å; A206-F402 HydrophobicContact CB-CD1 4.04Å; A206-F402 HydrophobicContact CB-CD2 4Å; A206-F402 HydrophobicContact CB-CE1 3.97Å; A206-F402 HydrophobicContact CB-CE2 3.93Å; A206-F402 HydrophobicContact CB-CG 4.06Å; A206-F402 HydrophobicContact CB-CZ 3.92Å
207	A	89.7	Confident	83.7	Confident	2 Å²	2	39.4 Å²	39.4	2%	0.017	20%	0.203	C	C	.	.	H	α-helix	trans	-61.4	-37.8	175.6	0	0	0	0	0	112.8	Q203 V205 L211 S525 L526 T550	Q203-A207 VanDerWaalsContact O-CB 3.32Å; Q203-A207 WeakPolarHBondContact O-CB 3.22Å; Q203-A207 PolarHBondContact O-N 3.26Å; V205-A207 PolarHBondContact O-N 2.74Å; A207-L211 WeakPolarHBondContact O-CB 3.46Å; A207-L211 WeakPolarHBondContact O-CG 3.5Å; A207-L211 PolarHBondContact O-N 3.2Å; A207-S525 VanDerWaalsContact CB-OG 3.29Å; A207-S525 WeakPolarHBondContact CB-OG 3.48Å; A207-L526 HydrophobicContact CB-CD2 3.78Å; A207-L526 HydrophobicContact CB-CG 4.34Å; A207-T550 HydrophobicContact CB-CG2 4Å
208	A	90.6	Very high	83.1	Confident	3 Å²	3	34.2 Å²	34.2	3%	0.025	18%	0.18	C	C	.	.	H	α-helix	trans	-66.9	-42.8	176.4	0	0	0	0	0	112.2	T204 V205 A206 L211 F212 I553	T204-A208 WeakPolarHBondContact O-CB 3.44Å; T204-A208 PolarHBondContact O-N 3.3Å; V205-A208 PolarHBondContact O-N 3.39Å; A206-A208 VanDerWaalsContact C-N 3.32Å; A206-A208 PolarHBondContact O-N 3.44Å; A208-L211 PolarHBondContact O-N 2.61Å; A208-F212 WeakPolarHBondContact O-CB 3.39Å; A208-F212 PolarHBondContact O-N 3.04Å; A208-I553 HydrophobicContact CB-CB 4.17Å; A208-I553 HydrophobicContact CB-CG2 3.98Å
209	I	86.2	Confident	82.8	Confident	45 Å²	45	27.8 Å²	27.8	23%	0.231	16%	0.158	C	C	.	.	H	α-helix	trans	-65.5	-42.6	176.1	-66.8	165.1	0	0	0	110.6	V205 A206 F212 F213 F402 T405	V205-I209 HydrophobicContact CG1-CD1 3.88Å; V205-I209 WeakPolarHBondContact O-CG1 3.42Å; V205-I209 PolarHBondContact O-N 3.44Å; A206-I209 PolarHBondContact O-N 2.99Å; I209-F212 WeakPolarHBondContact O-CB 3.42Å; I209-F212 PolarHBondContact O-N 3.42Å; I209-F213 HydrophobicContact CG2-CD2 3.74Å; I209-F213 HydrophobicContact CG2-CE2 3.55Å; I209-F213 WeakPolarHBondContact O-CD2 3.16Å; I209-F213 PolarHBondContact O-N 2.66Å; I209-F402 HydrophobicContact CD1-CE1 3.92Å; I209-T405 HydrophobicContact CG2-CG2 4.1Å; I209-T405 WeakPolarHBondContact CG2-OG1 3.39Å
210	F	84.9	Confident	82.3	Confident	15 Å²	15	26 Å²	26	7%	0.066	13%	0.13	C	C	.	.	H	α-helix	trans	-57.1	-51.5	173.8	167	-99.9	0	0	0	111.5	A206 F212 F213 A214 V404 M521 M591	A206-F210 WeakPolarHBondContact O-CB 3.21Å; A206-F210 PolarHBondContact O-N 3.13Å; F210-F212 VanDerWaalsContact C-N 3.27Å; F210-F212 PolarHBondContact O-N 3.11Å; F210-F213 PolarHBondContact O-N 3.37Å; F210-A214 HydrophobicContact CZ-CB 4.42Å; F210-A214 VanDerWaalsContact O-CB 3.32Å; F210-A214 WeakPolarHBondContact O-CB 3.5Å; F210-A214 PolarHBondContact O-N 2.87Å; F210-V404 HydrophobicContact CD2-CB 4.38Å; F210-V404 HydrophobicContact CD2-CG1 4.19Å; F210-V404 HydrophobicContact CD2-CG2 4.16Å; F210-V404 HydrophobicContact CE2-CG2 4.47Å; F210-M521 HydrophobicContact CE1-CB 3.71Å; F210-M521 HydrophobicContact CZ-CB 3.51Å; F210-M521 HydrophobicContact CZ-CE 4.45Å; F210-M521 HydrophobicContact CZ-CG 4.23Å; F210-M591 HydrophobicContact CE2-CE 3.74Å; F210-M591 HydrophobicContact CE2-CG 3.84Å; F210-M591 HydrophobicContact CE2-SD 3.52Å; F210-M591 VanDerWaalsContact CE2-SD 3.52Å; F210-M591 HydrophobicContact CZ-CE 4.23Å; F210-M591 HydrophobicContact CZ-CG 4.01Å; F210-M591 HydrophobicContact CZ-SD 3.47Å; F210-M591 WeakPolarHBondContact CZ-SD 3.29Å
211	L	86.4	Confident	81.6	Confident	9 Å²	9	23.8 Å²	23.8	5%	0.047	12%	0.124	C	C	.	.	H	α-helix	trans	-59.2	-39.4	177.3	-83.4	179.4	0	0	0	112.1	A207 A208 N215 I518 H522 A554	A207-L211 WeakPolarHBondContact O-CB 3.46Å; A207-L211 WeakPolarHBondContact O-CG 3.5Å; A207-L211 PolarHBondContact O-N 3.2Å; A208-L211 PolarHBondContact O-N 2.61Å; L211-N215 VanDerWaalsContact O-CB 3.26Å; L211-N215 WeakPolarHBondContact O-CB 3.27Å; L211-N215 VanDerWaalsContact O-CG 3.25Å; L211-N215 PolarHBondContact O-N 2.64Å; L211-N215 PolarHBondContact O-ND2 3.11Å; L211-I518 HydrophobicContact CD2-CG2 3.49Å; L211-I518 VanDerWaalsContact CD2-CG2 3.49Å; L211-H522 VanDerWaalsContact CD1-CD2 3.48Å; L211-H522 WeakPolarHBondContact CD1-CD2 3.06Å; L211-H522 HydrophobicContact CD2-CB 3.95Å; L211-H522 HydrophobicContact CG-CB 4.43Å; L211-A554 HydrophobicContact CB-CB 3.72Å
212	F	84.5	Confident	80.8	Confident	11 Å²	11	20.4 Å²	20.4	5%	0.048	11%	0.11	C	C	.	.	H	α-helix	trans	-58.9	-54	176.1	170.5	-101.2	0	0	0	111.4	A208 I209 F210 N215 V216 A554 L557 I558 L572 L576	A208-F212 WeakPolarHBondContact O-CB 3.39Å; A208-F212 PolarHBondContact O-N 3.04Å; I209-F212 WeakPolarHBondContact O-CB 3.42Å; I209-F212 PolarHBondContact O-N 3.42Å; F210-F212 VanDerWaalsContact C-N 3.27Å; F210-F212 PolarHBondContact O-N 3.11Å; F212-N215 PolarHBondContact O-N 2.95Å; F212-V216 HydrophobicContact CD2-CG2 4.07Å; F212-V216 HydrophobicContact CE1-CG2 4.32Å; F212-V216 HydrophobicContact CE2-CG2 3.72Å; F212-V216 HydrophobicContact CZ-CG2 3.86Å; F212-V216 WeakPolarHBondContact O-CB 3.3Å; F212-V216 VanDerWaalsContact O-CG2 3.26Å; F212-V216 WeakPolarHBondContact O-CG2 3.17Å; F212-V216 PolarHBondContact O-N 2.93Å; F212-A554 HydrophobicContact CB-CB 4.38Å; F212-L557 HydrophobicContact CB-CD1 4.44Å; F212-L557 HydrophobicContact CD2-CB 3.52Å; F212-L557 HydrophobicContact CD2-CD1 4.3Å; F212-L557 HydrophobicContact CE2-CB 3.73Å; F212-L557 HydrophobicContact CG-CB 4.37Å; F212-L557 HydrophobicContact CG-CD1 4.35Å; F212-I558 HydrophobicContact CD2-CG1 3.79Å; F212-I558 HydrophobicContact CE2-CG1 3.96Å; F212-L572 HydrophobicContact CZ-CD2 4.1Å; F212-L576 HydrophobicContact CE1-CD2 3.9Å; F212-L576 HydrophobicContact CZ-CD1 4.29Å; F212-L576 HydrophobicContact CZ-CD2 3.98Å
213	F	80.2	Confident	79.8	Confident	33 Å²	33	18.1 Å²	18.1	15%	0.145	10%	0.096	C	C	.	.	H	α-helix	trans	-66.2	-39.5	179.4	-74.2	-61.2	0	0	0	112.9	I209 F210 N215 V216 S217 I408 L576 I579	I209-F213 HydrophobicContact CG2-CD2 3.74Å; I209-F213 HydrophobicContact CG2-CE2 3.55Å; I209-F213 WeakPolarHBondContact O-CD2 3.16Å; I209-F213 PolarHBondContact O-N 2.66Å; F210-F213 PolarHBondContact O-N 3.37Å; F213-N215 VanDerWaalsContact C-N 3.34Å; F213-N215 PolarHBondContact O-N 3.16Å; F213-V216 PolarHBondContact O-N 3.35Å; F213-S217 WeakPolarHBondContact O-CB 3.46Å; F213-S217 PolarHBondContact O-N 3.44Å; F213-I408 HydrophobicContact CB-CD1 4.29Å; F213-I408 HydrophobicContact CD1-CD1 4.49Å; F213-I408 HydrophobicContact CD2-CD1 3.87Å; F213-I408 HydrophobicContact CE2-CD1 4.3Å; F213-I408 HydrophobicContact CG-CD1 3.97Å; F213-L576 HydrophobicContact CE1-CD2 4.23Å; F213-I579 HydrophobicContact CD1-CD1 4.26Å; F213-I579 HydrophobicContact CE1-CD1 3.45Å; F213-I579 VanDerWaalsContact CE1-CD1 3.45Å; F213-I579 HydrophobicContact CZ-CD1 4.09Å
214	A	79.5	Confident	78.6	Confident	1 Å²	1	19.5 Å²	19.5	1%	0.008	11%	0.114	C	C	.	.	H	α-helix	trans	-61.5	-43.5	177.5	0	0	0	0	0	111.6	F210 K218 I518 M591	F210-A214 HydrophobicContact CZ-CB 4.42Å; F210-A214 VanDerWaalsContact O-CB 3.32Å; F210-A214 WeakPolarHBondContact O-CB 3.5Å; F210-A214 PolarHBondContact O-N 2.87Å; A214-K218 WeakPolarHBondContact O-CG 3.49Å; A214-K218 PolarHBondContact O-N 2.92Å; A214-K218 VanDerWaalsContact O-N 3.15Å; A214-I518 HydrophobicContact CB-CD1 4.19Å; A214-I518 HydrophobicContact CB-CG1 4.38Å; A214-M591 HydrophobicContact CB-CE 4.15Å; A214-M591 HydrophobicContact CB-SD 4.41Å
215	N	80.4	Confident	77.4	Confident	15 Å²	15	22.2 Å²	22.2	8%	0.08	13%	0.131	C	C	.	.	H	α-helix	trans	-69.8	-50	176.7	-74.1	-29.1	0	0	0	111.4	L211 F212 F213 S217 K218 I219 I558	L211-N215 VanDerWaalsContact O-CB 3.26Å; L211-N215 WeakPolarHBondContact O-CB 3.27Å; L211-N215 VanDerWaalsContact O-CG 3.25Å; L211-N215 PolarHBondContact O-N 2.64Å; L211-N215 PolarHBondContact O-ND2 3.11Å; F212-N215 PolarHBondContact O-N 2.95Å; F213-N215 VanDerWaalsContact C-N 3.34Å; F213-N215 PolarHBondContact O-N 3.16Å; N215-S217 VanDerWaalsContact C-N 3.28Å; N215-S217 PolarHBondContact O-N 3.13Å; N215-K218 PolarHBondContact O-N 3.37Å; N215-K218 VanDerWaalsContact O-N 3.12Å; N215-I219 WeakPolarHBondContact O-CG1 3.15Å; N215-I219 PolarHBondContact O-N 3.39Å; N215-I558 HydrophobicContact CB-CD1 3.6Å
216	V	76.3	Confident	76.3	Confident	16 Å²	16	20 Å²	20	10%	0.097	12%	0.117	C	C	.	.	H	α-helix	trans	-55.5	-45.3	178.6	168.7	0	0	0	0	111.3	F212 F213 K218 I219 I220 L425 I558	F212-V216 HydrophobicContact CD2-CG2 4.07Å; F212-V216 HydrophobicContact CE1-CG2 4.32Å; F212-V216 HydrophobicContact CE2-CG2 3.72Å; F212-V216 HydrophobicContact CZ-CG2 3.86Å; F212-V216 WeakPolarHBondContact O-CB 3.3Å; F212-V216 VanDerWaalsContact O-CG2 3.26Å; F212-V216 WeakPolarHBondContact O-CG2 3.17Å; F212-V216 PolarHBondContact O-N 2.93Å; F213-V216 PolarHBondContact O-N 3.35Å; V216-K218 PolarHBondContact O-N 2.91Å; V216-I219 WeakPolarHBondContact O-CB 3.38Å; V216-I219 PolarHBondContact O-N 3.15Å; V216-I220 HydrophobicContact CG1-CD1 3.79Å; V216-I220 WeakPolarHBondContact O-CG1 3.5Å; V216-I220 PolarHBondContact O-N 2.7Å; V216-L425 HydrophobicContact CG1-CD2 4.1Å; V216-I558 HydrophobicContact CG2-CG1 3.98Å
217	S	72.4	Confident	75.3	Confident	4 Å²	4	21.9 Å²	21.9	3%	0.028	13%	0.126	C	C	.	.	H	α-helix	trans	-65	-40.3	179.5	-175.2	0	0	0	0	112.1	F213 N215 I220 T221 F588	F213-S217 WeakPolarHBondContact O-CB 3.46Å; F213-S217 PolarHBondContact O-N 3.44Å; N215-S217 VanDerWaalsContact C-N 3.28Å; N215-S217 PolarHBondContact O-N 3.13Å; S217-I220 PolarHBondContact O-N 2.73Å; S217-T221 WeakPolarHBondContact O-CG2 3.49Å; S217-T221 PolarHBondContact O-N 2.88Å; S217-T221 PolarHBondContact O-OG1 3.2Å; S217-T221 VanDerWaalsContact O-OG1 3.08Å; S217-F588 WeakPolarHBondContact OG-CE2 3.32Å; S217-F588 WeakPolarHBondContact OG-CZ 3.42Å
218	K	73.3	Confident	74.2	Confident	21 Å²	21	29.1 Å²	29.1	9%	0.091	16%	0.16	C	C	.	.	H	α-helix	trans	-63.9	-42.7	172.9	-80.9	-162	-176.8	179.1	0	112.9	A214 N215 V216 I220 T221 F222 I518 F588	A214-K218 WeakPolarHBondContact O-CG 3.49Å; A214-K218 PolarHBondContact O-N 2.92Å; A214-K218 VanDerWaalsContact O-N 3.15Å; N215-K218 PolarHBondContact O-N 3.37Å; N215-K218 VanDerWaalsContact O-N 3.12Å; V216-K218 PolarHBondContact O-N 2.91Å; K218-I220 PolarHBondContact O-N 2.81Å; K218-T221 PolarHBondContact O-N 3.41Å; K218-T221 PolarHBondContact O-OG1 3.01Å; K218-F222 HydrophobicContact CB-CD2 4.5Å; K218-F222 WeakPolarHBondContact O-CB 3.37Å; K218-F222 PolarHBondContact O-N 3.16Å; K218-I518 HydrophobicContact CD-CD1 3.47Å; K218-I518 VanDerWaalsContact CD-CD1 3.47Å; K218-I518 HydrophobicContact CD-CG1 4.38Å; K218-I518 HydrophobicContact CG-CD1 4.23Å; K218-I518 VanDerWaalsContact NZ-CD1 3.32Å; K218-F588 HydrophobicContact CG-CZ 4.27Å
219	I	72.1	Confident	73.2	Confident	40 Å²	40	31.7 Å²	31.7	21%	0.205	18%	0.175	C	C	.	.	H	α-helix	trans	-56.2	-41.6	177.9	-67.4	167.6	0	0	0	109.6	N215 V216 G223 C237 I558	N215-I219 WeakPolarHBondContact O-CG1 3.15Å; N215-I219 PolarHBondContact O-N 3.39Å; V216-I219 WeakPolarHBondContact O-CB 3.38Å; V216-I219 PolarHBondContact O-N 3.15Å; I219-G223 WeakPolarHBondContact O-CA 3.35Å; I219-G223 PolarHBondContact O-N 3.16Å; I219-C237 WeakPolarHBondContact CB-O 3.36Å; I219-C237 WeakPolarHBondContact CG1-O 3.34Å; I219-C237 VanDerWaalsContact CG2-O 3.26Å; I219-C237 WeakPolarHBondContact CG2-O 3.36Å; I219-I558 HydrophobicContact CD1-CD1 4.2Å; I219-I558 HydrophobicContact CD1-CG2 4.02Å
220	I	67.2	Low	72.4	Confident	41 Å²	41	29.6 Å²	29.6	21%	0.21	16%	0.164	C	C	.	.	H	α-helix	trans	-75	-49.6	-178.3	-66.9	166.1	0	0	0	111.7	V216 S217 K218 G223 G224 L425	V216-I220 HydrophobicContact CG1-CD1 3.79Å; V216-I220 WeakPolarHBondContact O-CG1 3.5Å; V216-I220 PolarHBondContact O-N 2.7Å; S217-I220 PolarHBondContact O-N 2.73Å; K218-I220 PolarHBondContact O-N 2.81Å; I220-G223 PolarHBondContact O-N 3.07Å; I220-G224 PolarHBondContact O-N 3.14Å; I220-L425 HydrophobicContact CD1-CB 3.95Å; I220-L425 HydrophobicContact CD1-CD2 3.21Å; I220-L425 HydrophobicContact CD1-CG 3.63Å
221	T	64.8	Low	71.5	Confident	24 Å²	24	35 Å²	35	15%	0.147	19%	0.19	C	C	.	.	H	α-helix	trans	-66.8	-50.2	-177.7	53.8	0	0	0	0	111.6	S217 K218 G224 V225	S217-T221 WeakPolarHBondContact O-CG2 3.49Å; S217-T221 PolarHBondContact O-N 2.88Å; S217-T221 PolarHBondContact O-OG1 3.2Å; S217-T221 VanDerWaalsContact O-OG1 3.08Å; K218-T221 PolarHBondContact O-N 3.41Å; K218-T221 PolarHBondContact O-OG1 3.01Å; T221-G224 PolarHBondContact O-N 2.68Å; T221-V225 WeakPolarHBondContact O-CG2 3.08Å; T221-V225 PolarHBondContact O-N 2.77Å; T221-V225 VanDerWaalsContact O-N 3.08Å
222	F	65.9	Low	70.5	Confident	28 Å²	28	41.6 Å²	41.6	12%	0.123	22%	0.218	C	C	.	.	H	α-helix	trans	-69.9	-35.9	176.4	-81.1	-86.2	0	0	0	112.1	K218 M226	K218-F222 HydrophobicContact CB-CD2 4.5Å; K218-F222 WeakPolarHBondContact O-CB 3.37Å; K218-F222 PolarHBondContact O-N 3.16Å; F222-M226 WeakPolarHBondContact O-CB 3.47Å; F222-M226 PolarHBondContact O-N 2.97Å
223	G	66.4	Low	69.2	Low	6 Å²	6	43.2 Å²	43.2	6%	0.062	23%	0.226	C	C	.	.	H	α-helix	trans	-60.1	-46.1	174.9	0	0	0	0	0	112	I219 I220 M226 D227	I219-G223 WeakPolarHBondContact O-CA 3.35Å; I219-G223 PolarHBondContact O-N 3.16Å; I220-G223 PolarHBondContact O-N 3.07Å; G223-M226 PolarHBondContact O-N 3.41Å; G223-D227 WeakPolarHBondContact O-CB 3.28Å; G223-D227 PolarHBondContact O-N 2.69Å
224	G	63	Low	68.3	Low	42 Å²	42	41.9 Å²	41.9	43%	0.433	22%	0.22	S	C	.	.	H	α-helix	trans	-65.4	-47.3	178.1	0	0	0	0	0	113.1	I220 T221 M226 D227 H228	I220-G224 PolarHBondContact O-N 3.14Å; T221-G224 PolarHBondContact O-N 2.68Å; G224-M226 VanDerWaalsContact C-N 3.32Å; G224-M226 PolarHBondContact O-N 2.99Å; G224-D227 PolarHBondContact O-N 2.97Å; G224-H228 WeakPolarHBondContact O-CB 3.33Å; G224-H228 PolarHBondContact O-N 2.85Å
225	V	63.5	Low	67	Low	58 Å²	58	44.2 Å²	44.2	35%	0.352	24%	0.235	S	C	.	.	H	α-helix	trans	-61.1	-44	175.8	173.9	0	0	0	0	110.7	T221 H228 V229 L246	T221-V225 WeakPolarHBondContact O-CG2 3.08Å; T221-V225 PolarHBondContact O-N 2.77Å; T221-V225 VanDerWaalsContact O-N 3.08Å; V225-H228 PolarHBondContact O-N 3.17Å; V225-V229 HydrophobicContact CG1-CG2 4.17Å; V225-V229 WeakPolarHBondContact O-CB 3.5Å; V225-V229 WeakPolarHBondContact O-CG2 3.32Å; V225-V229 PolarHBondContact O-N 3.3Å; V225-L246 HydrophobicContact CG1-CD2 3.97Å
226	M	66.3	Low	65.5	Low	2 Å²	2	45 Å²	45	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-70.1	-37.3	-179.3	-169.7	165.3	66.1	0	0	112.3	F222 G223 G224 H228 L230 M234 C237 L246 P510	F222-M226 WeakPolarHBondContact O-CB 3.47Å; F222-M226 PolarHBondContact O-N 2.97Å; G223-M226 PolarHBondContact O-N 3.41Å; G224-M226 VanDerWaalsContact C-N 3.32Å; G224-M226 PolarHBondContact O-N 2.99Å; M226-H228 VanDerWaalsContact C-N 3.34Å; M226-L230 HydrophobicContact CG-CD1 3.49Å; M226-L230 VanDerWaalsContact CG-CD1 3.49Å; M226-L230 HydrophobicContact CG-CG 4.01Å; M226-L230 WeakPolarHBondContact O-CA 3.32Å; M226-L230 WeakPolarHBondContact O-CB 3.18Å; M226-L230 WeakPolarHBondContact O-CG 2.81Å; M226-L230 PolarHBondContact O-N 3.25Å; M226-L230 HydrophobicContact SD-CD1 4.3Å; M226-M234 HydrophobicContact CE-CE 3.46Å; M226-M234 VanDerWaalsContact CE-CE 3.46Å; M226-M234 HydrophobicContact CE-CG 4.25Å; M226-M234 HydrophobicContact CG-CE 3.97Å; M226-M234 HydrophobicContact SD-CE 3.26Å; M226-M234 WeakPolarHBondContact SD-CE 3.35Å; M226-C237 HydrophobicContact CE-CB 3.64Å; M226-C237 WeakPolarHBondContact CE-SG 3.3Å; M226-L246 HydrophobicContact CB-CD1 3.93Å; M226-L246 HydrophobicContact CG-CD1 3.85Å; M226-L246 HydrophobicContact SD-CD1 4.12Å; M226-P510 HydrophobicContact CE-CB 4.23Å; M226-P510 HydrophobicContact CE-CG 3.42Å; M226-P510 VanDerWaalsContact CE-CG 3.42Å; M226-P510 HydrophobicContact SD-CG 4.42Å
227	D	67.6	Low	64.4	Low	43 Å²	43	44.3 Å²	44.3	23%	0.23	24%	0.235	C	C	.	.	H	α-helix	trans	-61.9	-43.4	173	-171.1	69.2	0	0	0	110.8	G223 G224 Q231 K232	G223-D227 WeakPolarHBondContact O-CB 3.28Å; G223-D227 PolarHBondContact O-N 2.69Å; G224-D227 PolarHBondContact O-N 2.97Å; D227-Q231 PolarHBondContact O-N 3.3Å; D227-Q231 VanDerWaalsContact O-N 3.1Å; D227-K232 PolarHBondContact O-N 3.36Å; D227-K232 VanDerWaalsContact OD1-CA 3.32Å; D227-K232 WeakPolarHBondContact OD1-CA 3.35Å
228	H	67.1	Low	63.3	Low	155 Å²	155	46.7 Å²	46.7	72%	0.718	25%	0.249	S	C	*	.	H	α-helix	trans	-64.7	-52.5	176.4	-173.4	75.3	0	0	0	112.1	G224 V225 M226 Q231	G224-H228 WeakPolarHBondContact O-CB 3.33Å; G224-H228 PolarHBondContact O-N 2.85Å; V225-H228 PolarHBondContact O-N 3.17Å; M226-H228 VanDerWaalsContact C-N 3.34Å; H228-Q231 PolarHBondContact O-N 3.33Å
229	V	69.1	Low	62.4	Low	57 Å²	57	47.3 Å²	47.3	35%	0.345	25%	0.253	S	S	.	.	H	α-helix	trans	-72	-35.8	-174.3	-177.5	0	0	0	0	111.9	V225 Q231 V250	V225-V229 HydrophobicContact CG1-CG2 4.17Å; V225-V229 WeakPolarHBondContact O-CB 3.5Å; V225-V229 WeakPolarHBondContact O-CG2 3.32Å; V225-V229 PolarHBondContact O-N 3.3Å; V229-Q231 VanDerWaalsContact C-N 3.27Å; V229-Q231 PolarHBondContact O-N 3.2Å; V229-V250 HydrophobicContact CB-CG2 4.34Å; V229-V250 HydrophobicContact CG1-CB 4.26Å; V229-V250 HydrophobicContact CG1-CG1 3.85Å; V229-V250 HydrophobicContact CG1-CG2 3.38Å
230	L	69.7	Low	61.7	Low	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	9.5	175.4	-56.1	-178.5	0	0	0	113.1	M226 K232 Q233 M234 N253 F263	M226-L230 HydrophobicContact CG-CD1 3.49Å; M226-L230 VanDerWaalsContact CG-CD1 3.49Å; M226-L230 HydrophobicContact CG-CG 4.01Å; M226-L230 WeakPolarHBondContact O-CA 3.32Å; M226-L230 WeakPolarHBondContact O-CB 3.18Å; M226-L230 WeakPolarHBondContact O-CG 2.81Å; M226-L230 PolarHBondContact O-N 3.25Å; M226-L230 HydrophobicContact SD-CD1 4.3Å; L230-K232 PolarHBondContact O-N 3.19Å; L230-Q233 HydrophobicContact CB-CB 4.31Å; L230-Q233 VanDerWaalsContact O-CB 3.28Å; L230-Q233 WeakPolarHBondContact O-CB 3.39Å; L230-Q233 WeakPolarHBondContact O-CG 3.11Å; L230-Q233 PolarHBondContact O-N 2.77Å; L230-Q233 PolarHBondContact O-OE1 2.83Å; L230-M234 HydrophobicContact CD1-CB 4.35Å; L230-M234 HydrophobicContact CD1-CE 3.65Å; L230-N253 HydrophobicContact CD2-CB 3.81Å; L230-N253 WeakPolarHBondContact CD2-ND2 3.07Å; L230-F263 HydrophobicContact CD1-CE1 4.38Å; L230-F263 HydrophobicContact CD1-CZ 4.38Å; L230-F263 HydrophobicContact CD2-CZ 4.31Å
231	Q	66.7	Low	61.5	Low	130 Å²	130	44.8 Å²	44.8	61%	0.607	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.4	51.9	176.5	-63.2	178.3	-29.6	0	0	113.4	D227 H228 V229 Q233	D227-Q231 PolarHBondContact O-N 3.3Å; D227-Q231 VanDerWaalsContact O-N 3.1Å; H228-Q231 PolarHBondContact O-N 3.33Å; V229-Q231 VanDerWaalsContact C-N 3.27Å; V229-Q231 PolarHBondContact O-N 3.2Å; Q231-Q233 PolarHBondContact O-N 3.24Å
232	K	64.2	Low	61.7	Low	147 Å²	147	44.8 Å²	44.8	64%	0.639	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.2	25.5	179.6	-52.4	-177.5	177.4	-177	0	114.5	D227 L230 M234 T434	D227-K232 PolarHBondContact O-N 3.36Å; D227-K232 VanDerWaalsContact OD1-CA 3.32Å; D227-K232 WeakPolarHBondContact OD1-CA 3.35Å; L230-K232 PolarHBondContact O-N 3.19Å; K232-M234 VanDerWaalsContact C-N 3.3Å; K232-T434 VanDerWaalsContact O-CB 3.25Å; K232-T434 WeakPolarHBondContact O-CB 3.45Å; K232-T434 WeakPolarHBondContact O-CG2 3.38Å
233	Q	57.8	Low	62	Low	45 Å²	45	44.3 Å²	44.3	21%	0.21	25%	0.246	C	C	.	.	S	Bend	trans	-77.2	-19.6	171.1	-69.7	174.5	-8.7	0	0	111.7	L230 Q231 N253 F263 T434	L230-Q233 HydrophobicContact CB-CB 4.31Å; L230-Q233 VanDerWaalsContact O-CB 3.28Å; L230-Q233 WeakPolarHBondContact O-CB 3.39Å; L230-Q233 WeakPolarHBondContact O-CG 3.11Å; L230-Q233 PolarHBondContact O-N 2.77Å; L230-Q233 PolarHBondContact O-OE1 2.83Å; Q231-Q233 PolarHBondContact O-N 3.24Å; Q233-N253 PolarHBondContact OE1-OD1 3.37Å; Q233-F263 VanDerWaalsContact OE1-CD1 3.31Å; Q233-T434 VanDerWaalsContact C-OG1 3.3Å; Q233-T434 PolarHBondContact O-OG1 3.17Å
234	M	61	Low	62.4	Low	4 Å²	4	44.6 Å²	44.6	2%	0.02	25%	0.247	C	C	.	.			trans	-153.4	116.8	-175.4	-164.3	158	64.6	0	0	113.3	M226 L230 K232 E249 P510	M226-M234 HydrophobicContact CE-CE 3.46Å; M226-M234 VanDerWaalsContact CE-CE 3.46Å; M226-M234 HydrophobicContact CE-CG 4.25Å; M226-M234 HydrophobicContact CG-CE 3.97Å; M226-M234 HydrophobicContact SD-CE 3.26Å; M226-M234 WeakPolarHBondContact SD-CE 3.35Å; L230-M234 HydrophobicContact CD1-CB 4.35Å; L230-M234 HydrophobicContact CD1-CE 3.65Å; K232-M234 VanDerWaalsContact C-N 3.3Å; M234-E249 VanDerWaalsContact CE-OE2 3.24Å; M234-E249 WeakPolarHBondContact CE-OE2 3.48Å; M234-P510 HydrophobicContact CE-CB 4.39Å; M234-P510 HydrophobicContact CE-CG 3.65Å; M234-P510 HydrophobicContact CG-CG 3.98Å; M234-P510 WeakPolarHBondContact SD-CD 3.49Å; M234-P510 HydrophobicContact SD-CG 3.55Å; M234-P510 VanDerWaalsContact SD-CG 3.55Å
235	P	52	Low	63.2	Low	50 Å²	50	42.8 Å²	42.8	33%	0.325	23%	0.227	S	C	.	.			trans	-111.6	-6.8	-174.8	43.1	-32	0	0	0	112.6	T434	P235-T434 HydrophobicContact CB-CG2 3.66Å; P235-T434 VanDerWaalsContact CD-OG1 3.27Å; P235-T434 WeakPolarHBondContact CD-OG1 3.37Å; P235-T434 HydrophobicContact CG-CG2 3.4Å
236	L	49.7	Very low	63.9	Low	32 Å²	32	41 Å²	41	17%	0.168	22%	0.216	C	C	.	.			trans	-117.2	72.5	-165.4	-136.6	93.9	0	0	0	110.9	V238 F431 P510	L236-V238 HydrophobicContact CB-CG2 4.47Å; L236-V238 HydrophobicContact CD2-CG2 3.36Å; L236-V238 HydrophobicContact CG-CG2 3.72Å; L236-V238 PolarHBondContact O-N 3.44Å; L236-F431 HydrophobicContact CD2-CD2 4.41Å; L236-F431 HydrophobicContact CD2-CE2 3.69Å; L236-F431 HydrophobicContact CD2-CZ 4.43Å; L236-P510 VanDerWaalsContact O-CD 3.28Å; L236-P510 WeakPolarHBondContact O-CD 3.45Å
237	C	52.6	Low	64.5	Low	1 Å²	1	42.4 Å²	42.4	1%	0.007	23%	0.225	C	C	.	.			trans	-78.4	64.2	170.6	-147.1	0	0	0	0	110.4	I219 M226 L239 P510	I219-C237 WeakPolarHBondContact CB-O 3.36Å; I219-C237 WeakPolarHBondContact CG1-O 3.34Å; I219-C237 VanDerWaalsContact CG2-O 3.26Å; I219-C237 WeakPolarHBondContact CG2-O 3.36Å; M226-C237 HydrophobicContact CE-CB 3.64Å; M226-C237 WeakPolarHBondContact CE-SG 3.3Å; C237-L239 PolarHBondContact O-N 3.17Å; C237-L239 VanDerWaalsContact O-N 3.16Å; C237-L239 PolarHBondContact SG-O 3.01Å; C237-L239 VanDerWaalsContact SG-O 3.33Å; C237-P510 HydrophobicContact CB-CG 4.29Å
238	V	48.5	Very low	65.2	Low	55 Å²	55	40.9 Å²	40.9	33%	0.333	22%	0.216	S	C	.	.			trans	-63.2	-19.3	178.1	-176.7	0	0	0	0	111.7	L236	L236-V238 HydrophobicContact CB-CG2 4.47Å; L236-V238 HydrophobicContact CD2-CG2 3.36Å; L236-V238 HydrophobicContact CG-CG2 3.72Å; L236-V238 PolarHBondContact O-N 3.44Å
239	L	54.5	Low	66	Low	34 Å²	34	33.7 Å²	33.7	18%	0.178	18%	0.183	C	C	.	.	S	Bend	trans	-119	143.4	-171.2	-59.6	162.8	0	0	0	109.6	C237 A241 Y512	C237-L239 PolarHBondContact O-N 3.17Å; C237-L239 VanDerWaalsContact O-N 3.16Å; C237-L239 PolarHBondContact SG-O 3.01Å; C237-L239 VanDerWaalsContact SG-O 3.33Å; L239-A241 PolarHBondContact O-N 3.33Å; L239-Y512 HydrophobicContact CB-CD2 3.99Å; L239-Y512 HydrophobicContact CD1-CD2 4.08Å; L239-Y512 HydrophobicContact CD2-CD2 3.47Å; L239-Y512 VanDerWaalsContact CD2-CD2 3.47Å; L239-Y512 HydrophobicContact CD2-CE2 3.78Å; L239-Y512 HydrophobicContact CG-CD2 4.01Å
240	S	57.7	Low	66.7	Low	21 Å²	21	32.3 Å²	32.3	15%	0.147	17%	0.174	C	C	.	.			trans	-65.2	93.4	-175	-75.6	0	0	0	0	111.7
241	A	62.7	Low	67.3	Low	7 Å²	7	34.7 Å²	34.7	6%	0.058	19%	0.187	C	C	.	.			trans	-69.1	138.2	166.5	0	0	0	0	0	110.1	L239	L239-A241 PolarHBondContact O-N 3.33Å
242	T	70.4	Confident	68.2	Low	24 Å²	24	29.2 Å²	29.2	15%	0.147	16%	0.161	C	C	.	.			trans	-91.4	157.9	172.4	63.6	0	0	0	0	110.4	C245 L246 D469 V513 A514	T242-C245 WeakPolarHBondContact O-CB 3.47Å; T242-C245 PolarHBondContact O-N 3.24Å; T242-C245 VanDerWaalsContact O-N 3.13Å; T242-C245 PolarHBondContact OG1-SG 3.21Å; T242-L246 PolarHBondContact O-N 2.95Å; T242-D469 PolarHBondContact OG1-OD2 3.12Å; T242-V513 HydrophobicContact CG2-CB 4.27Å; T242-V513 HydrophobicContact CG2-CG1 3.73Å; T242-A514 WeakPolarHBondContact CG2-O 3.43Å
243	G	72.5	Confident	69.2	Low	18 Å²	18	22.4 Å²	22.4	19%	0.186	13%	0.132	C	C	.	.	H	α-helix	trans	-52.3	-48.5	177.4	0	0	0	0	0	113.3	C245 L246 V247	G243-C245 VanDerWaalsContact C-N 3.3Å; G243-C245 PolarHBondContact O-N 3.5Å; G243-L246 WeakPolarHBondContact O-CB 3.47Å; G243-L246 PolarHBondContact O-N 3.46Å; G243-L246 VanDerWaalsContact O-N 3.16Å; G243-V247 WeakPolarHBondContact O-CG2 3.27Å; G243-V247 PolarHBondContact O-N 2.96Å
244	P	74.8	Confident	70.5	Confident	12 Å²	12	26.1 Å²	26.1	8%	0.078	15%	0.149	C	C	.	.	H	α-helix	trans	-60	-36.2	176.9	-28.6	37.6	0	0	0	113.9	V247 F248 L465	P244-V247 PolarHBondContact O-N 2.83Å; P244-F248 PolarHBondContact O-N 3.42Å; P244-L465 HydrophobicContact CB-CD1 3.74Å; P244-L465 HydrophobicContact CB-CD2 4.45Å; P244-L465 HydrophobicContact CB-CG 4.4Å
245	C	80	Confident	71.7	Confident	3 Å²	3	30.7 Å²	30.7	2%	0.02	17%	0.169	C	C	.	.	H	α-helix	trans	-66.7	-41.4	175.6	-65.9	0	0	0	0	112.1	T242 G243 V247 F248 E249 F462 L465	T242-C245 WeakPolarHBondContact O-CB 3.47Å; T242-C245 PolarHBondContact O-N 3.24Å; T242-C245 VanDerWaalsContact O-N 3.13Å; T242-C245 PolarHBondContact OG1-SG 3.21Å; G243-C245 VanDerWaalsContact C-N 3.3Å; G243-C245 PolarHBondContact O-N 3.5Å; C245-V247 VanDerWaalsContact C-N 3.34Å; C245-V247 PolarHBondContact O-N 3.29Å; C245-F248 PolarHBondContact O-N 3.44Å; C245-E249 WeakPolarHBondContact O-CG 3.34Å; C245-E249 PolarHBondContact O-N 2.81Å; C245-F462 HydrophobicContact CB-CE2 4.09Å; C245-F462 HydrophobicContact CB-CZ 4.42Å; C245-L465 WeakPolarHBondContact SG-CD2 3.5Å
246	L	78	Confident	73.3	Confident	22 Å²	22	28.4 Å²	28.4	12%	0.115	15%	0.154	C	C	.	.	H	α-helix	trans	-59	-46.8	174.6	-177.2	70.3	0	0	0	110.6	V225 M226 T242 G243 F248 E249 V250	V225-L246 HydrophobicContact CG1-CD2 3.97Å; M226-L246 HydrophobicContact CB-CD1 3.93Å; M226-L246 HydrophobicContact CG-CD1 3.85Å; M226-L246 HydrophobicContact SD-CD1 4.12Å; T242-L246 PolarHBondContact O-N 2.95Å; G243-L246 WeakPolarHBondContact O-CB 3.47Å; G243-L246 PolarHBondContact O-N 3.46Å; G243-L246 VanDerWaalsContact O-N 3.16Å; L246-F248 VanDerWaalsContact C-N 3.32Å; L246-F248 PolarHBondContact O-N 3.46Å; L246-E249 PolarHBondContact O-N 3.17Å; L246-E249 VanDerWaalsContact O-N 3.16Å; L246-V250 HydrophobicContact CD1-CG2 4.48Å; L246-V250 HydrophobicContact CG-CG2 4.36Å; L246-V250 VanDerWaalsContact O-CG2 3.22Å; L246-V250 WeakPolarHBondContact O-CG2 3.39Å; L246-V250 PolarHBondContact O-N 3.13Å
247	V	79.1	Confident	75.1	Confident	31 Å²	31	31.3 Å²	31.3	19%	0.188	17%	0.165	C	C	.	.	H	α-helix	trans	-59	-43.8	178.5	175.6	0	0	0	0	111.4	G243 P244 C245 E249 V250 I251	G243-V247 WeakPolarHBondContact O-CG2 3.27Å; G243-V247 PolarHBondContact O-N 2.96Å; P244-V247 PolarHBondContact O-N 2.83Å; C245-V247 VanDerWaalsContact C-N 3.34Å; C245-V247 PolarHBondContact O-N 3.29Å; V247-E249 PolarHBondContact O-N 2.94Å; V247-V250 PolarHBondContact O-N 3.31Å; V247-I251 HydrophobicContact CG1-CD1 3.7Å; V247-I251 HydrophobicContact CG1-CG1 4.46Å; V247-I251 VanDerWaalsContact O-CG1 3.29Å; V247-I251 WeakPolarHBondContact O-CG1 3.25Å; V247-I251 PolarHBondContact O-N 3.13Å
248	F	82	Confident	76.7	Confident	11 Å²	11	39.6 Å²	39.6	5%	0.048	20%	0.201	C	C	.	.	H	α-helix	trans	-59.4	-45.3	175.6	178.7	-92.3	0	0	0	112.1	P244 C245 L246 I251 M252 V270 P458 F462 M654	P244-F248 PolarHBondContact O-N 3.42Å; C245-F248 PolarHBondContact O-N 3.44Å; L246-F248 VanDerWaalsContact C-N 3.32Å; L246-F248 PolarHBondContact O-N 3.46Å; F248-I251 PolarHBondContact O-N 3.31Å; F248-M252 HydrophobicContact CE1-SD 4.38Å; F248-M252 WeakPolarHBondContact O-CB 3.35Å; F248-M252 PolarHBondContact O-N 3.05Å; F248-V270 HydrophobicContact CE1-CG1 4.07Å; F248-V270 HydrophobicContact CZ-CG1 4.03Å; F248-P458 HydrophobicContact CE2-CB 4.09Å; F248-P458 HydrophobicContact CZ-CB 3.92Å; F248-F462 HydrophobicContact CB-CD2 4.18Å; F248-F462 HydrophobicContact CB-CE2 4.34Å; F248-F462 AromaticContact CD1-CD2 3.45Å; F248-F462 HydrophobicContact CD1-CD2 3.45Å; F248-F462 VanDerWaalsContact CD1-CD2 3.45Å; F248-F462 AromaticContact CD1-CE2 3.79Å; F248-F462 HydrophobicContact CD1-CE2 3.79Å; F248-F462 HydrophobicContact CD1-CG 4.06Å; F248-F462 HydrophobicContact CD2-CB 4.48Å; F248-F462 HydrophobicContact CD2-CD2 4.14Å; F248-F462 HydrophobicContact CE1-CB 4.03Å; F248-F462 AromaticContact CE1-CD2 3.76Å; F248-F462 HydrophobicContact CE1-CD2 3.76Å; F248-F462 HydrophobicContact CE1-CE2 4.36Å; F248-F462 AromaticContact CE1-CG 3.87Å; F248-F462 HydrophobicContact CE1-CG 3.87Å; F248-F462 HydrophobicContact CE2-CB 4Å; F248-F462 HydrophobicContact CE2-CD2 4.39Å; F248-F462 AromaticContact CG-CD2 3.65Å; F248-F462 HydrophobicContact CG-CD2 3.65Å; F248-F462 HydrophobicContact CG-CE2 4.16Å; F248-F462 HydrophobicContact CG-CG 4.47Å; F248-F462 HydrophobicContact CZ-CB 3.74Å; F248-F462 HydrophobicContact CZ-CD2 4.21Å; F248-F462 HydrophobicContact CZ-CG 4.11Å; F248-M654 HydrophobicContact CD2-SD 4.37Å
249	E	84.1	Confident	78.5	Confident	4 Å²	4	42.3 Å²	42.3	2%	0.019	21%	0.21	C	C	.	.	H	α-helix	trans	-66	-38.2	179	-69.5	-173.1	-174.8	0	0	112.8	M234 C245 L246 V247 M252 N253 R267	M234-E249 VanDerWaalsContact CE-OE2 3.24Å; M234-E249 WeakPolarHBondContact CE-OE2 3.48Å; C245-E249 WeakPolarHBondContact O-CG 3.34Å; C245-E249 PolarHBondContact O-N 2.81Å; L246-E249 PolarHBondContact O-N 3.17Å; L246-E249 VanDerWaalsContact O-N 3.16Å; V247-E249 PolarHBondContact O-N 2.94Å; E249-M252 PolarHBondContact O-N 2.95Å; E249-N253 WeakPolarHBondContact O-CB 3.15Å; E249-N253 PolarHBondContact O-N 3.32Å; E249-R267 IonicContact OE1-CZ 3.31Å; E249-R267 VanDerWaalsContact OE1-CZ 3.3Å; E249-R267 IonicContact OE1-NH1 2.87Å; E249-R267 PolarHBondContact OE1-NH1 2.97Å; E249-R267 IonicContact OE1-NH2 3.63Å; E249-R267 PolarHBondContact OE1-NH2 3.48Å; E249-R267 IonicContact OE2-CZ 3.48Å; E249-R267 IonicContact OE2-NH1 2.67Å; E249-R267 PolarHBondContact OE2-NH1 3.42Å; E249-R267 IonicContact OE2-NH2 3.13Å
250	V	81.9	Confident	79.8	Confident	27 Å²	27	44.1 Å²	44.1	16%	0.164	24%	0.237	C	C	.	.	H	α-helix	trans	-63.3	-47.3	176.2	173	0	0	0	0	110.9	V229 L246 V247 M252 N253 E254	V229-V250 HydrophobicContact CB-CG2 4.34Å; V229-V250 HydrophobicContact CG1-CB 4.26Å; V229-V250 HydrophobicContact CG1-CG1 3.85Å; V229-V250 HydrophobicContact CG1-CG2 3.38Å; L246-V250 HydrophobicContact CD1-CG2 4.48Å; L246-V250 HydrophobicContact CG-CG2 4.36Å; L246-V250 VanDerWaalsContact O-CG2 3.22Å; L246-V250 WeakPolarHBondContact O-CG2 3.39Å; L246-V250 PolarHBondContact O-N 3.13Å; V247-V250 PolarHBondContact O-N 3.31Å; V250-M252 VanDerWaalsContact C-N 3.3Å; V250-M252 PolarHBondContact O-N 3.26Å; V250-N253 WeakPolarHBondContact O-CB 3.22Å; V250-N253 PolarHBondContact O-N 3.13Å; V250-N253 VanDerWaalsContact O-N 3.14Å; V250-E254 WeakPolarHBondContact O-CG 3.38Å; V250-E254 PolarHBondContact O-N 3.1Å
251	I	83.6	Confident	81	Confident	51 Å²	51	45.3 Å²	45.3	26%	0.262	24%	0.241	S	C	.	.	H	α-helix	trans	-64.6	-38.8	179.2	-64.3	166.1	0	0	0	110.6	V247 F248 E254 F255 M654	V247-I251 HydrophobicContact CG1-CD1 3.7Å; V247-I251 HydrophobicContact CG1-CG1 4.46Å; V247-I251 VanDerWaalsContact O-CG1 3.29Å; V247-I251 WeakPolarHBondContact O-CG1 3.25Å; V247-I251 PolarHBondContact O-N 3.13Å; F248-I251 PolarHBondContact O-N 3.31Å; I251-E254 PolarHBondContact O-N 3.45Å; I251-F255 WeakPolarHBondContact O-CB 3.25Å; I251-F255 PolarHBondContact O-N 3.42Å; I251-M654 HydrophobicContact CB-CE 3.72Å; I251-M654 HydrophobicContact CD1-CE 3.34Å; I251-M654 HydrophobicContact CD1-CG 4.48Å; I251-M654 HydrophobicContact CG1-CE 4.09Å; I251-M654 HydrophobicContact CG2-CE 3.37Å
252	M	85.6	Confident	82	Confident	15 Å²	15	49.1 Å²	49.1	7%	0.074	26%	0.26	C	S	.	.	H	α-helix	trans	-63.8	-40	174.1	-173.7	173.7	69.4	0	0	111.9	F248 E249 V250 F255 C256 F263 L266 R267 V270	F248-M252 HydrophobicContact CE1-SD 4.38Å; F248-M252 WeakPolarHBondContact O-CB 3.35Å; F248-M252 PolarHBondContact O-N 3.05Å; E249-M252 PolarHBondContact O-N 2.95Å; V250-M252 VanDerWaalsContact C-N 3.3Å; V250-M252 PolarHBondContact O-N 3.26Å; M252-F255 PolarHBondContact O-N 3.11Å; M252-C256 PolarHBondContact O-N 3.19Å; M252-C256 PolarHBondContact O-SG 3.41Å; M252-F263 HydrophobicContact CB-CE2 4.25Å; M252-F263 HydrophobicContact CE-CD2 4.12Å; M252-F263 HydrophobicContact CE-CE2 3.41Å; M252-F263 VanDerWaalsContact CE-CE2 3.41Å; M252-F263 HydrophobicContact CE-CZ 3.94Å; M252-F263 HydrophobicContact CG-CD2 4.38Å; M252-F263 HydrophobicContact CG-CE2 4.16Å; M252-L266 HydrophobicContact CG-CD2 3.85Å; M252-L266 HydrophobicContact SD-CD2 4.28Å; M252-R267 HydrophobicContact CE-CB 3.72Å; M252-R267 HydrophobicContact CE-CG 3.97Å; M252-V270 HydrophobicContact SD-CB 4.38Å; M252-V270 HydrophobicContact SD-CG2 4Å
253	N	85.2	Confident	82.7	Confident	4 Å²	4	48.2 Å²	48.2	2%	0.021	25%	0.254	C	S	.	.	H	α-helix	trans	-65.8	-44.2	176.4	-169.6	18	0	0	0	112	L230 Q233 E249 V250 F255 C256 K257 F263	L230-N253 HydrophobicContact CD2-CB 3.81Å; L230-N253 WeakPolarHBondContact CD2-ND2 3.07Å; Q233-N253 PolarHBondContact OE1-OD1 3.37Å; E249-N253 WeakPolarHBondContact O-CB 3.15Å; E249-N253 PolarHBondContact O-N 3.32Å; V250-N253 WeakPolarHBondContact O-CB 3.22Å; V250-N253 PolarHBondContact O-N 3.13Å; V250-N253 VanDerWaalsContact O-N 3.14Å; N253-F255 VanDerWaalsContact C-N 3.3Å; N253-F255 PolarHBondContact O-N 2.82Å; N253-C256 PolarHBondContact O-N 3.32Å; N253-K257 PolarHBondContact ND2-NZ 3.41Å; N253-K257 WeakPolarHBondContact O-CG 3.39Å; N253-K257 PolarHBondContact O-N 2.84Å; N253-K257 WeakPolarHBondContact OD1-CE 3.47Å; N253-F263 HydrophobicContact CB-CD2 3.82Å; N253-F263 HydrophobicContact CB-CE2 3.66Å; N253-F263 HydrophobicContact CB-CG 4.49Å; N253-F263 HydrophobicContact CB-CZ 4.25Å
254	E	85.6	Confident	83.2	Confident	123 Å²	123	48 Å²	48	58%	0.575	25%	0.248	S	C	*	.	H	α-helix	trans	-59.8	-41.3	174.7	-72.4	-179.3	176.1	0	0	111.9	V250 I251 K257 K258	V250-E254 WeakPolarHBondContact O-CG 3.38Å; V250-E254 PolarHBondContact O-N 3.1Å; I251-E254 PolarHBondContact O-N 3.45Å; E254-K257 PolarHBondContact O-N 3.45Å; E254-K258 WeakPolarHBondContact O-CB 3.46Å; E254-K258 PolarHBondContact O-N 2.96Å
255	F	85	Confident	83.8	Confident	100 Å²	100	47.8 Å²	47.8	44%	0.439	25%	0.247	S	C	.	.	H	α-helix	trans	-62	-44.7	174.5	-178.5	-102.7	0	0	0	112.1	I251 M252 N253 K257 K258 H259 M261 L266	I251-F255 WeakPolarHBondContact O-CB 3.25Å; I251-F255 PolarHBondContact O-N 3.42Å; M252-F255 PolarHBondContact O-N 3.11Å; N253-F255 VanDerWaalsContact C-N 3.3Å; N253-F255 PolarHBondContact O-N 2.82Å; F255-K257 PolarHBondContact O-N 3.11Å; F255-K258 PolarHBondContact O-N 2.96Å; F255-H259 AromaticContact CD2-CD2 3.61Å; F255-H259 AromaticContact CD2-NE2 3.92Å; F255-H259 AromaticContact CE2-CD2 3.28Å; F255-H259 WeakPolarHBondContact CE2-CD2 3.34Å; F255-H259 AromaticContact CE2-NE2 3.32Å; F255-H259 VanDerWaalsContact CE2-NE2 3.32Å; F255-H259 WeakPolarHBondContact CE2-NE2 3.29Å; F255-H259 AromaticContact CZ-CD2 3.57Å; F255-H259 AromaticContact CZ-NE2 3.85Å; F255-H259 PolarHBondContact O-CD2 3.34Å; F255-H259 PolarHBondContact O-N 2.82Å; F255-H259 VanDerWaalsContact O-N 3.12Å; F255-M261 HydrophobicContact CD1-CE 3.55Å; F255-M261 HydrophobicContact CE1-CE 3.18Å; F255-M261 HydrophobicContact CZ-CE 4.02Å; F255-L266 HydrophobicContact CD1-CD2 4.41Å
256	C	86.4	Confident	84.2	Confident	2 Å²	2	48.2 Å²	48.2	1%	0.014	25%	0.249	C	C	.	.	H	α-helix	trans	-61	-45.5	176.7	-67.3	0	0	0	0	111.7	M252 N253 K258 H259 G260 M261 F263 L266	M252-C256 PolarHBondContact O-N 3.19Å; M252-C256 PolarHBondContact O-SG 3.41Å; N253-C256 PolarHBondContact O-N 3.32Å; C256-K258 VanDerWaalsContact C-N 3.32Å; C256-K258 PolarHBondContact O-N 2.94Å; C256-H259 CarbonylContact O-C 3.56Å; C256-H259 PolarHBondContact O-N 3.22Å; C256-G260 PolarHBondContact O-N 3.01Å; C256-M261 PolarHBondContact O-N 3.26Å; C256-F263 HydrophobicContact CB-CB 4.06Å; C256-L266 WeakPolarHBondContact SG-CD2 3.48Å
257	K	86.1	Confident	84.7	Confident	93 Å²	93	47.2 Å²	47.2	40%	0.404	24%	0.244	S	C	.	.	H	α-helix	trans	-61.1	-39.9	177.5	-72.7	175.4	-175.6	174.6	0	112.3	N253 E254 F255	N253-K257 PolarHBondContact ND2-NZ 3.41Å; N253-K257 WeakPolarHBondContact O-CG 3.39Å; N253-K257 PolarHBondContact O-N 2.84Å; N253-K257 WeakPolarHBondContact OD1-CE 3.47Å; E254-K257 PolarHBondContact O-N 3.45Å; F255-K257 PolarHBondContact O-N 3.11Å
258	K	87.6	Confident	85.3	Confident	175 Å²	175	45.7 Å²	45.7	76%	0.761	24%	0.235	S	C	*	.	H	α-helix	trans	-68	-35.3	179.1	-171.6	176.5	179.9	-179.6	0	113	E254 F255 C256	E254-K258 WeakPolarHBondContact O-CB 3.46Å; E254-K258 PolarHBondContact O-N 2.96Å; F255-K258 PolarHBondContact O-N 2.96Å; C256-K258 VanDerWaalsContact C-N 3.32Å; C256-K258 PolarHBondContact O-N 2.94Å
259	H	85.2	Confident	85.7	Confident	111 Å²	111	48.2 Å²	48.2	51%	0.514	24%	0.244	S	C	.	.	H	α-helix	trans	-98.6	0.2	-178	-73.8	-74.7	0	0	0	114.2	F255 C256 M261	F255-H259 AromaticContact CD2-CD2 3.61Å; F255-H259 AromaticContact CD2-NE2 3.92Å; F255-H259 AromaticContact CE2-CD2 3.28Å; F255-H259 WeakPolarHBondContact CE2-CD2 3.34Å; F255-H259 AromaticContact CE2-NE2 3.32Å; F255-H259 VanDerWaalsContact CE2-NE2 3.32Å; F255-H259 WeakPolarHBondContact CE2-NE2 3.29Å; F255-H259 AromaticContact CZ-CD2 3.57Å; F255-H259 AromaticContact CZ-NE2 3.85Å; F255-H259 PolarHBondContact O-CD2 3.34Å; F255-H259 PolarHBondContact O-N 2.82Å; F255-H259 VanDerWaalsContact O-N 3.12Å; C256-H259 CarbonylContact O-C 3.56Å; C256-H259 PolarHBondContact O-N 3.22Å; H259-M261 VanDerWaalsContact C-N 3.26Å; H259-M261 HydrophobicContact CB-CE 3.58Å; H259-M261 HydrophobicContact CB-CG 4.1Å; H259-M261 HydrophobicContact CB-SD 4.33Å; H259-M261 PolarHBondContact O-N 3.26Å
260	G	82.3	Confident	86.1	Confident	72 Å²	72	48.1 Å²	48.1	74%	0.742	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.3	25.7	-178.5	0	0	0	0	0	114	C256	C256-G260 PolarHBondContact O-N 3.01Å
261	M	82	Confident	86.7	Confident	47 Å²	47	46.8 Å²	46.8	23%	0.232	24%	0.236	C	C	.	.			trans	-91.5	151.3	179.7	-62.9	-178.6	-67.2	0	0	111.2	F255 C256 H259 F263 I451	F255-M261 HydrophobicContact CD1-CE 3.55Å; F255-M261 HydrophobicContact CE1-CE 3.18Å; F255-M261 HydrophobicContact CZ-CE 4.02Å; C256-M261 PolarHBondContact O-N 3.26Å; H259-M261 VanDerWaalsContact C-N 3.26Å; H259-M261 HydrophobicContact CB-CE 3.58Å; H259-M261 HydrophobicContact CB-CG 4.1Å; H259-M261 HydrophobicContact CB-SD 4.33Å; H259-M261 PolarHBondContact O-N 3.26Å; M261-F263 PolarHBondContact O-N 2.79Å; M261-I451 HydrophobicContact SD-CD1 4.02Å; M261-I451 HydrophobicContact SD-CG2 4.28Å
262	D	84.2	Confident	87.2	Confident	86 Å²	86	46.4 Å²	46.4	46%	0.46	23%	0.234	S	C	.	.			trans	-72	116.3	171.9	177.7	29.2	0	0	0	111.1	L264 T265 L266	D262-L264 VanDerWaalsContact C-N 3.34Å; D262-L264 PolarHBondContact O-N 3.47Å; D262-L264 PolarHBondContact OD1-N 2.96Å; D262-T265 WeakPolarHBondContact OD2-CB 3.45Å; D262-T265 PolarHBondContact OD2-N 3.18Å; D262-T265 PolarHBondContact OD2-OG1 3.14Å; D262-L266 PolarHBondContact O-N 3.01Å
263	F	84.6	Confident	87.6	Confident	5 Å²	5	49.1 Å²	49.1	2%	0.022	24%	0.243	C	C	.	.	H	α-helix	trans	-61	-39.9	179.9	171.9	-106.8	0	0	0	112.6	L230 Q233 M252 N253 C256 M261 L266 R267	L230-F263 HydrophobicContact CD1-CE1 4.38Å; L230-F263 HydrophobicContact CD1-CZ 4.38Å; L230-F263 HydrophobicContact CD2-CZ 4.31Å; Q233-F263 VanDerWaalsContact OE1-CD1 3.31Å; M252-F263 HydrophobicContact CB-CE2 4.25Å; M252-F263 HydrophobicContact CE-CD2 4.12Å; M252-F263 HydrophobicContact CE-CE2 3.41Å; M252-F263 VanDerWaalsContact CE-CE2 3.41Å; M252-F263 HydrophobicContact CE-CZ 3.94Å; M252-F263 HydrophobicContact CG-CD2 4.38Å; M252-F263 HydrophobicContact CG-CE2 4.16Å; N253-F263 HydrophobicContact CB-CD2 3.82Å; N253-F263 HydrophobicContact CB-CE2 3.66Å; N253-F263 HydrophobicContact CB-CG 4.49Å; N253-F263 HydrophobicContact CB-CZ 4.25Å; C256-F263 HydrophobicContact CB-CB 4.06Å; M261-F263 PolarHBondContact O-N 2.79Å; F263-L266 PolarHBondContact O-N 3.35Å; F263-R267 WeakPolarHBondContact O-CB 3.38Å; F263-R267 PolarHBondContact O-N 3.44Å
264	L	84.6	Confident	88.1	Confident	13 Å²	13	48.9 Å²	48.9	7%	0.068	24%	0.242	C	C	.	.	H	α-helix	trans	-68.8	-42.2	-176.4	-71.2	173.7	0	0	0	111.5	D262 R267 L268 I435 L441	D262-L264 VanDerWaalsContact C-N 3.34Å; D262-L264 PolarHBondContact O-N 3.47Å; D262-L264 PolarHBondContact OD1-N 2.96Å; L264-R267 WeakPolarHBondContact O-CB 3.45Å; L264-R267 PolarHBondContact O-N 3.15Å; L264-L268 PolarHBondContact O-N 3.07Å; L264-I435 HydrophobicContact CD1-CD1 4.33Å; L264-L441 HydrophobicContact CB-CD1 4.23Å; L264-L441 HydrophobicContact CB-CD2 4.06Å; L264-L441 HydrophobicContact CD1-CD2 4.28Å
265	T	87	Confident	88.6	Confident	9 Å²	9	43.5 Å²	43.5	6%	0.055	22%	0.218	C	C	.	.	H	α-helix	trans	-69.6	-40.8	177	-51.2	0	0	0	0	111.6	D262 R267 L268 W269 I446	D262-T265 WeakPolarHBondContact OD2-CB 3.45Å; D262-T265 PolarHBondContact OD2-N 3.18Å; D262-T265 PolarHBondContact OD2-OG1 3.14Å; T265-R267 VanDerWaalsContact C-N 3.32Å; T265-R267 PolarHBondContact O-N 3.03Å; T265-L268 WeakPolarHBondContact O-CB 3.45Å; T265-L268 PolarHBondContact O-N 3.35Å; T265-W269 PolarHBondContact O-N 2.91Å; T265-I446 HydrophobicContact CG2-CD1 3.98Å; T265-I446 HydrophobicContact CG2-CG1 3.53Å
266	L	88.3	Confident	89.1	Confident	11 Å²	11	40.9 Å²	40.9	6%	0.058	22%	0.215	C	C	.	.	H	α-helix	trans	-60.7	-43.7	174.3	-167.6	79.9	0	0	0	111.3	M252 F255 C256 D262 F263 L268 W269 V270 I446 I451 C455	M252-L266 HydrophobicContact CG-CD2 3.85Å; M252-L266 HydrophobicContact SD-CD2 4.28Å; F255-L266 HydrophobicContact CD1-CD2 4.41Å; C256-L266 WeakPolarHBondContact SG-CD2 3.48Å; D262-L266 PolarHBondContact O-N 3.01Å; F263-L266 PolarHBondContact O-N 3.35Å; L266-L268 VanDerWaalsContact C-N 3.33Å; L266-L268 PolarHBondContact O-N 3.04Å; L266-W269 PolarHBondContact O-N 3.27Å; L266-V270 WeakPolarHBondContact O-CG2 3.35Å; L266-V270 PolarHBondContact O-N 2.92Å; L266-I446 HydrophobicContact CD1-CD1 4.34Å; L266-I451 HydrophobicContact CD1-CG2 3.77Å; L266-C455 WeakPolarHBondContact CD1-SG 3.18Å
267	R	88.7	Confident	89.5	Confident	1 Å²	1	44.6 Å²	44.6	0%	0.004	23%	0.229	C	C	.	.	H	α-helix	trans	-57.9	-43.7	175.7	179.6	-170.9	-177.2	94.3	15.1	111.9	E249 M252 F263 L264 T265 W269 V270 G271 F511	E249-R267 IonicContact OE1-CZ 3.31Å; E249-R267 VanDerWaalsContact OE1-CZ 3.3Å; E249-R267 IonicContact OE1-NH1 2.87Å; E249-R267 PolarHBondContact OE1-NH1 2.97Å; E249-R267 IonicContact OE1-NH2 3.63Å; E249-R267 PolarHBondContact OE1-NH2 3.48Å; E249-R267 IonicContact OE2-CZ 3.48Å; E249-R267 IonicContact OE2-NH1 2.67Å; E249-R267 PolarHBondContact OE2-NH1 3.42Å; E249-R267 IonicContact OE2-NH2 3.13Å; M252-R267 HydrophobicContact CE-CB 3.72Å; M252-R267 HydrophobicContact CE-CG 3.97Å; F263-R267 WeakPolarHBondContact O-CB 3.38Å; F263-R267 PolarHBondContact O-N 3.44Å; L264-R267 WeakPolarHBondContact O-CB 3.45Å; L264-R267 PolarHBondContact O-N 3.15Å; T265-R267 VanDerWaalsContact C-N 3.32Å; T265-R267 PolarHBondContact O-N 3.03Å; R267-W269 VanDerWaalsContact C-N 3.34Å; R267-W269 PolarHBondContact O-N 3.45Å; R267-V270 PolarHBondContact O-N 3.37Å; R267-G271 PolarHBondContact O-N 3.05Å; R267-F511 HydrophobicContact CG-CE2 4.07Å; R267-F511 HydrophobicContact CG-CZ 3.63Å
268	L	90.4	Very high	89.9	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-57	-49.1	176.9	177.3	153.8	0	0	0	110.5	L264 T265 L266 G271 L272 L441 P443 F506	L264-L268 PolarHBondContact O-N 3.07Å; T265-L268 WeakPolarHBondContact O-CB 3.45Å; T265-L268 PolarHBondContact O-N 3.35Å; L266-L268 VanDerWaalsContact C-N 3.33Å; L266-L268 PolarHBondContact O-N 3.04Å; L268-G271 PolarHBondContact O-N 3.36Å; L268-L272 HydrophobicContact CD2-CD1 3.57Å; L268-L272 HydrophobicContact CD2-CG 4.13Å; L268-L272 HydrophobicContact CG-CD1 4.44Å; L268-L272 WeakPolarHBondContact O-CG 3.07Å; L268-L272 PolarHBondContact O-N 3.49Å; L268-L441 HydrophobicContact CB-CD1 4.46Å; L268-L441 HydrophobicContact CD1-CB 3.68Å; L268-L441 HydrophobicContact CD1-CD1 4.41Å; L268-P443 HydrophobicContact CD2-CB 3.99Å; L268-F506 HydrophobicContact CD1-CD1 4.25Å
269	W	92	Very high	90.3	Very high	64 Å²	64	34.6 Å²	34.6	24%	0.242	19%	0.187	C	C	.	.	H	α-helix	trans	-66.4	-41.7	-179.5	-78.8	103.5	0	0	0	112.9	T265 L266 R267 G271 L272 W273 P443 I446 T452 C455	T265-W269 PolarHBondContact O-N 2.91Å; L266-W269 PolarHBondContact O-N 3.27Å; R267-W269 VanDerWaalsContact C-N 3.34Å; R267-W269 PolarHBondContact O-N 3.45Å; W269-G271 VanDerWaalsContact C-N 3.3Å; W269-G271 PolarHBondContact O-N 3.25Å; W269-L272 PolarHBondContact O-N 3.31Å; W269-W273 PolarHBondContact O-N 2.83Å; W269-P443 HydrophobicContact CZ2-CB 4.18Å; W269-P443 PolarHBondContact NE1-O 3.31Å; W269-P443 VanDerWaalsContact NE1-O 3.11Å; W269-I446 VanDerWaalsContact CD1-CD1 3.4Å; W269-I446 HydrophobicContact CG-CD1 4.26Å; W269-T452 HydrophobicContact CD2-CG2 3.75Å; W269-T452 HydrophobicContact CE3-CG2 4.3Å; W269-T452 HydrophobicContact CG-CG2 4.08Å; W269-T452 HydrophobicContact CH2-CG2 4.42Å; W269-T452 HydrophobicContact CZ2-CG2 3.9Å; W269-C455 HydrophobicContact CB-CB 4.33Å
270	V	92.4	Very high	90.8	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.006	18%	0.183	C	C	.	.	H	α-helix	trans	-59.3	-43.9	173	173.5	0	0	0	0	110.4	F248 M252 L266 R267 W273 T274 C455 P458 A459	F248-V270 HydrophobicContact CE1-CG1 4.07Å; F248-V270 HydrophobicContact CZ-CG1 4.03Å; M252-V270 HydrophobicContact SD-CB 4.38Å; M252-V270 HydrophobicContact SD-CG2 4Å; L266-V270 WeakPolarHBondContact O-CG2 3.35Å; L266-V270 PolarHBondContact O-N 2.92Å; R267-V270 PolarHBondContact O-N 3.37Å; V270-W273 PolarHBondContact O-N 3.25Å; V270-T274 HydrophobicContact CG1-CG2 4.23Å; V270-T274 WeakPolarHBondContact O-CG2 3.31Å; V270-T274 PolarHBondContact O-N 3.11Å; V270-T274 PolarHBondContact O-OG1 3.16Å; V270-C455 HydrophobicContact CG2-CB 3.93Å; V270-P458 HydrophobicContact CG2-CG 4.21Å; V270-A459 HydrophobicContact CG1-CB 4.35Å
271	G	93.2	Very high	91.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-66.4	-35.5	178	0	0	0	0	0	114.7	R267 L268 W269 T274 S275 I501 S505	R267-G271 PolarHBondContact O-N 3.05Å; L268-G271 PolarHBondContact O-N 3.36Å; W269-G271 VanDerWaalsContact C-N 3.3Å; W269-G271 PolarHBondContact O-N 3.25Å; G271-T274 VanDerWaalsContact CA-OG1 3.32Å; G271-T274 WeakPolarHBondContact CA-OG1 3.47Å; G271-T274 PolarHBondContact O-OG1 3.15Å; G271-S275 WeakPolarHBondContact O-CB 3.17Å; G271-S275 PolarHBondContact O-N 3.47Å; G271-I501 WeakPolarHBondContact O-CG2 3.36Å; G271-S505 VanDerWaalsContact CA-OG 3.24Å; G271-S505 WeakPolarHBondContact CA-OG 3.5Å
272	L	93.9	Very high	91.8	Very high	42 Å²	42	29 Å²	29	22%	0.22	14%	0.144	C	C	.	.	H	α-helix	trans	-68.9	-42.6	173.4	-69.5	-177	0	0	0	111.6	L268 W269 S275 A276 F506	L268-L272 HydrophobicContact CD2-CD1 3.57Å; L268-L272 HydrophobicContact CD2-CG 4.13Å; L268-L272 HydrophobicContact CG-CD1 4.44Å; L268-L272 WeakPolarHBondContact O-CG 3.07Å; L268-L272 PolarHBondContact O-N 3.49Å; W269-L272 PolarHBondContact O-N 3.31Å; L272-S275 PolarHBondContact O-N 3.03Å; L272-A276 WeakPolarHBondContact O-CB 3.37Å; L272-A276 PolarHBondContact O-N 3.48Å; L272-F506 HydrophobicContact CD1-CZ 4.31Å; L272-F506 HydrophobicContact CD2-CD2 4.39Å; L272-F506 HydrophobicContact CD2-CE2 3.74Å; L272-F506 HydrophobicContact CD2-CZ 3.94Å
273	W	95.7	Very high	92.2	Very high	72 Å²	72	25.3 Å²	25.3	27%	0.273	13%	0.126	S	C	.	.	H	α-helix	trans	-66.1	-36.6	175.3	-78.4	118.7	0	0	0	112.5	W269 V270 A276 W277 T452 L453 I456 A459	W269-W273 PolarHBondContact O-N 2.83Å; V270-W273 PolarHBondContact O-N 3.25Å; W273-A276 HydrophobicContact CE3-CB 4.5Å; W273-A276 PolarHBondContact O-N 2.94Å; W273-W277 WeakPolarHBondContact O-CB 3.15Å; W273-W277 VanDerWaalsContact O-CD1 3.22Å; W273-W277 PolarHBondContact O-N 3.13Å; W273-T452 PolarHBondContact NE1-O 2.75Å; W273-L453 HydrophobicContact CZ2-CD2 4.21Å; W273-I456 HydrophobicContact CD2-CD1 4.34Å; W273-I456 HydrophobicContact CD2-CG1 3.51Å; W273-I456 VanDerWaalsContact CE2-CG1 3.42Å; W273-I456 HydrophobicContact CE3-CD1 4.37Å; W273-I456 HydrophobicContact CE3-CG1 3.81Å; W273-I456 HydrophobicContact CG-CG1 4.01Å; W273-I456 HydrophobicContact CH2-CD1 3.71Å; W273-I456 HydrophobicContact CH2-CG1 3.97Å; W273-I456 HydrophobicContact CZ2-CD1 3.66Å; W273-I456 HydrophobicContact CZ2-CG1 3.68Å; W273-I456 HydrophobicContact CZ3-CD1 4.06Å; W273-I456 HydrophobicContact CZ3-CG1 4.03Å; W273-A459 HydrophobicContact CB-CB 3.36Å; W273-A459 HydrophobicContact CG-CB 4.46Å
274	T	94.6	Very high	92.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-66.1	-43.9	175.7	59.3	0	0	0	0	110.7	V270 G271 A276 W277 L278 A459 F462 I501	V270-T274 HydrophobicContact CG1-CG2 4.23Å; V270-T274 WeakPolarHBondContact O-CG2 3.31Å; V270-T274 PolarHBondContact O-N 3.11Å; V270-T274 PolarHBondContact O-OG1 3.16Å; G271-T274 VanDerWaalsContact CA-OG1 3.32Å; G271-T274 WeakPolarHBondContact CA-OG1 3.47Å; G271-T274 PolarHBondContact O-OG1 3.15Å; T274-A276 VanDerWaalsContact C-N 3.34Å; T274-A276 PolarHBondContact O-N 3.06Å; T274-W277 PolarHBondContact O-N 3.23Å; T274-L278 VanDerWaalsContact O-CG 3.27Å; T274-L278 WeakPolarHBondContact O-CG 3.36Å; T274-L278 PolarHBondContact O-N 3.43Å; T274-A459 HydrophobicContact CG2-CB 3.71Å; T274-A459 WeakPolarHBondContact CG2-O 3.4Å; T274-F462 HydrophobicContact CG2-CB 3.95Å; T274-F462 HydrophobicContact CG2-CD1 3.61Å; T274-F462 HydrophobicContact CG2-CG 4.26Å; T274-I501 WeakPolarHBondContact OG1-CG2 3.45Å
275	S	95.6	Very high	92.7	Very high	9 Å²	9	28.2 Å²	28.2	6%	0.063	14%	0.141	C	C	.	.	H	α-helix	trans	-57.2	-46.1	172.8	-176.8	0	0	0	0	111.9	G271 L272 W277 L278 I279 A498	G271-S275 WeakPolarHBondContact O-CB 3.17Å; G271-S275 PolarHBondContact O-N 3.47Å; L272-S275 PolarHBondContact O-N 3.03Å; S275-W277 PolarHBondContact O-N 2.58Å; S275-L278 PolarHBondContact O-N 3.43Å; S275-I279 WeakPolarHBondContact O-CG1 3.21Å; S275-I279 PolarHBondContact O-N 2.99Å; S275-A498 WeakPolarHBondContact CB-O 3.43Å; S275-A498 PolarHBondContact OG-O 3.49Å
276	A	96.1	Very high	92.7	Very high	45 Å²	45	28.4 Å²	28.4	37%	0.372	14%	0.143	S	C	.	.	H	α-helix	trans	-61.4	-43.7	177	0	0	0	0	0	112.5	L272 W273 T274 I279 L280	L272-A276 WeakPolarHBondContact O-CB 3.37Å; L272-A276 PolarHBondContact O-N 3.48Å; W273-A276 HydrophobicContact CE3-CB 4.5Å; W273-A276 PolarHBondContact O-N 2.94Å; T274-A276 VanDerWaalsContact C-N 3.34Å; T274-A276 PolarHBondContact O-N 3.06Å; A276-I279 PolarHBondContact O-N 3.47Å; A276-L280 WeakPolarHBondContact O-CB 3.36Å; A276-L280 PolarHBondContact O-N 3.24Å
277	W	94.8	Very high	92.6	Very high	81 Å²	81	27.9 Å²	27.9	31%	0.307	14%	0.14	S	C	.	.	H	α-helix	trans	-61.7	-43.5	174.9	-88.7	115.8	0	0	0	112.4	W273 T274 S275 L280 L281 I456 T460	W273-W277 WeakPolarHBondContact O-CB 3.15Å; W273-W277 VanDerWaalsContact O-CD1 3.22Å; W273-W277 PolarHBondContact O-N 3.13Å; T274-W277 PolarHBondContact O-N 3.23Å; S275-W277 PolarHBondContact O-N 2.58Å; W277-L280 HydrophobicContact CE3-CD2 3.85Å; W277-L280 HydrophobicContact CZ3-CD2 3.69Å; W277-L280 WeakPolarHBondContact O-CB 3.3Å; W277-L280 PolarHBondContact O-N 3.07Å; W277-L281 VanDerWaalsContact O-CG 3.27Å; W277-L281 WeakPolarHBondContact O-CG 3.3Å; W277-L281 PolarHBondContact O-N 3.41Å; W277-I456 HydrophobicContact CZ2-CG2 4.42Å; W277-T460 PolarHBondContact NE1-OG1 3.27Å
278	L	95.6	Very high	92.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-64	-42.5	177.3	-68	-179.9	0	0	0	111.7	T274 S275 L280 L281 V282 I466 L494 I497 A498 I501	T274-L278 VanDerWaalsContact O-CG 3.27Å; T274-L278 WeakPolarHBondContact O-CG 3.36Å; T274-L278 PolarHBondContact O-N 3.43Å; S275-L278 PolarHBondContact O-N 3.43Å; L278-L280 VanDerWaalsContact C-N 3.32Å; L278-L280 PolarHBondContact O-N 3.23Å; L278-L281 HydrophobicContact CD2-CD1 4.33Å; L278-L281 PolarHBondContact O-N 3.46Å; L278-V282 WeakPolarHBondContact O-CG2 3.4Å; L278-V282 PolarHBondContact O-N 3.32Å; L278-I466 HydrophobicContact CD1-CG2 3.98Å; L278-I466 HydrophobicContact CD2-CG2 4.48Å; L278-L494 HydrophobicContact CD2-CD1 3.83Å; L278-L494 HydrophobicContact CD2-CG 4.34Å; L278-I497 HydrophobicContact CD1-CG2 4.32Å; L278-A498 HydrophobicContact CB-CB 3.72Å; L278-A498 HydrophobicContact CD1-CB 4.27Å; L278-I501 HydrophobicContact CD1-CD1 3.65Å
279	I	95.9	Very high	92	Very high	58 Å²	58	33.9 Å²	33.9	30%	0.297	17%	0.168	S	C	.	.	H	α-helix	trans	-61.8	-41.5	174.8	-69	167	0	0	0	110.8	F175 S275 A276 V282 A283 M495 A498	F175-I279 HydrophobicContact CE1-CG2 4.16Å; F175-I279 HydrophobicContact CZ-CG2 4.02Å; S275-I279 WeakPolarHBondContact O-CG1 3.21Å; S275-I279 PolarHBondContact O-N 2.99Å; A276-I279 PolarHBondContact O-N 3.47Å; I279-V282 PolarHBondContact O-N 2.78Å; I279-A283 WeakPolarHBondContact O-CB 3.3Å; I279-A283 PolarHBondContact O-N 3.31Å; I279-M495 HydrophobicContact CG1-CE 4.4Å; I279-M495 HydrophobicContact CG1-SD 4.18Å; I279-M495 HydrophobicContact CG2-CE 4.41Å; I279-A498 HydrophobicContact CG1-CB 3.89Å
280	L	94.7	Very high	91.6	Very high	80 Å²	80	31.1 Å²	31.1	42%	0.419	16%	0.157	S	C	.	.	H	α-helix	trans	-62.4	-43.5	176.2	-176.7	68.4	0	0	0	111.6	A276 W277 L278 V282 A283 I284	A276-L280 WeakPolarHBondContact O-CB 3.36Å; A276-L280 PolarHBondContact O-N 3.24Å; W277-L280 HydrophobicContact CE3-CD2 3.85Å; W277-L280 HydrophobicContact CZ3-CD2 3.69Å; W277-L280 WeakPolarHBondContact O-CB 3.3Å; W277-L280 PolarHBondContact O-N 3.07Å; L278-L280 VanDerWaalsContact C-N 3.32Å; L278-L280 PolarHBondContact O-N 3.23Å; L280-V282 VanDerWaalsContact C-N 3.34Å; L280-V282 PolarHBondContact O-N 2.92Å; L280-A283 WeakPolarHBondContact O-CB 2.99Å; L280-A283 PolarHBondContact O-N 3.1Å; L280-A283 VanDerWaalsContact O-N 3.17Å; L280-I284 HydrophobicContact CD1-CD1 3.91Å; L280-I284 HydrophobicContact CD1-CG1 4.47Å; L280-I284 HydrophobicContact CG-CD1 3.87Å; L280-I284 WeakPolarHBondContact O-CG1 3.33Å; L280-I284 PolarHBondContact O-N 3.3Å
281	L	92.8	Very high	91	Very high	32 Å²	32	32.3 Å²	32.3	17%	0.168	17%	0.167	C	C	.	.	H	α-helix	trans	-62.6	-40.7	176	-71.6	168.9	0	0	0	111.6	W277 L278 I284 D285 A286 L467 L494	W277-L281 VanDerWaalsContact O-CG 3.27Å; W277-L281 WeakPolarHBondContact O-CG 3.3Å; W277-L281 PolarHBondContact O-N 3.41Å; L278-L281 HydrophobicContact CD2-CD1 4.33Å; L278-L281 PolarHBondContact O-N 3.46Å; L281-I284 PolarHBondContact O-N 3.1Å; L281-D285 PolarHBondContact O-N 3.07Å; L281-A286 HydrophobicContact CB-CB 3.98Å; L281-A286 HydrophobicContact CD2-CB 3.65Å; L281-A286 HydrophobicContact CG-CB 4.44Å; L281-A286 VanDerWaalsContact O-CB 3.26Å; L281-A286 WeakPolarHBondContact O-CB 3.35Å; L281-A286 PolarHBondContact O-N 3Å; L281-L467 HydrophobicContact CD1-CD1 4.34Å; L281-L467 HydrophobicContact CD1-CD2 4.09Å; L281-L494 HydrophobicContact CB-CD2 4.47Å
282	V	93.2	Very high	90.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.5	-43.2	171.8	172.7	0	0	0	0	111.1	F175 L178 L278 I279 L280 I284 D285 H491 L494 M495	F175-V282 HydrophobicContact CD1-CG1 4.21Å; F175-V282 HydrophobicContact CE1-CG1 4.45Å; L178-V282 HydrophobicContact CB-CG1 3.93Å; L178-V282 HydrophobicContact CD1-CG1 4.47Å; L178-V282 HydrophobicContact CD2-CG1 4.15Å; L178-V282 HydrophobicContact CG-CG1 4.42Å; L278-V282 WeakPolarHBondContact O-CG2 3.4Å; L278-V282 PolarHBondContact O-N 3.32Å; I279-V282 PolarHBondContact O-N 2.78Å; L280-V282 VanDerWaalsContact C-N 3.34Å; L280-V282 PolarHBondContact O-N 2.92Å; V282-I284 VanDerWaalsContact C-N 3.3Å; V282-I284 PolarHBondContact O-N 3.33Å; V282-D285 PolarHBondContact O-N 2.96Å; V282-H491 HydrophobicContact CG1-CB 4.2Å; V282-L494 HydrophobicContact CG2-CB 3.82Å; V282-L494 HydrophobicContact CG2-CD2 3.68Å; V282-L494 HydrophobicContact CG2-CG 3.86Å; V282-M495 HydrophobicContact CB-CE 4.37Å; V282-M495 HydrophobicContact CG1-CE 3.93Å; V282-M495 HydrophobicContact CG2-CB 4.42Å
283	A	92.3	Very high	90.1	Very high	8 Å²	8	32.7 Å²	32.7	7%	0.066	17%	0.168	C	C	.	.	H	α-helix	trans	-64.1	-33.7	-178.1	0	0	0	0	0	112.9	L174 F175 I279 L280 D285	L174-A283 WeakPolarHBondContact CA-O 3.46Å; L174-A283 HydrophobicContact CD2-CB 4.44Å; F175-A283 HydrophobicContact CD1-CB 4.26Å; F175-A283 HydrophobicContact CD2-CB 4.21Å; F175-A283 HydrophobicContact CE1-CB 3.88Å; F175-A283 HydrophobicContact CE2-CB 3.84Å; F175-A283 HydrophobicContact CG-CB 4.41Å; F175-A283 HydrophobicContact CZ-CB 3.66Å; F175-A283 PolarHBondContact N-O 3.49Å; F175-A283 VanDerWaalsContact N-O 3.12Å; I279-A283 WeakPolarHBondContact O-CB 3.3Å; I279-A283 PolarHBondContact O-N 3.31Å; L280-A283 WeakPolarHBondContact O-CB 2.99Å; L280-A283 PolarHBondContact O-N 3.1Å; L280-A283 VanDerWaalsContact O-N 3.17Å; A283-D285 VanDerWaalsContact C-N 3.32Å
284	I	90.7	Very high	89.7	Confident	76 Å²	76	29.4 Å²	29.4	39%	0.39	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-3.6	-177.5	-63.2	169.7	0	0	0	112.5	R170 L280 L281 V282	R170-I284 PolarHBondContact NE-O 3.06Å; R170-I284 PolarHBondContact NH2-O 3Å; L280-I284 HydrophobicContact CD1-CD1 3.91Å; L280-I284 HydrophobicContact CD1-CG1 4.47Å; L280-I284 HydrophobicContact CG-CD1 3.87Å; L280-I284 WeakPolarHBondContact O-CG1 3.33Å; L280-I284 PolarHBondContact O-N 3.3Å; L281-I284 PolarHBondContact O-N 3.1Å; V282-I284 VanDerWaalsContact C-N 3.3Å; V282-I284 PolarHBondContact O-N 3.33Å
285	D	88.7	Confident	89.3	Confident	4 Å²	4	30.7 Å²	30.7	2%	0.021	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	41	-168.8	-59.7	-20.2	0	0	0	112.4	R170 T171 G177 L281 V282 A283 S287 V288	R170-D285 HydrophobicContact CG-CB 4.06Å; T171-D285 WeakPolarHBondContact CB-OD2 2.97Å; T171-D285 PolarHBondContact N-OD2 3.22Å; T171-D285 PolarHBondContact OG1-OD2 3.2Å; G177-D285 WeakPolarHBondContact CA-OD1 3.37Å; G177-D285 PolarHBondContact N-OD1 3.28Å; L281-D285 PolarHBondContact O-N 3.07Å; V282-D285 PolarHBondContact O-N 2.96Å; A283-D285 VanDerWaalsContact C-N 3.32Å; D285-S287 PolarHBondContact O-N 3.4Å; D285-V288 HydrophobicContact CB-CG2 4.18Å; D285-V288 WeakPolarHBondContact O-CB 3.38Å; D285-V288 VanDerWaalsContact O-CG2 3.31Å; D285-V288 WeakPolarHBondContact O-CG2 3.49Å; D285-V288 PolarHBondContact O-N 3.07Å
286	A	86.8	Confident	89	Confident	12 Å²	12	30.3 Å²	30.3	10%	0.099	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-66.4	-24.6	-177.1	0	0	0	0	0	113.2	L281 V288 F289	L281-A286 HydrophobicContact CB-CB 3.98Å; L281-A286 HydrophobicContact CD2-CB 3.65Å; L281-A286 HydrophobicContact CG-CB 4.44Å; L281-A286 VanDerWaalsContact O-CB 3.26Å; L281-A286 WeakPolarHBondContact O-CB 3.35Å; L281-A286 PolarHBondContact O-N 3Å; A286-V288 PolarHBondContact O-N 2.89Å; A286-F289 WeakPolarHBondContact O-CB 3.47Å; A286-F289 VanDerWaalsContact O-CD2 3.22Å; A286-F289 WeakPolarHBondContact O-CD2 3.13Å; A286-F289 PolarHBondContact O-N 2.95Å
287	S	85.7	Confident	88.6	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-66.2	-5.3	176.7	-51.3	0	0	0	0	113.2	D285 F289 V290	D285-S287 PolarHBondContact O-N 3.4Å; S287-F289 PolarHBondContact O-N 3.29Å; S287-V290 WeakPolarHBondContact O-CB 3.29Å; S287-V290 WeakPolarHBondContact O-CG2 3.22Å; S287-V290 PolarHBondContact O-N 3.22Å
288	V	83.7	Confident	88.3	Confident	9 Å²	9	24.8 Å²	24.8	6%	0.055	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-62.9	-29	167.9	174.5	0	0	0	0	111.9	R170 D285 A286 V290 A291 L693	R170-V288 HydrophobicContact CB-CG2 4.49Å; D285-V288 HydrophobicContact CB-CG2 4.18Å; D285-V288 WeakPolarHBondContact O-CB 3.38Å; D285-V288 VanDerWaalsContact O-CG2 3.31Å; D285-V288 WeakPolarHBondContact O-CG2 3.49Å; D285-V288 PolarHBondContact O-N 3.07Å; A286-V288 PolarHBondContact O-N 2.89Å; V288-V290 PolarHBondContact O-N 3.43Å; V288-V290 VanDerWaalsContact O-N 3.15Å; V288-A291 WeakPolarHBondContact O-CB 3.35Å; V288-A291 PolarHBondContact O-N 2.67Å; V288-A291 VanDerWaalsContact O-N 3.11Å; V288-L693 HydrophobicContact CG1-CB 3.91Å; V288-L693 HydrophobicContact CG1-CD2 4.01Å; V288-L693 HydrophobicContact CG1-CG 4.38Å
289	F	82.9	Confident	88	Confident	119 Å²	119	24.8 Å²	24.8	52%	0.522	13%	0.129	S	C	.	.	G	3₁₀ helix	trans	-66	-14.8	177.6	-69	-58.1	0	0	0	113.9	A286 S287 A291 F292	A286-F289 WeakPolarHBondContact O-CB 3.47Å; A286-F289 VanDerWaalsContact O-CD2 3.22Å; A286-F289 WeakPolarHBondContact O-CD2 3.13Å; A286-F289 PolarHBondContact O-N 2.95Å; S287-F289 PolarHBondContact O-N 3.29Å; F289-A291 PolarHBondContact O-N 3.39Å; F289-A291 VanDerWaalsContact O-N 3.16Å; F289-F292 HydrophobicContact CB-CD2 4.44Å; F289-F292 AromaticContact CD1-CD2 3.85Å; F289-F292 HydrophobicContact CD1-CD2 3.85Å; F289-F292 AromaticContact CD1-CE2 3.63Å; F289-F292 HydrophobicContact CD1-CE2 3.63Å; F289-F292 HydrophobicContact CE1-CE2 4.12Å; F289-F292 WeakPolarHBondContact O-CB 3.44Å; F289-F292 PolarHBondContact O-N 3.07Å
290	V	83.3	Confident	87.7	Confident	5 Å²	5	22 Å²	22	3%	0.03	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-57	-27.1	171.7	179.4	0	0	0	0	111.5	L168 S287 V288 F292 I293 N471 V475 Y490	L168-V290 HydrophobicContact CD1-CB 4.4Å; S287-V290 WeakPolarHBondContact O-CB 3.29Å; S287-V290 WeakPolarHBondContact O-CG2 3.22Å; S287-V290 PolarHBondContact O-N 3.22Å; V288-V290 PolarHBondContact O-N 3.43Å; V288-V290 VanDerWaalsContact O-N 3.15Å; V290-F292 PolarHBondContact O-N 3.11Å; V290-F292 VanDerWaalsContact O-N 3.08Å; V290-I293 HydrophobicContact CG1-CD1 4.41Å; V290-I293 WeakPolarHBondContact O-CB 3.39Å; V290-I293 PolarHBondContact O-N 3.27Å; V290-N471 HydrophobicContact CG1-CB 4.37Å; V290-N471 HydrophobicContact CG2-CB 3.5Å; V290-N471 VanDerWaalsContact CG2-ND2 3.34Å; V290-N471 WeakPolarHBondContact CG2-ND2 3.3Å; V290-V475 HydrophobicContact CG1-CG2 3.02Å; V290-Y490 HydrophobicContact CG1-CD1 4.36Å; V290-Y490 HydrophobicContact CG1-CE1 4.03Å
291	A	81.3	Confident	87.4	Confident	26 Å²	26	18.2 Å²	18.2	22%	0.215	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-64.6	-9.6	174.2	0	0	0	0	0	114.6	V288 F289 P688 L693	V288-A291 WeakPolarHBondContact O-CB 3.35Å; V288-A291 PolarHBondContact O-N 2.67Å; V288-A291 VanDerWaalsContact O-N 3.11Å; F289-A291 PolarHBondContact O-N 3.39Å; F289-A291 VanDerWaalsContact O-N 3.16Å; A291-P688 HydrophobicContact CB-CG 4.06Å; A291-P688 WeakPolarHBondContact O-CD 3.29Å; A291-L693 HydrophobicContact CB-CD1 4.11Å; A291-L693 HydrophobicContact CB-CD2 3.83Å
292	F	83.3	Confident	87.2	Confident	31 Å²	31	16.8 Å²	16.8	14%	0.136	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-88.4	-19.4	171.1	-69.1	-52.5	0	0	0	113.7	F289 V290 V664 R667 L687 P688 W690 L693	F289-F292 HydrophobicContact CB-CD2 4.44Å; F289-F292 AromaticContact CD1-CD2 3.85Å; F289-F292 HydrophobicContact CD1-CD2 3.85Å; F289-F292 AromaticContact CD1-CE2 3.63Å; F289-F292 HydrophobicContact CD1-CE2 3.63Å; F289-F292 HydrophobicContact CE1-CE2 4.12Å; F289-F292 WeakPolarHBondContact O-CB 3.44Å; F289-F292 PolarHBondContact O-N 3.07Å; V290-F292 PolarHBondContact O-N 3.11Å; V290-F292 VanDerWaalsContact O-N 3.08Å; F292-V664 HydrophobicContact CB-CG1 3.9Å; F292-R667 PolarHBondContact O-NH1 3.45Å; F292-L687 HydrophobicContact CD1-CD2 4.08Å; F292-P688 WeakPolarHBondContact CE1-O 3.37Å; F292-W690 HydrophobicContact CZ-CB 3.81Å; F292-L693 HydrophobicContact CD1-CD1 4.32Å; F292-L693 HydrophobicContact CD2-CD1 4.26Å; F292-L693 HydrophobicContact CE1-CD1 3.83Å; F292-L693 HydrophobicContact CE2-CD1 3.77Å; F292-L693 HydrophobicContact CZ-CD1 3.53Å
293	I	85.2	Confident	87.1	Confident	19 Å²	19	17 Å²	17	10%	0.097	9%	0.089	C	C	.	.			trans	-74.9	125.7	172.3	-60.8	166	0	0	0	106.1	V290 E298 I472 V664	V290-I293 HydrophobicContact CG1-CD1 4.41Å; V290-I293 WeakPolarHBondContact O-CB 3.39Å; V290-I293 PolarHBondContact O-N 3.27Å; I293-E298 HydrophobicContact CG2-CG 3.59Å; I293-I472 HydrophobicContact CD1-CG1 3.79Å; I293-I472 HydrophobicContact CG2-CG1 4.38Å; I293-V664 HydrophobicContact CG1-CG2 4.41Å
294	T	86	Confident	87.1	Confident	3 Å²	3	16.8 Å²	16.8	2%	0.018	9%	0.086	C	C	.	.			trans	-128.9	174.2	177.5	61.3	0	0	0	0	111.9	F296 T297 E298 R667 D684 D685	T294-F296 PolarHBondContact O-N 3.18Å; T294-T297 PolarHBondContact N-OG1 3.2Å; T294-T297 VanDerWaalsContact N-OG1 3.14Å; T294-T297 PolarHBondContact O-N 3.24Å; T294-T297 PolarHBondContact O-OG1 3.39Å; T294-E298 WeakPolarHBondContact CA-OE1 3.47Å; T294-E298 WeakPolarHBondContact O-CG 3.19Å; T294-E298 PolarHBondContact O-N 3.16Å; T294-R667 VanDerWaalsContact CG2-NH2 3.3Å; T294-R667 PolarHBondContact OG1-NE 3.5Å; T294-R667 VanDerWaalsContact OG1-NE 3.07Å; T294-R667 PolarHBondContact OG1-NH1 3.21Å; T294-R667 PolarHBondContact OG1-NH2 3.21Å; T294-D684 WeakPolarHBondContact CB-OD1 3.37Å; T294-D684 PolarHBondContact OG1-OD1 3.34Å; T294-D684 PolarHBondContact OG1-OD2 3.41Å; T294-D684 VanDerWaalsContact OG1-OD2 3.07Å; T294-D685 HydrophobicContact CG2-CB 3.97Å
295	R	85.8	Confident	86.8	Confident	27 Å²	27	14.8 Å²	14.8	10%	0.102	8%	0.076	C	C	.	.	H	α-helix	trans	-41	-42.8	176.4	-165.6	-176.7	-172.2	122.8	42.8	113.8	T297 E298 E299 E481 Q600 D684 D685	R295-T297 PolarHBondContact O-N 2.84Å; R295-E298 PolarHBondContact N-OE1 3.49Å; R295-E298 PolarHBondContact O-N 2.93Å; R295-E299 VanDerWaalsContact CG-CD 3.49Å; R295-E299 HydrophobicContact CG-CG 3.89Å; R295-E299 WeakPolarHBondContact CG-OE1 3.5Å; R295-E299 IonicContact CZ-OE1 3.66Å; R295-E299 IonicContact NE-OE1 2.68Å; R295-E299 PolarHBondContact NE-OE1 2.79Å; R295-E299 IonicContact NE-OE2 3.61Å; R295-E299 IonicContact NH2-OE1 3.68Å; R295-E299 PolarHBondContact NH2-OE1 3.02Å; R295-E299 VanDerWaalsContact NH2-OE1 3.08Å; R295-E299 VanDerWaalsContact O-CB 3.3Å; R295-E299 WeakPolarHBondContact O-CB 3.37Å; R295-E299 VanDerWaalsContact O-CG 3.23Å; R295-E299 WeakPolarHBondContact O-CG 3.48Å; R295-E299 PolarHBondContact O-N 2.8Å; R295-E481 IonicContact CZ-OE1 3.21Å; R295-E481 IonicContact CZ-OE2 3.93Å; R295-E481 IonicContact NH1-OE1 2.73Å; R295-E481 PolarHBondContact NH1-OE1 3.15Å; R295-E481 IonicContact NH2-OE1 3.04Å; R295-E481 PolarHBondContact NH2-OE1 2.89Å; R295-E481 IonicContact NH2-OE2 3.01Å; R295-E481 PolarHBondContact NH2-OE2 2.83Å; R295-Q600 VanDerWaalsContact CZ-NE2 3.26Å; R295-Q600 VanDerWaalsContact NH2-CG 3.33Å; R295-D684 VanDerWaalsContact CB-OD1 3.31Å; R295-D684 WeakPolarHBondContact CB-OD1 3.28Å; R295-D684 PolarHBondContact N-OD1 3Å; R295-D685 PolarHBondContact N-OD2 3.29Å
296	F	89.6	Confident	86.6	Confident	1 Å²	1	14.7 Å²	14.7	0%	0.004	8%	0.075	C	C	.	.	H	α-helix	trans	-53.1	-53	175.4	178.2	-91.2	0	0	0	113.1	T294 A300 F632 V635 Q636 C639 R667 L671 D684	T294-F296 PolarHBondContact O-N 3.18Å; F296-A300 PolarHBondContact O-N 2.87Å; F296-F632 HydrophobicContact CB-CZ 4.31Å; F296-F632 HydrophobicContact CD2-CE1 4.23Å; F296-F632 HydrophobicContact CD2-CE2 4Å; F296-F632 AromaticContact CD2-CZ 3.68Å; F296-F632 HydrophobicContact CD2-CZ 3.68Å; F296-F632 HydrophobicContact CG-CZ 4.49Å; F296-V635 HydrophobicContact CE2-CG1 4.4Å; F296-V635 HydrophobicContact CZ-CG1 4.25Å; F296-Q636 HydrophobicContact CD2-CB 3.98Å; F296-Q636 HydrophobicContact CD2-CG 3.78Å; F296-Q636 VanDerWaalsContact CE2-CA 3.44Å; F296-Q636 HydrophobicContact CE2-CB 3.38Å; F296-Q636 HydrophobicContact CE2-CG 3.54Å; F296-Q636 HydrophobicContact CG-CG 4.48Å; F296-Q636 HydrophobicContact CZ-CB 4.02Å; F296-Q636 HydrophobicContact CZ-CG 4.03Å; F296-Q636 PolarHBondContact O-NE2 3.05Å; F296-C639 HydrophobicContact CE1-CB 4.24Å; F296-C639 HydrophobicContact CZ-CB 4.01Å; F296-R667 HydrophobicContact CB-CG 4.13Å; F296-R667 HydrophobicContact CD1-CB 3.84Å; F296-R667 HydrophobicContact CD1-CG 4.15Å; F296-R667 HydrophobicContact CE1-CB 4.24Å; F296-R667 HydrophobicContact CG-CB 4.36Å; F296-R667 HydrophobicContact CG-CG 4.2Å; F296-L671 HydrophobicContact CD2-CD1 3.73Å; F296-L671 HydrophobicContact CE2-CD1 3.84Å; F296-L671 HydrophobicContact CG-CD1 4.15Å; F296-L671 HydrophobicContact CZ-CD1 4.39Å; F296-D684 PolarHBondContact N-OD1 3.39Å
297	T	88.5	Confident	86.8	Confident	8 Å²	8	17.1 Å²	17.1	5%	0.049	9%	0.086	C	C	.	.	H	α-helix	trans	-75.7	-38.4	-178.3	46.8	0	0	0	0	112.5	T294 R295 A300 F301 V664	T294-T297 PolarHBondContact N-OG1 3.2Å; T294-T297 VanDerWaalsContact N-OG1 3.14Å; T294-T297 PolarHBondContact O-N 3.24Å; T294-T297 PolarHBondContact O-OG1 3.39Å; R295-T297 PolarHBondContact O-N 2.84Å; T297-A300 PolarHBondContact O-N 2.92Å; T297-F301 WeakPolarHBondContact O-CB 3.29Å; T297-F301 PolarHBondContact O-N 3.21Å; T297-V664 HydrophobicContact CG2-CG2 3.85Å
298	E	87.7	Confident	86.7	Confident	3 Å²	3	19 Å²	19	1%	0.014	10%	0.096	C	C	.	.	H	α-helix	trans	-65.4	-46.4	-179.6	-69.1	163.6	-145.3	0	0	112.4	I293 T294 R295 A300 F301 A302 V475 I476 R479	I293-E298 HydrophobicContact CG2-CG 3.59Å; T294-E298 WeakPolarHBondContact CA-OE1 3.47Å; T294-E298 WeakPolarHBondContact O-CG 3.19Å; T294-E298 PolarHBondContact O-N 3.16Å; R295-E298 PolarHBondContact N-OE1 3.49Å; R295-E298 PolarHBondContact O-N 2.93Å; E298-A300 VanDerWaalsContact C-N 3.32Å; E298-A300 PolarHBondContact O-N 2.83Å; E298-F301 PolarHBondContact O-N 3.45Å; E298-A302 VanDerWaalsContact O-CB 3.31Å; E298-A302 WeakPolarHBondContact O-CB 3.47Å; E298-A302 PolarHBondContact O-N 3.18Å; E298-V475 HydrophobicContact CG-CG1 4.13Å; E298-V475 WeakPolarHBondContact OE1-CG1 3.32Å; E298-I476 HydrophobicContact CB-CG1 3.93Å; E298-I476 HydrophobicContact CG-CG1 4.23Å; E298-R479 VanDerWaalsContact CB-NH2 3.28Å; E298-R479 IonicContact OE2-CZ 3.41Å; E298-R479 IonicContact OE2-NE 2.77Å; E298-R479 PolarHBondContact OE2-NE 2.89Å; E298-R479 IonicContact OE2-NH2 2.68Å; E298-R479 PolarHBondContact OE2-NH2 3.29Å
299	E	89.8	Confident	86.5	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-67	-37	-179.4	-68	-175.5	158.7	0	0	111	R295 T303 R479 Q600 F601 R604	R295-E299 VanDerWaalsContact CG-CD 3.49Å; R295-E299 HydrophobicContact CG-CG 3.89Å; R295-E299 WeakPolarHBondContact CG-OE1 3.5Å; R295-E299 IonicContact CZ-OE1 3.66Å; R295-E299 IonicContact NE-OE1 2.68Å; R295-E299 PolarHBondContact NE-OE1 2.79Å; R295-E299 IonicContact NE-OE2 3.61Å; R295-E299 IonicContact NH2-OE1 3.68Å; R295-E299 PolarHBondContact NH2-OE1 3.02Å; R295-E299 VanDerWaalsContact NH2-OE1 3.08Å; R295-E299 VanDerWaalsContact O-CB 3.3Å; R295-E299 WeakPolarHBondContact O-CB 3.37Å; R295-E299 VanDerWaalsContact O-CG 3.23Å; R295-E299 WeakPolarHBondContact O-CG 3.48Å; R295-E299 PolarHBondContact O-N 2.8Å; E299-T303 WeakPolarHBondContact O-CB 3.23Å; E299-T303 PolarHBondContact O-N 3.31Å; E299-T303 PolarHBondContact O-OG1 3.45Å; E299-T303 VanDerWaalsContact O-OG1 3.04Å; E299-R479 IonicContact OE1-NH1 2.71Å; E299-Q600 WeakPolarHBondContact OE1-CB 3.29Å; E299-F601 HydrophobicContact CB-CB 3.69Å; E299-F601 PolarHBondContact OE2-N 3.48Å; E299-R604 IonicContact OE2-CZ 2.75Å; E299-R604 IonicContact OE2-NH1 3.62Å; E299-R604 PolarHBondContact OE2-NH1 3.02Å; E299-R604 IonicContact OE2-NH2 3.05Å; E299-R604 PolarHBondContact OE2-NH2 2.98Å
300	A	90.1	Very high	86.7	Confident	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-61.7	-45.4	174.2	0	0	0	0	0	111.2	F296 T297 E298 L304 L643	F296-A300 PolarHBondContact O-N 2.87Å; T297-A300 PolarHBondContact O-N 2.92Å; E298-A300 VanDerWaalsContact C-N 3.32Å; E298-A300 PolarHBondContact O-N 2.83Å; A300-L304 WeakPolarHBondContact O-CB 3.41Å; A300-L304 PolarHBondContact O-N 2.86Å; A300-L643 HydrophobicContact CB-CD1 4.41Å
301	F	88.8	Confident	86.9	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-66.6	-45.8	177.8	179.5	-102.4	0	0	0	113	T297 E298 T303 L304 I305 I472 I476 T516 F656 L660	T297-F301 WeakPolarHBondContact O-CB 3.29Å; T297-F301 PolarHBondContact O-N 3.21Å; E298-F301 PolarHBondContact O-N 3.45Å; F301-T303 PolarHBondContact O-N 2.85Å; F301-L304 PolarHBondContact O-N 3.27Å; F301-I305 HydrophobicContact CD1-CD1 3.9Å; F301-I305 HydrophobicContact CD2-CD1 4.11Å; F301-I305 HydrophobicContact CE1-CD1 3.39Å; F301-I305 HydrophobicContact CE2-CD1 3.6Å; F301-I305 HydrophobicContact CE2-CG1 4.42Å; F301-I305 HydrophobicContact CG-CD1 4.28Å; F301-I305 HydrophobicContact CZ-CD1 3.24Å; F301-I305 HydrophobicContact CZ-CG1 4.45Å; F301-I305 PolarHBondContact O-N 3.15Å; F301-I472 HydrophobicContact CB-CG2 4.3Å; F301-I472 HydrophobicContact CD1-CB 4.16Å; F301-I472 HydrophobicContact CD1-CG2 3.23Å; F301-I472 HydrophobicContact CD2-CD1 4.49Å; F301-I472 HydrophobicContact CE1-CB 3.95Å; F301-I472 HydrophobicContact CE1-CD1 4.49Å; F301-I472 HydrophobicContact CE1-CG2 3.52Å; F301-I472 HydrophobicContact CE2-CD1 4.43Å; F301-I472 HydrophobicContact CG-CG2 3.91Å; F301-I472 HydrophobicContact CZ-CD1 4.41Å; F301-I472 HydrophobicContact CZ-CG2 4.42Å; F301-I476 HydrophobicContact CD1-CD1 4Å; F301-T516 HydrophobicContact CD1-CG2 4.49Å; F301-T516 HydrophobicContact CE1-CG2 3.63Å; F301-T516 HydrophobicContact CZ-CG2 4.33Å; F301-F656 HydrophobicContact CD2-CE1 4.33Å; F301-F656 AromaticContact CD2-CZ 3.8Å; F301-F656 HydrophobicContact CD2-CZ 3.8Å; F301-F656 AromaticContact CE2-CE1 3.67Å; F301-F656 HydrophobicContact CE2-CE1 3.67Å; F301-F656 AromaticContact CE2-CZ 3.55Å; F301-F656 HydrophobicContact CE2-CZ 3.55Å; F301-L660 HydrophobicContact CB-CD2 4.43Å; F301-L660 HydrophobicContact CD2-CD1 4.08Å; F301-L660 HydrophobicContact CD2-CD2 3.86Å; F301-L660 HydrophobicContact CE2-CD1 3.98Å
302	A	88.9	Confident	87	Confident	1 Å²	1	20.7 Å²	20.7	1%	0.008	10%	0.104	C	C	.	.	H	α-helix	trans	-61.5	-44.5	177.6	0	0	0	0	0	111.2	E298 L304 S306 I476 L520 Q599	E298-A302 VanDerWaalsContact O-CB 3.31Å; E298-A302 WeakPolarHBondContact O-CB 3.47Å; E298-A302 PolarHBondContact O-N 3.18Å; A302-L304 VanDerWaalsContact C-N 3.34Å; A302-L304 PolarHBondContact O-N 3.41Å; A302-S306 WeakPolarHBondContact O-CB 3.45Å; A302-S306 PolarHBondContact O-N 3.43Å; A302-S306 PolarHBondContact O-OG 3.2Å; A302-I476 HydrophobicContact CB-CD1 3.95Å; A302-L520 HydrophobicContact CB-CD1 4.39Å; A302-Q599 HydrophobicContact CB-CG 4.3Å
303	T	91.1	Very high	87	Confident	6 Å²	6	19.4 Å²	19.4	4%	0.037	10%	0.099	C	C	.	.	H	α-helix	trans	-63	-39.3	175.1	-69.7	0	0	0	0	112.2	E299 F301 L307 L596 F601 F640	E299-T303 WeakPolarHBondContact O-CB 3.23Å; E299-T303 PolarHBondContact O-N 3.31Å; E299-T303 PolarHBondContact O-OG1 3.45Å; E299-T303 VanDerWaalsContact O-OG1 3.04Å; F301-T303 PolarHBondContact O-N 2.85Å; T303-L307 VanDerWaalsContact O-CB 3.28Å; T303-L307 WeakPolarHBondContact O-CB 3.04Å; T303-L307 PolarHBondContact O-N 2.65Å; T303-L596 HydrophobicContact CG2-CD1 3.58Å; T303-F601 HydrophobicContact CG2-CD1 3.84Å; T303-F601 HydrophobicContact CG2-CE1 3.9Å; T303-F640 HydrophobicContact CG2-CD2 4.42Å; T303-F640 HydrophobicContact CG2-CE2 3.81Å; T303-F640 HydrophobicContact CG2-CZ 4.24Å
304	L	90.3	Very high	87.3	Confident	2 Å²	2	21.4 Å²	21.4	1%	0.01	11%	0.112	C	C	.	.	H	α-helix	trans	-62.5	-52	178.7	179.4	59.4	0	0	0	111.6	A300 F301 A302 S306 L307 I308 F640 L643 A644 E647 F656	A300-L304 WeakPolarHBondContact O-CB 3.41Å; A300-L304 PolarHBondContact O-N 2.86Å; F301-L304 PolarHBondContact O-N 3.27Å; A302-L304 VanDerWaalsContact C-N 3.34Å; A302-L304 PolarHBondContact O-N 3.41Å; L304-S306 PolarHBondContact O-N 2.85Å; L304-L307 PolarHBondContact O-N 3.25Å; L304-I308 HydrophobicContact CD1-CD1 3.84Å; L304-I308 HydrophobicContact CD1-CG1 4.36Å; L304-I308 HydrophobicContact CG-CD1 3.99Å; L304-I308 WeakPolarHBondContact O-CG1 3.41Å; L304-I308 PolarHBondContact O-N 3.41Å; L304-F640 HydrophobicContact CB-CD2 4.3Å; L304-F640 HydrophobicContact CB-CE2 3.78Å; L304-F640 HydrophobicContact CD1-CE2 4.08Å; L304-F640 HydrophobicContact CD1-CZ 4.38Å; L304-L643 HydrophobicContact CD2-CB 3.82Å; L304-A644 HydrophobicContact CD1-CB 3.73Å; L304-E647 WeakPolarHBondContact CD2-OE2 3.35Å; L304-E647 VanDerWaalsContact CG-OE2 3.28Å; L304-E647 WeakPolarHBondContact CG-OE2 3.39Å; L304-F656 HydrophobicContact CD2-CE2 3.93Å; L304-F656 HydrophobicContact CD2-CZ 4.42Å
305	I	84.4	Confident	87.3	Confident	35 Å²	35	26.7 Å²	26.7	18%	0.179	14%	0.136	C	C	.	.	H	α-helix	trans	-68.1	-38.5	-178	-58.9	172.6	0	0	0	110.9	F301 L307 I308 F309 T516 V517	F301-I305 HydrophobicContact CD1-CD1 3.9Å; F301-I305 HydrophobicContact CD2-CD1 4.11Å; F301-I305 HydrophobicContact CE1-CD1 3.39Å; F301-I305 HydrophobicContact CE2-CD1 3.6Å; F301-I305 HydrophobicContact CE2-CG1 4.42Å; F301-I305 HydrophobicContact CG-CD1 4.28Å; F301-I305 HydrophobicContact CZ-CD1 3.24Å; F301-I305 HydrophobicContact CZ-CG1 4.45Å; F301-I305 PolarHBondContact O-N 3.15Å; I305-L307 VanDerWaalsContact C-N 3.3Å; I305-L307 PolarHBondContact O-N 2.92Å; I305-I308 PolarHBondContact O-N 3.31Å; I305-F309 WeakPolarHBondContact O-CB 3.26Å; I305-F309 PolarHBondContact O-N 3.12Å; I305-T516 HydrophobicContact CD1-CG2 3.83Å; I305-T516 WeakPolarHBondContact CG2-OG1 3.36Å; I305-V517 HydrophobicContact CB-CG2 4.45Å; I305-V517 HydrophobicContact CG2-CG2 3.76Å
306	S	86.3	Confident	87.1	Confident	1 Å²	1	27.5 Å²	27.5	1%	0.007	14%	0.142	C	C	.	.	H	α-helix	trans	-63.3	-37.4	175.2	-63	0	0	0	0	112	A302 L304 L310 S595	A302-S306 WeakPolarHBondContact O-CB 3.45Å; A302-S306 PolarHBondContact O-N 3.43Å; A302-S306 PolarHBondContact O-OG 3.2Å; L304-S306 PolarHBondContact O-N 2.85Å; S306-L310 WeakPolarHBondContact O-CB 3.46Å; S306-L310 PolarHBondContact O-N 3.02Å; S306-S595 PolarHBondContact OG-OG 3.27Å
307	L	89.7	Confident	86.9	Confident	63 Å²	63	27.9 Å²	27.9	33%	0.33	14%	0.144	S	C	.	.	H	α-helix	trans	-67.1	-43.2	174.7	-176.9	64.1	0	0	0	111.7	T303 L304 I305 F309 L310 V311 F640	T303-L307 VanDerWaalsContact O-CB 3.28Å; T303-L307 WeakPolarHBondContact O-CB 3.04Å; T303-L307 PolarHBondContact O-N 2.65Å; L304-L307 PolarHBondContact O-N 3.25Å; I305-L307 VanDerWaalsContact C-N 3.3Å; I305-L307 PolarHBondContact O-N 2.92Å; L307-F309 VanDerWaalsContact C-N 3.31Å; L307-F309 PolarHBondContact O-N 3.46Å; L307-L310 WeakPolarHBondContact O-CB 3.44Å; L307-L310 PolarHBondContact O-N 3.32Å; L307-V311 HydrophobicContact CD1-CG2 4.44Å; L307-V311 HydrophobicContact CG-CG2 4.46Å; L307-V311 WeakPolarHBondContact O-CG2 3.46Å; L307-V311 PolarHBondContact O-N 3.42Å; L307-F640 HydrophobicContact CD2-CZ 3.94Å
308	I	84.4	Confident	86.9	Confident	40 Å²	40	30.9 Å²	30.9	21%	0.205	16%	0.161	C	C	.	.	H	α-helix	trans	-65	-39.8	178.6	-71.5	172.6	0	0	0	111.1	L304 I305 L310 V311 K312 E647	L304-I308 HydrophobicContact CD1-CD1 3.84Å; L304-I308 HydrophobicContact CD1-CG1 4.36Å; L304-I308 HydrophobicContact CG-CD1 3.99Å; L304-I308 WeakPolarHBondContact O-CG1 3.41Å; L304-I308 PolarHBondContact O-N 3.41Å; I305-I308 PolarHBondContact O-N 3.31Å; I308-L310 VanDerWaalsContact C-N 3.3Å; I308-L310 PolarHBondContact O-N 3.21Å; I308-V311 PolarHBondContact O-N 3.47Å; I308-K312 HydrophobicContact CG2-CD 4.23Å; I308-K312 HydrophobicContact CG2-CG 4.46Å; I308-K312 WeakPolarHBondContact O-CB 3.4Å; I308-K312 VanDerWaalsContact O-CG 3.32Å; I308-K312 WeakPolarHBondContact O-CG 3.32Å; I308-K312 PolarHBondContact O-N 2.93Å; I308-E647 HydrophobicContact CD1-CG 3.97Å; I308-E647 WeakPolarHBondContact CD1-OE1 3.02Å; I308-E647 WeakPolarHBondContact CD1-OE2 3.05Å
309	F	79.7	Confident	86.6	Confident	24 Å²	24	36.1 Å²	36.1	11%	0.105	19%	0.186	C	C	.	.	H	α-helix	trans	-62.6	-39.6	174.6	-165.8	-102.1	0	0	0	111.9	I305 L307 A313 V517 F588	I305-F309 WeakPolarHBondContact O-CB 3.26Å; I305-F309 PolarHBondContact O-N 3.12Å; L307-F309 VanDerWaalsContact C-N 3.31Å; L307-F309 PolarHBondContact O-N 3.46Å; F309-A313 PolarHBondContact O-N 2.93Å; F309-A313 VanDerWaalsContact O-N 3.15Å; F309-V517 HydrophobicContact CB-CG2 4.4Å; F309-V517 HydrophobicContact CD1-CG1 4.24Å; F309-V517 HydrophobicContact CG-CG1 4.47Å; F309-F588 HydrophobicContact CD1-CB 4.45Å; F309-F588 HydrophobicContact CE1-CB 3.57Å; F309-F588 AromaticContact CE1-CD1 3.6Å; F309-F588 HydrophobicContact CE1-CD1 3.6Å; F309-F588 HydrophobicContact CE1-CD2 4.49Å; F309-F588 HydrophobicContact CE1-CE1 4.33Å; F309-F588 AromaticContact CE1-CG 3.68Å; F309-F588 HydrophobicContact CE1-CG 3.68Å; F309-F588 HydrophobicContact CZ-CB 3.96Å; F309-F588 AromaticContact CZ-CD1 3.34Å; F309-F588 HydrophobicContact CZ-CD1 3.34Å; F309-F588 HydrophobicContact CZ-CD2 4.02Å; F309-F588 AromaticContact CZ-CE1 3.64Å; F309-F588 HydrophobicContact CZ-CE1 3.64Å; F309-F588 HydrophobicContact CZ-CE2 4.24Å; F309-F588 AromaticContact CZ-CG 3.54Å; F309-F588 HydrophobicContact CZ-CG 3.54Å; F309-F588 HydrophobicContact CZ-CZ 4.04Å
310	L	87.2	Confident	86.2	Confident	33 Å²	33	36.7 Å²	36.7	17%	0.173	19%	0.189	C	C	.	.	H	α-helix	trans	-64.8	-48	175.1	-175.3	155.8	0	0	0	111.7	S306 L307 I308 A313 V314 L589 I593	S306-L310 WeakPolarHBondContact O-CB 3.46Å; S306-L310 PolarHBondContact O-N 3.02Å; L307-L310 WeakPolarHBondContact O-CB 3.44Å; L307-L310 PolarHBondContact O-N 3.32Å; I308-L310 VanDerWaalsContact C-N 3.3Å; I308-L310 PolarHBondContact O-N 3.21Å; L310-A313 PolarHBondContact O-N 3.28Å; L310-V314 PolarHBondContact O-N 2.87Å; L310-L589 HydrophobicContact CD1-CD1 4.34Å; L310-L589 HydrophobicContact CD2-CD1 4.42Å; L310-L589 HydrophobicContact CG-CD1 3.94Å; L310-I593 HydrophobicContact CD1-CD1 4.45Å; L310-I593 HydrophobicContact CD1-CG1 3.55Å
311	V	88	Confident	85.7	Confident	63 Å²	63	38.2 Å²	38.2	38%	0.382	20%	0.199	S	C	.	.	H	α-helix	trans	-61.8	-46	178.8	171.2	0	0	0	0	110.5	L307 I308 A313 V314 E315	L307-V311 HydrophobicContact CD1-CG2 4.44Å; L307-V311 HydrophobicContact CG-CG2 4.46Å; L307-V311 WeakPolarHBondContact O-CG2 3.46Å; L307-V311 PolarHBondContact O-N 3.42Å; I308-V311 PolarHBondContact O-N 3.47Å; V311-A313 VanDerWaalsContact C-N 3.29Å; V311-A313 PolarHBondContact O-N 3.11Å; V311-V314 CarbonylContact O-C 3.25Å; V311-V314 WeakPolarHBondContact O-CA 3.16Å; V311-V314 WeakPolarHBondContact O-CB 3.45Å; V311-V314 PolarHBondContact O-N 3.15Å; V311-E315 HydrophobicContact CG1-CG 4.11Å; V311-E315 WeakPolarHBondContact CG1-OE1 3.35Å; V311-E315 WeakPolarHBondContact O-CG 3.49Å; V311-E315 PolarHBondContact O-N 3.18Å
312	K	81.8	Confident	85	Confident	75 Å²	75	44.9 Å²	44.9	33%	0.326	23%	0.23	S	C	.	.	H	α-helix	trans	-58.2	-38.6	176.4	-78.3	-175.1	175.5	-173.3	0	113.3	I308 V314 E315 E316	I308-K312 HydrophobicContact CG2-CD 4.23Å; I308-K312 HydrophobicContact CG2-CG 4.46Å; I308-K312 WeakPolarHBondContact O-CB 3.4Å; I308-K312 VanDerWaalsContact O-CG 3.32Å; I308-K312 WeakPolarHBondContact O-CG 3.32Å; I308-K312 PolarHBondContact O-N 2.93Å; K312-V314 PolarHBondContact O-N 3.02Å; K312-E315 PolarHBondContact O-N 2.9Å; K312-E316 WeakPolarHBondContact O-CB 3.32Å; K312-E316 PolarHBondContact O-N 3.42Å
313	A	84.3	Confident	84.2	Confident	4 Å²	4	49.9 Å²	49.9	3%	0.033	26%	0.261	C	S	.	.	H	α-helix	trans	-63.5	-33	176.6	0	0	0	0	0	112.3	F309 L310 V311 L317 F588	F309-A313 PolarHBondContact O-N 2.93Å; F309-A313 VanDerWaalsContact O-N 3.15Å; L310-A313 PolarHBondContact O-N 3.28Å; V311-A313 VanDerWaalsContact C-N 3.29Å; V311-A313 PolarHBondContact O-N 3.11Å; A313-L317 PolarHBondContact O-N 3.42Å; A313-F588 HydrophobicContact CB-CB 3.98Å
314	V	90.2	Very high	83.2	Confident	61 Å²	61	51.2 Å²	51.2	37%	0.37	27%	0.27	S	S	.	.	H	α-helix	trans	-77.7	-41.8	175.4	178.1	0	0	0	0	111.2	L310 V311 K312 E316 L317 V318	L310-V314 PolarHBondContact O-N 2.87Å; V311-V314 CarbonylContact O-C 3.25Å; V311-V314 WeakPolarHBondContact O-CA 3.16Å; V311-V314 WeakPolarHBondContact O-CB 3.45Å; V311-V314 PolarHBondContact O-N 3.15Å; K312-V314 PolarHBondContact O-N 3.02Å; V314-E316 VanDerWaalsContact C-N 3.34Å; V314-E316 PolarHBondContact O-N 3.5Å; V314-L317 WeakPolarHBondContact O-CB 3Å; V314-L317 PolarHBondContact O-N 3.01Å; V314-L317 VanDerWaalsContact O-N 3.17Å; V314-V318 HydrophobicContact CG1-CG2 4.49Å; V314-V318 WeakPolarHBondContact O-CG2 3.39Å; V314-V318 PolarHBondContact O-N 2.97Å
315	E	86.3	Confident	81.9	Confident	113 Å²	113	53.3 Å²	53.3	53%	0.528	28%	0.284	S	S	.	.	H	α-helix	trans	-57.5	-46.3	176.2	-73.1	175	168	0	0	111.5	V311 K312 L317 V318 E319	V311-E315 HydrophobicContact CG1-CG 4.11Å; V311-E315 WeakPolarHBondContact CG1-OE1 3.35Å; V311-E315 WeakPolarHBondContact O-CG 3.49Å; V311-E315 PolarHBondContact O-N 3.18Å; K312-E315 PolarHBondContact O-N 2.9Å; E315-L317 VanDerWaalsContact C-N 3.28Å; E315-L317 PolarHBondContact O-N 2.75Å; E315-V318 CarbonylContact O-C 3.57Å; E315-V318 WeakPolarHBondContact O-CA 3.31Å; E315-V318 WeakPolarHBondContact O-CB 3.47Å; E315-V318 PolarHBondContact O-N 3.24Å; E315-E319 PolarHBondContact O-N 3.17Å
316	E	81.3	Confident	80.7	Confident	45 Å²	45	55.1 Å²	55.1	21%	0.21	30%	0.297	C	S	.	.	H	α-helix	trans	-62.8	-35.5	177.9	-162.6	80.6	-170.5	0	0	111.9	K312 V314 E319 I320 M581 L585	K312-E316 WeakPolarHBondContact O-CB 3.32Å; K312-E316 PolarHBondContact O-N 3.42Å; V314-E316 VanDerWaalsContact C-N 3.34Å; V314-E316 PolarHBondContact O-N 3.5Å; E316-E319 PolarHBondContact O-N 3.49Å; E316-I320 WeakPolarHBondContact O-CG1 3.48Å; E316-I320 PolarHBondContact O-N 3.47Å; E316-M581 HydrophobicContact CG-CE 3.76Å; E316-M581 WeakPolarHBondContact OE1-CE 3.2Å; E316-L585 HydrophobicContact CB-CD1 3.88Å; E316-L585 HydrophobicContact CB-CD2 3.82Å; E316-L585 HydrophobicContact CG-CD1 3.89Å; E316-L585 HydrophobicContact CG-CD2 3.9Å; E316-L585 HydrophobicContact CG-CG 4.5Å
317	L	87.2	Confident	79.2	Confident	9 Å²	9	58.3 Å²	58.3	5%	0.047	31%	0.313	C	S	.	.	H	α-helix	trans	-66.6	-39.9	173.8	-177	67.4	0	0	0	111.2	A313 V314 E315 E319 I320 S321 F365 F369 F372 L585	A313-L317 PolarHBondContact O-N 3.42Å; V314-L317 WeakPolarHBondContact O-CB 3Å; V314-L317 PolarHBondContact O-N 3.01Å; V314-L317 VanDerWaalsContact O-N 3.17Å; E315-L317 VanDerWaalsContact C-N 3.28Å; E315-L317 PolarHBondContact O-N 2.75Å; L317-E319 VanDerWaalsContact C-N 3.33Å; L317-I320 WeakPolarHBondContact O-CB 3.22Å; L317-I320 PolarHBondContact O-N 2.94Å; L317-S321 PolarHBondContact O-N 3.26Å; L317-F365 WeakPolarHBondContact O-CE2 3.31Å; L317-F369 HydrophobicContact CD2-CD2 3.99Å; L317-F372 HydrophobicContact CD1-CB 4.13Å; L317-F372 HydrophobicContact CD1-CG 4.32Å; L317-F372 HydrophobicContact CD2-CB 4.16Å; L317-F372 HydrophobicContact CD2-CD1 3.5Å; L317-F372 VanDerWaalsContact CD2-CD1 3.5Å; L317-F372 HydrophobicContact CD2-CD2 4.07Å; L317-F372 HydrophobicContact CD2-CE1 3.77Å; L317-F372 HydrophobicContact CD2-CE2 4.3Å; L317-F372 HydrophobicContact CD2-CG 3.65Å; L317-F372 HydrophobicContact CD2-CZ 4.16Å; L317-L585 HydrophobicContact CB-CD1 4.29Å
318	V	87.4	Confident	77.7	Confident	70 Å²	70	61.9 Å²	61.9	42%	0.424	34%	0.337	S	S	.	.	H	α-helix	trans	-66.8	-35.4	176	173.5	0	0	0	0	111.1	V314 E315 I320 S321 H322	V314-V318 HydrophobicContact CG1-CG2 4.49Å; V314-V318 WeakPolarHBondContact O-CG2 3.39Å; V314-V318 PolarHBondContact O-N 2.97Å; E315-V318 CarbonylContact O-C 3.57Å; E315-V318 WeakPolarHBondContact O-CA 3.31Å; E315-V318 WeakPolarHBondContact O-CB 3.47Å; E315-V318 PolarHBondContact O-N 3.24Å; V318-I320 VanDerWaalsContact C-N 3.29Å; V318-I320 PolarHBondContact O-N 3.28Å; V318-S321 WeakPolarHBondContact O-CA 3.45Å; V318-S321 WeakPolarHBondContact O-CB 3.26Å; V318-S321 PolarHBondContact O-N 2.91Å; V318-H322 PolarHBondContact O-CD2 3.45Å; V318-H322 PolarHBondContact O-N 2.76Å
319	E	81.7	Confident	76.1	Confident	114 Å²	114	62.8 Å²	62.8	53%	0.533	35%	0.347	S	S	.	.	H	α-helix	trans	-62.4	-35	175	-171.6	163.6	-171.8	0	0	112.5	E315 E316 L317 S321 H322 T323	E315-E319 PolarHBondContact O-N 3.17Å; E316-E319 PolarHBondContact O-N 3.49Å; L317-E319 VanDerWaalsContact C-N 3.33Å; E319-S321 PolarHBondContact O-N 3.4Å; E319-H322 PolarHBondContact O-N 3.02Å; E319-H322 VanDerWaalsContact O-N 3.16Å; E319-T323 PolarHBondContact O-N 2.95Å; E319-T323 VanDerWaalsContact O-N 3.11Å; E319-T323 PolarHBondContact O-OG1 3.39Å; E319-T323 VanDerWaalsContact O-OG1 3.11Å
320	I	80.4	Confident	74.7	Confident	11 Å²	11	69 Å²	69	6%	0.056	38%	0.378	C	S	.	.	H	α-helix	trans	-62.1	-33.5	170.5	-62.6	166.9	0	0	0	111	E316 L317 V318 T323 S324 F365 P423 M581 P582 L585	E316-I320 WeakPolarHBondContact O-CG1 3.48Å; E316-I320 PolarHBondContact O-N 3.47Å; L317-I320 WeakPolarHBondContact O-CB 3.22Å; L317-I320 PolarHBondContact O-N 2.94Å; V318-I320 VanDerWaalsContact C-N 3.29Å; V318-I320 PolarHBondContact O-N 3.28Å; I320-T323 PolarHBondContact O-N 3.27Å; I320-S324 PolarHBondContact O-N 2.9Å; I320-F365 HydrophobicContact CG2-CD2 4.36Å; I320-P423 HydrophobicContact CD1-CG 4.08Å; I320-P423 HydrophobicContact CG1-CG 4.3Å; I320-P423 HydrophobicContact CG2-CG 4.27Å; I320-M581 HydrophobicContact CD1-CE 4.24Å; I320-P582 HydrophobicContact CD1-CG 4.09Å; I320-L585 HydrophobicContact CD1-CD1 4.18Å
321	S	80.3	Confident	72.8	Confident	32 Å²	32	75.2 Å²	75.2	22%	0.224	41%	0.406	C	S	.	.	H	α-helix	trans	-63.9	-39.4	174.8	-152.2	0	0	0	0	112.3	L317 V318 E319 T323 S324 P325 F365	L317-S321 PolarHBondContact O-N 3.26Å; V318-S321 WeakPolarHBondContact O-CA 3.45Å; V318-S321 WeakPolarHBondContact O-CB 3.26Å; V318-S321 PolarHBondContact O-N 2.91Å; E319-S321 PolarHBondContact O-N 3.4Å; S321-T323 VanDerWaalsContact C-N 3.35Å; S321-S324 CarbonylContact O-C 3.28Å; S321-S324 VanDerWaalsContact O-C 3.25Å; S321-P325 WeakPolarHBondContact O-CA 3.46Å; S321-P325 VanDerWaalsContact O-N 3.08Å; S321-F365 WeakPolarHBondContact OG-CE2 3.22Å; S321-F365 WeakPolarHBondContact OG-CZ 3.33Å
322	H	75	Confident	70.7	Confident	140 Å²	140	82 Å²	82	65%	0.648	43%	0.425	S	S	*	.	H	α-helix	trans	-69.7	-35.2	177.6	-70.4	-65.6	0	0	0	112.2	V318 E319	V318-H322 PolarHBondContact O-CD2 3.45Å; V318-H322 PolarHBondContact O-N 2.76Å; E319-H322 PolarHBondContact O-N 3.02Å; E319-H322 VanDerWaalsContact O-N 3.16Å
323	T	71.1	Confident	68.9	Low	106 Å²	106	84.9 Å²	84.9	65%	0.65	44%	0.44	S	S	*	.	H	α-helix	trans	-75.4	-31.4	178.3	-51.2	0	0	0	0	112.1	E319 I320 S321	E319-T323 PolarHBondContact O-N 2.95Å; E319-T323 VanDerWaalsContact O-N 3.11Å; E319-T323 PolarHBondContact O-OG1 3.39Å; E319-T323 VanDerWaalsContact O-OG1 3.11Å; I320-T323 PolarHBondContact O-N 3.27Å; S321-T323 VanDerWaalsContact C-N 3.35Å
324	S	70	Confident	67.1	Low	34 Å²	34	91.6 Å²	91.6	24%	0.238	47%	0.474	C	S	.	.	S	Bend	trans	-138.8	77.3	180	-67.8	0	0	0	0	110.7	I320 S321 F365	I320-S324 PolarHBondContact O-N 2.9Å; S321-S324 CarbonylContact O-C 3.28Å; S321-S324 VanDerWaalsContact O-C 3.25Å; S324-F365 VanDerWaalsContact O-CB 3.27Å; S324-F365 WeakPolarHBondContact O-CB 3.17Å
325	P	63.2	Low	64.9	Low	46 Å²	46	96.6 Å²	96.6	30%	0.299	49%	0.494	S	S	.	.			trans	-65.8	159.9	-173.4	25.3	-34.1	0	0	0	112.8	S321 Y360	S321-P325 WeakPolarHBondContact O-CA 3.46Å; S321-P325 VanDerWaalsContact O-N 3.08Å; P325-Y360 HydrophobicContact CG-CE2 4.49Å; P325-Y360 WeakPolarHBondContact O-CE2 3.35Å
326	V	60.4	Low	62.9	Low	74 Å²	74	99.5 Å²	99.5	45%	0.448	51%	0.507	S	S	.	.			trans	-94.2	97.5	168.9	-176.5	0	0	0	0	108.5	T328 F365	V326-T328 PolarHBondContact O-N 2.98Å; V326-F365 HydrophobicContact CG2-CB 4.1Å; V326-F365 HydrophobicContact CG2-CD1 3.53Å; V326-F365 HydrophobicContact CG2-CE1 4.45Å; V326-F365 HydrophobicContact CG2-CG 4.24Å
327	M	54.7	Low	61.3	Low	68 Å²	68	102.3 Å²	102.3	34%	0.335	53%	0.527	S	S	.	.			trans	-76.6	115.7	168	-66.5	-169.6	-43	0	0	110.2	Q357 Y360	M327-Q357 HydrophobicContact SD-CG 4.5Å; M327-Y360 WeakPolarHBondContact CA-OH 3.48Å; M327-Y360 HydrophobicContact CB-CE1 4.33Å; M327-Y360 HydrophobicContact CB-CE2 3.89Å; M327-Y360 VanDerWaalsContact CB-OH 3.32Å; M327-Y360 WeakPolarHBondContact CB-OH 3.42Å; M327-Y360 HydrophobicContact CE-CD1 3.63Å; M327-Y360 HydrophobicContact CE-CD2 3.89Å; M327-Y360 HydrophobicContact CE-CE1 3.59Å; M327-Y360 HydrophobicContact CE-CE2 3.83Å; M327-Y360 HydrophobicContact CE-CG 3.8Å; M327-Y360 HydrophobicContact CG-CD2 4.26Å; M327-Y360 HydrophobicContact CG-CE2 3.56Å; M327-Y360 PolarHBondContact N-OH 3Å; M327-Y360 PolarHBondContact O-OH 3.23Å; M327-Y360 HydrophobicContact SD-CD2 4.34Å; M327-Y360 HydrophobicContact SD-CE2 4.18Å
328	T	56.2	Low	59.3	Low	137 Å²	137	111.8 Å²	111.8	84%	0.84	57%	0.568	S	S	*	*	S	Bend	trans	-87.5	-19	173.8	49.5	0	0	0	0	113.5	V326	V326-T328 PolarHBondContact O-N 2.98Å
329	S	51.7	Low	57.6	Low	60 Å²	60	119.1 Å²	119.1	42%	0.42	59%	0.588	S	S	.	*			trans	-134.3	105.7	-178	72.3	0	0	0	0	111.9	E331	S329-E331 PolarHBondContact O-N 3.08Å
330	M	49.4	Very low	56.2	Low	153 Å²	153	125.7 Å²	125.7	75%	0.754	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	-25.3	168.9	-164.3	76.1	-178.2	0	0	111.7	R332	M330-R332 PolarHBondContact O-N 2.96Å
331	E	48.4	Very low	55.2	Low	165 Å²	165	129.7 Å²	129.7	77%	0.771	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	-34.2	-166.2	-128	84.1	-152.1	0	0	115.8	S329	S329-E331 PolarHBondContact O-N 3.08Å
332	R	43.3	Very low	54.3	Low	206 Å²	206	130.7 Å²	130.7	78%	0.777	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-20.8	-162.2	-89.3	-175.6	-177.3	165	2.1	116.2	M330	M330-R332 PolarHBondContact O-N 2.96Å
333	Q	43.9	Very low	53.7	Low	134 Å²	134	130.8 Å²	130.8	63%	0.626	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.2	-12.7	-178.1	-70.7	-139	-37.3	0	0	114.6	Q335	Q333-Q335 PolarHBondContact O-N 3.47Å
334	L	46.1	Very low	53.5	Low	146 Å²	146	130.6 Å²	130.6	76%	0.764	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	-11.4	179.2	-147.1	77.5	0	0	0	113.3
335	Q	44.8	Very low	53.4	Low	165 Å²	165	135.3 Å²	135.3	77%	0.771	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	-21.6	-179.6	-78.1	-175.9	-21.8	0	0	114.4	Q333	Q333-Q335 PolarHBondContact O-N 3.47Å
336	H	43.5	Very low	53.6	Low	174 Å²	174	134.6 Å²	134.6	81%	0.806	65%	0.648	S	S	*	*	S	Bend	trans	-94.3	-10.7	-174.6	-83.2	-66.9	0	0	0	115.7	K338	H336-K338 PolarHBondContact O-N 2.94Å
337	V	49.2	Very low	53.9	Low	105 Å²	105	135.7 Å²	135.7	64%	0.636	65%	0.651	S	S	*	*			trans	-94.9	80.6	177.2	-172.4	0	0	0	0	109.9	R339	V337-R339 PolarHBondContact O-N 2.73Å; V337-R339 VanDerWaalsContact O-N 3.1Å
338	K	45.4	Very low	54.8	Low	207 Å²	207	138.1 Å²	138.1	90%	0.9	67%	0.67	S	S	*	*			trans	-73.8	12	177.7	-134	175.4	-174.1	178.1	0	114.2	H336	H336-K338 PolarHBondContact O-N 2.94Å
339	R	51.6	Low	55.6	Low	225 Å²	225	137.8 Å²	137.8	85%	0.849	66%	0.662	S	S	*	*	S	Bend	trans	-117.6	96.2	170.6	-89.9	-178.5	173.1	170.3	-1.8	110.2	V337 L341	V337-R339 PolarHBondContact O-N 2.73Å; V337-R339 VanDerWaalsContact O-N 3.1Å; R339-L341 PolarHBondContact O-N 3.07Å
340	R	52.4	Low	56.2	Low	252 Å²	252	138.2 Å²	138.2	95%	0.951	68%	0.676	S	S	*	*			trans	-70.7	84.4	176.7	-68.6	179.6	-176.3	177.7	0.4	110.9
341	L	58.4	Low	56.9	Low	94 Å²	94	132.2 Å²	132.2	49%	0.492	65%	0.653	S	S	.	*			trans	-101.9	112.6	155.5	-162.1	70.9	0	0	0	107.4	R339 K345 C346 I349	R339-L341 PolarHBondContact O-N 3.07Å; L341-K345 HydrophobicContact CD1-CB 3.71Å; L341-K345 HydrophobicContact CD1-CD 4.18Å; L341-K345 HydrophobicContact CG-CB 3.92Å; L341-C346 HydrophobicContact CD2-CB 3.93Å; L341-I349 HydrophobicContact CD2-CD1 4.37Å
342	A	62	Low	57.4	Low	54 Å²	54	128.3 Å²	128.3	45%	0.446	65%	0.649	S	S	.	*			trans	-59.5	142.2	176.4	0	0	0	0	0	109.7	T344 K345 C346	A342-T344 PolarHBondContact O-N 3.38Å; A342-K345 WeakPolarHBondContact O-CA 3.27Å; A342-K345 PolarHBondContact O-N 3.06Å; A342-C346 PolarHBondContact O-N 2.66Å; A342-C346 VanDerWaalsContact O-N 3.11Å
343	K	62.7	Low	58.2	Low	141 Å²	141	121.8 Å²	121.8	61%	0.613	63%	0.632	S	S	*	*	H	α-helix	trans	-45.4	-40.9	179.6	-178.2	179.6	179.3	176.1	0	112.4	C346 L347	K343-C346 PolarHBondContact O-N 2.7Å; K343-L347 HydrophobicContact CG-CD1 4.11Å; K343-L347 WeakPolarHBondContact O-CG 3.22Å; K343-L347 PolarHBondContact O-N 3.42Å; K343-L347 VanDerWaalsContact O-N 3.09Å
344	T	65.4	Low	58.6	Low	102 Å²	102	124 Å²	124	63%	0.626	64%	0.642	S	S	*	*	H	α-helix	trans	-61.6	-41.2	177.2	48.5	0	0	0	0	113.3	A342 T348	A342-T344 PolarHBondContact O-N 3.38Å; T344-T348 PolarHBondContact O-N 2.69Å; T344-T348 PolarHBondContact O-OG1 3.13Å; T344-T348 VanDerWaalsContact O-OG1 3.04Å
345	K	69	Low	59.1	Low	133 Å²	133	119.6 Å²	119.6	58%	0.578	63%	0.632	S	S	*	*	H	α-helix	trans	-71.5	-32.8	175.9	-74.6	-173.1	176.5	-177.1	0	112.8	L341 A342 T348 I349	L341-K345 HydrophobicContact CD1-CB 3.71Å; L341-K345 HydrophobicContact CD1-CD 4.18Å; L341-K345 HydrophobicContact CG-CB 3.92Å; A342-K345 WeakPolarHBondContact O-CA 3.27Å; A342-K345 PolarHBondContact O-N 3.06Å; K345-T348 WeakPolarHBondContact CA-OG1 3.48Å; K345-T348 PolarHBondContact O-OG1 3.07Å; K345-T348 VanDerWaalsContact O-OG1 3.13Å; K345-I349 VanDerWaalsContact O-CD1 3.29Å; K345-I349 WeakPolarHBondContact O-CD1 3.41Å; K345-I349 VanDerWaalsContact O-CG1 3.27Å; K345-I349 WeakPolarHBondContact O-CG1 3.33Å; K345-I349 PolarHBondContact O-N 2.91Å
346	C	66.7	Low	59.5	Low	31 Å²	31	118.3 Å²	118.3	21%	0.209	63%	0.63	C	S	.	*	H	α-helix	trans	-65.7	-46.2	176.2	-168.3	0	0	0	0	111.1	L341 A342 K343 I349 G350 G351	L341-C346 HydrophobicContact CD2-CB 3.93Å; A342-C346 PolarHBondContact O-N 2.66Å; A342-C346 VanDerWaalsContact O-N 3.11Å; K343-C346 PolarHBondContact O-N 2.7Å; C346-I349 PolarHBondContact O-N 3.37Å; C346-G350 PolarHBondContact O-N 2.98Å; C346-G351 WeakPolarHBondContact O-CA 3.32Å; C346-G351 PolarHBondContact O-N 3.42Å
347	L	66.9	Low	59.9	Low	98 Å²	98	115.3 Å²	115.3	51%	0.513	62%	0.616	S	S	.	*	H	α-helix	trans	-66.1	-37.4	179.2	-71.3	167.6	0	0	0	112.8	K343 I349 G350 V353	K343-L347 HydrophobicContact CG-CD1 4.11Å; K343-L347 WeakPolarHBondContact O-CG 3.22Å; K343-L347 PolarHBondContact O-N 3.42Å; K343-L347 VanDerWaalsContact O-N 3.09Å; L347-I349 VanDerWaalsContact C-N 3.28Å; L347-I349 PolarHBondContact O-N 3.23Å; L347-G350 PolarHBondContact O-N 3.44Å; L347-G350 VanDerWaalsContact O-N 3.08Å; L347-V353 HydrophobicContact CD2-CG2 4.34Å
348	T	73.8	Confident	60.1	Low	118 Å²	118	112.1 Å²	112.1	72%	0.724	60%	0.598	S	S	*	*	H	α-helix	trans	-70.2	-23.4	176.2	43.8	0	0	0	0	113.6	T344 K345 G350	T344-T348 PolarHBondContact O-N 2.69Å; T344-T348 PolarHBondContact O-OG1 3.13Å; T344-T348 VanDerWaalsContact O-OG1 3.04Å; K345-T348 WeakPolarHBondContact CA-OG1 3.48Å; K345-T348 PolarHBondContact O-OG1 3.07Å; K345-T348 VanDerWaalsContact O-OG1 3.13Å; T348-G350 PolarHBondContact O-N 2.91Å
349	I	74.1	Confident	60.4	Low	131 Å²	131	109.6 Å²	109.6	67%	0.672	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	2.9	173.1	-63.1	163.9	0	0	0	111	L341 K345 C346 L347 G351	L341-I349 HydrophobicContact CD2-CD1 4.37Å; K345-I349 VanDerWaalsContact O-CD1 3.29Å; K345-I349 WeakPolarHBondContact O-CD1 3.41Å; K345-I349 VanDerWaalsContact O-CG1 3.27Å; K345-I349 WeakPolarHBondContact O-CG1 3.33Å; K345-I349 PolarHBondContact O-N 2.91Å; C346-I349 PolarHBondContact O-N 3.37Å; L347-I349 VanDerWaalsContact C-N 3.28Å; L347-I349 PolarHBondContact O-N 3.23Å; I349-G351 PolarHBondContact O-N 2.9Å
350	G	64.3	Low	60.6	Low	69 Å²	69	101.5 Å²	101.5	71%	0.711	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	73.8	15.3	-176.8	0	0	0	0	0	113.3	C346 L347 T348	C346-G350 PolarHBondContact O-N 2.98Å; L347-G350 PolarHBondContact O-N 3.44Å; L347-G350 VanDerWaalsContact O-N 3.08Å; T348-G350 PolarHBondContact O-N 2.91Å
351	G	63.9	Low	60.9	Low	27 Å²	27	94.3 Å²	94.3	28%	0.278	54%	0.54	S	S	.	.			trans	-71.1	128.3	175.3	0	0	0	0	0	111.2	C346 I349	C346-G351 WeakPolarHBondContact O-CA 3.32Å; C346-G351 PolarHBondContact O-N 3.42Å; I349-G351 PolarHBondContact O-N 2.9Å
352	A	58.5	Low	61.1	Low	83 Å²	83	92.7 Å²	92.7	69%	0.686	54%	0.535	S	S	*	.			trans	-81	131.9	167.3	0	0	0	0	0	109.3	E354	A352-E354 PolarHBondContact O-N 2.85Å
353	V	60.3	Low	61.8	Low	69 Å²	69	94.2 Å²	94.2	42%	0.418	54%	0.535	S	S	.	.			trans	-89.7	108.4	178.1	-143.4	0	0	0	0	108	L347 C358	L347-V353 HydrophobicContact CD2-CG2 4.34Å; V353-C358 HydrophobicContact CB-CB 4.1Å; V353-C358 VanDerWaalsContact CB-SG 3.51Å; V353-C358 HydrophobicContact CG1-CB 4.35Å; V353-C358 WeakPolarHBondContact CG1-SG 3.09Å
354	E	51.7	Low	62.9	Low	181 Å²	181	87.7 Å²	87.7	85%	0.846	51%	0.508	S	S	*	.			trans	-103.4	133.3	178.5	-67.4	-173.9	170.2	0	0	110.7	A352	A352-E354 PolarHBondContact O-N 2.85Å
355	G	57.5	Low	63.9	Low	53 Å²	53	84.8 Å²	84.8	55%	0.546	49%	0.486	S	S	.	.	S	Bend	trans	139.1	152.5	178	0	0	0	0	0	113.1	Q357 C358	G355-Q357 PolarHBondContact O-N 3.02Å; G355-C358 PolarHBondContact O-N 2.88Å
356	L	53.4	Low	64.8	Low	138 Å²	138	83.2 Å²	83.2	72%	0.723	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-24.2	-176.9	-81	124.1	0	0	0	114.2
357	Q	51.8	Low	65.9	Low	110 Å²	110	82.6 Å²	82.6	51%	0.514	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-15.7	-178.5	-75.3	166.4	-10	0	0	114.4	M327 G355	M327-Q357 HydrophobicContact SD-CG 4.5Å; G355-Q357 PolarHBondContact O-N 3.02Å
358	C	52.2	Low	67.1	Low	38 Å²	38	78 Å²	78	26%	0.257	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-27	-169.3	-59.7	0	0	0	0	113.9	V353 G355	V353-C358 HydrophobicContact CB-CB 4.1Å; V353-C358 VanDerWaalsContact CB-SG 3.51Å; V353-C358 HydrophobicContact CG1-CB 4.35Å; V353-C358 WeakPolarHBondContact CG1-SG 3.09Å; G355-C358 PolarHBondContact O-N 2.88Å
359	N	51.4	Low	67.9	Low	155 Å²	155	77.1 Å²	77.1	83%	0.829	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.9	22.4	178.4	-75.9	-20.7	0	0	0	112.7	K361	N359-K361 PolarHBondContact O-N 3.14Å; N359-K361 VanDerWaalsContact O-N 3.15Å
360	Y	55.4	Low	68.9	Low	55 Å²	55	75 Å²	75	22%	0.216	43%	0.427	C	S	.	.			trans	-63.4	114.5	-178.2	178	-95.4	0	0	0	111.4	P325 M327 P362	P325-Y360 HydrophobicContact CG-CE2 4.49Å; P325-Y360 WeakPolarHBondContact O-CE2 3.35Å; M327-Y360 WeakPolarHBondContact CA-OH 3.48Å; M327-Y360 HydrophobicContact CB-CE1 4.33Å; M327-Y360 HydrophobicContact CB-CE2 3.89Å; M327-Y360 VanDerWaalsContact CB-OH 3.32Å; M327-Y360 WeakPolarHBondContact CB-OH 3.42Å; M327-Y360 HydrophobicContact CE-CD1 3.63Å; M327-Y360 HydrophobicContact CE-CD2 3.89Å; M327-Y360 HydrophobicContact CE-CE1 3.59Å; M327-Y360 HydrophobicContact CE-CE2 3.83Å; M327-Y360 HydrophobicContact CE-CG 3.8Å; M327-Y360 HydrophobicContact CG-CD2 4.26Å; M327-Y360 HydrophobicContact CG-CE2 3.56Å; M327-Y360 PolarHBondContact N-OH 3Å; M327-Y360 PolarHBondContact O-OH 3.23Å; M327-Y360 HydrophobicContact SD-CD2 4.34Å; M327-Y360 HydrophobicContact SD-CE2 4.18Å; Y360-P362 HydrophobicContact CE1-CB 3.54Å; Y360-P362 HydrophobicContact CE1-CG 3.97Å; Y360-P362 WeakPolarHBondContact OH-CA 3.34Å; Y360-P362 WeakPolarHBondContact OH-CB 3.49Å
361	K	59.1	Low	70.3	Confident	100 Å²	100	71.8 Å²	71.8	44%	0.435	39%	0.394	S	S	.	.			trans	-110.3	103.9	169.7	-70.7	-179.8	-177.7	169.9	0	108.1	N359 D363 V364 D421	N359-K361 PolarHBondContact O-N 3.14Å; N359-K361 VanDerWaalsContact O-N 3.15Å; K361-D363 PolarHBondContact O-N 2.98Å; K361-D363 VanDerWaalsContact O-N 3.1Å; K361-V364 HydrophobicContact CB-CG2 3.52Å; K361-V364 HydrophobicContact CD-CG2 4.19Å; K361-V364 HydrophobicContact CG-CG2 4.5Å; K361-V364 PolarHBondContact O-N 3.22Å; K361-D421 IonicContact NZ-OD2 2.58Å; K361-D421 PolarHBondContact NZ-OD2 2.9Å
362	P	63.3	Low	71.7	Confident	60 Å²	60	71 Å²	71	39%	0.39	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-30.8	-169.7	15.9	-27.2	0	0	0	114.4	Y360	Y360-P362 HydrophobicContact CE1-CB 3.54Å; Y360-P362 HydrophobicContact CE1-CG 3.97Å; Y360-P362 WeakPolarHBondContact OH-CA 3.34Å; Y360-P362 WeakPolarHBondContact OH-CB 3.49Å
363	D	77.4	Confident	73.5	Confident	86 Å²	86	68.4 Å²	68.4	46%	0.46	36%	0.359	S	S	.	.	H	α-helix	trans	-93.4	-3.9	-166.5	-53.9	-39.5	0	0	0	113.6	K361 F367	K361-D363 PolarHBondContact O-N 2.98Å; K361-D363 VanDerWaalsContact O-N 3.1Å; D363-F367 WeakPolarHBondContact O-CB 3.4Å; D363-F367 PolarHBondContact O-N 3.22Å
364	V	84.3	Confident	75.2	Confident	5 Å²	5	66 Å²	66	3%	0.03	35%	0.349	C	S	.	.	H	α-helix	trans	-64.6	-50	-173.9	174.2	0	0	0	0	111.6	K361 S368 V420 V422	K361-V364 HydrophobicContact CB-CG2 3.52Å; K361-V364 HydrophobicContact CD-CG2 4.19Å; K361-V364 HydrophobicContact CG-CG2 4.5Å; K361-V364 PolarHBondContact O-N 3.22Å; V364-S368 VanDerWaalsContact O-CB 3.29Å; V364-S368 WeakPolarHBondContact O-CB 3.34Å; V364-S368 PolarHBondContact O-N 3.21Å; V364-S368 PolarHBondContact O-OG 3.05Å; V364-V420 HydrophobicContact CG2-CG1 3.96Å; V364-V422 HydrophobicContact CG1-CG1 4.29Å
365	F	85.9	Confident	77.3	Confident	40 Å²	40	57.4 Å²	57.4	18%	0.175	31%	0.309	C	S	.	.	H	α-helix	trans	-69.1	-44.5	179.8	175	-102.1	0	0	0	111.9	L317 I320 S321 S324 V326 F367 S368 F369	L317-F365 WeakPolarHBondContact O-CE2 3.31Å; I320-F365 HydrophobicContact CG2-CD2 4.36Å; S321-F365 WeakPolarHBondContact OG-CE2 3.22Å; S321-F365 WeakPolarHBondContact OG-CZ 3.33Å; S324-F365 VanDerWaalsContact O-CB 3.27Å; S324-F365 WeakPolarHBondContact O-CB 3.17Å; V326-F365 HydrophobicContact CG2-CB 4.1Å; V326-F365 HydrophobicContact CG2-CD1 3.53Å; V326-F365 HydrophobicContact CG2-CE1 4.45Å; V326-F365 HydrophobicContact CG2-CG 4.24Å; F365-F367 VanDerWaalsContact C-N 3.3Å; F365-F367 PolarHBondContact O-N 2.91Å; F365-S368 WeakPolarHBondContact O-CB 3.21Å; F365-S368 PolarHBondContact O-N 3.08Å; F365-S368 VanDerWaalsContact O-N 3.14Å; F365-F369 PolarHBondContact O-N 3.37Å
366	M	88	Confident	79.1	Confident	100 Å²	100	56.3 Å²	56.3	49%	0.493	29%	0.289	S	S	.	.	H	α-helix	trans	-59	-44.6	178.2	-175.3	179.1	67.7	0	0	111	F369 I370	M366-F369 WeakPolarHBondContact O-CB 3.45Å; M366-F369 PolarHBondContact O-N 3.34Å; M366-I370 HydrophobicContact CG-CD1 4.35Å; M366-I370 WeakPolarHBondContact O-CG1 3.45Å; M366-I370 PolarHBondContact O-N 2.92Å
367	F	90.8	Very high	81.1	Confident	19 Å²	19	55.6 Å²	55.6	8%	0.083	28%	0.28	C	S	.	.	H	α-helix	trans	-68.8	-36	176.8	-168.7	-120.2	0	0	0	112.3	D363 F365 F369 I370 L371 K415 V418 V420 V422	D363-F367 WeakPolarHBondContact O-CB 3.4Å; D363-F367 PolarHBondContact O-N 3.22Å; F365-F367 VanDerWaalsContact C-N 3.3Å; F365-F367 PolarHBondContact O-N 2.91Å; F367-F369 VanDerWaalsContact C-N 3.33Å; F367-F369 PolarHBondContact O-N 2.82Å; F367-I370 PolarHBondContact O-N 2.93Å; F367-L371 HydrophobicContact CD1-CD1 3.9Å; F367-L371 HydrophobicContact CD1-CG 4.28Å; F367-L371 HydrophobicContact CE1-CD1 3.7Å; F367-L371 HydrophobicContact CE1-CD2 4.22Å; F367-L371 HydrophobicContact CE1-CG 4.03Å; F367-L371 HydrophobicContact CE2-CD2 4.49Å; F367-L371 HydrophobicContact CE2-CG 4.5Å; F367-L371 HydrophobicContact CZ-CD1 4.28Å; F367-L371 HydrophobicContact CZ-CD2 3.97Å; F367-L371 HydrophobicContact CZ-CG 4.13Å; F367-L371 WeakPolarHBondContact O-CG 3.41Å; F367-L371 PolarHBondContact O-N 3.42Å; F367-K415 HydrophobicContact CE1-CB 4.06Å; F367-K415 HydrophobicContact CE1-CG 4.22Å; F367-K415 HydrophobicContact CZ-CB 4.43Å; F367-V418 HydrophobicContact CD2-CG1 4.31Å; F367-V418 HydrophobicContact CE1-CB 4.27Å; F367-V418 HydrophobicContact CE1-CG1 4.49Å; F367-V418 HydrophobicContact CE2-CB 3.96Å; F367-V418 HydrophobicContact CE2-CG1 3.97Å; F367-V418 HydrophobicContact CE2-CG2 3.78Å; F367-V418 HydrophobicContact CZ-CB 3.68Å; F367-V418 HydrophobicContact CZ-CG1 4.07Å; F367-V418 HydrophobicContact CZ-CG2 3.81Å; F367-V420 HydrophobicContact CB-CG1 4.33Å; F367-V420 HydrophobicContact CD1-CB 3.81Å; F367-V420 HydrophobicContact CD1-CG1 4.14Å; F367-V420 HydrophobicContact CD1-CG2 4.42Å; F367-V420 HydrophobicContact CE1-CB 4.32Å; F367-V420 HydrophobicContact CG-CB 4.39Å; F367-V422 HydrophobicContact CB-CG1 4.48Å; F367-V422 HydrophobicContact CD1-CG1 3.74Å
368	S	90.9	Very high	83.2	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-59.5	-43.1	171.7	-62.8	0	0	0	0	111.9	V364 F365 L371 F372 V422 P582	V364-S368 VanDerWaalsContact O-CB 3.29Å; V364-S368 WeakPolarHBondContact O-CB 3.34Å; V364-S368 PolarHBondContact O-N 3.21Å; V364-S368 PolarHBondContact O-OG 3.05Å; F365-S368 WeakPolarHBondContact O-CB 3.21Å; F365-S368 PolarHBondContact O-N 3.08Å; F365-S368 VanDerWaalsContact O-N 3.14Å; S368-L371 PolarHBondContact O-N 3.43Å; S368-F372 WeakPolarHBondContact O-CB 3.26Å; S368-F372 PolarHBondContact O-N 3.38Å; S368-V422 WeakPolarHBondContact OG-CG1 3.31Å; S368-P582 VanDerWaalsContact CB-CG 3.45Å; S368-P582 VanDerWaalsContact O-CB 3.28Å; S368-P582 WeakPolarHBondContact O-CB 3.17Å; S368-P582 WeakPolarHBondContact OG-CG 3.23Å
369	F	92.3	Very high	85.2	Confident	100 Å²	100	50.4 Å²	50.4	44%	0.439	25%	0.253	S	S	.	.	H	α-helix	trans	-63.4	-40.7	175.1	-177.5	-94.9	0	0	0	112	L317 F365 M366 F367 F372 C373	L317-F369 HydrophobicContact CD2-CD2 3.99Å; F365-F369 PolarHBondContact O-N 3.37Å; M366-F369 WeakPolarHBondContact O-CB 3.45Å; M366-F369 PolarHBondContact O-N 3.34Å; F367-F369 VanDerWaalsContact C-N 3.33Å; F367-F369 PolarHBondContact O-N 2.82Å; F369-F372 PolarHBondContact O-N 2.93Å; F369-C373 VanDerWaalsContact CZ-SG 3.52Å; F369-C373 WeakPolarHBondContact O-CB 3.45Å; F369-C373 PolarHBondContact O-N 3.35Å
370	I	93.7	Very high	87.1	Confident	87 Å²	87	46 Å²	46	45%	0.446	23%	0.228	S	C	.	.	H	α-helix	trans	-62.9	-45.4	174.8	-68	166	0	0	0	110.9	M366 F367 G374	M366-I370 HydrophobicContact CG-CD1 4.35Å; M366-I370 WeakPolarHBondContact O-CG1 3.45Å; M366-I370 PolarHBondContact O-N 2.92Å; F367-I370 PolarHBondContact O-N 2.93Å; I370-G374 WeakPolarHBondContact O-CA 3.49Å; I370-G374 PolarHBondContact O-N 3.47Å
371	L	94.1	Very high	88.9	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-62.9	-42.1	177.5	-71	174.7	0	0	0	111.7	F367 S368 T375 M411 K415 V422 P580 P582 V583	F367-L371 HydrophobicContact CD1-CD1 3.9Å; F367-L371 HydrophobicContact CD1-CG 4.28Å; F367-L371 HydrophobicContact CE1-CD1 3.7Å; F367-L371 HydrophobicContact CE1-CD2 4.22Å; F367-L371 HydrophobicContact CE1-CG 4.03Å; F367-L371 HydrophobicContact CE2-CD2 4.49Å; F367-L371 HydrophobicContact CE2-CG 4.5Å; F367-L371 HydrophobicContact CZ-CD1 4.28Å; F367-L371 HydrophobicContact CZ-CD2 3.97Å; F367-L371 HydrophobicContact CZ-CG 4.13Å; F367-L371 WeakPolarHBondContact O-CG 3.41Å; F367-L371 PolarHBondContact O-N 3.42Å; S368-L371 PolarHBondContact O-N 3.43Å; L371-T375 WeakPolarHBondContact O-CB 3.23Å; L371-T375 PolarHBondContact O-N 3.25Å; L371-T375 PolarHBondContact O-OG1 2.74Å; L371-M411 HydrophobicContact CD2-CB 4.08Å; L371-M411 VanDerWaalsContact CD2-O 3.29Å; L371-M411 WeakPolarHBondContact CD2-O 3.47Å; L371-M411 HydrophobicContact CD2-SD 4.46Å; L371-K415 HydrophobicContact CD1-CB 4.27Å; L371-K415 HydrophobicContact CD2-CB 4.41Å; L371-V422 HydrophobicContact CD1-CG1 4.32Å; L371-V422 HydrophobicContact CD1-CG2 3.99Å; L371-P580 HydrophobicContact CD1-CB 3.98Å; L371-P580 HydrophobicContact CD1-CG 4.04Å; L371-P582 HydrophobicContact CB-CB 4.15Å; L371-V583 HydrophobicContact CB-CG2 4.01Å; L371-V583 HydrophobicContact CD1-CG2 4.45Å; L371-V583 HydrophobicContact CD2-CG2 4.21Å; L371-V583 HydrophobicContact CG-CG2 4.46Å
372	F	94.2	Very high	90.5	Very high	11 Å²	11	44.1 Å²	44.1	5%	0.048	23%	0.229	C	C	.	.	H	α-helix	trans	-60.4	-57.7	176.6	173.9	-97.4	0	0	0	111.8	L317 S368 F369 G374 T375 F376 P582 L585 G586 L589	L317-F372 HydrophobicContact CD1-CB 4.13Å; L317-F372 HydrophobicContact CD1-CG 4.32Å; L317-F372 HydrophobicContact CD2-CB 4.16Å; L317-F372 HydrophobicContact CD2-CD1 3.5Å; L317-F372 VanDerWaalsContact CD2-CD1 3.5Å; L317-F372 HydrophobicContact CD2-CD2 4.07Å; L317-F372 HydrophobicContact CD2-CE1 3.77Å; L317-F372 HydrophobicContact CD2-CE2 4.3Å; L317-F372 HydrophobicContact CD2-CG 3.65Å; L317-F372 HydrophobicContact CD2-CZ 4.16Å; S368-F372 WeakPolarHBondContact O-CB 3.26Å; S368-F372 PolarHBondContact O-N 3.38Å; F369-F372 PolarHBondContact O-N 2.93Å; F372-G374 PolarHBondContact O-N 3.07Å; F372-T375 PolarHBondContact O-N 3.01Å; F372-F376 PolarHBondContact O-N 3.08Å; F372-P582 WeakPolarHBondContact CA-O 3.24Å; F372-P582 HydrophobicContact CB-CB 4.48Å; F372-L585 VanDerWaalsContact CD2-C 3.43Å; F372-L585 HydrophobicContact CD2-CB 3.56Å; F372-L585 HydrophobicContact CE2-CB 3.75Å; F372-L585 VanDerWaalsContact CE2-O 3.3Å; F372-L585 WeakPolarHBondContact CE2-O 3.16Å; F372-G586 WeakPolarHBondContact O-CA 3.48Å; F372-L589 HydrophobicContact CD1-CD2 4.49Å; F372-L589 HydrophobicContact CE1-CD2 3.51Å; F372-L589 HydrophobicContact CE2-CB 4.04Å; F372-L589 HydrophobicContact CE2-CD2 4.38Å; F372-L589 HydrophobicContact CZ-CB 3.79Å; F372-L589 HydrophobicContact CZ-CD1 4.45Å; F372-L589 HydrophobicContact CZ-CD2 3.45Å; F372-L589 VanDerWaalsContact CZ-CD2 3.45Å; F372-L589 HydrophobicContact CZ-CG 4.07Å
373	C	96	Very high	91.7	Very high	29 Å²	29	43 Å²	43	20%	0.196	22%	0.218	C	C	.	.	H	α-helix	trans	-63.7	-42.7	179.3	-73.6	0	0	0	0	111.6	F369 T375 F376 F377	F369-C373 VanDerWaalsContact CZ-SG 3.52Å; F369-C373 WeakPolarHBondContact O-CB 3.45Å; F369-C373 PolarHBondContact O-N 3.35Å; C373-T375 PolarHBondContact O-N 3.04Å; C373-F376 PolarHBondContact O-N 2.93Å; C373-F377 HydrophobicContact CB-CD2 4.26Å; C373-F377 HydrophobicContact CB-CE2 4.13Å; C373-F377 WeakPolarHBondContact O-CD2 3.31Å; C373-F377 PolarHBondContact O-N 3.46Å
374	G	96.4	Very high	92.3	Very high	19 Å²	19	43.1 Å²	43.1	20%	0.196	22%	0.222	C	C	.	.	H	α-helix	trans	-60.4	-43.6	179.1	0	0	0	0	0	112.1	I370 F372 F376 F377 I378	I370-G374 WeakPolarHBondContact O-CA 3.49Å; I370-G374 PolarHBondContact O-N 3.47Å; F372-G374 PolarHBondContact O-N 3.07Å; G374-F376 PolarHBondContact O-N 3.26Å; G374-F377 PolarHBondContact O-N 3.13Å; G374-I378 WeakPolarHBondContact O-CB 3.42Å; G374-I378 WeakPolarHBondContact O-CD1 3.35Å; G374-I378 WeakPolarHBondContact O-CG1 3.3Å; G374-I378 PolarHBondContact O-N 3.28Å
375	T	94.8	Very high	92.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.7	-45.1	176.9	-51.5	0	0	0	0	111.4	L371 F372 C373 A379 A407 M411 V583 V587	L371-T375 WeakPolarHBondContact O-CB 3.23Å; L371-T375 PolarHBondContact O-N 3.25Å; L371-T375 PolarHBondContact O-OG1 2.74Å; F372-T375 PolarHBondContact O-N 3.01Å; C373-T375 PolarHBondContact O-N 3.04Å; T375-A379 WeakPolarHBondContact O-CB 3.44Å; T375-A379 PolarHBondContact O-N 3.42Å; T375-A407 HydrophobicContact CG2-CB 3.9Å; T375-M411 WeakPolarHBondContact OG1-CG 3.45Å; T375-V583 HydrophobicContact CG2-CG1 3.94Å; T375-V583 WeakPolarHBondContact CG2-O 3.47Å; T375-V587 HydrophobicContact CG2-CG2 3.52Å
376	F	94.7	Very high	92.3	Very high	30 Å²	30	45.3 Å²	45.3	13%	0.132	23%	0.231	C	C	.	.	H	α-helix	trans	-58.9	-53.9	176.5	167.3	-102.3	0	0	0	112.1	F372 C373 G374 I378 A379 E380 L589 I593	F372-F376 PolarHBondContact O-N 3.08Å; C373-F376 PolarHBondContact O-N 2.93Å; G374-F376 PolarHBondContact O-N 3.26Å; F376-I378 VanDerWaalsContact C-N 3.35Å; F376-I378 PolarHBondContact O-N 2.83Å; F376-A379 PolarHBondContact O-N 2.96Å; F376-E380 WeakPolarHBondContact O-CB 3.22Å; F376-E380 PolarHBondContact O-N 3.44Å; F376-L589 HydrophobicContact CB-CD2 4.14Å; F376-L589 HydrophobicContact CD1-CD2 4.44Å; F376-L589 HydrophobicContact CD2-CD2 4Å; F376-L589 HydrophobicContact CD2-CG 4Å; F376-L589 HydrophobicContact CE2-CG 4.49Å; F376-L589 HydrophobicContact CG-CD2 3.92Å; F376-L589 HydrophobicContact CG-CG 4.41Å; F376-I593 HydrophobicContact CD2-CD1 4.28Å; F376-I593 HydrophobicContact CE2-CD1 3.45Å; F376-I593 VanDerWaalsContact CE2-CD1 3.45Å; F376-I593 HydrophobicContact CZ-CD1 3.74Å
377	F	96.4	Very high	91.8	Very high	122 Å²	122	45.9 Å²	45.9	54%	0.535	24%	0.236	S	C	.	.	H	α-helix	trans	-65	-37.3	-176.7	-74.2	-59.9	0	0	0	112.6	C373 G374 T381	C373-F377 HydrophobicContact CB-CD2 4.26Å; C373-F377 HydrophobicContact CB-CE2 4.13Å; C373-F377 WeakPolarHBondContact O-CD2 3.31Å; C373-F377 PolarHBondContact O-N 3.46Å; G374-F377 PolarHBondContact O-N 3.13Å; F377-T381 VanDerWaalsContact O-CB 3.25Å; F377-T381 WeakPolarHBondContact O-CB 3.23Å; F377-T381 PolarHBondContact O-N 2.91Å; F377-T381 PolarHBondContact O-OG1 2.96Å
378	I	96.3	Very high	91.4	Very high	40 Å²	40	46.3 Å²	46.3	21%	0.205	24%	0.241	C	C	.	.	H	α-helix	trans	-65.5	-48.4	175.8	-68.2	167.3	0	0	0	110	G374 F376 E380 T381 L382 A407 I410 M411	G374-I378 WeakPolarHBondContact O-CB 3.42Å; G374-I378 WeakPolarHBondContact O-CD1 3.35Å; G374-I378 WeakPolarHBondContact O-CG1 3.3Å; G374-I378 PolarHBondContact O-N 3.28Å; F376-I378 VanDerWaalsContact C-N 3.35Å; F376-I378 PolarHBondContact O-N 2.83Å; I378-E380 VanDerWaalsContact C-N 3.31Å; I378-E380 PolarHBondContact O-N 3.39Å; I378-T381 PolarHBondContact O-N 3.49Å; I378-L382 HydrophobicContact CG2-CD1 3.78Å; I378-L382 HydrophobicContact CG2-CG 4.22Å; I378-L382 WeakPolarHBondContact O-CB 3.34Å; I378-L382 VanDerWaalsContact O-CG 3.23Å; I378-L382 WeakPolarHBondContact O-CG 3.23Å; I378-L382 PolarHBondContact O-N 2.96Å; I378-A407 HydrophobicContact CB-CB 4.12Å; I378-A407 HydrophobicContact CG2-CB 3.81Å; I378-I410 HydrophobicContact CD1-CB 4.48Å; I378-I410 HydrophobicContact CD1-CG2 4.14Å; I378-I410 HydrophobicContact CG2-CD1 4.4Å; I378-M411 HydrophobicContact CD1-CE 3.41Å; I378-M411 VanDerWaalsContact CD1-CE 3.41Å; I378-M411 HydrophobicContact CD1-CG 4.13Å; I378-M411 HydrophobicContact CD1-SD 4.01Å
379	A	93.1	Very high	90.9	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-59.8	-41.8	179.8	0	0	0	0	0	112.2	T375 F376 K383 N403 A407 Y590	T375-A379 WeakPolarHBondContact O-CB 3.44Å; T375-A379 PolarHBondContact O-N 3.42Å; F376-A379 PolarHBondContact O-N 2.96Å; A379-K383 PolarHBondContact O-N 3.29Å; A379-N403 PolarHBondContact O-ND2 3.04Å; A379-N403 VanDerWaalsContact O-ND2 3.14Å; A379-A407 HydrophobicContact CB-CB 4.09Å; A379-Y590 HydrophobicContact CB-CD1 4.15Å; A379-Y590 HydrophobicContact CB-CD2 3.89Å; A379-Y590 HydrophobicContact CB-CE1 4.44Å; A379-Y590 HydrophobicContact CB-CE2 4.19Å; A379-Y590 HydrophobicContact CB-CG 3.87Å
380	E	92.6	Very high	90.5	Very high	63 Å²	63	60.5 Å²	60.5	29%	0.294	30%	0.296	S	S	.	.	H	α-helix	trans	-68.5	-46.6	177.7	-175.5	59.4	-163.2	0	0	111.9	F376 I378 L382 K383 V384 Y590	F376-E380 WeakPolarHBondContact O-CB 3.22Å; F376-E380 PolarHBondContact O-N 3.44Å; I378-E380 VanDerWaalsContact C-N 3.31Å; I378-E380 PolarHBondContact O-N 3.39Å; E380-L382 VanDerWaalsContact C-N 3.32Å; E380-L382 PolarHBondContact O-N 3.49Å; E380-K383 WeakPolarHBondContact O-CB 3.41Å; E380-K383 PolarHBondContact O-N 3.06Å; E380-V384 WeakPolarHBondContact O-CG2 3.44Å; E380-V384 PolarHBondContact O-N 3.41Å; E380-Y590 HydrophobicContact CB-CD2 4.44Å; E380-Y590 WeakPolarHBondContact OE2-CE2 3.26Å
381	T	93.2	Very high	90.1	Very high	87 Å²	87	63.5 Å²	63.5	53%	0.534	31%	0.307	S	S	.	.	H	α-helix	trans	-60.7	-43.1	179.1	-57.4	0	0	0	0	111.3	F377 I378 K383 V384 L385	F377-T381 VanDerWaalsContact O-CB 3.25Å; F377-T381 WeakPolarHBondContact O-CB 3.23Å; F377-T381 PolarHBondContact O-N 2.91Å; F377-T381 PolarHBondContact O-OG1 2.96Å; I378-T381 PolarHBondContact O-N 3.49Å; T381-K383 VanDerWaalsContact C-N 3.32Å; T381-K383 PolarHBondContact O-N 3.3Å; T381-V384 PolarHBondContact O-N 2.82Å; T381-L385 WeakPolarHBondContact O-CB 3.49Å; T381-L385 PolarHBondContact O-N 3.46Å
382	L	92.7	Very high	89.6	Confident	28 Å²	28	67.9 Å²	67.9	15%	0.147	33%	0.333	C	S	.	.	H	α-helix	trans	-67.4	-31.3	176.4	-65.1	179.6	0	0	0	112.3	I378 E380 L385 V399 N403 I406	I378-L382 HydrophobicContact CG2-CD1 3.78Å; I378-L382 HydrophobicContact CG2-CG 4.22Å; I378-L382 WeakPolarHBondContact O-CB 3.34Å; I378-L382 VanDerWaalsContact O-CG 3.23Å; I378-L382 WeakPolarHBondContact O-CG 3.23Å; I378-L382 PolarHBondContact O-N 2.96Å; E380-L382 VanDerWaalsContact C-N 3.32Å; E380-L382 PolarHBondContact O-N 3.49Å; L382-L385 WeakPolarHBondContact O-CB 3.42Å; L382-V399 HydrophobicContact CB-CG1 4.5Å; L382-V399 HydrophobicContact CD2-CG1 3.68Å; L382-N403 HydrophobicContact CB-CB 3.62Å; L382-N403 HydrophobicContact CD1-CB 4.42Å; L382-I406 HydrophobicContact CD1-CB 3.77Å; L382-I406 HydrophobicContact CD1-CD1 4.24Å; L382-I406 HydrophobicContact CD1-CG2 3.55Å
383	K	88.6	Confident	89	Confident	36 Å²	36	70.9 Å²	70.9	16%	0.157	35%	0.353	C	S	.	.	H	α-helix	trans	-64.9	-49.5	171.2	-164.5	-172.4	-163.6	163	0	110.7	A379 E380 T381 L385 R386 D524 Y590 V594	A379-K383 PolarHBondContact O-N 3.29Å; E380-K383 WeakPolarHBondContact O-CB 3.41Å; E380-K383 PolarHBondContact O-N 3.06Å; T381-K383 VanDerWaalsContact C-N 3.32Å; T381-K383 PolarHBondContact O-N 3.3Å; K383-L385 PolarHBondContact O-N 2.96Å; K383-R386 WeakPolarHBondContact O-CB 3.33Å; K383-R386 PolarHBondContact O-N 2.76Å; K383-R386 VanDerWaalsContact O-N 3.15Å; K383-D524 IonicContact NZ-OD2 3.3Å; K383-D524 PolarHBondContact NZ-OD2 2.96Å; K383-Y590 HydrophobicContact CD-CE2 4.44Å; K383-Y590 WeakPolarHBondContact CD-OH 3.3Å; K383-V594 HydrophobicContact CD-CG2 4.41Å
384	V	88.7	Confident	88.2	Confident	89 Å²	89	78 Å²	78	54%	0.539	38%	0.38	S	S	.	.	H	α-helix	trans	-64.5	-31.5	-179.4	174.8	0	0	0	0	111.5	E380 T381 R386 N387	E380-V384 WeakPolarHBondContact O-CG2 3.44Å; E380-V384 PolarHBondContact O-N 3.41Å; T381-V384 PolarHBondContact O-N 2.82Å; V384-R386 PolarHBondContact O-N 3.21Å; V384-N387 PolarHBondContact O-N 2.78Å
385	L	86.9	Confident	87.8	Confident	41 Å²	41	80.1 Å²	80.1	22%	0.215	39%	0.389	C	S	.	.	H	α-helix	trans	-55.4	-25.1	176	-165.2	135.8	0	0	0	112.2	T381 L382 K383 N387 S388 R396 V399	T381-L385 WeakPolarHBondContact O-CB 3.49Å; T381-L385 PolarHBondContact O-N 3.46Å; L382-L385 WeakPolarHBondContact O-CB 3.42Å; K383-L385 PolarHBondContact O-N 2.96Å; L385-N387 PolarHBondContact O-N 3.28Å; L385-S388 VanDerWaalsContact O-CB 3.31Å; L385-S388 WeakPolarHBondContact O-CB 3.19Å; L385-S388 PolarHBondContact O-N 3.5Å; L385-S388 PolarHBondContact O-OG 3.06Å; L385-R396 HydrophobicContact CD2-CG 4.29Å; L385-R396 WeakPolarHBondContact O-CD 3.33Å; L385-R396 WeakPolarHBondContact O-CG 3.37Å; L385-V399 HydrophobicContact CD2-CB 4.47Å; L385-V399 HydrophobicContact CD2-CG1 4.17Å
386	R	83.9	Confident	87.4	Confident	49 Å²	49	82.5 Å²	82.5	19%	0.185	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-31.7	173.2	-165.9	169.2	59.6	-172.8	-3.1	114.5	K383 V384 R396 A400	K383-R386 WeakPolarHBondContact O-CB 3.33Å; K383-R386 PolarHBondContact O-N 2.76Å; K383-R386 VanDerWaalsContact O-N 3.15Å; V384-R386 PolarHBondContact O-N 3.21Å; R386-R396 WeakPolarHBondContact O-CD 3.2Å; R386-R396 PolarHBondContact O-NE 3.01Å; R386-R396 PolarHBondContact O-NH1 3.22Å; R386-A400 HydrophobicContact CB-CB 3.64Å; R386-A400 HydrophobicContact CG-CB 4.03Å
387	N	78.3	Confident	86.8	Confident	112 Å²	112	81.9 Å²	81.9	60%	0.599	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	2.4	-179.8	-65.6	-20	0	0	0	112.3	V384 L385	V384-N387 PolarHBondContact O-N 2.78Å; L385-N387 PolarHBondContact O-N 3.28Å
388	S	81.8	Confident	86.3	Confident	28 Å²	28	78.5 Å²	78.5	20%	0.196	39%	0.386	C	S	.	.	S	Bend	trans	-71.1	160.8	178.2	79.6	0	0	0	0	111.7	L385 F390 R396	L385-S388 VanDerWaalsContact O-CB 3.31Å; L385-S388 WeakPolarHBondContact O-CB 3.19Å; L385-S388 PolarHBondContact O-N 3.5Å; L385-S388 PolarHBondContact O-OG 3.06Å; S388-F390 VanDerWaalsContact C-N 3.28Å; S388-F390 PolarHBondContact OG-N 2.92Å; S388-R396 PolarHBondContact O-NH1 3.34Å
389	R	80.5	Confident	85.9	Confident	248 Å²	248	78.4 Å²	78.4	94%	0.936	39%	0.387	S	S	*	.	S	Bend	trans	-84.2	-3.7	175.9	-60.9	-178.9	-178	177.8	0	112.9
390	F	83.1	Confident	85.6	Confident	150 Å²	150	78.8 Å²	78.8	66%	0.658	39%	0.39	S	S	*	.	S	Bend	trans	-87.9	143.5	-178.6	-58.9	-73	0	0	0	110.1	S388	S388-F390 VanDerWaalsContact C-N 3.28Å; S388-F390 PolarHBondContact OG-N 2.92Å
391	F	85.1	Confident	85.3	Confident	151 Å²	151	77.1 Å²	77.1	66%	0.662	38%	0.383	S	S	*	.	S	Bend	trans	66	169.5	-179.7	-52.2	-76.4	0	0	0	116.4	V395	F391-V395 HydrophobicContact CB-CB 4.36Å; F391-V395 HydrophobicContact CB-CG1 4.28Å; F391-V395 HydrophobicContact CG-CG1 4.48Å
392	T	84.5	Confident	85.2	Confident	93 Å²	93	75.1 Å²	75.1	57%	0.571	37%	0.367	S	S	*	.			trans	-75.1	153.8	176	64.6	0	0	0	0	111.1	K394 V395 R396	T392-K394 PolarHBondContact O-N 3.35Å; T392-K394 VanDerWaalsContact O-N 3.15Å; T392-V395 PolarHBondContact O-N 3.05Å; T392-V395 WeakPolarHBondContact OG1-CG2 3.42Å; T392-R396 VanDerWaalsContact O-CB 3.29Å; T392-R396 WeakPolarHBondContact O-CB 3.33Å; T392-R396 PolarHBondContact O-N 3.35Å
393	T	80.7	Confident	85.1	Confident	74 Å²	74	74.5 Å²	74.5	45%	0.454	36%	0.364	S	S	.	.	H	α-helix	trans	-53.7	-37.8	-178.6	-50.3	0	0	0	0	113.1	N397	T393-N397 WeakPolarHBondContact O-CB 3.35Å; T393-N397 PolarHBondContact O-N 2.94Å; T393-N397 PolarHBondContact O-ND2 3.21Å
394	K	80.5	Confident	85.1	Confident	177 Å²	177	73.1 Å²	73.1	77%	0.77	36%	0.359	S	S	*	.	H	α-helix	trans	-63.2	-54.8	178.4	-70.6	-177.3	179.8	178.1	0	111.5	T392 R396 N397 T398	T392-K394 PolarHBondContact O-N 3.35Å; T392-K394 VanDerWaalsContact O-N 3.15Å; K394-R396 VanDerWaalsContact C-N 3.32Å; K394-R396 PolarHBondContact O-N 3.27Å; K394-N397 PolarHBondContact O-N 3.42Å; K394-T398 WeakPolarHBondContact O-CG2 3.41Å; K394-T398 PolarHBondContact O-N 2.94Å; K394-T398 PolarHBondContact O-OG1 2.88Å; K394-T398 VanDerWaalsContact O-OG1 3.14Å
395	V	86.9	Confident	85.1	Confident	64 Å²	64	70.2 Å²	70.2	39%	0.388	34%	0.341	S	S	.	.	H	α-helix	trans	-60.5	-46	-178.9	175.6	0	0	0	0	110.3	F391 T392 N397 T398 V399	F391-V395 HydrophobicContact CB-CB 4.36Å; F391-V395 HydrophobicContact CB-CG1 4.28Å; F391-V395 HydrophobicContact CG-CG1 4.48Å; T392-V395 PolarHBondContact O-N 3.05Å; T392-V395 WeakPolarHBondContact OG1-CG2 3.42Å; V395-N397 PolarHBondContact O-N 3.3Å; V395-T398 WeakPolarHBondContact CA-OG1 3.43Å; V395-T398 PolarHBondContact O-N 2.88Å; V395-T398 PolarHBondContact O-OG1 3.14Å; V395-V399 HydrophobicContact CG1-CG2 4.23Å; V395-V399 WeakPolarHBondContact O-CB 3.36Å; V395-V399 VanDerWaalsContact O-CG2 3.31Å; V395-V399 WeakPolarHBondContact O-CG2 3.31Å; V395-V399 PolarHBondContact O-N 3.48Å
396	R	86.3	Confident	85.3	Confident	51 Å²	51	70.8 Å²	70.8	19%	0.192	34%	0.344	C	S	.	.	H	α-helix	trans	-58.2	-46.2	179.8	-179.1	178.9	75.9	169.6	8.1	112.8	L385 R386 S388 T392 K394 A400	L385-R396 HydrophobicContact CD2-CG 4.29Å; L385-R396 WeakPolarHBondContact O-CD 3.33Å; L385-R396 WeakPolarHBondContact O-CG 3.37Å; R386-R396 WeakPolarHBondContact O-CD 3.2Å; R386-R396 PolarHBondContact O-NE 3.01Å; R386-R396 PolarHBondContact O-NH1 3.22Å; S388-R396 PolarHBondContact O-NH1 3.34Å; T392-R396 VanDerWaalsContact O-CB 3.29Å; T392-R396 WeakPolarHBondContact O-CB 3.33Å; T392-R396 PolarHBondContact O-N 3.35Å; K394-R396 VanDerWaalsContact C-N 3.32Å; K394-R396 PolarHBondContact O-N 3.27Å; R396-A400 WeakPolarHBondContact O-CB 3.38Å; R396-A400 PolarHBondContact O-N 3.32Å; R396-A400 VanDerWaalsContact O-N 3.11Å
397	N	82.8	Confident	85.8	Confident	16 Å²	16	68.4 Å²	68.4	9%	0.086	34%	0.335	C	S	.	.	H	α-helix	trans	-67	-43.4	177	-69.8	-18.3	0	0	0	111.2	R200 T393 K394 V395 V399 A400 D401	R200-N397 PolarHBondContact NH1-ND2 3.23Å; T393-N397 WeakPolarHBondContact O-CB 3.35Å; T393-N397 PolarHBondContact O-N 2.94Å; T393-N397 PolarHBondContact O-ND2 3.21Å; K394-N397 PolarHBondContact O-N 3.42Å; V395-N397 PolarHBondContact O-N 3.3Å; N397-V399 PolarHBondContact O-N 3.01Å; N397-A400 PolarHBondContact O-N 3.14Å; N397-D401 WeakPolarHBondContact O-CB 3.48Å; N397-D401 PolarHBondContact O-N 3.36Å
398	T	85	Confident	86.3	Confident	51 Å²	51	63.4 Å²	63.4	31%	0.313	31%	0.308	S	S	.	.	H	α-helix	trans	-62.5	-40.5	178.3	49.7	0	0	0	0	113	T202 K394 V395 D401 F402	T202-T398 HydrophobicContact CG2-CG2 4.32Å; K394-T398 WeakPolarHBondContact O-CG2 3.41Å; K394-T398 PolarHBondContact O-N 2.94Å; K394-T398 PolarHBondContact O-OG1 2.88Å; K394-T398 VanDerWaalsContact O-OG1 3.14Å; V395-T398 WeakPolarHBondContact CA-OG1 3.43Å; V395-T398 PolarHBondContact O-N 2.88Å; V395-T398 PolarHBondContact O-OG1 3.14Å; T398-D401 PolarHBondContact O-N 2.9Å; T398-F402 WeakPolarHBondContact O-CD2 3.44Å; T398-F402 PolarHBondContact O-N 3.32Å; T398-F402 VanDerWaalsContact O-N 3.14Å
399	V	89.2	Confident	86.7	Confident	38 Å²	38	66.1 Å²	66.1	23%	0.23	32%	0.323	C	S	.	.	H	α-helix	trans	-66.7	-40.2	178.1	170	0	0	0	0	110.9	L382 L385 V395 N397 N403 I406	L382-V399 HydrophobicContact CB-CG1 4.5Å; L382-V399 HydrophobicContact CD2-CG1 3.68Å; L385-V399 HydrophobicContact CD2-CB 4.47Å; L385-V399 HydrophobicContact CD2-CG1 4.17Å; V395-V399 HydrophobicContact CG1-CG2 4.23Å; V395-V399 WeakPolarHBondContact O-CB 3.36Å; V395-V399 VanDerWaalsContact O-CG2 3.31Å; V395-V399 WeakPolarHBondContact O-CG2 3.31Å; V395-V399 PolarHBondContact O-N 3.48Å; N397-V399 PolarHBondContact O-N 3.01Å; V399-N403 PolarHBondContact O-N 3.32Å; V399-I406 HydrophobicContact CG1-CD1 4.44Å
400	A	86.4	Confident	87.4	Confident	8 Å²	8	58 Å²	58	7%	0.066	30%	0.298	C	S	.	.	H	α-helix	trans	-68.4	-38.5	176.7	0	0	0	0	0	112.7	R386 R396 N397 F402 N403	R386-A400 HydrophobicContact CB-CB 3.64Å; R386-A400 HydrophobicContact CG-CB 4.03Å; R396-A400 WeakPolarHBondContact O-CB 3.38Å; R396-A400 PolarHBondContact O-N 3.32Å; R396-A400 VanDerWaalsContact O-N 3.11Å; N397-A400 PolarHBondContact O-N 3.14Å; A400-F402 VanDerWaalsContact C-N 3.33Å; A400-F402 PolarHBondContact O-N 2.91Å; A400-N403 VanDerWaalsContact O-CB 3.31Å; A400-N403 WeakPolarHBondContact O-CB 3.33Å; A400-N403 PolarHBondContact O-N 3.24Å; A400-N403 PolarHBondContact O-OD1 3.29Å
401	D	86.1	Confident	87.9	Confident	29 Å²	29	52 Å²	52	16%	0.155	27%	0.272	C	S	.	.	H	α-helix	trans	-64.4	-38.5	177.9	-66.9	-16.7	0	0	0	111.1	A206 N397 T398	A206-D401 HydrophobicContact CB-CB 4.15Å; A206-D401 WeakPolarHBondContact CB-O 3.4Å; N397-D401 WeakPolarHBondContact O-CB 3.48Å; N397-D401 PolarHBondContact O-N 3.36Å; T398-D401 PolarHBondContact O-N 2.9Å
402	F	90.7	Very high	88.2	Confident	45 Å²	45	45.4 Å²	45.4	20%	0.197	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	13.2	179.3	-78.7	-87.5	0	0	0	114.2	V205 A206 I209 T398 A400 V404 T405 I406	V205-F402 HydrophobicContact CB-CZ 4.42Å; V205-F402 HydrophobicContact CG1-CE1 4.5Å; V205-F402 HydrophobicContact CG1-CZ 4.16Å; A206-F402 HydrophobicContact CB-CD1 4.04Å; A206-F402 HydrophobicContact CB-CD2 4Å; A206-F402 HydrophobicContact CB-CE1 3.97Å; A206-F402 HydrophobicContact CB-CE2 3.93Å; A206-F402 HydrophobicContact CB-CG 4.06Å; A206-F402 HydrophobicContact CB-CZ 3.92Å; I209-F402 HydrophobicContact CD1-CE1 3.92Å; T398-F402 WeakPolarHBondContact O-CD2 3.44Å; T398-F402 PolarHBondContact O-N 3.32Å; T398-F402 VanDerWaalsContact O-N 3.14Å; A400-F402 VanDerWaalsContact C-N 3.33Å; A400-F402 PolarHBondContact O-N 2.91Å; F402-V404 VanDerWaalsContact C-N 3.34Å; F402-V404 PolarHBondContact O-N 3.48Å; F402-T405 HydrophobicContact CD1-CG2 4.42Å; F402-T405 PolarHBondContact O-N 3.07Å; F402-I406 HydrophobicContact CB-CD1 3.93Å; F402-I406 HydrophobicContact CB-CG1 4.17Å; F402-I406 WeakPolarHBondContact O-CG1 3.41Å; F402-I406 PolarHBondContact O-N 3.05Å
403	N	90.4	Very high	88.5	Confident	14 Å²	14	42.9 Å²	42.9	8%	0.075	23%	0.233	C	C	.	.	H	α-helix	trans	-51.7	-46.4	-172.9	64.9	-19	0	0	0	114.1	A379 L382 V399 A400 A407 Y590	A379-N403 PolarHBondContact O-ND2 3.04Å; A379-N403 VanDerWaalsContact O-ND2 3.14Å; L382-N403 HydrophobicContact CB-CB 3.62Å; L382-N403 HydrophobicContact CD1-CB 4.42Å; V399-N403 PolarHBondContact O-N 3.32Å; A400-N403 VanDerWaalsContact O-CB 3.31Å; A400-N403 WeakPolarHBondContact O-CB 3.33Å; A400-N403 PolarHBondContact O-N 3.24Å; A400-N403 PolarHBondContact O-OD1 3.29Å; N403-A407 WeakPolarHBondContact O-CB 3.46Å; N403-A407 PolarHBondContact O-N 2.99Å; N403-Y590 PolarHBondContact ND2-OH 2.94Å
404	V	89.3	Confident	89	Confident	7 Å²	7	40.7 Å²	40.7	4%	0.042	22%	0.222	C	C	.	.	H	α-helix	trans	-66	-42.4	178.5	170.2	0	0	0	0	111.1	F210 F402 A407 I408 V587 Y590	F210-V404 HydrophobicContact CD2-CB 4.38Å; F210-V404 HydrophobicContact CD2-CG1 4.19Å; F210-V404 HydrophobicContact CD2-CG2 4.16Å; F210-V404 HydrophobicContact CE2-CG2 4.47Å; F402-V404 VanDerWaalsContact C-N 3.34Å; F402-V404 PolarHBondContact O-N 3.48Å; V404-A407 PolarHBondContact O-N 3.42Å; V404-I408 HydrophobicContact CG1-CD1 3.86Å; V404-I408 HydrophobicContact CG1-CG1 4.47Å; V404-I408 VanDerWaalsContact O-CG1 3.3Å; V404-I408 WeakPolarHBondContact O-CG1 3.29Å; V404-I408 PolarHBondContact O-N 2.86Å; V404-V587 HydrophobicContact CB-CG1 4.36Å; V404-V587 HydrophobicContact CG1-CB 4.49Å; V404-V587 HydrophobicContact CG1-CG1 3.4Å; V404-V587 HydrophobicContact CG1-CG2 4.16Å; V404-V587 HydrophobicContact CG2-CG1 4.06Å; V404-Y590 HydrophobicContact CG2-CD1 4Å; V404-Y590 HydrophobicContact CG2-CE1 3.72Å
405	T	87.9	Confident	89.4	Confident	28 Å²	28	33.8 Å²	33.8	17%	0.172	19%	0.192	C	C	.	.	H	α-helix	trans	-66.9	-42.3	-178.6	-55.4	0	0	0	0	110.9	I209 F402 I408 T409	I209-T405 HydrophobicContact CG2-CG2 4.1Å; I209-T405 WeakPolarHBondContact CG2-OG1 3.39Å; F402-T405 HydrophobicContact CD1-CG2 4.42Å; F402-T405 PolarHBondContact O-N 3.07Å; T405-I408 PolarHBondContact O-N 3.45Å; T405-T409 WeakPolarHBondContact O-CB 3.29Å; T405-T409 PolarHBondContact O-N 3.3Å; T405-T409 PolarHBondContact O-OG1 3.42Å
406	I	92.3	Very high	89.4	Confident	53 Å²	53	38.6 Å²	38.6	27%	0.272	20%	0.203	S	C	.	.	H	α-helix	trans	-63.9	-44.4	176	-65.6	166.1	0	0	0	109.9	L382 V399 F402 I408 T409 I410	L382-I406 HydrophobicContact CD1-CB 3.77Å; L382-I406 HydrophobicContact CD1-CD1 4.24Å; L382-I406 HydrophobicContact CD1-CG2 3.55Å; V399-I406 HydrophobicContact CG1-CD1 4.44Å; F402-I406 HydrophobicContact CB-CD1 3.93Å; F402-I406 HydrophobicContact CB-CG1 4.17Å; F402-I406 WeakPolarHBondContact O-CG1 3.41Å; F402-I406 PolarHBondContact O-N 3.05Å; I406-I408 PolarHBondContact O-N 2.98Å; I406-T409 PolarHBondContact O-N 2.85Å; I406-I410 HydrophobicContact CG2-CD1 3.54Å; I406-I410 HydrophobicContact CG2-CG1 4.17Å; I406-I410 VanDerWaalsContact O-CG1 3.29Å; I406-I410 WeakPolarHBondContact O-CG1 3.45Å; I406-I410 PolarHBondContact O-N 3.27Å
407	A	93.5	Very high	89.6	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-59.9	-47.2	178.1	0	0	0	0	0	112.3	T375 I378 A379 N403 V404 T409 I410 M411	T375-A407 HydrophobicContact CG2-CB 3.9Å; I378-A407 HydrophobicContact CB-CB 4.12Å; I378-A407 HydrophobicContact CG2-CB 3.81Å; A379-A407 HydrophobicContact CB-CB 4.09Å; N403-A407 WeakPolarHBondContact O-CB 3.46Å; N403-A407 PolarHBondContact O-N 2.99Å; V404-A407 PolarHBondContact O-N 3.42Å; A407-T409 VanDerWaalsContact C-N 3.32Å; A407-T409 PolarHBondContact O-N 3.45Å; A407-I410 PolarHBondContact O-N 3.21Å; A407-M411 WeakPolarHBondContact O-CB 3.22Å; A407-M411 WeakPolarHBondContact O-CG 3.4Å; A407-M411 PolarHBondContact O-N 3.18Å
408	I	90	Very high	89.8	Confident	6 Å²	6	47 Å²	47	3%	0.031	25%	0.248	C	C	.	.	H	α-helix	trans	-59.1	-45.6	175.6	-66.4	166.5	0	0	0	110.4	F213 V404 T405 I406 T412 I579 V583 V587	F213-I408 HydrophobicContact CB-CD1 4.29Å; F213-I408 HydrophobicContact CD1-CD1 4.49Å; F213-I408 HydrophobicContact CD2-CD1 3.87Å; F213-I408 HydrophobicContact CE2-CD1 4.3Å; F213-I408 HydrophobicContact CG-CD1 3.97Å; V404-I408 HydrophobicContact CG1-CD1 3.86Å; V404-I408 HydrophobicContact CG1-CG1 4.47Å; V404-I408 VanDerWaalsContact O-CG1 3.3Å; V404-I408 WeakPolarHBondContact O-CG1 3.29Å; V404-I408 PolarHBondContact O-N 2.86Å; T405-I408 PolarHBondContact O-N 3.45Å; I406-I408 PolarHBondContact O-N 2.98Å; I408-T412 WeakPolarHBondContact O-CB 3.48Å; I408-T412 PolarHBondContact O-N 3.27Å; I408-T412 PolarHBondContact O-OG1 2.95Å; I408-I579 HydrophobicContact CG2-CD1 4.06Å; I408-I579 HydrophobicContact CG2-CG1 4.19Å; I408-I579 HydrophobicContact CG2-CG2 4.24Å; I408-V583 HydrophobicContact CB-CG1 4.23Å; I408-V583 HydrophobicContact CG1-CG1 4.08Å; I408-V583 HydrophobicContact CG2-CG1 4.24Å; I408-V587 HydrophobicContact CD1-CG2 4.09Å; I408-V587 HydrophobicContact CG1-CG2 3.75Å
409	T	89.8	Confident	89.5	Confident	85 Å²	85	47.3 Å²	47.3	52%	0.521	26%	0.261	S	S	.	.	H	α-helix	trans	-63.5	-48	-177.5	-55.2	0	0	0	0	111.6	T405 I406 A407 T412 A413	T405-T409 WeakPolarHBondContact O-CB 3.29Å; T405-T409 PolarHBondContact O-N 3.3Å; T405-T409 PolarHBondContact O-OG1 3.42Å; I406-T409 PolarHBondContact O-N 2.85Å; A407-T409 VanDerWaalsContact C-N 3.32Å; A407-T409 PolarHBondContact O-N 3.45Å; T409-T412 PolarHBondContact O-N 3.36Å; T409-A413 WeakPolarHBondContact O-CB 3.46Å; T409-A413 PolarHBondContact O-N 3.44Å
410	I	94.6	Very high	89.2	Confident	79 Å²	79	46.8 Å²	46.8	41%	0.405	26%	0.257	S	S	.	.	H	α-helix	trans	-65.3	-45	-178.5	-63.5	171.8	0	0	0	110.7	I378 I406 A407 A413 A414	I378-I410 HydrophobicContact CD1-CB 4.48Å; I378-I410 HydrophobicContact CD1-CG2 4.14Å; I378-I410 HydrophobicContact CG2-CD1 4.4Å; I406-I410 HydrophobicContact CG2-CD1 3.54Å; I406-I410 HydrophobicContact CG2-CG1 4.17Å; I406-I410 VanDerWaalsContact O-CG1 3.29Å; I406-I410 WeakPolarHBondContact O-CG1 3.45Å; I406-I410 PolarHBondContact O-N 3.27Å; A407-I410 PolarHBondContact O-N 3.21Å; I410-A413 PolarHBondContact O-N 2.89Å; I410-A414 PolarHBondContact O-N 3.27Å
411	M	93.9	Very high	88.8	Confident	24 Å²	24	51.5 Å²	51.5	12%	0.118	28%	0.282	C	S	.	.	H	α-helix	trans	-73.8	-30.6	-178.1	-64.9	-67.3	95.2	0	0	112.6	L371 T375 I378 A407 A414 K415 V583	L371-M411 HydrophobicContact CD2-CB 4.08Å; L371-M411 VanDerWaalsContact CD2-O 3.29Å; L371-M411 WeakPolarHBondContact CD2-O 3.47Å; L371-M411 HydrophobicContact CD2-SD 4.46Å; T375-M411 WeakPolarHBondContact OG1-CG 3.45Å; I378-M411 HydrophobicContact CD1-CE 3.41Å; I378-M411 VanDerWaalsContact CD1-CE 3.41Å; I378-M411 HydrophobicContact CD1-CG 4.13Å; I378-M411 HydrophobicContact CD1-SD 4.01Å; A407-M411 WeakPolarHBondContact O-CB 3.22Å; A407-M411 WeakPolarHBondContact O-CG 3.4Å; A407-M411 PolarHBondContact O-N 3.18Å; M411-A414 HydrophobicContact CE-CB 4.26Å; M411-A414 PolarHBondContact O-N 3.37Å; M411-K415 PolarHBondContact O-N 2.89Å; M411-V583 HydrophobicContact CB-CG1 4.23Å; M411-V583 HydrophobicContact CB-CG2 3.66Å
412	T	90.8	Very high	88.7	Confident	12 Å²	12	50.5 Å²	50.5	7%	0.074	28%	0.276	C	S	.	.	H	α-helix	trans	-66.9	-40.9	170.2	-57.6	0	0	0	0	111.2	I408 T409 K415 W416 L578 I579	I408-T412 WeakPolarHBondContact O-CB 3.48Å; I408-T412 PolarHBondContact O-N 3.27Å; I408-T412 PolarHBondContact O-OG1 2.95Å; T409-T412 PolarHBondContact O-N 3.36Å; T412-K415 WeakPolarHBondContact O-CB 3.47Å; T412-K415 PolarHBondContact O-N 3.04Å; T412-W416 PolarHBondContact O-N 3.04Å; T412-W416 VanDerWaalsContact O-N 3.11Å; T412-L578 HydrophobicContact CG2-CB 4.25Å; T412-L578 HydrophobicContact CG2-CD2 3.82Å; T412-L578 HydrophobicContact CG2-CG 3.62Å; T412-I579 HydrophobicContact CG2-CG1 4.35Å
413	A	91.4	Very high	88.1	Confident	40 Å²	40	50.6 Å²	50.6	33%	0.331	28%	0.282	S	S	.	.	H	α-helix	trans	-63.5	-42.1	173.3	0	0	0	0	0	111.7	T409 I410 K415 W416 F417	T409-A413 WeakPolarHBondContact O-CB 3.46Å; T409-A413 PolarHBondContact O-N 3.44Å; I410-A413 PolarHBondContact O-N 2.89Å; A413-K415 VanDerWaalsContact C-N 3.3Å; A413-K415 PolarHBondContact O-N 3.4Å; A413-W416 WeakPolarHBondContact O-CB 3.42Å; A413-W416 PolarHBondContact O-N 3.03Å; A413-W416 VanDerWaalsContact O-N 3.09Å; A413-F417 HydrophobicContact CB-CE2 4.44Å; A413-F417 WeakPolarHBondContact O-CD2 3.25Å; A413-F417 PolarHBondContact O-N 3.41Å
414	A	91.8	Very high	87.5	Confident	28 Å²	28	51.7 Å²	51.7	23%	0.231	29%	0.29	C	S	.	.	H	α-helix	trans	-58.5	-42	175.1	0	0	0	0	0	111.8	I410 M411 W416 F417 V418	I410-A414 PolarHBondContact O-N 3.27Å; M411-A414 HydrophobicContact CE-CB 4.26Å; M411-A414 PolarHBondContact O-N 3.37Å; A414-W416 VanDerWaalsContact C-N 3.33Å; A414-W416 PolarHBondContact O-N 2.82Å; A414-F417 PolarHBondContact O-N 3.32Å; A414-V418 VanDerWaalsContact O-CG2 3.3Å; A414-V418 WeakPolarHBondContact O-CG2 3.27Å; A414-V418 PolarHBondContact O-N 2.73Å
415	K	89.5	Confident	86.5	Confident	31 Å²	31	51.7 Å²	51.7	14%	0.135	29%	0.29	C	S	.	.	H	α-helix	trans	-59.2	-42.7	173.2	177.2	-102.3	-170.6	164.3	0	112.8	F367 L371 M411 T412 A413 G419 V422 C424 L578 P580	F367-K415 HydrophobicContact CE1-CB 4.06Å; F367-K415 HydrophobicContact CE1-CG 4.22Å; F367-K415 HydrophobicContact CZ-CB 4.43Å; L371-K415 HydrophobicContact CD1-CB 4.27Å; L371-K415 HydrophobicContact CD2-CB 4.41Å; M411-K415 PolarHBondContact O-N 2.89Å; T412-K415 WeakPolarHBondContact O-CB 3.47Å; T412-K415 PolarHBondContact O-N 3.04Å; A413-K415 VanDerWaalsContact C-N 3.3Å; A413-K415 PolarHBondContact O-N 3.4Å; K415-G419 PolarHBondContact O-N 3.17Å; K415-V422 HydrophobicContact CD-CG2 4.29Å; K415-V422 HydrophobicContact CG-CG2 3.51Å; K415-C424 PolarHBondContact NZ-SG 3.43Å; K415-L578 PolarHBondContact NZ-O 3.44Å; K415-P580 HydrophobicContact CB-CG 3.7Å; K415-P580 HydrophobicContact CD-CG 3.87Å; K415-P580 HydrophobicContact CG-CG 3.59Å
416	W	87	Confident	85.2	Confident	165 Å²	165	58.5 Å²	58.5	63%	0.625	32%	0.32	S	S	*	.	H	α-helix	trans	-64.8	-42.1	177.2	-177.2	77.4	0	0	0	112.6	T412 A413 A414	T412-W416 PolarHBondContact O-N 3.04Å; T412-W416 VanDerWaalsContact O-N 3.11Å; A413-W416 WeakPolarHBondContact O-CB 3.42Å; A413-W416 PolarHBondContact O-N 3.03Å; A413-W416 VanDerWaalsContact O-N 3.09Å; A414-W416 VanDerWaalsContact C-N 3.33Å; A414-W416 PolarHBondContact O-N 2.82Å
417	F	89.5	Confident	83.8	Confident	161 Å²	161	58.6 Å²	58.6	71%	0.706	32%	0.322	S	S	*	.	H	α-helix	trans	-67.6	-38.5	178.1	-77.9	-66.1	0	0	0	113.7	A413 A414	A413-F417 HydrophobicContact CB-CE2 4.44Å; A413-F417 WeakPolarHBondContact O-CD2 3.25Å; A413-F417 PolarHBondContact O-N 3.41Å; A414-F417 PolarHBondContact O-N 3.32Å
418	V	87.1	Confident	82.1	Confident	84 Å²	84	62.5 Å²	62.5	51%	0.509	35%	0.348	S	S	.	.	H	α-helix	trans	-80	-27.3	-178.8	-177.6	0	0	0	0	111.4	F367 A414 V420	F367-V418 HydrophobicContact CD2-CG1 4.31Å; F367-V418 HydrophobicContact CE1-CB 4.27Å; F367-V418 HydrophobicContact CE1-CG1 4.49Å; F367-V418 HydrophobicContact CE2-CB 3.96Å; F367-V418 HydrophobicContact CE2-CG1 3.97Å; F367-V418 HydrophobicContact CE2-CG2 3.78Å; F367-V418 HydrophobicContact CZ-CB 3.68Å; F367-V418 HydrophobicContact CZ-CG1 4.07Å; F367-V418 HydrophobicContact CZ-CG2 3.81Å; A414-V418 VanDerWaalsContact O-CG2 3.3Å; A414-V418 WeakPolarHBondContact O-CG2 3.27Å; A414-V418 PolarHBondContact O-N 2.73Å; V418-V420 VanDerWaalsContact C-N 3.29Å; V418-V420 HydrophobicContact CG1-CG2 3.78Å; V418-V420 PolarHBondContact O-N 3.32Å
419	G	79.3	Confident	80.5	Confident	56 Å²	56	66.5 Å²	66.5	58%	0.577	38%	0.377	S	S	*	.			trans	71.1	18.5	172.6	0	0	0	0	0	115	K415	K415-G419 PolarHBondContact O-N 3.17Å
420	V	81.5	Confident	79	Confident	27 Å²	27	66.8 Å²	66.8	16%	0.164	38%	0.378	C	S	.	.			trans	-82.1	132.3	175.6	174.3	0	0	0	0	109.6	V364 F367 V418 V422	V364-V420 HydrophobicContact CG2-CG1 3.96Å; F367-V420 HydrophobicContact CB-CG1 4.33Å; F367-V420 HydrophobicContact CD1-CB 3.81Å; F367-V420 HydrophobicContact CD1-CG1 4.14Å; F367-V420 HydrophobicContact CD1-CG2 4.42Å; F367-V420 HydrophobicContact CE1-CB 4.32Å; F367-V420 HydrophobicContact CG-CB 4.39Å; V418-V420 VanDerWaalsContact C-N 3.29Å; V418-V420 HydrophobicContact CG1-CG2 3.78Å; V418-V420 PolarHBondContact O-N 3.32Å; V420-V422 HydrophobicContact CG1-CG1 4.19Å; V420-V422 PolarHBondContact O-N 3.44Å
421	D	78.8	Confident	77.5	Confident	108 Å²	108	67.8 Å²	67.8	58%	0.578	38%	0.38	S	S	*	.			trans	-76.4	68.7	179.6	-64.7	-41.5	0	0	0	112	K361	K361-D421 IonicContact NZ-OD2 2.58Å; K361-D421 PolarHBondContact NZ-OD2 2.9Å
422	V	83.1	Confident	76	Confident	7 Å²	7	69.4 Å²	69.4	4%	0.042	39%	0.393	C	S	.	.			trans	-72.2	150.1	169.6	-75.8	0	0	0	0	111.6	V364 F367 S368 L371 K415 V420 C424 P580	V364-V422 HydrophobicContact CG1-CG1 4.29Å; F367-V422 HydrophobicContact CB-CG1 4.48Å; F367-V422 HydrophobicContact CD1-CG1 3.74Å; S368-V422 WeakPolarHBondContact OG-CG1 3.31Å; L371-V422 HydrophobicContact CD1-CG1 4.32Å; L371-V422 HydrophobicContact CD1-CG2 3.99Å; K415-V422 HydrophobicContact CD-CG2 4.29Å; K415-V422 HydrophobicContact CG-CG2 3.51Å; V420-V422 HydrophobicContact CG1-CG1 4.19Å; V420-V422 PolarHBondContact O-N 3.44Å; V422-C424 PolarHBondContact O-N 3.45Å; V422-C424 PolarHBondContact O-SG 2.91Å; V422-P580 HydrophobicContact CG2-CB 3.84Å; V422-P580 HydrophobicContact CG2-CG 4.11Å
423	P	78.1	Confident	74.7	Confident	47 Å²	47	70.1 Å²	70.1	31%	0.305	40%	0.398	S	S	.	.			trans	-58.7	125.2	178.2	24.3	-33.6	0	0	0	110.2	I320 M581	I320-P423 HydrophobicContact CD1-CG 4.08Å; I320-P423 HydrophobicContact CG1-CG 4.3Å; I320-P423 HydrophobicContact CG2-CG 4.27Å; P423-M581 PolarHBondContact O-N 2.63Å
424	C	78.7	Confident	73.3	Confident	37 Å²	37	70.2 Å²	70.2	25%	0.25	40%	0.395	C	S	.	.	B	Isolated β-bridge	trans	-108.5	166.4	178.6	-61.9	0	0	0	0	109.8	K415 V422 E426 L577	K415-C424 PolarHBondContact NZ-SG 3.43Å; V422-C424 PolarHBondContact O-N 3.45Å; V422-C424 PolarHBondContact O-SG 2.91Å; C424-E426 PolarHBondContact O-N 3.47Å; C424-L577 WeakPolarHBondContact CB-O 3.46Å
425	L	67.1	Low	72.1	Confident	7 Å²	7	72.6 Å²	72.6	4%	0.037	40%	0.403	C	S	.	.			trans	-60.6	125.8	177.5	-75.7	72.5	0	0	0	109.8	V216 I220 L577 I579 L584	V216-L425 HydrophobicContact CG1-CD2 4.1Å; I220-L425 HydrophobicContact CD1-CB 3.95Å; I220-L425 HydrophobicContact CD1-CD2 3.21Å; I220-L425 HydrophobicContact CD1-CG 3.63Å; L425-L577 WeakPolarHBondContact O-CD2 3.47Å; L425-I579 HydrophobicContact CD1-CB 4.03Å; L425-I579 HydrophobicContact CD1-CG2 4.05Å; L425-I579 WeakPolarHBondContact CD1-O 3.35Å; L425-I579 PolarHBondContact N-O 3.46Å; L425-L584 HydrophobicContact CD1-CD1 3.53Å; L425-L584 HydrophobicContact CD1-CG 4.45Å; L425-L584 HydrophobicContact CD2-CD1 3.85Å; L425-L584 HydrophobicContact CG-CD1 3.96Å
426	E	62.3	Low	70.9	Confident	172 Å²	172	79.9 Å²	79.9	80%	0.804	44%	0.443	S	S	*	.			trans	-93.9	112.1	168.4	-67.3	-173.5	176.8	0	0	108.7	C424	C424-E426 PolarHBondContact O-N 3.47Å
427	V	61.6	Low	70.4	Confident	54 Å²	54	74.2 Å²	74.2	33%	0.327	42%	0.422	S	S	.	.			trans	-100.3	130.6	176	-178.4	0	0	0	0	108.4	S429 L577	V427-S429 PolarHBondContact O-N 3.48Å; V427-L577 HydrophobicContact CB-CD2 4.33Å; V427-L577 HydrophobicContact CG2-CD2 4.16Å
428	P	57.4	Low	69.9	Low	83 Å²	83	70.5 Å²	70.5	54%	0.539	42%	0.416	S	S	.	.			trans	-58.1	127.9	176.9	23.3	-32.8	0	0	0	110.2	T430	P428-T430 VanDerWaalsContact C-N 3.27Å; P428-T430 PolarHBondContact O-N 2.98Å
429	S	57.6	Low	69.4	Low	90 Å²	90	70.1 Å²	70.1	63%	0.629	41%	0.405	S	S	*	.	S	Bend	trans	-72.3	-23.7	-176.8	59.6	0	0	0	0	112.5	V427 K569	V427-S429 PolarHBondContact O-N 3.48Å; S429-K569 PolarHBondContact O-NZ 3.41Å
430	T	57.8	Low	69.6	Low	90 Å²	90	74.3 Å²	74.3	55%	0.552	41%	0.408	S	S	*	.	S	Bend	trans	-121	134.9	-175.7	50.2	0	0	0	0	111.2	P428 S432	P428-T430 VanDerWaalsContact C-N 3.27Å; P428-T430 PolarHBondContact O-N 2.98Å; T430-S432 PolarHBondContact O-N 2.89Å
431	F	62.7	Low	69.6	Low	101 Å²	101	74 Å²	74	44%	0.443	41%	0.405	S	S	.	.			trans	-89	84.2	171.7	-173.3	-100.8	0	0	0	108.5	L236 W439 L563	L236-F431 HydrophobicContact CD2-CD2 4.41Å; L236-F431 HydrophobicContact CD2-CE2 3.69Å; L236-F431 HydrophobicContact CD2-CZ 4.43Å; F431-W439 HydrophobicContact CD1-CH2 4.26Å; F431-W439 AromaticContact CD1-CZ2 3.8Å; F431-W439 HydrophobicContact CD1-CZ2 3.8Å; F431-W439 AromaticContact CE1-CH2 3.54Å; F431-W439 HydrophobicContact CE1-CH2 3.54Å; F431-W439 AromaticContact CE1-CZ2 3.29Å; F431-W439 HydrophobicContact CE1-CZ2 3.29Å; F431-W439 HydrophobicContact CE2-CH2 4.11Å; F431-W439 AromaticContact CZ-CH2 3.45Å; F431-W439 HydrophobicContact CZ-CH2 3.45Å; F431-W439 VanDerWaalsContact CZ-CH2 3.45Å; F431-W439 AromaticContact CZ-CZ2 3.76Å; F431-W439 HydrophobicContact CZ-CZ2 3.76Å; F431-W439 HydrophobicContact CZ-CZ3 4.37Å; F431-L563 HydrophobicContact CE1-CD2 4.43Å
432	S	62	Low	69.7	Low	57 Å²	57	74.2 Å²	74.2	40%	0.399	41%	0.406	S	S	.	.			trans	-135.7	151.5	177.2	57.6	0	0	0	0	110.6	T430	T430-S432 PolarHBondContact O-N 2.89Å
433	P	64.1	Low	69.5	Low	27 Å²	27	76 Å²	76	18%	0.175	42%	0.418	C	S	.	.			trans	-59.6	150.8	169.5	23.9	-29.9	0	0	0	110.7	I435 R437	P433-I435 CarbonylContact C-O 3.47Å; P433-I435 PolarHBondContact O-N 3.39Å; P433-R437 HydrophobicContact CB-CG 3.89Å; P433-R437 HydrophobicContact CG-CG 4.32Å; P433-R437 WeakPolarHBondContact CG-O 3.45Å
434	T	62.4	Low	69.4	Low	42 Å²	42	79.6 Å²	79.6	26%	0.258	44%	0.439	S	S	.	.	S	Bend	trans	-55.5	-35.4	-177.1	9.3	0	0	0	0	114.2	K232 Q233 P235	K232-T434 VanDerWaalsContact O-CB 3.25Å; K232-T434 WeakPolarHBondContact O-CB 3.45Å; K232-T434 WeakPolarHBondContact O-CG2 3.38Å; Q233-T434 VanDerWaalsContact C-OG1 3.3Å; Q233-T434 PolarHBondContact O-OG1 3.17Å; P235-T434 HydrophobicContact CB-CG2 3.66Å; P235-T434 VanDerWaalsContact CD-OG1 3.27Å; P235-T434 WeakPolarHBondContact CD-OG1 3.37Å; P235-T434 HydrophobicContact CG-CG2 3.4Å
435	I	65.3	Low	68.8	Low	78 Å²	78	80.2 Å²	80.2	40%	0.4	45%	0.452	S	S	.	.	S	Bend	trans	-111.3	151.5	179.5	-60.8	170.3	0	0	0	105.6	L264 P433 R437	L264-I435 HydrophobicContact CD1-CD1 4.33Å; P433-I435 CarbonylContact C-O 3.47Å; P433-I435 PolarHBondContact O-N 3.39Å; I435-R437 HydrophobicContact CB-CB 4.42Å; I435-R437 HydrophobicContact CB-CG 4.27Å; I435-R437 HydrophobicContact CG2-CB 4.38Å; I435-R437 PolarHBondContact O-N 3.25Å
436	N	66.2	Low	68.8	Low	184 Å²	184	81.2 Å²	81.2	98%	0.984	46%	0.457	S	S	*	.	S	Bend	trans	-62.8	64.6	168	-78	-16	0	0	0	110.6
437	R	75.6	Confident	69.5	Low	47 Å²	47	81.8 Å²	81.8	18%	0.177	46%	0.459	C	S	.	.			trans	-121.3	159.1	-176.6	71.3	169.5	179.8	110.9	-7.4	110.4	P433 I435 M507 G508	P433-R437 HydrophobicContact CB-CG 3.89Å; P433-R437 HydrophobicContact CG-CG 4.32Å; P433-R437 WeakPolarHBondContact CG-O 3.45Å; I435-R437 HydrophobicContact CB-CB 4.42Å; I435-R437 HydrophobicContact CB-CG 4.27Å; I435-R437 HydrophobicContact CG2-CB 4.38Å; I435-R437 PolarHBondContact O-N 3.25Å; R437-M507 PolarHBondContact NH1-O 3.36Å; R437-M507 VanDerWaalsContact NH1-O 3.13Å; R437-M507 PolarHBondContact NH2-O 3.39Å; R437-G508 PolarHBondContact NH2-O 3.27Å
438	S	78.1	Confident	70.3	Confident	83 Å²	83	82.1 Å²	82.1	58%	0.58	46%	0.462	S	S	*	.			trans	-67.2	152.6	166.8	49.8	0	0	0	0	111.2	F440	S438-F440 VanDerWaalsContact C-N 3.27Å; S438-F440 PolarHBondContact O-N 2.94Å; S438-F440 PolarHBondContact OG-O 3.49Å
439	W	77.5	Confident	71.4	Confident	76 Å²	76	86.7 Å²	86.7	29%	0.288	47%	0.469	S	S	.	.	S	Bend	trans	-61.5	-36.7	173.3	-78.9	97	0	0	0	112.2	F431 M507 I509	F431-W439 HydrophobicContact CD1-CH2 4.26Å; F431-W439 AromaticContact CD1-CZ2 3.8Å; F431-W439 HydrophobicContact CD1-CZ2 3.8Å; F431-W439 AromaticContact CE1-CH2 3.54Å; F431-W439 HydrophobicContact CE1-CH2 3.54Å; F431-W439 AromaticContact CE1-CZ2 3.29Å; F431-W439 HydrophobicContact CE1-CZ2 3.29Å; F431-W439 HydrophobicContact CE2-CH2 4.11Å; F431-W439 AromaticContact CZ-CH2 3.45Å; F431-W439 HydrophobicContact CZ-CH2 3.45Å; F431-W439 VanDerWaalsContact CZ-CH2 3.45Å; F431-W439 AromaticContact CZ-CZ2 3.76Å; F431-W439 HydrophobicContact CZ-CZ2 3.76Å; F431-W439 HydrophobicContact CZ-CZ3 4.37Å; W439-M507 HydrophobicContact CE3-CE 4.23Å; W439-M507 CarbonylContact O-C 3.52Å; W439-M507 VanDerWaalsContact O-CA 3.23Å; W439-M507 WeakPolarHBondContact O-CA 3.32Å; W439-I509 HydrophobicContact CE3-CD1 4.41Å; W439-I509 HydrophobicContact CZ3-CD1 3.96Å
440	F	83.1	Confident	72.8	Confident	143 Å²	143	89 Å²	89	63%	0.627	46%	0.464	S	S	*	.	S	Bend	trans	-91.4	128.7	175.7	-64.6	-79.3	0	0	0	110.7	S438 F506 M507	S438-F440 VanDerWaalsContact C-N 3.27Å; S438-F440 PolarHBondContact O-N 2.94Å; S438-F440 PolarHBondContact OG-O 3.49Å; F440-F506 WeakPolarHBondContact CA-O 3.4Å; F440-F506 HydrophobicContact CD1-CB 4.48Å; F440-M507 HydrophobicContact CE1-CG 4.45Å
441	L	81.3	Confident	74.1	Confident	22 Å²	22	85.5 Å²	85.5	12%	0.115	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-81.8	139.6	173.3	-68	172.3	0	0	0	110.3	L264 L268 F506	L264-L441 HydrophobicContact CB-CD1 4.23Å; L264-L441 HydrophobicContact CB-CD2 4.06Å; L264-L441 HydrophobicContact CD1-CD2 4.28Å; L268-L441 HydrophobicContact CB-CD1 4.46Å; L268-L441 HydrophobicContact CD1-CB 3.68Å; L268-L441 HydrophobicContact CD1-CD1 4.41Å; L441-F506 PolarHBondContact N-O 2.99Å
442	N	81.4	Confident	75.2	Confident	112 Å²	112	81.6 Å²	81.6	60%	0.599	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-85.7	122.3	173.6	-172.9	-10.6	0	0	0	109.4	V444	N442-V444 PolarHBondContact O-N 3.49Å; N442-V444 WeakPolarHBondContact OD1-CG2 3.48Å; N442-V444 PolarHBondContact OD1-N 3.05Å
443	P	78.7	Confident	76.4	Confident	45 Å²	45	82.8 Å²	82.8	29%	0.292	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-68.4	-15.3	-178.3	26.2	-34.9	0	0	0	114.4	L268 W269 G445	L268-P443 HydrophobicContact CD2-CB 3.99Å; W269-P443 HydrophobicContact CZ2-CB 4.18Å; W269-P443 PolarHBondContact NE1-O 3.31Å; W269-P443 VanDerWaalsContact NE1-O 3.11Å; P443-G445 PolarHBondContact O-N 3.43Å; P443-G445 VanDerWaalsContact O-N 3.15Å
444	V	76.3	Confident	77.6	Confident	121 Å²	121	85.5 Å²	85.5	73%	0.733	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-80.8	14.1	-170	-169.6	0	0	0	0	113.4	N442	N442-V444 PolarHBondContact O-N 3.49Å; N442-V444 WeakPolarHBondContact OD1-CG2 3.48Å; N442-V444 PolarHBondContact OD1-N 3.05Å
445	G	66.4	Low	78.9	Confident	51 Å²	51	83.7 Å²	83.7	53%	0.526	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-84.3	-5.6	-173.2	0	0	0	0	0	117.4	P443	P443-G445 PolarHBondContact O-N 3.43Å; P443-G445 VanDerWaalsContact O-N 3.15Å
446	I	67.5	Low	80.1	Confident	28 Å²	28	82.3 Å²	82.3	14%	0.144	43%	0.426	C	S	.	.			trans	-102	107.7	-174.4	-57	-177	0	0	0	111.4	T265 L266 W269 I451	T265-I446 HydrophobicContact CG2-CD1 3.98Å; T265-I446 HydrophobicContact CG2-CG1 3.53Å; L266-I446 HydrophobicContact CD1-CD1 4.34Å; W269-I446 VanDerWaalsContact CD1-CD1 3.4Å; W269-I446 HydrophobicContact CG-CD1 4.26Å; I446-I451 HydrophobicContact CD1-CG2 4.37Å; I446-I451 HydrophobicContact CG2-CB 3.59Å; I446-I451 HydrophobicContact CG2-CD1 3.81Å; I446-I451 HydrophobicContact CG2-CG1 4.27Å; I446-I451 HydrophobicContact CG2-CG2 3.74Å
447	E	76	Confident	81.2	Confident	184 Å²	184	79.1 Å²	79.1	86%	0.86	41%	0.408	S	S	*	.	S	Bend	trans	-104.1	131.6	161.9	-67	-174.1	174.1	0	0	109.4
448	P	79.2	Confident	81.8	Confident	60 Å²	60	78.7 Å²	78.7	39%	0.39	41%	0.411	S	S	.	.	S	Bend	cis	-80.1	153.9	-10.2	30	-36.8	0	0	0	114.9	W450 I451	P448-W450 HydrophobicContact CG-CD2 4.35Å; P448-W450 VanDerWaalsContact CG-CE2 3.46Å; P448-W450 HydrophobicContact CG-CG 4.39Å; P448-W450 HydrophobicContact CG-CZ2 3.86Å; P448-W450 PolarHBondContact O-N 3.47Å; P448-I451 HydrophobicContact CG-CD1 4.29Å; P448-I451 PolarHBondContact O-N 2.88Å
449	W	80.8	Confident	82.5	Confident	180 Å²	180	74.7 Å²	74.7	68%	0.682	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-28	-174.2	70.7	-89.2	0	0	0	115.1	I451 T452 L453	W449-I451 PolarHBondContact O-N 3.46Å; W449-I451 VanDerWaalsContact O-N 3.15Å; W449-T452 WeakPolarHBondContact O-CB 3.48Å; W449-T452 WeakPolarHBondContact O-CG2 3.24Å; W449-T452 PolarHBondContact O-N 2.94Å; W449-T452 PolarHBondContact O-OG1 3.21Å; W449-L453 HydrophobicContact CE3-CD1 4.47Å; W449-L453 HydrophobicContact CH2-CD1 4.21Å; W449-L453 HydrophobicContact CZ3-CD1 3.6Å; W449-L453 HydrophobicContact CZ3-CG 4.19Å
450	W	85.4	Confident	83.1	Confident	138 Å²	138	73 Å²	73	52%	0.523	38%	0.381	S	S	.	.	H	α-helix	trans	-63.9	-21.5	-177.4	61.2	-103.8	0	0	0	113.3	P448 T452 L453 V454	P448-W450 HydrophobicContact CG-CD2 4.35Å; P448-W450 VanDerWaalsContact CG-CE2 3.46Å; P448-W450 HydrophobicContact CG-CG 4.39Å; P448-W450 HydrophobicContact CG-CZ2 3.86Å; P448-W450 PolarHBondContact O-N 3.47Å; W450-T452 PolarHBondContact O-N 2.93Å; W450-L453 WeakPolarHBondContact O-CB 3.27Å; W450-L453 PolarHBondContact O-N 3.25Å; W450-V454 HydrophobicContact CE3-CG2 3.65Å; W450-V454 HydrophobicContact CZ3-CG2 3.83Å; W450-V454 PolarHBondContact O-N 3.32Å; W450-V454 VanDerWaalsContact O-N 3.11Å
451	I	85.9	Confident	83.3	Confident	16 Å²	16	70.2 Å²	70.2	8%	0.082	37%	0.369	C	S	.	.	H	α-helix	trans	-59.3	-35.1	174.3	-66.9	167.4	0	0	0	110.3	M261 L266 I446 P448 W449 L453 V454 C455	M261-I451 HydrophobicContact SD-CD1 4.02Å; M261-I451 HydrophobicContact SD-CG2 4.28Å; L266-I451 HydrophobicContact CD1-CG2 3.77Å; I446-I451 HydrophobicContact CD1-CG2 4.37Å; I446-I451 HydrophobicContact CG2-CB 3.59Å; I446-I451 HydrophobicContact CG2-CD1 3.81Å; I446-I451 HydrophobicContact CG2-CG1 4.27Å; I446-I451 HydrophobicContact CG2-CG2 3.74Å; P448-I451 HydrophobicContact CG-CD1 4.29Å; P448-I451 PolarHBondContact O-N 2.88Å; W449-I451 PolarHBondContact O-N 3.46Å; W449-I451 VanDerWaalsContact O-N 3.15Å; I451-L453 PolarHBondContact O-N 3.47Å; I451-V454 PolarHBondContact O-N 3.09Å; I451-C455 PolarHBondContact O-N 3.35Å; I451-C455 PolarHBondContact O-SG 3.35Å
452	T	85.6	Confident	83.6	Confident	19 Å²	19	69.1 Å²	69.1	12%	0.117	36%	0.364	C	S	.	.	H	α-helix	trans	-59.3	-33.4	175	68.3	0	0	0	0	112.4	W269 W273 W449 W450 C455	W269-T452 HydrophobicContact CD2-CG2 3.75Å; W269-T452 HydrophobicContact CE3-CG2 4.3Å; W269-T452 HydrophobicContact CG-CG2 4.08Å; W269-T452 HydrophobicContact CH2-CG2 4.42Å; W269-T452 HydrophobicContact CZ2-CG2 3.9Å; W273-T452 PolarHBondContact NE1-O 2.75Å; W449-T452 WeakPolarHBondContact O-CB 3.48Å; W449-T452 WeakPolarHBondContact O-CG2 3.24Å; W449-T452 PolarHBondContact O-N 2.94Å; W449-T452 PolarHBondContact O-OG1 3.21Å; W450-T452 PolarHBondContact O-N 2.93Å; T452-C455 WeakPolarHBondContact O-CB 3.42Å
453	L	88.3	Confident	84.1	Confident	82 Å²	82	63.9 Å²	63.9	43%	0.429	34%	0.336	S	S	.	.	H	α-helix	trans	-77.3	-35.7	174.2	-65.7	-178.2	0	0	0	111.8	W273 W449 W450 I451 C455 I456	W273-L453 HydrophobicContact CZ2-CD2 4.21Å; W449-L453 HydrophobicContact CE3-CD1 4.47Å; W449-L453 HydrophobicContact CH2-CD1 4.21Å; W449-L453 HydrophobicContact CZ3-CD1 3.6Å; W449-L453 HydrophobicContact CZ3-CG 4.19Å; W450-L453 WeakPolarHBondContact O-CB 3.27Å; W450-L453 PolarHBondContact O-N 3.25Å; I451-L453 PolarHBondContact O-N 3.47Å; L453-C455 PolarHBondContact O-N 3.27Å; L453-I456 HydrophobicContact CD2-CD1 4.22Å; L453-I456 VanDerWaalsContact O-CB 3.23Å; L453-I456 WeakPolarHBondContact O-CB 3.44Å; L453-I456 WeakPolarHBondContact O-CD1 3.46Å; L453-I456 WeakPolarHBondContact O-CG1 3.45Å; L453-I456 PolarHBondContact O-N 3.24Å; L453-I456 VanDerWaalsContact O-N 3.09Å
454	V	88	Confident	84.5	Confident	85 Å²	85	64.7 Å²	64.7	52%	0.515	34%	0.337	S	S	.	.	H	α-helix	trans	-62.9	-31.9	176.4	173.2	0	0	0	0	111.4	W450 I451 I456 L457 P458	W450-V454 HydrophobicContact CE3-CG2 3.65Å; W450-V454 HydrophobicContact CZ3-CG2 3.83Å; W450-V454 PolarHBondContact O-N 3.32Å; W450-V454 VanDerWaalsContact O-N 3.11Å; I451-V454 PolarHBondContact O-N 3.09Å; V454-I456 PolarHBondContact O-N 3.33Å; V454-L457 PolarHBondContact O-N 3.11Å; V454-L457 VanDerWaalsContact O-N 3.13Å; V454-P458 VanDerWaalsContact O-CD 3.26Å; V454-P458 WeakPolarHBondContact O-CD 3.27Å
455	C	90	Very high	85	Confident	4 Å²	4	59.3 Å²	59.3	3%	0.027	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-18.7	173.6	-67.5	0	0	0	0	114.3	L266 W269 V270 I451 T452 L453 L457 P458 A459	L266-C455 WeakPolarHBondContact CD1-SG 3.18Å; W269-C455 HydrophobicContact CB-CB 4.33Å; V270-C455 HydrophobicContact CG2-CB 3.93Å; I451-C455 PolarHBondContact O-N 3.35Å; I451-C455 PolarHBondContact O-SG 3.35Å; T452-C455 WeakPolarHBondContact O-CB 3.42Å; L453-C455 PolarHBondContact O-N 3.27Å; C455-L457 PolarHBondContact O-N 2.84Å; C455-P458 VanDerWaalsContact O-CD 3.29Å; C455-P458 WeakPolarHBondContact O-CD 3.43Å; C455-P458 WeakPolarHBondContact O-CG 3.24Å; C455-A459 WeakPolarHBondContact O-CB 3.33Å; C455-A459 PolarHBondContact O-N 3.46Å
456	I	91.7	Very high	86	Confident	49 Å²	49	56.9 Å²	56.9	25%	0.251	28%	0.279	S	S	.	.	H	α-helix	trans	-57.8	-38.2	175.1	-64.9	169.3	0	0	0	111.2	W273 W277 L453 V454 A459 T460	W273-I456 HydrophobicContact CD2-CD1 4.34Å; W273-I456 HydrophobicContact CD2-CG1 3.51Å; W273-I456 VanDerWaalsContact CE2-CG1 3.42Å; W273-I456 HydrophobicContact CE3-CD1 4.37Å; W273-I456 HydrophobicContact CE3-CG1 3.81Å; W273-I456 HydrophobicContact CG-CG1 4.01Å; W273-I456 HydrophobicContact CH2-CD1 3.71Å; W273-I456 HydrophobicContact CH2-CG1 3.97Å; W273-I456 HydrophobicContact CZ2-CD1 3.66Å; W273-I456 HydrophobicContact CZ2-CG1 3.68Å; W273-I456 HydrophobicContact CZ3-CD1 4.06Å; W273-I456 HydrophobicContact CZ3-CG1 4.03Å; W277-I456 HydrophobicContact CZ2-CG2 4.42Å; L453-I456 HydrophobicContact CD2-CD1 4.22Å; L453-I456 VanDerWaalsContact O-CB 3.23Å; L453-I456 WeakPolarHBondContact O-CB 3.44Å; L453-I456 WeakPolarHBondContact O-CD1 3.46Å; L453-I456 WeakPolarHBondContact O-CG1 3.45Å; L453-I456 PolarHBondContact O-N 3.24Å; L453-I456 VanDerWaalsContact O-N 3.09Å; V454-I456 PolarHBondContact O-N 3.33Å; I456-A459 PolarHBondContact O-N 2.81Å; I456-T460 PolarHBondContact O-N 3.31Å; I456-T460 PolarHBondContact O-OG1 3.31Å
457	L	88.8	Confident	87.1	Confident	116 Å²	116	56.2 Å²	56.2	61%	0.607	28%	0.276	S	S	*	.	H	α-helix	trans	-65.4	-58.1	-177.9	-175.8	143.3	0	0	0	112.5	V454 C455 A459 T460 F461	V454-L457 PolarHBondContact O-N 3.11Å; V454-L457 VanDerWaalsContact O-N 3.13Å; C455-L457 PolarHBondContact O-N 2.84Å; L457-A459 PolarHBondContact O-N 3.31Å; L457-T460 WeakPolarHBondContact O-CB 2.97Å; L457-T460 PolarHBondContact O-N 2.59Å; L457-T460 VanDerWaalsContact O-N 3.08Å; L457-F461 HydrophobicContact CD2-CD2 4.28Å; L457-F461 HydrophobicContact CD2-CE2 4.04Å; L457-F461 HydrophobicContact CG-CE2 4.3Å; L457-F461 WeakPolarHBondContact O-CD2 3.2Å; L457-F461 PolarHBondContact O-N 3.5Å
458	P	88.4	Confident	87.5	Confident	38 Å²	38	49 Å²	49	25%	0.247	24%	0.242	C	C	.	.	H	α-helix	trans	-62.9	-33.2	176.2	24.7	-33.5	0	0	0	111.9	F248 V270 V454 C455 T460 F461 F462	F248-P458 HydrophobicContact CE2-CB 4.09Å; F248-P458 HydrophobicContact CZ-CB 3.92Å; V270-P458 HydrophobicContact CG2-CG 4.21Å; V454-P458 VanDerWaalsContact O-CD 3.26Å; V454-P458 WeakPolarHBondContact O-CD 3.27Å; C455-P458 VanDerWaalsContact O-CD 3.29Å; C455-P458 WeakPolarHBondContact O-CD 3.43Å; C455-P458 WeakPolarHBondContact O-CG 3.24Å; P458-T460 VanDerWaalsContact C-N 3.28Å; P458-T460 PolarHBondContact O-N 2.81Å; P458-F461 PolarHBondContact O-N 3.18Å; P458-F462 WeakPolarHBondContact O-CB 3.39Å; P458-F462 PolarHBondContact O-N 3.04Å
459	A	92.1	Very high	87.9	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.2	-35.7	173.4	0	0	0	0	0	113.1	V270 W273 T274 C455 I456 L457 F462 S463	V270-A459 HydrophobicContact CG1-CB 4.35Å; W273-A459 HydrophobicContact CB-CB 3.36Å; W273-A459 HydrophobicContact CG-CB 4.46Å; T274-A459 HydrophobicContact CG2-CB 3.71Å; T274-A459 WeakPolarHBondContact CG2-O 3.4Å; C455-A459 WeakPolarHBondContact O-CB 3.33Å; C455-A459 PolarHBondContact O-N 3.46Å; I456-A459 PolarHBondContact O-N 2.81Å; L457-A459 PolarHBondContact O-N 3.31Å; A459-F462 PolarHBondContact O-N 2.62Å; A459-S463 VanDerWaalsContact O-CB 3.25Å; A459-S463 WeakPolarHBondContact O-CB 3.31Å; A459-S463 PolarHBondContact O-N 3.1Å; A459-S463 PolarHBondContact O-OG 3.03Å
460	T	89.7	Confident	88.3	Confident	40 Å²	40	38.8 Å²	38.8	25%	0.245	20%	0.198	C	C	.	.	H	α-helix	trans	-64.3	-49.2	177.6	-54.6	0	0	0	0	110.6	W277 I456 L457 P458 F462 S463 L464	W277-T460 PolarHBondContact NE1-OG1 3.27Å; I456-T460 PolarHBondContact O-N 3.31Å; I456-T460 PolarHBondContact O-OG1 3.31Å; L457-T460 WeakPolarHBondContact O-CB 2.97Å; L457-T460 PolarHBondContact O-N 2.59Å; L457-T460 VanDerWaalsContact O-N 3.08Å; P458-T460 VanDerWaalsContact C-N 3.28Å; P458-T460 PolarHBondContact O-N 2.81Å; T460-F462 PolarHBondContact O-N 2.91Å; T460-S463 PolarHBondContact O-N 2.93Å; T460-S463 PolarHBondContact O-OG 3.46Å; T460-L464 WeakPolarHBondContact O-CG 3.2Å; T460-L464 PolarHBondContact O-N 3.18Å
461	F	86.7	Confident	88.5	Confident	84 Å²	84	32.4 Å²	32.4	37%	0.368	17%	0.173	S	C	.	.	H	α-helix	trans	-61.3	-44.1	176.7	-74.1	-77	0	0	0	112.3	L457 P458 S463 L464 L465	L457-F461 HydrophobicContact CD2-CD2 4.28Å; L457-F461 HydrophobicContact CD2-CE2 4.04Å; L457-F461 HydrophobicContact CG-CE2 4.3Å; L457-F461 WeakPolarHBondContact O-CD2 3.2Å; L457-F461 PolarHBondContact O-N 3.5Å; P458-F461 PolarHBondContact O-N 3.18Å; F461-S463 VanDerWaalsContact C-N 3.35Å; F461-S463 PolarHBondContact O-N 3.35Å; F461-L464 PolarHBondContact O-N 3.19Å; F461-L465 PolarHBondContact O-N 2.68Å
462	F	88.7	Confident	88.6	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-66.6	-36.4	178.7	-165.9	-112.7	0	0	0	112.3	C245 F248 T274 P458 A459 T460 L465 I466 F511	C245-F462 HydrophobicContact CB-CE2 4.09Å; C245-F462 HydrophobicContact CB-CZ 4.42Å; F248-F462 HydrophobicContact CB-CD2 4.18Å; F248-F462 HydrophobicContact CB-CE2 4.34Å; F248-F462 AromaticContact CD1-CD2 3.45Å; F248-F462 HydrophobicContact CD1-CD2 3.45Å; F248-F462 VanDerWaalsContact CD1-CD2 3.45Å; F248-F462 AromaticContact CD1-CE2 3.79Å; F248-F462 HydrophobicContact CD1-CE2 3.79Å; F248-F462 HydrophobicContact CD1-CG 4.06Å; F248-F462 HydrophobicContact CD2-CB 4.48Å; F248-F462 HydrophobicContact CD2-CD2 4.14Å; F248-F462 HydrophobicContact CE1-CB 4.03Å; F248-F462 AromaticContact CE1-CD2 3.76Å; F248-F462 HydrophobicContact CE1-CD2 3.76Å; F248-F462 HydrophobicContact CE1-CE2 4.36Å; F248-F462 AromaticContact CE1-CG 3.87Å; F248-F462 HydrophobicContact CE1-CG 3.87Å; F248-F462 HydrophobicContact CE2-CB 4Å; F248-F462 HydrophobicContact CE2-CD2 4.39Å; F248-F462 AromaticContact CG-CD2 3.65Å; F248-F462 HydrophobicContact CG-CD2 3.65Å; F248-F462 HydrophobicContact CG-CE2 4.16Å; F248-F462 HydrophobicContact CG-CG 4.47Å; F248-F462 HydrophobicContact CZ-CB 3.74Å; F248-F462 HydrophobicContact CZ-CD2 4.21Å; F248-F462 HydrophobicContact CZ-CG 4.11Å; T274-F462 HydrophobicContact CG2-CB 3.95Å; T274-F462 HydrophobicContact CG2-CD1 3.61Å; T274-F462 HydrophobicContact CG2-CG 4.26Å; P458-F462 WeakPolarHBondContact O-CB 3.39Å; P458-F462 PolarHBondContact O-N 3.04Å; A459-F462 PolarHBondContact O-N 2.62Å; T460-F462 PolarHBondContact O-N 2.91Å; F462-L465 WeakPolarHBondContact O-CB 3.35Å; F462-L465 PolarHBondContact O-N 3.41Å; F462-I466 HydrophobicContact CD1-CD1 3.52Å; F462-I466 HydrophobicContact CD1-CG1 4.44Å; F462-I466 HydrophobicContact CE1-CD1 3.34Å; F462-I466 HydrophobicContact CE1-CG1 4.25Å; F462-I466 HydrophobicContact CG-CD1 4.32Å; F462-I466 HydrophobicContact CZ-CD1 3.98Å; F462-I466 HydrophobicContact CZ-CG1 4.46Å; F462-I466 WeakPolarHBondContact O-CG1 3.48Å; F462-I466 PolarHBondContact O-N 3.14Å; F462-F511 HydrophobicContact CE1-CB 4.24Å; F462-F511 AromaticContact CE1-CD2 3.41Å; F462-F511 HydrophobicContact CE1-CD2 3.41Å; F462-F511 VanDerWaalsContact CE1-CD2 3.41Å; F462-F511 AromaticContact CE1-CE2 3.98Å; F462-F511 HydrophobicContact CE1-CE2 3.98Å; F462-F511 HydrophobicContact CE1-CG 4.05Å; F462-F511 HydrophobicContact CZ-CB 4.26Å; F462-F511 AromaticContact CZ-CD2 3.6Å; F462-F511 HydrophobicContact CZ-CD2 3.6Å; F462-F511 HydrophobicContact CZ-CE2 4.4Å; F462-F511 HydrophobicContact CZ-CG 4.33Å
463	S	90.8	Very high	88.7	Confident	2 Å²	2	31.2 Å²	31.2	1%	0.014	17%	0.167	C	C	.	.	H	α-helix	trans	-65	-37.8	174.2	75.1	0	0	0	0	112.5	A459 T460 F461 I466 L467	A459-S463 VanDerWaalsContact O-CB 3.25Å; A459-S463 WeakPolarHBondContact O-CB 3.31Å; A459-S463 PolarHBondContact O-N 3.1Å; A459-S463 PolarHBondContact O-OG 3.03Å; T460-S463 PolarHBondContact O-N 2.93Å; T460-S463 PolarHBondContact O-OG 3.46Å; F461-S463 VanDerWaalsContact C-N 3.35Å; F461-S463 PolarHBondContact O-N 3.35Å; S463-I466 PolarHBondContact O-N 2.99Å; S463-L467 VanDerWaalsContact O-CB 3.24Å; S463-L467 WeakPolarHBondContact O-CB 3.29Å; S463-L467 PolarHBondContact O-N 2.78Å
464	L	88.2	Confident	88.8	Confident	62 Å²	62	27.7 Å²	27.7	33%	0.325	15%	0.149	S	C	.	.	H	α-helix	trans	-65.9	-39.6	174.3	-72.8	174	0	0	0	111.5	T460 F461 L467 M468 P657	T460-L464 WeakPolarHBondContact O-CG 3.2Å; T460-L464 PolarHBondContact O-N 3.18Å; F461-L464 PolarHBondContact O-N 3.19Å; L464-L467 PolarHBondContact O-N 3.43Å; L464-M468 WeakPolarHBondContact O-CB 3.38Å; L464-M468 VanDerWaalsContact O-CG 3.27Å; L464-M468 WeakPolarHBondContact O-CG 3.46Å; L464-M468 PolarHBondContact O-N 3.29Å; L464-P657 HydrophobicContact CB-CB 4.39Å
465	L	86	Confident	88.8	Confident	7 Å²	7	24.5 Å²	24.5	4%	0.037	13%	0.129	C	C	.	.	H	α-helix	trans	-61.3	-50.1	175.4	-172.2	157.1	0	0	0	111.1	P244 C245 F461 F462 L467 M468 D469 P657	P244-L465 HydrophobicContact CB-CD1 3.74Å; P244-L465 HydrophobicContact CB-CD2 4.45Å; P244-L465 HydrophobicContact CB-CG 4.4Å; C245-L465 WeakPolarHBondContact SG-CD2 3.5Å; F461-L465 PolarHBondContact O-N 2.68Å; F462-L465 WeakPolarHBondContact O-CB 3.35Å; F462-L465 PolarHBondContact O-N 3.41Å; L465-L467 VanDerWaalsContact C-N 3.34Å; L465-L467 PolarHBondContact O-N 2.96Å; L465-M468 PolarHBondContact O-N 3.13Å; L465-D469 PolarHBondContact O-N 3.11Å; L465-P657 HydrophobicContact CB-CG 3.83Å; L465-P657 HydrophobicContact CG-CG 4.25Å
466	I	88.7	Confident	88.6	Confident	1 Å²	1	24.5 Å²	24.5	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-62.6	-42.3	178	-68.2	162.5	0	0	0	111.4	L278 F462 S463 M468 Q470 I497 I501 V513	L278-I466 HydrophobicContact CD1-CG2 3.98Å; L278-I466 HydrophobicContact CD2-CG2 4.48Å; F462-I466 HydrophobicContact CD1-CD1 3.52Å; F462-I466 HydrophobicContact CD1-CG1 4.44Å; F462-I466 HydrophobicContact CE1-CD1 3.34Å; F462-I466 HydrophobicContact CE1-CG1 4.25Å; F462-I466 HydrophobicContact CG-CD1 4.32Å; F462-I466 HydrophobicContact CZ-CD1 3.98Å; F462-I466 HydrophobicContact CZ-CG1 4.46Å; F462-I466 WeakPolarHBondContact O-CG1 3.48Å; F462-I466 PolarHBondContact O-N 3.14Å; S463-I466 PolarHBondContact O-N 2.99Å; I466-M468 VanDerWaalsContact C-N 3.33Å; I466-M468 PolarHBondContact O-N 3.21Å; I466-Q470 VanDerWaalsContact O-CB 3.27Å; I466-Q470 WeakPolarHBondContact O-CB 3.48Å; I466-Q470 PolarHBondContact O-N 3.31Å; I466-I497 HydrophobicContact CG2-CG2 3.82Å; I466-I501 HydrophobicContact CD1-CD1 3.61Å; I466-I501 HydrophobicContact CG2-CD1 4.34Å; I466-V513 HydrophobicContact CG1-CG2 4.25Å
467	L	89.4	Confident	88.4	Confident	14 Å²	14	24.1 Å²	24.1	7%	0.073	13%	0.127	C	C	.	.	H	α-helix	trans	-58.9	-45.8	176.7	-178.4	76.2	0	0	0	111.1	L281 S463 L464 L465 N471 L494	L281-L467 HydrophobicContact CD1-CD1 4.34Å; L281-L467 HydrophobicContact CD1-CD2 4.09Å; S463-L467 VanDerWaalsContact O-CB 3.24Å; S463-L467 WeakPolarHBondContact O-CB 3.29Å; S463-L467 PolarHBondContact O-N 2.78Å; L464-L467 PolarHBondContact O-N 3.43Å; L465-L467 VanDerWaalsContact C-N 3.34Å; L465-L467 PolarHBondContact O-N 2.96Å; L467-N471 WeakPolarHBondContact CD1-ND2 3.37Å; L467-N471 WeakPolarHBondContact CG-ND2 3.38Å; L467-N471 WeakPolarHBondContact O-CB 3.28Å; L467-N471 VanDerWaalsContact O-CG 3.27Å; L467-N471 PolarHBondContact O-N 3.46Å; L467-N471 PolarHBondContact O-ND2 3.23Å; L467-L494 HydrophobicContact CD1-CD1 4.01Å; L467-L494 HydrophobicContact CD1-CD2 3.42Å; L467-L494 VanDerWaalsContact CD1-CD2 3.42Å; L467-L494 HydrophobicContact CD1-CG 4.38Å
468	M	86.1	Confident	88.3	Confident	31 Å²	31	21 Å²	21	15%	0.153	11%	0.111	C	C	.	.	H	α-helix	trans	-66.9	-50.9	179.2	-72	-60	100.8	0	0	111.3	L464 L465 I466 Q470 N471 I472 P657 L660	L464-M468 WeakPolarHBondContact O-CB 3.38Å; L464-M468 VanDerWaalsContact O-CG 3.27Å; L464-M468 WeakPolarHBondContact O-CG 3.46Å; L464-M468 PolarHBondContact O-N 3.29Å; L465-M468 PolarHBondContact O-N 3.13Å; I466-M468 VanDerWaalsContact C-N 3.33Å; I466-M468 PolarHBondContact O-N 3.21Å; M468-Q470 PolarHBondContact O-N 3.16Å; M468-N471 PolarHBondContact O-N 2.85Å; M468-I472 HydrophobicContact CB-CD1 4.19Å; M468-I472 VanDerWaalsContact O-CB 3.24Å; M468-I472 WeakPolarHBondContact O-CB 3.5Å; M468-I472 WeakPolarHBondContact O-CD1 3.44Å; M468-I472 WeakPolarHBondContact O-CG1 3.35Å; M468-I472 PolarHBondContact O-N 3.22Å; M468-I472 HydrophobicContact SD-CD1 4.48Å; M468-P657 HydrophobicContact CG-CB 4.11Å; M468-L660 HydrophobicContact CB-CD1 4.28Å
469	D	86.8	Confident	87.9	Confident	6 Å²	6	20.4 Å²	20.4	3%	0.032	10%	0.104	C	C	.	.	H	α-helix	trans	-56.8	-48.9	178.9	-84.9	11.9	0	0	0	110.8	T242 L465 T473 V513	T242-D469 PolarHBondContact OG1-OD2 3.12Å; L465-D469 PolarHBondContact O-N 3.11Å; D469-T473 VanDerWaalsContact O-CB 3.23Å; D469-T473 WeakPolarHBondContact O-CB 3.49Å; D469-T473 PolarHBondContact O-N 3.28Å; D469-T473 PolarHBondContact O-OG1 2.94Å; D469-V513 HydrophobicContact CB-CG1 3.99Å
470	Q	89.6	Confident	87	Confident	21 Å²	21	24.7 Å²	24.7	10%	0.098	13%	0.132	C	C	.	.	H	α-helix	trans	-65.1	-52.3	-179.3	-178.7	60.1	30.4	0	0	112.2	I466 M468 T473 S474 I497	I466-Q470 VanDerWaalsContact O-CB 3.27Å; I466-Q470 WeakPolarHBondContact O-CB 3.48Å; I466-Q470 PolarHBondContact O-N 3.31Å; M468-Q470 PolarHBondContact O-N 3.16Å; Q470-T473 PolarHBondContact O-N 3.24Å; Q470-S474 PolarHBondContact NE2-OG 2.94Å; Q470-S474 PolarHBondContact O-N 3.32Å; Q470-S474 PolarHBondContact O-OG 2.99Å; Q470-I497 HydrophobicContact CB-CD1 4.05Å; Q470-I497 HydrophobicContact CG-CD1 3.55Å
471	N	89.7	Confident	86.3	Confident	3 Å²	3	26.6 Å²	26.6	2%	0.016	14%	0.138	C	C	.	.	H	α-helix	trans	-67	-43.6	-173.8	-76	-27.1	0	0	0	111.5	V290 L467 M468 T473 S474 V475	V290-N471 HydrophobicContact CG1-CB 4.37Å; V290-N471 HydrophobicContact CG2-CB 3.5Å; V290-N471 VanDerWaalsContact CG2-ND2 3.34Å; V290-N471 WeakPolarHBondContact CG2-ND2 3.3Å; L467-N471 WeakPolarHBondContact CD1-ND2 3.37Å; L467-N471 WeakPolarHBondContact CG-ND2 3.38Å; L467-N471 WeakPolarHBondContact O-CB 3.28Å; L467-N471 VanDerWaalsContact O-CG 3.27Å; L467-N471 PolarHBondContact O-N 3.46Å; L467-N471 PolarHBondContact O-ND2 3.23Å; M468-N471 PolarHBondContact O-N 2.85Å; N471-T473 VanDerWaalsContact C-N 3.33Å; N471-T473 PolarHBondContact O-N 3.15Å; N471-S474 PolarHBondContact O-N 3.29Å; N471-V475 VanDerWaalsContact O-CG2 3.3Å; N471-V475 WeakPolarHBondContact O-CG2 3.47Å; N471-V475 PolarHBondContact O-N 3.49Å
472	I	87.7	Confident	86	Confident	6 Å²	6	24.4 Å²	24.4	3%	0.031	13%	0.13	C	C	.	.	H	α-helix	trans	-63.3	-43.2	178.4	-64.1	166	0	0	0	109.9	I293 F301 M468 S474 V475 I476 L660	I293-I472 HydrophobicContact CD1-CG1 3.79Å; I293-I472 HydrophobicContact CG2-CG1 4.38Å; F301-I472 HydrophobicContact CB-CG2 4.3Å; F301-I472 HydrophobicContact CD1-CB 4.16Å; F301-I472 HydrophobicContact CD1-CG2 3.23Å; F301-I472 HydrophobicContact CD2-CD1 4.49Å; F301-I472 HydrophobicContact CE1-CB 3.95Å; F301-I472 HydrophobicContact CE1-CD1 4.49Å; F301-I472 HydrophobicContact CE1-CG2 3.52Å; F301-I472 HydrophobicContact CE2-CD1 4.43Å; F301-I472 HydrophobicContact CG-CG2 3.91Å; F301-I472 HydrophobicContact CZ-CD1 4.41Å; F301-I472 HydrophobicContact CZ-CG2 4.42Å; M468-I472 HydrophobicContact CB-CD1 4.19Å; M468-I472 VanDerWaalsContact O-CB 3.24Å; M468-I472 WeakPolarHBondContact O-CB 3.5Å; M468-I472 WeakPolarHBondContact O-CD1 3.44Å; M468-I472 WeakPolarHBondContact O-CG1 3.35Å; M468-I472 PolarHBondContact O-N 3.22Å; M468-I472 HydrophobicContact SD-CD1 4.48Å; I472-S474 VanDerWaalsContact C-N 3.34Å; I472-S474 PolarHBondContact O-N 3Å; I472-V475 PolarHBondContact O-N 2.88Å; I472-I476 HydrophobicContact CG2-CD1 3.62Å; I472-I476 HydrophobicContact CG2-CG1 4.21Å; I472-I476 WeakPolarHBondContact O-CD1 3.22Å; I472-I476 VanDerWaalsContact O-CG1 3.23Å; I472-I476 WeakPolarHBondContact O-CG1 3.48Å; I472-I476 PolarHBondContact O-N 3.4Å; I472-L660 HydrophobicContact CD1-CD1 3.66Å; I472-L660 HydrophobicContact CD1-CD2 4.45Å; I472-L660 HydrophobicContact CD1-CG 4.5Å
473	T	88.3	Confident	85.5	Confident	5 Å²	5	28.6 Å²	28.6	3%	0.031	15%	0.148	C	C	.	.	H	α-helix	trans	-57.2	-48.1	174.7	-56.9	0	0	0	0	111.5	D469 Q470 N471 V475 I476 I477 A514 T516	D469-T473 VanDerWaalsContact O-CB 3.23Å; D469-T473 WeakPolarHBondContact O-CB 3.49Å; D469-T473 PolarHBondContact O-N 3.28Å; D469-T473 PolarHBondContact O-OG1 2.94Å; Q470-T473 PolarHBondContact O-N 3.24Å; N471-T473 VanDerWaalsContact C-N 3.33Å; N471-T473 PolarHBondContact O-N 3.15Å; T473-V475 VanDerWaalsContact C-N 3.34Å; T473-V475 PolarHBondContact O-N 3.17Å; T473-I476 PolarHBondContact O-N 2.97Å; T473-I477 HydrophobicContact CG2-CD1 3.95Å; T473-I477 WeakPolarHBondContact O-CG1 3.34Å; T473-I477 PolarHBondContact O-N 2.97Å; T473-I477 VanDerWaalsContact O-N 3.15Å; T473-A514 HydrophobicContact CG2-CB 4.23Å; T473-T516 HydrophobicContact CG2-CG2 4.25Å; T473-T516 WeakPolarHBondContact OG1-CG2 3.26Å
474	S	89.3	Confident	85	Confident	8 Å²	8	30.7 Å²	30.7	6%	0.056	16%	0.159	C	C	.	.	H	α-helix	trans	-63.5	-37	178.9	-69.9	0	0	0	0	112.2	Q470 N471 I472 N478 Y490	Q470-S474 PolarHBondContact NE2-OG 2.94Å; Q470-S474 PolarHBondContact O-N 3.32Å; Q470-S474 PolarHBondContact O-OG 2.99Å; N471-S474 PolarHBondContact O-N 3.29Å; I472-S474 VanDerWaalsContact C-N 3.34Å; I472-S474 PolarHBondContact O-N 3Å; S474-N478 VanDerWaalsContact O-CB 3.22Å; S474-N478 WeakPolarHBondContact O-CB 3.37Å; S474-N478 PolarHBondContact O-N 3.44Å; S474-N478 PolarHBondContact O-ND2 3.19Å; S474-Y490 VanDerWaalsContact CB-CE1 3.48Å
475	V	87.5	Confident	84.5	Confident	17 Å²	17	35.1 Å²	35.1	10%	0.103	18%	0.178	C	C	.	.	H	α-helix	trans	-68.3	-43.8	175.9	-178.9	0	0	0	0	111.8	V290 E298 N471 I472 T473 I477 N478 R479 Y490	V290-V475 HydrophobicContact CG1-CG2 3.02Å; E298-V475 HydrophobicContact CG-CG1 4.13Å; E298-V475 WeakPolarHBondContact OE1-CG1 3.32Å; N471-V475 VanDerWaalsContact O-CG2 3.3Å; N471-V475 WeakPolarHBondContact O-CG2 3.47Å; N471-V475 PolarHBondContact O-N 3.49Å; I472-V475 PolarHBondContact O-N 2.88Å; T473-V475 VanDerWaalsContact C-N 3.34Å; T473-V475 PolarHBondContact O-N 3.17Å; V475-I477 PolarHBondContact O-N 2.94Å; V475-N478 CarbonylContact O-C 3.6Å; V475-N478 PolarHBondContact O-N 3.47Å; V475-N478 VanDerWaalsContact O-N 3.11Å; V475-R479 PolarHBondContact O-N 2.97Å; V475-Y490 HydrophobicContact CG2-CE1 3.79Å
476	I	87.4	Confident	84.4	Confident	4 Å²	4	35.9 Å²	35.9	2%	0.021	18%	0.181	C	C	.	.	H	α-helix	trans	-57.2	-40.3	178.4	-70	162.7	0	0	0	110.9	E298 F301 A302 I472 T473 R479 L520	E298-I476 HydrophobicContact CB-CG1 3.93Å; E298-I476 HydrophobicContact CG-CG1 4.23Å; F301-I476 HydrophobicContact CD1-CD1 4Å; A302-I476 HydrophobicContact CB-CD1 3.95Å; I472-I476 HydrophobicContact CG2-CD1 3.62Å; I472-I476 HydrophobicContact CG2-CG1 4.21Å; I472-I476 WeakPolarHBondContact O-CD1 3.22Å; I472-I476 VanDerWaalsContact O-CG1 3.23Å; I472-I476 WeakPolarHBondContact O-CG1 3.48Å; I472-I476 PolarHBondContact O-N 3.4Å; T473-I476 PolarHBondContact O-N 2.97Å; I476-R479 WeakPolarHBondContact O-CG 3.45Å; I476-L520 HydrophobicContact CG2-CD1 4.25Å; I476-L520 HydrophobicContact CG2-CD2 3.44Å; I476-L520 VanDerWaalsContact CG2-CD2 3.44Å; I476-L520 HydrophobicContact CG2-CG 4.12Å
477	I	87.6	Confident	83.9	Confident	42 Å²	42	39.8 Å²	39.8	22%	0.215	20%	0.199	C	C	.	.	H	α-helix	trans	-73.4	-41.4	177.5	-61.5	162.8	0	0	0	110.8	T473 V475 R479 N482 L484	T473-I477 HydrophobicContact CG2-CD1 3.95Å; T473-I477 WeakPolarHBondContact O-CG1 3.34Å; T473-I477 PolarHBondContact O-N 2.97Å; T473-I477 VanDerWaalsContact O-N 3.15Å; V475-I477 PolarHBondContact O-N 2.94Å; I477-R479 PolarHBondContact O-N 3.35Å; I477-N482 PolarHBondContact O-ND2 2.72Å; I477-L484 HydrophobicContact CG2-CD1 4.45Å; I477-L484 VanDerWaalsContact O-CD1 3.25Å; I477-L484 WeakPolarHBondContact O-CD1 3.26Å
478	N	84.9	Confident	83.5	Confident	50 Å²	50	42 Å²	42	27%	0.267	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	23.6	-177.4	-67.2	-34	0	0	0	114.2	S474 V475 F488	S474-N478 VanDerWaalsContact O-CB 3.22Å; S474-N478 WeakPolarHBondContact O-CB 3.37Å; S474-N478 PolarHBondContact O-N 3.44Å; S474-N478 PolarHBondContact O-ND2 3.19Å; V475-N478 CarbonylContact O-C 3.6Å; V475-N478 PolarHBondContact O-N 3.47Å; V475-N478 VanDerWaalsContact O-N 3.11Å; N478-F488 VanDerWaalsContact ND2-CB 3.34Å; N478-F488 WeakPolarHBondContact ND2-CB 3.34Å
479	R	80.6	Confident	83.6	Confident	26 Å²	26	40.5 Å²	40.5	10%	0.098	20%	0.201	C	C	.	.			trans	-59.8	140.7	174.7	-79.3	-177.7	175.7	175.7	6	111.2	E298 E299 V475 I476 I477 E481 N482	E298-R479 VanDerWaalsContact CB-NH2 3.28Å; E298-R479 IonicContact OE2-CZ 3.41Å; E298-R479 IonicContact OE2-NE 2.77Å; E298-R479 PolarHBondContact OE2-NE 2.89Å; E298-R479 IonicContact OE2-NH2 2.68Å; E298-R479 PolarHBondContact OE2-NH2 3.29Å; E299-R479 IonicContact OE1-NH1 2.71Å; V475-R479 PolarHBondContact O-N 2.97Å; I476-R479 WeakPolarHBondContact O-CG 3.45Å; I477-R479 PolarHBondContact O-N 3.35Å; R479-E481 HydrophobicContact CB-CB 4.44Å; R479-E481 PolarHBondContact O-N 3.27Å; R479-E481 VanDerWaalsContact O-N 3.11Å; R479-N482 WeakPolarHBondContact O-CB 3.48Å; R479-N482 PolarHBondContact O-N 2.97Å
480	P	73.5	Confident	83.8	Confident	90 Å²	90	40.9 Å²	40.9	58%	0.584	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-60.7	-25.9	176.1	25.2	-33.8	0	0	0	111.9	N482 K483	P480-N482 PolarHBondContact O-N 3.34Å; P480-K483 PolarHBondContact O-N 2.96Å
481	E	75.4	Confident	83.9	Confident	79 Å²	79	40 Å²	40	37%	0.369	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-60	-29.3	174.7	-58.3	-175.5	149.8	0	0	113.2	R295 R479 K483 F541 Q600	R295-E481 IonicContact CZ-OE1 3.21Å; R295-E481 IonicContact CZ-OE2 3.93Å; R295-E481 IonicContact NH1-OE1 2.73Å; R295-E481 PolarHBondContact NH1-OE1 3.15Å; R295-E481 IonicContact NH2-OE1 3.04Å; R295-E481 PolarHBondContact NH2-OE1 2.89Å; R295-E481 IonicContact NH2-OE2 3.01Å; R295-E481 PolarHBondContact NH2-OE2 2.83Å; R479-E481 HydrophobicContact CB-CB 4.44Å; R479-E481 PolarHBondContact O-N 3.27Å; R479-E481 VanDerWaalsContact O-N 3.11Å; E481-K483 VanDerWaalsContact C-N 3.25Å; E481-K483 PolarHBondContact O-N 3.28Å; E481-F541 WeakPolarHBondContact O-CE1 3.48Å; E481-Q600 PolarHBondContact OE1-NE2 3.11Å
482	N	80.2	Confident	84	Confident	38 Å²	38	41.7 Å²	41.7	20%	0.203	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-77.7	-8.8	178.5	-77.4	-15.4	0	0	0	112.7	I477 R479 P480 L484 L544	I477-N482 PolarHBondContact O-ND2 2.72Å; R479-N482 WeakPolarHBondContact O-CB 3.48Å; R479-N482 PolarHBondContact O-N 2.97Å; P480-N482 PolarHBondContact O-N 3.34Å; N482-L484 HydrophobicContact CB-CD1 4.23Å; N482-L484 HydrophobicContact CB-CG 4.15Å; N482-L484 PolarHBondContact O-N 2.95Å; N482-L484 VanDerWaalsContact O-N 3.13Å; N482-L544 HydrophobicContact CB-CD1 3.52Å; N482-L544 WeakPolarHBondContact O-CD1 3.47Å
483	K	77	Confident	84.2	Confident	89 Å²	89	43.2 Å²	43.2	39%	0.387	22%	0.215	S	C	.	.			trans	48.5	40.7	177.1	-59.9	178.5	177.3	177.2	0	113.1	P480 E481 F541 L542	P480-K483 PolarHBondContact O-N 2.96Å; E481-K483 VanDerWaalsContact C-N 3.25Å; E481-K483 PolarHBondContact O-N 3.28Å; K483-F541 HydrophobicContact CD-CD1 4.5Å; K483-F541 PolarHBondContact NZ-O 3.02Å; K483-L542 VanDerWaalsContact CD-O 3.28Å; K483-L542 WeakPolarHBondContact CD-O 3.49Å
484	L	82.4	Confident	84.4	Confident	45 Å²	45	43 Å²	43	24%	0.236	21%	0.214	C	C	.	.			trans	-66.8	133.7	175.1	-66.3	160	0	0	0	108.9	I477 N482 L544 E546	I477-L484 HydrophobicContact CG2-CD1 4.45Å; I477-L484 VanDerWaalsContact O-CD1 3.25Å; I477-L484 WeakPolarHBondContact O-CD1 3.26Å; N482-L484 HydrophobicContact CB-CD1 4.23Å; N482-L484 HydrophobicContact CB-CG 4.15Å; N482-L484 PolarHBondContact O-N 2.95Å; N482-L484 VanDerWaalsContact O-N 3.13Å; L484-L544 HydrophobicContact CD2-CB 4.07Å; L484-L544 HydrophobicContact CD2-CD1 4.25Å; L484-E546 WeakPolarHBondContact CA-OE1 3.4Å; L484-E546 VanDerWaalsContact CD2-CD 3.44Å; L484-E546 HydrophobicContact CD2-CG 3.47Å; L484-E546 VanDerWaalsContact CD2-CG 3.47Å
485	Q	77.3	Confident	84.7	Confident	155 Å²	155	44 Å²	44	72%	0.724	22%	0.218	S	C	*	.			trans	-92.3	-32.4	179.9	-61.9	-173.6	-3.4	0	0	111.4	E546	Q485-E546 PolarHBondContact N-OE1 3.34Å
486	K	83.6	Confident	85	Confident	24 Å²	24	46.4 Å²	46.4	10%	0.104	23%	0.233	C	C	.	.	S	Bend	trans	-85.8	135.5	-179.5	-47.5	173.9	-179	173.4	0	108.8	W188 S191 D192 D195 E546	W188-K486 HydrophobicContact CB-CD 4.22Å; W188-K486 HydrophobicContact CB-CG 4.33Å; W188-K486 HydrophobicContact CD2-CG 4.14Å; W188-K486 HydrophobicContact CE3-CG 4.13Å; W188-K486 HydrophobicContact CG-CB 4.39Å; W188-K486 HydrophobicContact CG-CG 4.24Å; S191-K486 VanDerWaalsContact OG-CE 3.27Å; S191-K486 WeakPolarHBondContact OG-CE 3.48Å; S191-K486 PolarHBondContact OG-NZ 3.16Å; S191-K486 VanDerWaalsContact OG-NZ 3.16Å; D192-K486 WeakPolarHBondContact OD1-CD 3.39Å; D192-K486 WeakPolarHBondContact OD1-CE 3.33Å; D192-K486 IonicContact OD1-NZ 3.87Å; D192-K486 PolarHBondContact OD1-NZ 3.37Å; D195-K486 WeakPolarHBondContact OD2-CE 3.34Å; D195-K486 IonicContact OD2-NZ 3.25Å; D195-K486 PolarHBondContact OD2-NZ 3.36Å; K486-E546 WeakPolarHBondContact CB-OE2 3.2Å; K486-E546 HydrophobicContact CD-CB 3.86Å; K486-E546 HydrophobicContact CG-CB 4.48Å; K486-E546 WeakPolarHBondContact CG-OE2 3.42Å; K486-E546 PolarHBondContact N-OE1 3.37Å; K486-E546 VanDerWaalsContact N-OE1 3.15Å; K486-E546 PolarHBondContact N-OE2 3.01Å; K486-E546 PolarHBondContact NZ-O 3.43Å
487	H	77.8	Confident	85.2	Confident	82 Å²	82	46.5 Å²	46.5	38%	0.38	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-67.7	155.9	-176.6	-64.8	-91.7	0	0	0	112.4	I184	I184-H487 HydrophobicContact CG2-CB 3.43Å; I184-H487 VanDerWaalsContact CG2-CB 3.43Å; I184-H487 VanDerWaalsContact CG2-CD2 3.49Å; I184-H487 WeakPolarHBondContact CG2-CD2 3.3Å
488	F	81.9	Confident	85.5	Confident	60 Å²	60	44.5 Å²	44.5	26%	0.263	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-73.2	166.8	177.1	56.9	-102.8	0	0	0	112.7	L168 N478 Y490	L168-F488 HydrophobicContact CD1-CE2 4.47Å; L168-F488 HydrophobicContact CD2-CD2 4.41Å; L168-F488 HydrophobicContact CD2-CE2 3.54Å; L168-F488 HydrophobicContact CD2-CZ 4.17Å; L168-F488 HydrophobicContact CG-CE2 3.79Å; L168-F488 HydrophobicContact CG-CZ 3.92Å; N478-F488 VanDerWaalsContact ND2-CB 3.34Å; N478-F488 WeakPolarHBondContact ND2-CB 3.34Å; F488-Y490 HydrophobicContact CB-CD2 4.28Å; F488-Y490 HydrophobicContact CB-CE2 3.81Å; F488-Y490 HydrophobicContact CD1-CE2 4.13Å; F488-Y490 AromaticContact CD2-CD2 3.28Å; F488-Y490 HydrophobicContact CD2-CD2 3.28Å; F488-Y490 AromaticContact CD2-CE2 3.16Å; F488-Y490 HydrophobicContact CD2-CE2 3.16Å; F488-Y490 AromaticContact CE2-CD2 3.79Å; F488-Y490 HydrophobicContact CE2-CD2 3.79Å; F488-Y490 AromaticContact CE2-CE2 3.67Å; F488-Y490 HydrophobicContact CE2-CE2 3.67Å; F488-Y490 AromaticContact CG-CD2 3.97Å; F488-Y490 HydrophobicContact CG-CD2 3.97Å; F488-Y490 AromaticContact CG-CE2 3.42Å; F488-Y490 HydrophobicContact CG-CE2 3.42Å; F488-Y490 VanDerWaalsContact CG-CE2 3.42Å; F488-Y490 HydrophobicContact CZ-CE2 4.33Å
489	G	88.3	Confident	86	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.231	C	C	.	.			trans	-151.5	69.5	175.9	0	0	0	0	0	112.7	D181 H491 L492 D493	D181-G489 WeakPolarHBondContact OD2-CA 3.48Å; G489-H491 PolarHBondContact O-N 2.97Å; G489-L492 PolarHBondContact O-N 2.86Å; G489-D493 PolarHBondContact O-N 2.9Å
490	Y	89.7	Confident	86.5	Confident	14 Å²	14	47.8 Å²	47.8	6%	0.055	24%	0.241	C	C	.	.	H	α-helix	trans	-63	-39.8	-174.9	-61.9	-83.5	0	0	0	113.2	L168 D181 V290 S474 V475 F488 L494	L168-Y490 HydrophobicContact CD1-CD2 3.92Å; L168-Y490 HydrophobicContact CD1-CE2 3.69Å; L168-Y490 HydrophobicContact CD2-CD2 3.87Å; L168-Y490 HydrophobicContact CD2-CE2 4.3Å; L168-Y490 HydrophobicContact CG-CD2 4.39Å; L168-Y490 HydrophobicContact CG-CE2 4.35Å; D181-Y490 PolarHBondContact OD2-N 3.28Å; V290-Y490 HydrophobicContact CG1-CD1 4.36Å; V290-Y490 HydrophobicContact CG1-CE1 4.03Å; S474-Y490 VanDerWaalsContact CB-CE1 3.48Å; V475-Y490 HydrophobicContact CG2-CE1 3.79Å; F488-Y490 HydrophobicContact CB-CD2 4.28Å; F488-Y490 HydrophobicContact CB-CE2 3.81Å; F488-Y490 HydrophobicContact CD1-CE2 4.13Å; F488-Y490 AromaticContact CD2-CD2 3.28Å; F488-Y490 HydrophobicContact CD2-CD2 3.28Å; F488-Y490 AromaticContact CD2-CE2 3.16Å; F488-Y490 HydrophobicContact CD2-CE2 3.16Å; F488-Y490 AromaticContact CE2-CD2 3.79Å; F488-Y490 HydrophobicContact CE2-CD2 3.79Å; F488-Y490 AromaticContact CE2-CE2 3.67Å; F488-Y490 HydrophobicContact CE2-CE2 3.67Å; F488-Y490 AromaticContact CG-CD2 3.97Å; F488-Y490 HydrophobicContact CG-CD2 3.97Å; F488-Y490 AromaticContact CG-CE2 3.42Å; F488-Y490 HydrophobicContact CG-CE2 3.42Å; F488-Y490 VanDerWaalsContact CG-CE2 3.42Å; F488-Y490 HydrophobicContact CZ-CE2 4.33Å; Y490-L494 WeakPolarHBondContact O-CB 3.23Å; Y490-L494 PolarHBondContact O-N 2.94Å; Y490-L494 VanDerWaalsContact O-N 3.1Å
491	H	92	Very high	87.4	Confident	4 Å²	4	43.5 Å²	43.5	2%	0.019	21%	0.213	C	C	.	.	H	α-helix	trans	-72.6	-36.4	179	-57.1	91.2	0	0	0	110.9	L178 D181 V282 G489 M495	L178-H491 HydrophobicContact CB-CB 4.27Å; L178-H491 HydrophobicContact CD1-CB 4.47Å; D181-H491 IonicContact OD1-ND1 2.75Å; D181-H491 WeakPolarHBondContact OD2-CA 3.12Å; D181-H491 VanDerWaalsContact OD2-CB 3.27Å; D181-H491 WeakPolarHBondContact OD2-CB 3.41Å; D181-H491 IonicContact OD2-CG 3.74Å; D181-H491 PolarHBondContact OD2-N 3.35Å; D181-H491 IonicContact OD2-ND1 3.93Å; D181-H491 PolarHBondContact OD2-ND1 3.38Å; V282-H491 HydrophobicContact CG1-CB 4.2Å; G489-H491 PolarHBondContact O-N 2.97Å; H491-M495 VanDerWaalsContact O-CB 3.3Å; H491-M495 WeakPolarHBondContact O-CB 3.41Å; H491-M495 PolarHBondContact O-N 3.45Å
492	L	92	Very high	88.3	Confident	38 Å²	38	40.8 Å²	40.8	20%	0.199	20%	0.204	C	C	.	.	H	α-helix	trans	-62.7	-49	174.3	-179.5	67.6	0	0	0	111.1	L178 D181 V182 K185 G489 L494 M495 V496	L178-L492 HydrophobicContact CD1-CB 4.27Å; L178-L492 HydrophobicContact CD1-CD1 4.16Å; D181-L492 HydrophobicContact CB-CB 4.15Å; D181-L492 PolarHBondContact OD2-N 3.5Å; V182-L492 HydrophobicContact CG2-CD1 3.78Å; K185-L492 HydrophobicContact CD-CD2 3.79Å; G489-L492 PolarHBondContact O-N 2.86Å; L492-L494 VanDerWaalsContact C-N 3.3Å; L492-L494 PolarHBondContact O-N 2.88Å; L492-M495 PolarHBondContact O-N 2.89Å; L492-V496 HydrophobicContact CD1-CG2 4.48Å; L492-V496 WeakPolarHBondContact O-CG2 3.3Å; L492-V496 PolarHBondContact O-N 3.43Å
493	D	91.9	Very high	88.8	Confident	38 Å²	38	43 Å²	43	20%	0.203	22%	0.215	C	C	.	.	H	α-helix	trans	-61.3	-42.3	-179	-62.9	-11.4	0	0	0	110.2	K185 G489 V496 I497	K185-D493 IonicContact NZ-OD1 3.05Å; K185-D493 PolarHBondContact NZ-OD1 3.06Å; K185-D493 VanDerWaalsContact NZ-OD1 3.13Å; G489-D493 PolarHBondContact O-N 2.9Å; D493-V496 PolarHBondContact O-N 3.23Å; D493-I497 VanDerWaalsContact O-CG1 3.29Å; D493-I497 WeakPolarHBondContact O-CG1 3.42Å; D493-I497 PolarHBondContact O-N 2.97Å; D493-I497 VanDerWaalsContact O-N 3.07Å
494	L	92.5	Very high	89.3	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-65.9	-38.8	176.4	-164.6	65.1	0	0	0	113.1	L278 L281 V282 L467 Y490 L492 I497 A498	L278-L494 HydrophobicContact CD2-CD1 3.83Å; L278-L494 HydrophobicContact CD2-CG 4.34Å; L281-L494 HydrophobicContact CB-CD2 4.47Å; V282-L494 HydrophobicContact CG2-CB 3.82Å; V282-L494 HydrophobicContact CG2-CD2 3.68Å; V282-L494 HydrophobicContact CG2-CG 3.86Å; L467-L494 HydrophobicContact CD1-CD1 4.01Å; L467-L494 HydrophobicContact CD1-CD2 3.42Å; L467-L494 VanDerWaalsContact CD1-CD2 3.42Å; L467-L494 HydrophobicContact CD1-CG 4.38Å; Y490-L494 WeakPolarHBondContact O-CB 3.23Å; Y490-L494 PolarHBondContact O-N 2.94Å; Y490-L494 VanDerWaalsContact O-N 3.1Å; L492-L494 VanDerWaalsContact C-N 3.3Å; L492-L494 PolarHBondContact O-N 2.88Å; L494-I497 PolarHBondContact O-N 3.36Å; L494-A498 WeakPolarHBondContact O-CB 3.47Å; L494-A498 PolarHBondContact O-N 3.09Å
495	M	95	Very high	89.7	Confident	28 Å²	28	37.1 Å²	37.1	14%	0.138	19%	0.189	C	C	.	.	H	α-helix	trans	-64.4	-43.5	175.9	177.7	57.9	79.2	0	0	111.4	F175 L178 I279 V282 H491 L492 I497 A498 I499	F175-M495 HydrophobicContact CD1-CE 4.13Å; F175-M495 HydrophobicContact CE1-CE 3.63Å; L178-M495 HydrophobicContact CD1-CB 3.9Å; L178-M495 HydrophobicContact CD1-CG 4.26Å; L178-M495 HydrophobicContact CD2-CB 4.45Å; L178-M495 HydrophobicContact CD2-CE 3.63Å; L178-M495 HydrophobicContact CD2-CG 4.12Å; I279-M495 HydrophobicContact CG1-CE 4.4Å; I279-M495 HydrophobicContact CG1-SD 4.18Å; I279-M495 HydrophobicContact CG2-CE 4.41Å; V282-M495 HydrophobicContact CB-CE 4.37Å; V282-M495 HydrophobicContact CG1-CE 3.93Å; V282-M495 HydrophobicContact CG2-CB 4.42Å; H491-M495 VanDerWaalsContact O-CB 3.3Å; H491-M495 WeakPolarHBondContact O-CB 3.41Å; H491-M495 PolarHBondContact O-N 3.45Å; L492-M495 PolarHBondContact O-N 2.89Å; M495-I497 VanDerWaalsContact C-N 3.3Å; M495-I497 PolarHBondContact O-N 3.17Å; M495-A498 PolarHBondContact O-N 2.75Å; M495-I499 HydrophobicContact CG-CD1 4.17Å; M495-I499 WeakPolarHBondContact O-CG1 3.47Å; M495-I499 PolarHBondContact O-N 3Å; M495-I499 VanDerWaalsContact O-N 3.07Å; M495-I499 HydrophobicContact SD-CD1 4.19Å; M495-I499 HydrophobicContact SD-CG1 4.37Å
496	V	93.4	Very high	90.2	Very high	69 Å²	69	33.8 Å²	33.8	42%	0.418	17%	0.172	S	C	.	.	H	α-helix	trans	-60.4	-43.4	176.1	171.6	0	0	0	0	110.4	L492 D493 I499 L500	L492-V496 HydrophobicContact CD1-CG2 4.48Å; L492-V496 WeakPolarHBondContact O-CG2 3.3Å; L492-V496 PolarHBondContact O-N 3.43Å; D493-V496 PolarHBondContact O-N 3.23Å; V496-I499 PolarHBondContact O-N 2.68Å; V496-L500 HydrophobicContact CG1-CD1 3.89Å; V496-L500 HydrophobicContact CG1-CG 4.38Å; V496-L500 WeakPolarHBondContact O-CB 3.14Å; V496-L500 VanDerWaalsContact O-CG 3.31Å; V496-L500 WeakPolarHBondContact O-CG 3.43Å; V496-L500 PolarHBondContact O-N 3.35Å
497	I	92.2	Very high	90.3	Very high	5 Å²	5	35.2 Å²	35.2	3%	0.026	18%	0.18	C	C	.	.	H	α-helix	trans	-64.6	-42.1	177.4	-69	171.7	0	0	0	111.5	L278 I466 Q470 D493 L494 M495 I499 L500 I501 Y512	L278-I497 HydrophobicContact CD1-CG2 4.32Å; I466-I497 HydrophobicContact CG2-CG2 3.82Å; Q470-I497 HydrophobicContact CB-CD1 4.05Å; Q470-I497 HydrophobicContact CG-CD1 3.55Å; D493-I497 VanDerWaalsContact O-CG1 3.29Å; D493-I497 WeakPolarHBondContact O-CG1 3.42Å; D493-I497 PolarHBondContact O-N 2.97Å; D493-I497 VanDerWaalsContact O-N 3.07Å; L494-I497 PolarHBondContact O-N 3.36Å; M495-I497 VanDerWaalsContact C-N 3.3Å; M495-I497 PolarHBondContact O-N 3.17Å; I497-I499 VanDerWaalsContact C-N 3.3Å; I497-I499 PolarHBondContact O-N 2.9Å; I497-L500 PolarHBondContact O-N 3.44Å; I497-I501 HydrophobicContact CG2-CD1 3.53Å; I497-I501 HydrophobicContact CG2-CG1 4.19Å; I497-I501 WeakPolarHBondContact O-CB 2.97Å; I497-I501 VanDerWaalsContact O-CG1 3.26Å; I497-I501 WeakPolarHBondContact O-CG1 3.43Å; I497-I501 PolarHBondContact O-N 3.49Å; I497-Y512 HydrophobicContact CD1-CD1 4.49Å; I497-Y512 HydrophobicContact CD1-CE1 4.5Å; I497-Y512 HydrophobicContact CG1-CD1 3.93Å; I497-Y512 HydrophobicContact CG1-CE1 4.14Å
498	A	94.9	Very high	90.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-59	-42.2	176.9	0	0	0	0	0	112	S275 L278 I279 L494 M495 A502	S275-A498 WeakPolarHBondContact CB-O 3.43Å; S275-A498 PolarHBondContact OG-O 3.49Å; L278-A498 HydrophobicContact CB-CB 3.72Å; L278-A498 HydrophobicContact CD1-CB 4.27Å; I279-A498 HydrophobicContact CG1-CB 3.89Å; L494-A498 WeakPolarHBondContact O-CB 3.47Å; L494-A498 PolarHBondContact O-N 3.09Å; M495-A498 PolarHBondContact O-N 2.75Å; A498-A502 PolarHBondContact O-N 2.92Å; A498-A502 VanDerWaalsContact O-N 3.13Å
499	I	95	Very high	90.2	Very high	87 Å²	87	29.6 Å²	29.6	45%	0.446	16%	0.155	S	C	.	.	H	α-helix	trans	-66.3	-46.2	176.1	-65.3	165.6	0	0	0	110.6	M495 V496 I497 I501 A502 I503	M495-I499 HydrophobicContact CG-CD1 4.17Å; M495-I499 WeakPolarHBondContact O-CG1 3.47Å; M495-I499 PolarHBondContact O-N 3Å; M495-I499 VanDerWaalsContact O-N 3.07Å; M495-I499 HydrophobicContact SD-CD1 4.19Å; M495-I499 HydrophobicContact SD-CG1 4.37Å; V496-I499 PolarHBondContact O-N 2.68Å; I497-I499 VanDerWaalsContact C-N 3.3Å; I497-I499 PolarHBondContact O-N 2.9Å; I499-I501 VanDerWaalsContact C-N 3.33Å; I499-I501 PolarHBondContact O-N 3.5Å; I499-A502 WeakPolarHBondContact O-CB 3.34Å; I499-A502 PolarHBondContact O-N 3.45Å; I499-I503 HydrophobicContact CG2-CD1 3.98Å; I499-I503 WeakPolarHBondContact O-CG1 3.23Å; I499-I503 PolarHBondContact O-N 2.81Å
500	L	91.6	Very high	89.8	Confident	59 Å²	59	29.7 Å²	29.7	31%	0.309	16%	0.156	S	C	.	.	H	α-helix	trans	-61.5	-40.7	178.5	-73.6	171.9	0	0	0	112	V496 I497 I503 C504 Y512	V496-L500 HydrophobicContact CG1-CD1 3.89Å; V496-L500 HydrophobicContact CG1-CG 4.38Å; V496-L500 WeakPolarHBondContact O-CB 3.14Å; V496-L500 VanDerWaalsContact O-CG 3.31Å; V496-L500 WeakPolarHBondContact O-CG 3.43Å; V496-L500 PolarHBondContact O-N 3.35Å; I497-L500 PolarHBondContact O-N 3.44Å; L500-I503 PolarHBondContact O-N 3.38Å; L500-C504 WeakPolarHBondContact O-CB 3.29Å; L500-C504 PolarHBondContact O-N 3.49Å; L500-C504 PolarHBondContact O-SG 3Å; L500-Y512 HydrophobicContact CD1-CD1 4.15Å; L500-Y512 HydrophobicContact CD1-CE1 4.43Å; L500-Y512 HydrophobicContact CD1-CG 4.18Å
501	I	92	Very high	89.5	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.8	-42.7	175.8	-70.8	164	0	0	0	110.7	G271 T274 L278 I466 I497 I499 I503 C504 S505 F511	G271-I501 WeakPolarHBondContact O-CG2 3.36Å; T274-I501 WeakPolarHBondContact OG1-CG2 3.45Å; L278-I501 HydrophobicContact CD1-CD1 3.65Å; I466-I501 HydrophobicContact CD1-CD1 3.61Å; I466-I501 HydrophobicContact CG2-CD1 4.34Å; I497-I501 HydrophobicContact CG2-CD1 3.53Å; I497-I501 HydrophobicContact CG2-CG1 4.19Å; I497-I501 WeakPolarHBondContact O-CB 2.97Å; I497-I501 VanDerWaalsContact O-CG1 3.26Å; I497-I501 WeakPolarHBondContact O-CG1 3.43Å; I497-I501 PolarHBondContact O-N 3.49Å; I499-I501 VanDerWaalsContact C-N 3.33Å; I499-I501 PolarHBondContact O-N 3.5Å; I501-I503 VanDerWaalsContact C-N 3.34Å; I501-I503 PolarHBondContact O-N 3.08Å; I501-C504 PolarHBondContact O-N 3.34Å; I501-S505 WeakPolarHBondContact O-CB 3Å; I501-S505 PolarHBondContact O-N 3.01Å; I501-S505 PolarHBondContact O-OG 3.39Å; I501-F511 HydrophobicContact CG2-CD1 4.07Å; I501-F511 HydrophobicContact CG2-CE1 4.35Å
502	A	93.3	Very high	89.1	Confident	21 Å²	21	32.5 Å²	32.5	17%	0.174	17%	0.167	C	C	.	.	H	α-helix	trans	-59.5	-46.1	176	0	0	0	0	0	111.3	A498 I499 S505 F506	A498-A502 PolarHBondContact O-N 2.92Å; A498-A502 VanDerWaalsContact O-N 3.13Å; I499-A502 WeakPolarHBondContact O-CB 3.34Å; I499-A502 PolarHBondContact O-N 3.45Å; A502-S505 WeakPolarHBondContact O-CB 3.14Å; A502-S505 PolarHBondContact O-N 3.28Å; A502-F506 WeakPolarHBondContact O-CD2 3.08Å; A502-F506 PolarHBondContact O-N 3.31Å; A502-F506 VanDerWaalsContact O-N 3.11Å
503	I	91.1	Very high	88.7	Confident	86 Å²	86	30.9 Å²	30.9	44%	0.441	16%	0.158	S	C	.	.	H	α-helix	trans	-61.4	-47.7	176.7	-64.3	166.8	0	0	0	110.8	I499 L500 I501 S505 F506 M507	I499-I503 HydrophobicContact CG2-CD1 3.98Å; I499-I503 WeakPolarHBondContact O-CG1 3.23Å; I499-I503 PolarHBondContact O-N 2.81Å; L500-I503 PolarHBondContact O-N 3.38Å; I501-I503 VanDerWaalsContact C-N 3.34Å; I501-I503 PolarHBondContact O-N 3.08Å; I503-S505 VanDerWaalsContact C-N 3.25Å; I503-S505 PolarHBondContact O-N 3.04Å; I503-F506 PolarHBondContact O-N 3.47Å; I503-M507 HydrophobicContact CG2-SD 3.86Å; I503-M507 WeakPolarHBondContact O-CG 3.35Å; I503-M507 PolarHBondContact O-N 2.84Å
504	C	87.6	Confident	88.3	Confident	9 Å²	9	29.4 Å²	29.4	6%	0.061	15%	0.152	C	C	.	.	H	α-helix	trans	-62.8	-33.4	178.3	-64.9	0	0	0	0	112	L500 I501 M507 G508 I509 F511	L500-C504 WeakPolarHBondContact O-CB 3.29Å; L500-C504 PolarHBondContact O-N 3.49Å; L500-C504 PolarHBondContact O-SG 3Å; I501-C504 PolarHBondContact O-N 3.34Å; C504-M507 PolarHBondContact O-N 3.03Å; C504-G508 WeakPolarHBondContact O-CA 3.47Å; C504-G508 PolarHBondContact O-N 3.26Å; C504-I509 PolarHBondContact O-N 3.49Å; C504-F511 HydrophobicContact CB-CD1 4.33Å
505	S	89.8	Confident	87.9	Confident	1 Å²	1	30.1 Å²	30.1	1%	0.007	16%	0.157	C	C	.	.	H	α-helix	trans	-65.4	-45	176.6	-56.3	0	0	0	0	111.6	G271 I501 A502 I503 G508 F511	G271-S505 VanDerWaalsContact CA-OG 3.24Å; G271-S505 WeakPolarHBondContact CA-OG 3.5Å; I501-S505 WeakPolarHBondContact O-CB 3Å; I501-S505 PolarHBondContact O-N 3.01Å; I501-S505 PolarHBondContact O-OG 3.39Å; A502-S505 WeakPolarHBondContact O-CB 3.14Å; A502-S505 PolarHBondContact O-N 3.28Å; I503-S505 VanDerWaalsContact C-N 3.25Å; I503-S505 PolarHBondContact O-N 3.04Å; S505-G508 PolarHBondContact O-N 3.48Å; S505-F511 WeakPolarHBondContact OG-CE1 3.46Å
506	F	89.2	Confident	87.4	Confident	84 Å²	84	29.2 Å²	29.2	37%	0.368	15%	0.154	S	C	.	.	H	α-helix	trans	-67.1	-35.7	175.6	-78.1	-67	0	0	0	112.8	L268 L272 F440 L441 A502 I503 G508	L268-F506 HydrophobicContact CD1-CD1 4.25Å; L272-F506 HydrophobicContact CD1-CZ 4.31Å; L272-F506 HydrophobicContact CD2-CD2 4.39Å; L272-F506 HydrophobicContact CD2-CE2 3.74Å; L272-F506 HydrophobicContact CD2-CZ 3.94Å; F440-F506 WeakPolarHBondContact CA-O 3.4Å; F440-F506 HydrophobicContact CD1-CB 4.48Å; L441-F506 PolarHBondContact N-O 2.99Å; A502-F506 WeakPolarHBondContact O-CD2 3.08Å; A502-F506 PolarHBondContact O-N 3.31Å; A502-F506 VanDerWaalsContact O-N 3.11Å; I503-F506 PolarHBondContact O-N 3.47Å; F506-G508 VanDerWaalsContact C-N 3.33Å
507	M	84.9	Confident	86.9	Confident	55 Å²	55	26.1 Å²	26.1	27%	0.271	13%	0.134	S	C	.	.	H	α-helix	trans	-78.7	-17.6	177.7	-63.5	178.8	77.1	0	0	113	R437 W439 F440 I503 C504 I509	R437-M507 PolarHBondContact NH1-O 3.36Å; R437-M507 VanDerWaalsContact NH1-O 3.13Å; R437-M507 PolarHBondContact NH2-O 3.39Å; W439-M507 HydrophobicContact CE3-CE 4.23Å; W439-M507 CarbonylContact O-C 3.52Å; W439-M507 VanDerWaalsContact O-CA 3.23Å; W439-M507 WeakPolarHBondContact O-CA 3.32Å; F440-M507 HydrophobicContact CE1-CG 4.45Å; I503-M507 HydrophobicContact CG2-SD 3.86Å; I503-M507 WeakPolarHBondContact O-CG 3.35Å; I503-M507 PolarHBondContact O-N 2.84Å; C504-M507 PolarHBondContact O-N 3.03Å; M507-I509 VanDerWaalsContact C-N 3.34Å; M507-I509 HydrophobicContact CB-CB 4.46Å; M507-I509 HydrophobicContact CB-CD1 3.81Å; M507-I509 HydrophobicContact CB-CG1 3.88Å; M507-I509 HydrophobicContact CE-CD1 3.68Å; M507-I509 HydrophobicContact SD-CD1 4.2Å
508	G	79	Confident	86.6	Confident	1 Å²	1	26.3 Å²	26.3	1%	0.01	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	38.5	-172	0	0	0	0	0	112.7	R437 C504 S505 F506	R437-G508 PolarHBondContact NH2-O 3.27Å; C504-G508 WeakPolarHBondContact O-CA 3.47Å; C504-G508 PolarHBondContact O-N 3.26Å; S505-G508 PolarHBondContact O-N 3.48Å; F506-G508 VanDerWaalsContact C-N 3.33Å
509	I	79.7	Confident	86.2	Confident	23 Å²	23	28 Å²	28	12%	0.118	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-103.3	157.2	177.3	-65.3	176.9	0	0	0	108.2	W439 C504 M507	W439-I509 HydrophobicContact CE3-CD1 4.41Å; W439-I509 HydrophobicContact CZ3-CD1 3.96Å; C504-I509 PolarHBondContact O-N 3.49Å; M507-I509 VanDerWaalsContact C-N 3.34Å; M507-I509 HydrophobicContact CB-CB 4.46Å; M507-I509 HydrophobicContact CB-CD1 3.81Å; M507-I509 HydrophobicContact CB-CG1 3.88Å; M507-I509 HydrophobicContact CE-CD1 3.68Å; M507-I509 HydrophobicContact SD-CD1 4.2Å
510	P	79.2	Confident	85.8	Confident	1 Å²	1	24.7 Å²	24.7	1%	0.006	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-48.6	142	175	-32.6	40.2	0	0	0	113.6	M226 M234 L236 C237	M226-P510 HydrophobicContact CE-CB 4.23Å; M226-P510 HydrophobicContact CE-CG 3.42Å; M226-P510 VanDerWaalsContact CE-CG 3.42Å; M226-P510 HydrophobicContact SD-CG 4.42Å; M234-P510 HydrophobicContact CE-CB 4.39Å; M234-P510 HydrophobicContact CE-CG 3.65Å; M234-P510 HydrophobicContact CG-CG 3.98Å; M234-P510 WeakPolarHBondContact SD-CD 3.49Å; M234-P510 HydrophobicContact SD-CG 3.55Å; M234-P510 VanDerWaalsContact SD-CG 3.55Å; L236-P510 VanDerWaalsContact O-CD 3.28Å; L236-P510 WeakPolarHBondContact O-CD 3.45Å; C237-P510 HydrophobicContact CB-CG 4.29Å
511	F	84.1	Confident	85.4	Confident	4 Å²	4	22.3 Å²	22.3	2%	0.018	12%	0.118	C	C	.	.	P	Polyproline II helix	trans	-72.5	144.3	-178.6	-61.2	-48.1	0	0	0	111.5	R267 F462 I501 C504 S505	R267-F511 HydrophobicContact CG-CE2 4.07Å; R267-F511 HydrophobicContact CG-CZ 3.63Å; F462-F511 HydrophobicContact CE1-CB 4.24Å; F462-F511 AromaticContact CE1-CD2 3.41Å; F462-F511 HydrophobicContact CE1-CD2 3.41Å; F462-F511 VanDerWaalsContact CE1-CD2 3.41Å; F462-F511 AromaticContact CE1-CE2 3.98Å; F462-F511 HydrophobicContact CE1-CE2 3.98Å; F462-F511 HydrophobicContact CE1-CG 4.05Å; F462-F511 HydrophobicContact CZ-CB 4.26Å; F462-F511 AromaticContact CZ-CD2 3.6Å; F462-F511 HydrophobicContact CZ-CD2 3.6Å; F462-F511 HydrophobicContact CZ-CE2 4.4Å; F462-F511 HydrophobicContact CZ-CG 4.33Å; I501-F511 HydrophobicContact CG2-CD1 4.07Å; I501-F511 HydrophobicContact CG2-CE1 4.35Å; C504-F511 HydrophobicContact CB-CD1 4.33Å; S505-F511 WeakPolarHBondContact OG-CE1 3.46Å
512	Y	82.4	Confident	85.2	Confident	74 Å²	74	24 Å²	24	29%	0.29	13%	0.126	S	C	.	.	P	Polyproline II helix	trans	-79.9	126	179.4	-171.9	-91.5	0	0	0	111.4	L239 I497 L500	L239-Y512 HydrophobicContact CB-CD2 3.99Å; L239-Y512 HydrophobicContact CD1-CD2 4.08Å; L239-Y512 HydrophobicContact CD2-CD2 3.47Å; L239-Y512 VanDerWaalsContact CD2-CD2 3.47Å; L239-Y512 HydrophobicContact CD2-CE2 3.78Å; L239-Y512 HydrophobicContact CG-CD2 4.01Å; I497-Y512 HydrophobicContact CD1-CD1 4.49Å; I497-Y512 HydrophobicContact CD1-CE1 4.5Å; I497-Y512 HydrophobicContact CG1-CD1 3.93Å; I497-Y512 HydrophobicContact CG1-CE1 4.14Å; L500-Y512 HydrophobicContact CD1-CD1 4.15Å; L500-Y512 HydrophobicContact CD1-CE1 4.43Å; L500-Y512 HydrophobicContact CD1-CG 4.18Å
513	V	83.5	Confident	84.9	Confident	3 Å²	3	23.7 Å²	23.7	2%	0.018	12%	0.123	C	C	.	.			trans	-137	152.6	179.4	-174.8	0	0	0	0	110.2	T242 I466 D469	T242-V513 HydrophobicContact CG2-CB 4.27Å; T242-V513 HydrophobicContact CG2-CG1 3.73Å; I466-V513 HydrophobicContact CG1-CG2 4.25Å; D469-V513 HydrophobicContact CB-CG1 3.99Å
514	A	84.8	Confident	84.6	Confident	8 Å²	8	20.5 Å²	20.5	7%	0.066	11%	0.107	C	C	.	.			trans	-61.8	140.2	176.4	0	0	0	0	0	112.4	T242 T473	T242-A514 WeakPolarHBondContact CG2-O 3.43Å; T473-A514 HydrophobicContact CG2-CB 4.23Å
515	A	83.6	Confident	84.4	Confident	14 Å²	14	21.6 Å²	21.6	12%	0.116	12%	0.115	C	C	.	.			trans	-110.6	79.5	179	0	0	0	0	0	111.7	V517 I518 S519	A515-V517 PolarHBondContact O-N 3.38Å; A515-I518 HydrophobicContact CB-CB 4.19Å; A515-I518 PolarHBondContact O-N 3.17Å; A515-I518 VanDerWaalsContact O-N 3.11Å; A515-S519 PolarHBondContact O-N 3.32Å; A515-S519 PolarHBondContact O-OG 2.9Å; A515-S519 VanDerWaalsContact O-OG 3.13Å
516	T	84.2	Confident	84.4	Confident	10 Å²	10	21.8 Å²	21.8	6%	0.061	12%	0.116	C	C	.	.	H	α-helix	trans	-41.8	-57.1	-175.9	52.3	0	0	0	0	114.7	F301 I305 T473 I518 S519 L520	F301-T516 HydrophobicContact CD1-CG2 4.49Å; F301-T516 HydrophobicContact CE1-CG2 3.63Å; F301-T516 HydrophobicContact CZ-CG2 4.33Å; I305-T516 HydrophobicContact CD1-CG2 3.83Å; I305-T516 WeakPolarHBondContact CG2-OG1 3.36Å; T473-T516 HydrophobicContact CG2-CG2 4.25Å; T473-T516 WeakPolarHBondContact OG1-CG2 3.26Å; T516-I518 PolarHBondContact O-N 3.06Å; T516-S519 PolarHBondContact O-N 3.03Å; T516-L520 WeakPolarHBondContact O-CG 3.24Å; T516-L520 PolarHBondContact O-N 3.21Å
517	V	83.3	Confident	84.2	Confident	3 Å²	3	22.1 Å²	22.1	2%	0.018	12%	0.115	C	C	.	.	H	α-helix	trans	-65.1	-40.2	-175.6	-179.5	0	0	0	0	111.9	I305 F309 A515 L520 M521	I305-V517 HydrophobicContact CB-CG2 4.45Å; I305-V517 HydrophobicContact CG2-CG2 3.76Å; F309-V517 HydrophobicContact CB-CG2 4.4Å; F309-V517 HydrophobicContact CD1-CG1 4.24Å; F309-V517 HydrophobicContact CG-CG1 4.47Å; A515-V517 PolarHBondContact O-N 3.38Å; V517-L520 PolarHBondContact O-N 3.2Å; V517-M521 HydrophobicContact CG1-CG 4.47Å; V517-M521 WeakPolarHBondContact O-CB 3.44Å; V517-M521 VanDerWaalsContact O-CG 3.3Å; V517-M521 WeakPolarHBondContact O-CG 3.4Å; V517-M521 PolarHBondContact O-N 3.47Å
518	I	85.5	Confident	84	Confident	9 Å²	9	22.5 Å²	22.5	5%	0.046	12%	0.117	C	C	.	.	H	α-helix	trans	-67.4	-42.2	177.9	-71.3	-178.7	0	0	0	109.7	L211 A214 K218 A515 T516 L520 M521 H522	L211-I518 HydrophobicContact CD2-CG2 3.49Å; L211-I518 VanDerWaalsContact CD2-CG2 3.49Å; A214-I518 HydrophobicContact CB-CD1 4.19Å; A214-I518 HydrophobicContact CB-CG1 4.38Å; K218-I518 HydrophobicContact CD-CD1 3.47Å; K218-I518 VanDerWaalsContact CD-CD1 3.47Å; K218-I518 HydrophobicContact CD-CG1 4.38Å; K218-I518 HydrophobicContact CG-CD1 4.23Å; K218-I518 VanDerWaalsContact NZ-CD1 3.32Å; A515-I518 HydrophobicContact CB-CB 4.19Å; A515-I518 PolarHBondContact O-N 3.17Å; A515-I518 VanDerWaalsContact O-N 3.11Å; T516-I518 PolarHBondContact O-N 3.06Å; I518-L520 VanDerWaalsContact C-N 3.34Å; I518-L520 PolarHBondContact O-N 3.15Å; I518-M521 PolarHBondContact O-N 2.9Å; I518-H522 WeakPolarHBondContact O-CB 3.47Å; I518-H522 PolarHBondContact O-N 2.93Å
519	S	87.2	Confident	83.9	Confident	36 Å²	36	24 Å²	24	25%	0.252	12%	0.124	S	C	.	.	H	α-helix	trans	-64.2	-39.3	178.2	-56.4	0	0	0	0	112.2	A515 T516 H522 A523	A515-S519 PolarHBondContact O-N 3.32Å; A515-S519 PolarHBondContact O-OG 2.9Å; A515-S519 VanDerWaalsContact O-OG 3.13Å; T516-S519 PolarHBondContact O-N 3.03Å; S519-H522 PolarHBondContact O-N 3.08Å; S519-A523 WeakPolarHBondContact O-CB 3.46Å; S519-A523 PolarHBondContact O-N 2.88Å
520	L	85.6	Confident	83.4	Confident	17 Å²	17	24.2 Å²	24.2	9%	0.089	13%	0.128	C	C	.	.	H	α-helix	trans	-63.2	-48.8	173.5	-79.5	175.8	0	0	0	112.3	A302 I476 T516 V517 I518 H522 A523 D524	A302-L520 HydrophobicContact CB-CD1 4.39Å; I476-L520 HydrophobicContact CG2-CD1 4.25Å; I476-L520 HydrophobicContact CG2-CD2 3.44Å; I476-L520 VanDerWaalsContact CG2-CD2 3.44Å; I476-L520 HydrophobicContact CG2-CG 4.12Å; T516-L520 WeakPolarHBondContact O-CG 3.24Å; T516-L520 PolarHBondContact O-N 3.21Å; V517-L520 PolarHBondContact O-N 3.2Å; I518-L520 VanDerWaalsContact C-N 3.34Å; I518-L520 PolarHBondContact O-N 3.15Å; L520-H522 VanDerWaalsContact C-N 3.3Å; L520-H522 PolarHBondContact O-N 3.23Å; L520-A523 WeakPolarHBondContact O-CB 3.46Å; L520-A523 PolarHBondContact O-N 3.25Å; L520-D524 PolarHBondContact O-N 3.22Å
521	M	83.7	Confident	82.7	Confident	9 Å²	9	30.7 Å²	30.7	4%	0.044	16%	0.158	C	C	.	.	H	α-helix	trans	-65.8	-35	178.6	-70.1	-58.9	-54.2	0	0	112.3	F210 V517 I518 D524 S525 Y590 M591 V594	F210-M521 HydrophobicContact CE1-CB 3.71Å; F210-M521 HydrophobicContact CZ-CB 3.51Å; F210-M521 HydrophobicContact CZ-CE 4.45Å; F210-M521 HydrophobicContact CZ-CG 4.23Å; V517-M521 HydrophobicContact CG1-CG 4.47Å; V517-M521 WeakPolarHBondContact O-CB 3.44Å; V517-M521 VanDerWaalsContact O-CG 3.3Å; V517-M521 WeakPolarHBondContact O-CG 3.4Å; V517-M521 PolarHBondContact O-N 3.47Å; I518-M521 PolarHBondContact O-N 2.9Å; M521-D524 PolarHBondContact O-N 3.42Å; M521-S525 WeakPolarHBondContact O-CB 3.27Å; M521-S525 PolarHBondContact O-N 3.29Å; M521-Y590 HydrophobicContact CE-CE1 4.4Å; M521-M591 HydrophobicContact CE-CB 4.37Å; M521-M591 HydrophobicContact CE-CG 4.15Å; M521-M591 HydrophobicContact CG-CB 4.06Å; M521-M591 HydrophobicContact CG-CG 4.2Å; M521-M591 HydrophobicContact SD-CB 4.24Å; M521-V594 HydrophobicContact CE-CB 4.23Å; M521-V594 HydrophobicContact CE-CG1 3.93Å; M521-V594 HydrophobicContact SD-CB 4.17Å; M521-V594 HydrophobicContact SD-CG1 3.92Å
522	H	87.3	Confident	81.4	Confident	37 Å²	37	33.7 Å²	33.7	17%	0.171	18%	0.177	C	C	.	.	H	α-helix	trans	-65.6	-42	173.8	179	-128.1	0	0	0	111.4	L211 I518 S519 L520 S525 L526 T550	L211-H522 VanDerWaalsContact CD1-CD2 3.48Å; L211-H522 WeakPolarHBondContact CD1-CD2 3.06Å; L211-H522 HydrophobicContact CD2-CB 3.95Å; L211-H522 HydrophobicContact CG-CB 4.43Å; I518-H522 WeakPolarHBondContact O-CB 3.47Å; I518-H522 PolarHBondContact O-N 2.93Å; S519-H522 PolarHBondContact O-N 3.08Å; L520-H522 VanDerWaalsContact C-N 3.3Å; L520-H522 PolarHBondContact O-N 3.23Å; H522-S525 WeakPolarHBondContact CA-OG 3.27Å; H522-S525 PolarHBondContact O-N 2.81Å; H522-S525 PolarHBondContact O-OG 2.8Å; H522-L526 WeakPolarHBondContact NE2-CD1 3.33Å; H522-L526 PolarHBondContact O-N 3.29Å; H522-T550 PolarHBondContact CE1-OG1 3.02Å; H522-T550 VanDerWaalsContact CE1-OG1 3.27Å; H522-T550 PolarHBondContact NE2-OG1 3.45Å
523	A	87.4	Confident	79.9	Confident	14 Å²	14	37.1 Å²	37.1	12%	0.116	21%	0.205	C	C	.	.	H	α-helix	trans	-59.1	-47.1	172.9	0	0	0	0	0	111.6	S519 L520 S525 L526 R527 L544	S519-A523 WeakPolarHBondContact O-CB 3.46Å; S519-A523 PolarHBondContact O-N 2.88Å; L520-A523 WeakPolarHBondContact O-CB 3.46Å; L520-A523 PolarHBondContact O-N 3.25Å; A523-S525 VanDerWaalsContact C-N 3.33Å; A523-S525 PolarHBondContact O-N 3.29Å; A523-L526 CarbonylContact O-C 3.54Å; A523-L526 PolarHBondContact O-N 3.24Å; A523-L526 VanDerWaalsContact O-N 3.15Å; A523-R527 PolarHBondContact O-N 2.87Å; A523-L544 HydrophobicContact CB-CD2 3.62Å; A523-L544 WeakPolarHBondContact O-CD2 3.23Å
524	D	83.8	Confident	78.6	Confident	18 Å²	18	39 Å²	39	10%	0.096	22%	0.221	C	C	.	.	H	α-helix	trans	-64.1	-36.3	175.8	-170.1	42.4	0	0	0	112	K383 L520 M521 L526 R527 E598	K383-D524 IonicContact NZ-OD2 3.3Å; K383-D524 PolarHBondContact NZ-OD2 2.96Å; L520-D524 PolarHBondContact O-N 3.22Å; M521-D524 PolarHBondContact O-N 3.42Å; D524-L526 PolarHBondContact O-N 2.99Å; D524-R527 WeakPolarHBondContact O-CB 3.49Å; D524-R527 PolarHBondContact O-N 3.41Å; D524-R527 VanDerWaalsContact O-N 3.12Å; D524-R527 WeakPolarHBondContact OD1-CD 3.43Å; D524-R527 IonicContact OD1-NH1 3.5Å; D524-E598 VanDerWaalsContact OD2-OE1 3.12Å
525	S	85	Confident	77.2	Confident	32 Å²	32	45.2 Å²	45.2	22%	0.224	26%	0.261	C	S	.	.	H	α-helix	trans	-63.4	-25.3	176.5	77.9	0	0	0	0	113.4	Q203 A207 M521 H522 A523	Q203-S525 VanDerWaalsContact CG-O 3.25Å; Q203-S525 WeakPolarHBondContact CG-O 3.2Å; Q203-S525 PolarHBondContact NE2-O 3.21Å; A207-S525 VanDerWaalsContact CB-OG 3.29Å; A207-S525 WeakPolarHBondContact CB-OG 3.48Å; M521-S525 WeakPolarHBondContact O-CB 3.27Å; M521-S525 PolarHBondContact O-N 3.29Å; H522-S525 WeakPolarHBondContact CA-OG 3.27Å; H522-S525 PolarHBondContact O-N 2.81Å; H522-S525 PolarHBondContact O-OG 2.8Å; A523-S525 VanDerWaalsContact C-N 3.33Å; A523-S525 PolarHBondContact O-N 3.29Å
526	L	88.1	Confident	76.1	Confident	6 Å²	6	48.2 Å²	48.2	3%	0.031	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	13.1	178.7	-64.9	-175.5	0	0	0	113.6	Q203 A207 H522 A523 D524 I528 K545 Q547 T550	Q203-L526 HydrophobicContact CG-CD2 4.49Å; Q203-L526 VanDerWaalsContact NE2-C 3.35Å; A207-L526 HydrophobicContact CB-CD2 3.78Å; A207-L526 HydrophobicContact CB-CG 4.34Å; H522-L526 WeakPolarHBondContact NE2-CD1 3.33Å; H522-L526 PolarHBondContact O-N 3.29Å; A523-L526 CarbonylContact O-C 3.54Å; A523-L526 PolarHBondContact O-N 3.24Å; A523-L526 VanDerWaalsContact O-N 3.15Å; D524-L526 PolarHBondContact O-N 2.99Å; L526-I528 PolarHBondContact O-N 3.42Å; L526-K545 HydrophobicContact CB-CB 4.41Å; L526-K545 PolarHBondContact O-N 3.22Å; L526-Q547 HydrophobicContact CD1-CG 3.88Å; L526-T550 HydrophobicContact CD2-CG2 4.38Å
527	R	85.5	Confident	75	Confident	91 Å²	91	52.9 Å²	52.9	34%	0.343	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	124.4	176.4	179.6	142.4	-166.2	-164	8.5	111.6	Q203 A523 D524 I529 F541	Q203-R527 PolarHBondContact NE2-O 3.02Å; A523-R527 PolarHBondContact O-N 2.87Å; D524-R527 WeakPolarHBondContact O-CB 3.49Å; D524-R527 PolarHBondContact O-N 3.41Å; D524-R527 VanDerWaalsContact O-N 3.12Å; D524-R527 WeakPolarHBondContact OD1-CD 3.43Å; D524-R527 IonicContact OD1-NH1 3.5Å; R527-I529 HydrophobicContact CG-CD1 4.4Å; R527-I529 HydrophobicContact CG-CG1 3.93Å; R527-F541 HydrophobicContact CB-CE2 4.28Å; R527-F541 HydrophobicContact CG-CD2 3.55Å; R527-F541 HydrophobicContact CG-CE2 3.51Å
528	I	81.2	Confident	73.9	Confident	63 Å²	63	61.2 Å²	61.2	32%	0.323	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	118.8	173.1	-52.8	173	0	0	0	108.4	L526 L542 G543 K545	L526-I528 PolarHBondContact O-N 3.42Å; I528-L542 HydrophobicContact CG2-CB 4.31Å; I528-L542 HydrophobicContact CG2-CD1 4.26Å; I528-L542 PolarHBondContact O-N 2.71Å; I528-G543 WeakPolarHBondContact CA-O 3.32Å; I528-G543 WeakPolarHBondContact CB-O 3.37Å; I528-G543 PolarHBondContact N-O 3.27Å; I528-K545 HydrophobicContact CD1-CB 3.94Å; I528-K545 HydrophobicContact CG1-CB 4.16Å
529	I	76	Confident	73	Confident	32 Å²	32	64 Å²	64	16%	0.164	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	137.1	178.9	-58.2	177.7	0	0	0	108.3	R527 P539	R527-I529 HydrophobicContact CG-CD1 4.4Å; R527-I529 HydrophobicContact CG-CG1 3.93Å; I529-P539 HydrophobicContact CG2-CB 3.38Å
530	S	70.7	Confident	72	Confident	27 Å²	27	67.4 Å²	67.4	19%	0.189	39%	0.385	C	S	.	.			trans	-58.3	136.4	179.1	67.5	0	0	0	0	111.4	T532 Q540	S530-T532 PolarHBondContact O-N 3.34Å; S530-Q540 PolarHBondContact N-O 2.92Å; S530-Q540 PolarHBondContact OG-N 3.29Å; S530-Q540 PolarHBondContact OG-O 3.34Å
531	E	63.9	Low	71.5	Confident	138 Å²	138	68.1 Å²	68.1	65%	0.645	39%	0.387	S	S	*	.			trans	-76.7	105.8	170.1	-59.8	-169.3	170.4	0	0	107.6	R200 T533	R200-E531 IonicContact CZ-OE1 3.42Å; R200-E531 IonicContact NE-OE1 3.61Å; R200-E531 IonicContact NH2-OE1 2.93Å; R200-E531 PolarHBondContact NH2-OE1 3.14Å; E531-T533 PolarHBondContact O-N 3.08Å
532	T	57.7	Low	71.1	Confident	67 Å²	67	71.6 Å²	71.6	41%	0.411	41%	0.406	S	S	.	.			trans	-69.1	114.3	178.4	52.9	0	0	0	0	109.2	S530 P539	S530-T532 PolarHBondContact O-N 3.34Å; T532-P539 HydrophobicContact CG2-CB 4.31Å
533	T	50.1	Low	71	Confident	145 Å²	145	70.2 Å²	70.2	89%	0.89	40%	0.401	S	S	*	.			trans	-85.6	-32.5	171.3	51.4	0	0	0	0	111.4	E531	E531-T533 PolarHBondContact O-N 3.08Å
534	A	55.7	Low	71	Confident	43 Å²	43	70.8 Å²	70.8	36%	0.355	40%	0.402	S	S	.	.	S	Bend	trans	-89	130.6	-178.6	0	0	0	0	0	112.6	G536	A534-G536 PolarHBondContact O-N 3.46Å
535	P	55.8	Low	71.2	Confident	138 Å²	138	70.7 Å²	70.7	90%	0.896	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	120.3	175.4	25.2	-30.4	0	0	0	111
536	G	60.4	Low	71.3	Confident	78 Å²	78	71 Å²	71	80%	0.804	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	112.8	-18.1	176.8	0	0	0	0	0	114.6	A534	A534-G536 PolarHBondContact O-N 3.46Å
537	D	60.5	Low	71.4	Confident	108 Å²	108	71.7 Å²	71.7	58%	0.578	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-72.6	133.1	175	-83	-24.4	0	0	0	111.2
538	K	60.2	Low	71.6	Confident	178 Å²	178	71.3 Å²	71.3	77%	0.774	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-71.4	135.7	173.7	-67.7	-178.8	-176.5	175.5	0	108.5	Q540	K538-Q540 PolarHBondContact O-N 2.81Å
539	P	66.3	Low	72.1	Confident	66 Å²	66	68.9 Å²	68.9	43%	0.429	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-56.1	126.1	175.1	19.5	-29.4	0	0	0	110.4	I529 T532	I529-P539 HydrophobicContact CG2-CB 3.38Å; T532-P539 HydrophobicContact CG2-CB 4.31Å
540	Q	66.7	Low	72.9	Confident	108 Å²	108	67.3 Å²	67.3	51%	0.505	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-98.6	146.6	-179.9	-63.2	-170.8	7.8	0	0	110.5	S530 K538 L542	S530-Q540 PolarHBondContact N-O 2.92Å; S530-Q540 PolarHBondContact OG-N 3.29Å; S530-Q540 PolarHBondContact OG-O 3.34Å; K538-Q540 PolarHBondContact O-N 2.81Å; Q540-L542 PolarHBondContact O-N 3.21Å
541	F	76.3	Confident	73.7	Confident	32 Å²	32	67.9 Å²	67.9	14%	0.14	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	117.4	174.7	175.3	-111.9	0	0	0	110.4	E481 K483 R527 G543 L544	E481-F541 WeakPolarHBondContact O-CE1 3.48Å; K483-F541 HydrophobicContact CD-CD1 4.5Å; K483-F541 PolarHBondContact NZ-O 3.02Å; R527-F541 HydrophobicContact CB-CE2 4.28Å; R527-F541 HydrophobicContact CG-CD2 3.55Å; R527-F541 HydrophobicContact CG-CE2 3.51Å; F541-G543 VanDerWaalsContact CE2-C 3.46Å; F541-G543 WeakPolarHBondContact CE2-O 3.46Å; F541-G543 VanDerWaalsContact CZ-C 3.41Å; F541-G543 VanDerWaalsContact CZ-CA 3.46Å; F541-L544 HydrophobicContact CE2-CD1 4.36Å; F541-L544 HydrophobicContact CZ-CD1 3.64Å; F541-L544 HydrophobicContact CZ-CG 4.36Å
542	L	75.5	Confident	75	Confident	83 Å²	83	66.1 Å²	66.1	44%	0.435	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	-39.3	-179.9	-68	176	0	0	0	111.5	K483 I528 Q540	K483-L542 VanDerWaalsContact CD-O 3.28Å; K483-L542 WeakPolarHBondContact CD-O 3.49Å; I528-L542 HydrophobicContact CG2-CB 4.31Å; I528-L542 HydrophobicContact CG2-CD1 4.26Å; I528-L542 PolarHBondContact O-N 2.71Å; Q540-L542 PolarHBondContact O-N 3.21Å
543	G	83.8	Confident	76.5	Confident	7 Å²	7	65.9 Å²	65.9	7%	0.072	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	158.5	-168.7	-178.7	0	0	0	0	0	111.8	I528 F541	I528-G543 WeakPolarHBondContact CA-O 3.32Å; I528-G543 WeakPolarHBondContact CB-O 3.37Å; I528-G543 PolarHBondContact N-O 3.27Å; F541-G543 VanDerWaalsContact CE2-C 3.46Å; F541-G543 WeakPolarHBondContact CE2-O 3.46Å; F541-G543 VanDerWaalsContact CZ-C 3.41Å; F541-G543 VanDerWaalsContact CZ-CA 3.46Å
544	L	87.6	Confident	78.3	Confident	26 Å²	26	59 Å²	59	14%	0.136	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	150	172.8	-76.1	95.3	0	0	0	112.1	N482 L484 A523 F541 E546	N482-L544 HydrophobicContact CB-CD1 3.52Å; N482-L544 WeakPolarHBondContact O-CD1 3.47Å; L484-L544 HydrophobicContact CD2-CB 4.07Å; L484-L544 HydrophobicContact CD2-CD1 4.25Å; A523-L544 HydrophobicContact CB-CD2 3.62Å; A523-L544 WeakPolarHBondContact O-CD2 3.23Å; F541-L544 HydrophobicContact CE2-CD1 4.36Å; F541-L544 HydrophobicContact CZ-CD1 3.64Å; F541-L544 HydrophobicContact CZ-CG 4.36Å; L544-E546 PolarHBondContact O-N 3.04Å
545	K	87.4	Confident	79.7	Confident	16 Å²	16	60.9 Å²	60.9	7%	0.07	34%	0.335	C	S	.	.			trans	-79.4	93.8	167	-168.5	177.3	179.6	-176.5	0	110	D195 A196 R198 T204 L526 I528 Q547	D195-K545 WeakPolarHBondContact O-CE 3.44Å; A196-K545 WeakPolarHBondContact O-CE 3.45Å; A196-K545 PolarHBondContact O-NZ 3.47Å; R198-K545 WeakPolarHBondContact O-CE 3.48Å; R198-K545 PolarHBondContact O-NZ 2.96Å; T204-K545 PolarHBondContact OG1-NZ 2.79Å; L526-K545 HydrophobicContact CB-CB 4.41Å; L526-K545 PolarHBondContact O-N 3.22Å; I528-K545 HydrophobicContact CD1-CB 3.94Å; I528-K545 HydrophobicContact CG1-CB 4.16Å; K545-Q547 PolarHBondContact O-N 2.91Å
546	E	87.9	Confident	81.1	Confident	39 Å²	39	59.5 Å²	59.5	18%	0.182	32%	0.32	C	S	.	.			trans	-76.5	112.3	-177.3	-63.5	-179	-109.2	0	0	112.4	L484 Q485 K486 L544	L484-E546 WeakPolarHBondContact CA-OE1 3.4Å; L484-E546 VanDerWaalsContact CD2-CD 3.44Å; L484-E546 HydrophobicContact CD2-CG 3.47Å; L484-E546 VanDerWaalsContact CD2-CG 3.47Å; Q485-E546 PolarHBondContact N-OE1 3.34Å; K486-E546 WeakPolarHBondContact CB-OE2 3.2Å; K486-E546 HydrophobicContact CD-CB 3.86Å; K486-E546 HydrophobicContact CG-CB 4.48Å; K486-E546 WeakPolarHBondContact CG-OE2 3.42Å; K486-E546 PolarHBondContact N-OE1 3.37Å; K486-E546 VanDerWaalsContact N-OE1 3.15Å; K486-E546 PolarHBondContact N-OE2 3.01Å; K486-E546 PolarHBondContact NZ-O 3.43Å; L544-E546 PolarHBondContact O-N 3.04Å
547	Q	90.3	Very high	82.1	Confident	21 Å²	21	58.7 Å²	58.7	10%	0.098	30%	0.297	C	S	.	.			trans	-151.6	158.8	-175.4	59.7	178.1	-26.7	0	0	112.9	D192 A196 T204 L526 K545 T550	D192-Q547 WeakPolarHBondContact O-CA 3.47Å; A196-Q547 HydrophobicContact CB-CB 4.06Å; T204-Q547 PolarHBondContact OG1-NE2 2.86Å; T204-Q547 VanDerWaalsContact OG1-NE2 3.1Å; L526-Q547 HydrophobicContact CD1-CG 3.88Å; K545-Q547 PolarHBondContact O-N 2.91Å; Q547-T550 HydrophobicContact CG-CG2 4.37Å
548	R	90.6	Very high	82.9	Confident	83 Å²	83	54.4 Å²	54.4	31%	0.313	27%	0.274	S	S	.	.	S	Bend	trans	-104	-14	173.5	-68.3	178.5	-168.8	-126.5	6.7	114.3	D192 F193 T550 A551 L552	D192-R548 HydrophobicContact CB-CB 4.44Å; D192-R548 HydrophobicContact CB-CG 3.94Å; D192-R548 PolarHBondContact O-N 3.37Å; D192-R548 IonicContact OD2-CZ 2.84Å; D192-R548 IonicContact OD2-NE 2.7Å; D192-R548 PolarHBondContact OD2-NE 3.31Å; D192-R548 IonicContact OD2-NH2 3.5Å; D192-R548 PolarHBondContact OD2-NH2 2.89Å; F193-R548 HydrophobicContact CE1-CB 4.48Å; F193-R548 HydrophobicContact CZ-CB 4.4Å; R548-T550 PolarHBondContact O-N 3.13Å; R548-A551 PolarHBondContact O-N 3.41Å; R548-L552 PolarHBondContact O-N 2.88Å; R548-L552 VanDerWaalsContact O-N 3.13Å
549	V	91.4	Very high	83.6	Confident	11 Å²	11	47.1 Å²	47.1	7%	0.067	25%	0.25	C	C	.	.	H	α-helix	trans	-64.1	-37.3	-170.5	174.7	0	0	0	0	112.8	F193 A196 A551 L552 I553	F193-V549 HydrophobicContact CD1-CG2 3.94Å; A196-V549 HydrophobicContact CB-CB 3.62Å; A196-V549 HydrophobicContact CB-CG1 4.24Å; A196-V549 HydrophobicContact CB-CG2 3.41Å; A196-V549 VanDerWaalsContact CB-CG2 3.41Å; V549-A551 PolarHBondContact O-N 3.49Å; V549-L552 PolarHBondContact O-N 3.19Å; V549-I553 HydrophobicContact CG1-CD1 3.5Å; V549-I553 HydrophobicContact CG1-CG1 4.05Å; V549-I553 WeakPolarHBondContact O-CB 3.28Å; V549-I553 VanDerWaalsContact O-CG1 3.29Å; V549-I553 WeakPolarHBondContact O-CG1 3.36Å; V549-I553 PolarHBondContact O-N 3.31Å
550	T	91.5	Very high	84	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62	-46.6	-179.8	51.8	0	0	0	0	112.5	T204 A207 H522 L526 Q547 R548 A554	T204-T550 HydrophobicContact CG2-CG2 3.74Å; T204-T550 WeakPolarHBondContact O-CG2 3.36Å; A207-T550 HydrophobicContact CB-CG2 4Å; H522-T550 PolarHBondContact CE1-OG1 3.02Å; H522-T550 VanDerWaalsContact CE1-OG1 3.27Å; H522-T550 PolarHBondContact NE2-OG1 3.45Å; L526-T550 HydrophobicContact CD2-CG2 4.38Å; Q547-T550 HydrophobicContact CG-CG2 4.37Å; R548-T550 PolarHBondContact O-N 3.13Å; T550-A554 WeakPolarHBondContact O-CB 3.28Å; T550-A554 PolarHBondContact O-N 3.44Å
551	A	88.8	Confident	84.1	Confident	38 Å²	38	42 Å²	42	31%	0.314	23%	0.225	S	C	.	.	H	α-helix	trans	-67.4	-40	178.2	0	0	0	0	0	110.7	R548 V549 A554 H555	R548-A551 PolarHBondContact O-N 3.41Å; V549-A551 PolarHBondContact O-N 3.49Å; A551-A554 PolarHBondContact O-N 2.93Å; A551-H555 PolarHBondContact O-N 3.01Å; A551-H555 PolarHBondContact O-ND1 3Å
552	L	90	Very high	83.6	Confident	102 Å²	102	43 Å²	43	53%	0.534	24%	0.24	S	C	.	.	H	α-helix	trans	-60.4	-50.3	175.7	-174.9	71.4	0	0	0	111.4	F193 R548 V549 A554 H555 L556	F193-L552 HydrophobicContact CE1-CD2 4.26Å; R548-L552 PolarHBondContact O-N 2.88Å; R548-L552 VanDerWaalsContact O-N 3.13Å; V549-L552 PolarHBondContact O-N 3.19Å; L552-A554 PolarHBondContact O-N 3.3Å; L552-H555 PolarHBondContact O-N 3.32Å; L552-L556 WeakPolarHBondContact O-CB 3.44Å; L552-L556 PolarHBondContact O-N 3.12Å
553	I	89.6	Confident	83	Confident	61 Å²	61	45 Å²	45	31%	0.313	25%	0.25	S	S	.	.	H	α-helix	trans	-61.3	-46	178.7	-69	171.4	0	0	0	110.5	A208 V549 H555 L556 L557	A208-I553 HydrophobicContact CB-CB 4.17Å; A208-I553 HydrophobicContact CB-CG2 3.98Å; V549-I553 HydrophobicContact CG1-CD1 3.5Å; V549-I553 HydrophobicContact CG1-CG1 4.05Å; V549-I553 WeakPolarHBondContact O-CB 3.28Å; V549-I553 VanDerWaalsContact O-CG1 3.29Å; V549-I553 WeakPolarHBondContact O-CG1 3.36Å; V549-I553 PolarHBondContact O-N 3.31Å; I553-H555 PolarHBondContact O-N 3.35Å; I553-L556 PolarHBondContact O-N 3.15Å; I553-L557 HydrophobicContact CG2-CD1 3.89Å; I553-L557 HydrophobicContact CG2-CG 4.28Å; I553-L557 WeakPolarHBondContact O-CB 3.48Å; I553-L557 VanDerWaalsContact O-CG 3.26Å; I553-L557 WeakPolarHBondContact O-CG 3.47Å; I553-L557 PolarHBondContact O-N 3.33Å
554	A	87	Confident	81.4	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60.2	-47	-179.7	0	0	0	0	0	112.2	L211 F212 T550 A551 L552 L557 I558	L211-A554 HydrophobicContact CB-CB 3.72Å; F212-A554 HydrophobicContact CB-CB 4.38Å; T550-A554 WeakPolarHBondContact O-CB 3.28Å; T550-A554 PolarHBondContact O-N 3.44Å; A551-A554 PolarHBondContact O-N 2.93Å; L552-A554 PolarHBondContact O-N 3.3Å; A554-L557 PolarHBondContact O-N 3.33Å; A554-I558 WeakPolarHBondContact O-CG1 3.35Å; A554-I558 PolarHBondContact O-N 3.24Å
555	H	85.4	Confident	79.7	Confident	83 Å²	83	52.5 Å²	52.5	38%	0.384	29%	0.292	S	S	.	.	H	α-helix	trans	-72.4	-31.9	178.1	-68.8	87.8	0	0	0	112.6	A551 L552 I553 I558 G559	A551-H555 PolarHBondContact O-N 3.01Å; A551-H555 PolarHBondContact O-ND1 3Å; L552-H555 PolarHBondContact O-N 3.32Å; I553-H555 PolarHBondContact O-N 3.35Å; H555-I558 PolarHBondContact O-N 3.13Å; H555-G559 PolarHBondContact O-N 3.34Å
556	L	85.1	Confident	78.2	Confident	109 Å²	109	56.5 Å²	56.5	57%	0.571	32%	0.32	S	S	*	.	H	α-helix	trans	-61.8	-44.7	171.1	-170.8	91.5	0	0	0	110.3	L552 I553 I558 G559 V560	L552-L556 WeakPolarHBondContact O-CB 3.44Å; L552-L556 PolarHBondContact O-N 3.12Å; I553-L556 PolarHBondContact O-N 3.15Å; L556-I558 PolarHBondContact O-N 2.97Å; L556-G559 PolarHBondContact O-N 3.31Å; L556-V560 HydrophobicContact CG-CG2 4.3Å; L556-V560 WeakPolarHBondContact O-CB 3.26Å; L556-V560 WeakPolarHBondContact O-CG2 3.16Å; L556-V560 PolarHBondContact O-N 2.93Å
557	L	81.2	Confident	76.5	Confident	61 Å²	61	63 Å²	63	32%	0.319	35%	0.348	S	S	.	.	H	α-helix	trans	-63.1	-41	177.1	-72.1	170.9	0	0	0	112	F212 I553 A554 S561	F212-L557 HydrophobicContact CB-CD1 4.44Å; F212-L557 HydrophobicContact CD2-CB 3.52Å; F212-L557 HydrophobicContact CD2-CD1 4.3Å; F212-L557 HydrophobicContact CE2-CB 3.73Å; F212-L557 HydrophobicContact CG-CB 4.37Å; F212-L557 HydrophobicContact CG-CD1 4.35Å; I553-L557 HydrophobicContact CG2-CD1 3.89Å; I553-L557 HydrophobicContact CG2-CG 4.28Å; I553-L557 WeakPolarHBondContact O-CB 3.48Å; I553-L557 VanDerWaalsContact O-CG 3.26Å; I553-L557 WeakPolarHBondContact O-CG 3.47Å; I553-L557 PolarHBondContact O-N 3.33Å; A554-L557 PolarHBondContact O-N 3.33Å; L557-S561 WeakPolarHBondContact O-CB 3.5Å; L557-S561 PolarHBondContact O-N 3.06Å
558	I	78	Confident	74.6	Confident	18 Å²	18	65.9 Å²	65.9	9%	0.092	36%	0.362	C	S	.	.	H	α-helix	trans	-63.5	-47.1	173.7	-64.9	164.6	0	0	0	110.3	F212 N215 V216 I219 A554 H555 L556 S561 A562	F212-I558 HydrophobicContact CD2-CG1 3.79Å; F212-I558 HydrophobicContact CE2-CG1 3.96Å; N215-I558 HydrophobicContact CB-CD1 3.6Å; V216-I558 HydrophobicContact CG2-CG1 3.98Å; I219-I558 HydrophobicContact CD1-CD1 4.2Å; I219-I558 HydrophobicContact CD1-CG2 4.02Å; A554-I558 WeakPolarHBondContact O-CG1 3.35Å; A554-I558 PolarHBondContact O-N 3.24Å; H555-I558 PolarHBondContact O-N 3.13Å; L556-I558 PolarHBondContact O-N 2.97Å; I558-S561 WeakPolarHBondContact O-CB 3.41Å; I558-S561 PolarHBondContact O-N 3.42Å; I558-A562 WeakPolarHBondContact O-CB 3.31Å; I558-A562 PolarHBondContact O-N 3.48Å
559	G	75.8	Confident	72.9	Confident	26 Å²	26	66.1 Å²	66.1	27%	0.268	37%	0.365	S	S	.	.	H	α-helix	trans	-61.9	-44.1	179	0	0	0	0	0	112.5	H555 L556 A562 L563	H555-G559 PolarHBondContact O-N 3.34Å; L556-G559 PolarHBondContact O-N 3.31Å; G559-A562 PolarHBondContact O-N 2.84Å; G559-L563 VanDerWaalsContact O-CB 3.3Å; G559-L563 WeakPolarHBondContact O-CB 3.42Å; G559-L563 PolarHBondContact O-N 3.28Å
560	V	73.5	Confident	71	Confident	34 Å²	34	70.8 Å²	70.8	21%	0.206	39%	0.393	C	S	.	.	H	α-helix	trans	-64.7	-41.2	175.5	169.8	0	0	0	0	110.8	L556 A562 L564 M568	L556-V560 HydrophobicContact CG-CG2 4.3Å; L556-V560 WeakPolarHBondContact O-CB 3.26Å; L556-V560 WeakPolarHBondContact O-CG2 3.16Å; L556-V560 PolarHBondContact O-N 2.93Å; V560-A562 PolarHBondContact O-N 3.33Å; V560-L564 HydrophobicContact CG1-CB 4.3Å; V560-L564 HydrophobicContact CG2-CD1 4.33Å; V560-L564 PolarHBondContact O-N 3.12Å; V560-M568 HydrophobicContact CG1-CB 4.32Å; V560-M568 HydrophobicContact CG1-CG 4.19Å; V560-M568 HydrophobicContact CG1-SD 4.05Å
561	S	69.6	Low	69.2	Low	31 Å²	31	76.3 Å²	76.3	22%	0.217	42%	0.423	C	S	.	.	H	α-helix	trans	-60.2	-34.1	174.4	-170.4	0	0	0	0	112.2	L557 I558	L557-S561 WeakPolarHBondContact O-CB 3.5Å; L557-S561 PolarHBondContact O-N 3.06Å; I558-S561 WeakPolarHBondContact O-CB 3.41Å; I558-S561 PolarHBondContact O-N 3.42Å
562	A	66.4	Low	67.9	Low	54 Å²	54	76.7 Å²	76.7	45%	0.446	42%	0.419	S	S	.	.	H	α-helix	trans	-87.6	-42.9	-179.7	0	0	0	0	0	114.8	I558 G559 V560	I558-A562 WeakPolarHBondContact O-CB 3.31Å; I558-A562 PolarHBondContact O-N 3.48Å; G559-A562 PolarHBondContact O-N 2.84Å; V560-A562 PolarHBondContact O-N 3.33Å
563	L	61.4	Low	66.5	Low	125 Å²	125	72.8 Å²	72.8	65%	0.654	40%	0.399	S	S	*	.	H	α-helix	trans	-98.1	-34.1	-167.8	-81.6	159	0	0	0	115.1	F431 G559	F431-L563 HydrophobicContact CE1-CD2 4.43Å; G559-L563 VanDerWaalsContact O-CB 3.3Å; G559-L563 WeakPolarHBondContact O-CB 3.42Å; G559-L563 PolarHBondContact O-N 3.28Å
564	L	51.9	Low	65	Low	99 Å²	99	73.3 Å²	73.3	52%	0.518	41%	0.407	S	S	.	.	S	Bend	trans	-101.1	113	-164.2	-104.2	113.7	0	0	0	113.2	V560	V560-L564 HydrophobicContact CG1-CB 4.3Å; V560-L564 HydrophobicContact CG2-CD1 4.33Å; V560-L564 PolarHBondContact O-N 3.12Å
565	T	50	Low	63.9	Low	92 Å²	92	77.1 Å²	77.1	56%	0.564	43%	0.43	S	S	*	.			trans	44	141.5	142.3	25.3	0	0	0	0	119.9	F567 M568	T565-F567 PolarHBondContact O-N 3.15Å; T565-M568 PolarHBondContact O-N 3.31Å
566	P	56.6	Low	63.1	Low	100 Å²	100	73.4 Å²	73.4	65%	0.649	41%	0.413	S	S	*	.	H	α-helix	trans	-50.2	-28.9	-174	17.1	-31.1	0	0	0	115.6	V570	P566-V570 WeakPolarHBondContact O-CB 3.15Å; P566-V570 WeakPolarHBondContact O-CG2 3.5Å; P566-V570 PolarHBondContact O-N 3.48Å
567	F	53.4	Low	62.2	Low	176 Å²	176	71.7 Å²	71.7	77%	0.772	40%	0.404	S	S	*	.	H	α-helix	trans	-66.2	-47	-176.4	-167.9	-100.7	0	0	0	115	T565 V570 L571	T565-F567 PolarHBondContact O-N 3.15Å; F567-V570 PolarHBondContact O-N 3.3Å; F567-L571 PolarHBondContact O-N 2.87Å
568	M	50.1	Low	62	Low	81 Å²	81	72 Å²	72	40%	0.399	41%	0.406	S	S	.	.	H	α-helix	trans	-77.1	-32.6	178.5	-101.1	-91.9	142.9	0	0	111.6	V560 T565 V570 L571 L572	V560-M568 HydrophobicContact CG1-CB 4.32Å; V560-M568 HydrophobicContact CG1-CG 4.19Å; V560-M568 HydrophobicContact CG1-SD 4.05Å; T565-M568 PolarHBondContact O-N 3.31Å; M568-V570 VanDerWaalsContact C-N 3.3Å; M568-V570 PolarHBondContact O-N 3Å; M568-L571 HydrophobicContact CE-CD2 3.91Å; M568-L571 PolarHBondContact O-N 3.48Å; M568-L571 VanDerWaalsContact O-N 3.09Å; M568-L572 PolarHBondContact O-N 3.46Å
569	K	53.3	Low	62.3	Low	87 Å²	87	71.4 Å²	71.4	38%	0.378	40%	0.402	S	S	.	.	H	α-helix	trans	-58.1	-43.3	171	-153.1	172.9	-175.6	170.4	0	110.7	S429 L571 T573 P574	S429-K569 PolarHBondContact O-NZ 3.41Å; K569-L571 VanDerWaalsContact C-N 3.29Å; K569-L571 PolarHBondContact O-N 3.31Å; K569-T573 WeakPolarHBondContact CA-OG1 3.49Å; K569-T573 WeakPolarHBondContact CG-OG1 3.49Å; K569-T573 WeakPolarHBondContact O-CA 2.91Å; K569-T573 WeakPolarHBondContact O-CB 3Å; K569-T573 PolarHBondContact O-N 2.88Å; K569-T573 PolarHBondContact O-OG1 3.17Å; K569-P574 VanDerWaalsContact O-CD 3.3Å; K569-P574 WeakPolarHBondContact O-CD 3.46Å
570	V	53.3	Low	62.8	Low	109 Å²	109	70.2 Å²	70.2	66%	0.661	39%	0.39	S	S	*	.	H	α-helix	trans	-64.9	-28.8	175.1	169.6	0	0	0	0	112.9	P566 F567 M568 P574	P566-V570 WeakPolarHBondContact O-CB 3.15Å; P566-V570 WeakPolarHBondContact O-CG2 3.5Å; P566-V570 PolarHBondContact O-N 3.48Å; F567-V570 PolarHBondContact O-N 3.3Å; M568-V570 VanDerWaalsContact C-N 3.3Å; M568-V570 PolarHBondContact O-N 3Å; V570-P574 WeakPolarHBondContact O-CD 3.47Å; V570-P574 WeakPolarHBondContact O-CG 3.49Å
571	L	53.8	Low	63.3	Low	117 Å²	117	70.2 Å²	70.2	61%	0.613	39%	0.388	S	S	*	.	H	α-helix	trans	-83.9	-47.6	178.3	-167.2	75.4	0	0	0	112.8	F567 M568 K569	F567-L571 PolarHBondContact O-N 2.87Å; M568-L571 HydrophobicContact CE-CD2 3.91Å; M568-L571 PolarHBondContact O-N 3.48Å; M568-L571 VanDerWaalsContact O-N 3.09Å; K569-L571 VanDerWaalsContact C-N 3.29Å; K569-L571 PolarHBondContact O-N 3.31Å
572	L	60.6	Low	64.3	Low	46 Å²	46	68.7 Å²	68.7	24%	0.241	38%	0.377	C	S	.	.	H	α-helix	trans	-93.9	-36.9	-170.3	-164.3	73.3	0	0	0	113	F212 M568 V575 L576	F212-L572 HydrophobicContact CZ-CD2 4.1Å; M568-L572 PolarHBondContact O-N 3.46Å; L572-V575 WeakPolarHBondContact O-CB 3.1Å; L572-V575 PolarHBondContact O-N 2.84Å; L572-V575 VanDerWaalsContact O-N 3.17Å; L572-L576 HydrophobicContact CD2-CD1 3.99Å; L572-L576 HydrophobicContact CG-CD1 3.91Å; L572-L576 HydrophobicContact CG-CG 4.22Å; L572-L576 WeakPolarHBondContact O-CG 3.49Å; L572-L576 PolarHBondContact O-N 2.88Å
573	T	61.1	Low	65.5	Low	20 Å²	20	66.1 Å²	66.1	12%	0.123	36%	0.356	C	S	.	.	H	α-helix	trans	-62.8	-43.6	-177.9	-51.6	0	0	0	0	113.3	K569 V575 L576 L577	K569-T573 WeakPolarHBondContact CA-OG1 3.49Å; K569-T573 WeakPolarHBondContact CG-OG1 3.49Å; K569-T573 WeakPolarHBondContact O-CA 2.91Å; K569-T573 WeakPolarHBondContact O-CB 3Å; K569-T573 PolarHBondContact O-N 2.88Å; K569-T573 PolarHBondContact O-OG1 3.17Å; T573-V575 PolarHBondContact O-N 3.12Å; T573-L576 PolarHBondContact O-N 3.4Å; T573-L577 HydrophobicContact CG2-CD1 3.72Å; T573-L577 HydrophobicContact CG2-CG 3.93Å; T573-L577 WeakPolarHBondContact O-CB 3.36Å; T573-L577 VanDerWaalsContact O-CG 3.23Å; T573-L577 WeakPolarHBondContact O-CG 3.33Å; T573-L577 PolarHBondContact O-N 2.94Å
574	P	58.3	Low	66.7	Low	71 Å²	71	60.6 Å²	60.6	46%	0.461	33%	0.327	S	S	.	.	H	α-helix	trans	-64	-31.4	175.7	22.2	-29.5	0	0	0	112	K569 V570 L578	K569-P574 VanDerWaalsContact O-CD 3.3Å; K569-P574 WeakPolarHBondContact O-CD 3.46Å; V570-P574 WeakPolarHBondContact O-CD 3.47Å; V570-P574 WeakPolarHBondContact O-CG 3.49Å; P574-L578 VanDerWaalsContact O-CB 3.24Å; P574-L578 WeakPolarHBondContact O-CB 3.37Å; P574-L578 PolarHBondContact O-N 3.2Å
575	V	64.3	Low	68.4	Low	80 Å²	80	56 Å²	56	49%	0.485	30%	0.303	S	S	.	.	H	α-helix	trans	-68.2	-45.3	174.3	179.9	0	0	0	0	111.1	L572 T573 L578 I579	L572-V575 WeakPolarHBondContact O-CB 3.1Å; L572-V575 PolarHBondContact O-N 2.84Å; L572-V575 VanDerWaalsContact O-N 3.17Å; T573-V575 PolarHBondContact O-N 3.12Å; V575-L578 WeakPolarHBondContact O-CB 3.42Å; V575-L578 PolarHBondContact O-N 3.48Å; V575-I579 WeakPolarHBondContact O-CG1 3.25Å; V575-I579 PolarHBondContact O-N 3.07Å
576	L	67	Low	70.4	Confident	5 Å²	5	51.7 Å²	51.7	3%	0.026	28%	0.277	C	S	.	.	H	α-helix	trans	-65.1	-40.5	178.2	-72.9	170	0	0	0	112.6	F212 F213 L572 T573 L578 I579	F212-L576 HydrophobicContact CE1-CD2 3.9Å; F212-L576 HydrophobicContact CZ-CD1 4.29Å; F212-L576 HydrophobicContact CZ-CD2 3.98Å; F213-L576 HydrophobicContact CE1-CD2 4.23Å; L572-L576 HydrophobicContact CD2-CD1 3.99Å; L572-L576 HydrophobicContact CG-CD1 3.91Å; L572-L576 HydrophobicContact CG-CG 4.22Å; L572-L576 WeakPolarHBondContact O-CG 3.49Å; L572-L576 PolarHBondContact O-N 2.88Å; T573-L576 PolarHBondContact O-N 3.4Å; L576-L578 VanDerWaalsContact C-N 3.26Å; L576-L578 PolarHBondContact O-N 3.07Å; L576-I579 PolarHBondContact O-N 2.74Å
577	L	67.6	Low	71.9	Confident	74 Å²	74	47.1 Å²	47.1	39%	0.387	25%	0.247	S	C	.	.	H	α-helix	trans	-71.1	-21.4	175.9	-66.9	177.6	0	0	0	112.4	C424 L425 V427 T573 I579	C424-L577 WeakPolarHBondContact CB-O 3.46Å; L425-L577 WeakPolarHBondContact O-CD2 3.47Å; V427-L577 HydrophobicContact CB-CD2 4.33Å; V427-L577 HydrophobicContact CG2-CD2 4.16Å; T573-L577 HydrophobicContact CG2-CD1 3.72Å; T573-L577 HydrophobicContact CG2-CG 3.93Å; T573-L577 WeakPolarHBondContact O-CB 3.36Å; T573-L577 VanDerWaalsContact O-CG 3.23Å; T573-L577 WeakPolarHBondContact O-CG 3.33Å; T573-L577 PolarHBondContact O-N 2.94Å; L577-I579 VanDerWaalsContact C-N 3.35Å
578	L	76.6	Confident	73.4	Confident	68 Å²	68	39.2 Å²	39.2	36%	0.356	21%	0.212	S	C	.	.	H	α-helix	trans	-73.6	-30.6	177.7	-171.9	66	0	0	0	111.9	T412 K415 P574 V575 L576 P580	T412-L578 HydrophobicContact CG2-CB 4.25Å; T412-L578 HydrophobicContact CG2-CD2 3.82Å; T412-L578 HydrophobicContact CG2-CG 3.62Å; K415-L578 PolarHBondContact NZ-O 3.44Å; P574-L578 VanDerWaalsContact O-CB 3.24Å; P574-L578 WeakPolarHBondContact O-CB 3.37Å; P574-L578 PolarHBondContact O-N 3.2Å; V575-L578 WeakPolarHBondContact O-CB 3.42Å; V575-L578 PolarHBondContact O-N 3.48Å; L576-L578 VanDerWaalsContact C-N 3.26Å; L576-L578 PolarHBondContact O-N 3.07Å; L578-P580 WeakPolarHBondContact O-CD 3.35Å
579	I	84.2	Confident	75.3	Confident	5 Å²	5	36.3 Å²	36.3	3%	0.026	20%	0.198	C	C	.	.	S	Bend	trans	-67.1	123.6	-175.6	-62.6	166.8	0	0	0	109.5	F213 I408 T412 L425 V575 L576 L577 L584	F213-I579 HydrophobicContact CD1-CD1 4.26Å; F213-I579 HydrophobicContact CE1-CD1 3.45Å; F213-I579 VanDerWaalsContact CE1-CD1 3.45Å; F213-I579 HydrophobicContact CZ-CD1 4.09Å; I408-I579 HydrophobicContact CG2-CD1 4.06Å; I408-I579 HydrophobicContact CG2-CG1 4.19Å; I408-I579 HydrophobicContact CG2-CG2 4.24Å; T412-I579 HydrophobicContact CG2-CG1 4.35Å; L425-I579 HydrophobicContact CD1-CB 4.03Å; L425-I579 HydrophobicContact CD1-CG2 4.05Å; L425-I579 WeakPolarHBondContact CD1-O 3.35Å; L425-I579 PolarHBondContact N-O 3.46Å; V575-I579 WeakPolarHBondContact O-CG1 3.25Å; V575-I579 PolarHBondContact O-N 3.07Å; L576-I579 PolarHBondContact O-N 2.74Å; L577-I579 VanDerWaalsContact C-N 3.35Å; I579-L584 HydrophobicContact CG2-CD1 4.46Å; I579-L584 HydrophobicContact CG2-CD2 4.17Å; I579-L584 HydrophobicContact CG2-CG 4.02Å
580	P	86.5	Confident	77	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-72.4	142.7	174.3	-18	33.1	0	0	0	111.6	L371 K415 V422 L578 P582 V583	L371-P580 HydrophobicContact CD1-CB 3.98Å; L371-P580 HydrophobicContact CD1-CG 4.04Å; K415-P580 HydrophobicContact CB-CG 3.7Å; K415-P580 HydrophobicContact CD-CG 3.87Å; K415-P580 HydrophobicContact CG-CG 3.59Å; V422-P580 HydrophobicContact CG2-CB 3.84Å; V422-P580 HydrophobicContact CG2-CG 4.11Å; L578-P580 WeakPolarHBondContact O-CD 3.35Å; P580-P582 VanDerWaalsContact C-CD 3.45Å; P580-V583 HydrophobicContact CB-CG2 4.06Å; P580-V583 HydrophobicContact CG-CG2 3.98Å; P580-V583 WeakPolarHBondContact O-CB 3.35Å; P580-V583 PolarHBondContact O-N 3.41Å; P580-V583 VanDerWaalsContact O-N 3.16Å
581	M	83.6	Confident	78.5	Confident	34 Å²	34	27.5 Å²	27.5	17%	0.167	15%	0.151	C	C	.	.	H	α-helix	trans	-57.9	-40.6	174.1	-164.6	163.7	97.9	0	0	113.2	E316 I320 P423 V583 L584 L585	E316-M581 HydrophobicContact CG-CE 3.76Å; E316-M581 WeakPolarHBondContact OE1-CE 3.2Å; I320-M581 HydrophobicContact CD1-CE 4.24Å; P423-M581 PolarHBondContact O-N 2.63Å; M581-V583 PolarHBondContact O-N 2.98Å; M581-L584 WeakPolarHBondContact O-CB 3.44Å; M581-L584 PolarHBondContact O-N 2.91Å; M581-L585 WeakPolarHBondContact O-CG 3.43Å; M581-L585 PolarHBondContact O-N 3.28Å
582	P	90.3	Very high	80.1	Confident	0 Å²	0	22 Å²	22	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-59.1	-29.7	176.7	-23.8	32.7	0	0	0	114.5	I320 S368 L371 F372 P580 L585 G586	I320-P582 HydrophobicContact CD1-CG 4.09Å; S368-P582 VanDerWaalsContact CB-CG 3.45Å; S368-P582 VanDerWaalsContact O-CB 3.28Å; S368-P582 WeakPolarHBondContact O-CB 3.17Å; S368-P582 WeakPolarHBondContact OG-CG 3.23Å; L371-P582 HydrophobicContact CB-CB 4.15Å; F372-P582 WeakPolarHBondContact CA-O 3.24Å; F372-P582 HydrophobicContact CB-CB 4.48Å; P580-P582 VanDerWaalsContact C-CD 3.45Å; P582-L585 PolarHBondContact O-N 3.2Å; P582-G586 PolarHBondContact O-N 2.7Å
583	V	91.2	Very high	81.5	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-64.6	-47.3	175.2	171.3	0	0	0	0	109.8	L371 T375 I408 M411 P580 M581 L585 G586 V587	L371-V583 HydrophobicContact CB-CG2 4.01Å; L371-V583 HydrophobicContact CD1-CG2 4.45Å; L371-V583 HydrophobicContact CD2-CG2 4.21Å; L371-V583 HydrophobicContact CG-CG2 4.46Å; T375-V583 HydrophobicContact CG2-CG1 3.94Å; T375-V583 WeakPolarHBondContact CG2-O 3.47Å; I408-V583 HydrophobicContact CB-CG1 4.23Å; I408-V583 HydrophobicContact CG1-CG1 4.08Å; I408-V583 HydrophobicContact CG2-CG1 4.24Å; M411-V583 HydrophobicContact CB-CG1 4.23Å; M411-V583 HydrophobicContact CB-CG2 3.66Å; P580-V583 HydrophobicContact CB-CG2 4.06Å; P580-V583 HydrophobicContact CG-CG2 3.98Å; P580-V583 WeakPolarHBondContact O-CB 3.35Å; P580-V583 PolarHBondContact O-N 3.41Å; P580-V583 VanDerWaalsContact O-N 3.16Å; M581-V583 PolarHBondContact O-N 2.98Å; V583-L585 VanDerWaalsContact C-N 3.33Å; V583-L585 PolarHBondContact O-N 3.5Å; V583-G586 PolarHBondContact O-N 2.85Å; V583-G586 VanDerWaalsContact O-N 3.11Å; V583-V587 WeakPolarHBondContact O-CG2 3.36Å; V583-V587 PolarHBondContact O-N 3.22Å; V583-V587 VanDerWaalsContact O-N 3.07Å
584	L	86.3	Confident	82.8	Confident	8 Å²	8	21.8 Å²	21.8	4%	0.042	12%	0.12	C	C	.	.	H	α-helix	trans	-63.2	-39.6	177.5	-65	178	0	0	0	112.3	L425 I579 M581 G586 V587 F588	L425-L584 HydrophobicContact CD1-CD1 3.53Å; L425-L584 HydrophobicContact CD1-CG 4.45Å; L425-L584 HydrophobicContact CD2-CD1 3.85Å; L425-L584 HydrophobicContact CG-CD1 3.96Å; I579-L584 HydrophobicContact CG2-CD1 4.46Å; I579-L584 HydrophobicContact CG2-CD2 4.17Å; I579-L584 HydrophobicContact CG2-CG 4.02Å; M581-L584 WeakPolarHBondContact O-CB 3.44Å; M581-L584 PolarHBondContact O-N 2.91Å; L584-G586 VanDerWaalsContact C-N 3.27Å; L584-G586 PolarHBondContact O-N 3.48Å; L584-V587 WeakPolarHBondContact O-CB 3.42Å; L584-V587 PolarHBondContact O-N 3.3Å; L584-V587 VanDerWaalsContact O-N 3.12Å; L584-F588 WeakPolarHBondContact O-CG 3.41Å; L584-F588 PolarHBondContact O-N 3.23Å
585	L	88.4	Confident	84.1	Confident	4 Å²	4	18.4 Å²	18.4	2%	0.021	10%	0.098	C	C	.	.	H	α-helix	trans	-59.7	-39.3	173.3	-64.3	-179.9	0	0	0	111.5	E316 L317 I320 F372 M581 P582 V583 V587 F588 L589	E316-L585 HydrophobicContact CB-CD1 3.88Å; E316-L585 HydrophobicContact CB-CD2 3.82Å; E316-L585 HydrophobicContact CG-CD1 3.89Å; E316-L585 HydrophobicContact CG-CD2 3.9Å; E316-L585 HydrophobicContact CG-CG 4.5Å; L317-L585 HydrophobicContact CB-CD1 4.29Å; I320-L585 HydrophobicContact CD1-CD1 4.18Å; F372-L585 VanDerWaalsContact CD2-C 3.43Å; F372-L585 HydrophobicContact CD2-CB 3.56Å; F372-L585 HydrophobicContact CE2-CB 3.75Å; F372-L585 VanDerWaalsContact CE2-O 3.3Å; F372-L585 WeakPolarHBondContact CE2-O 3.16Å; M581-L585 WeakPolarHBondContact O-CG 3.43Å; M581-L585 PolarHBondContact O-N 3.28Å; P582-L585 PolarHBondContact O-N 3.2Å; V583-L585 VanDerWaalsContact C-N 3.33Å; V583-L585 PolarHBondContact O-N 3.5Å; L585-V587 VanDerWaalsContact C-N 3.34Å; L585-V587 PolarHBondContact O-N 3.01Å; L585-F588 HydrophobicContact CD2-CD2 4.26Å; L585-F588 WeakPolarHBondContact O-CB 3.38Å; L585-F588 PolarHBondContact O-N 2.67Å; L585-F588 VanDerWaalsContact O-N 3.17Å; L585-L589 PolarHBondContact O-N 3.06Å
586	G	91.7	Very high	85.3	Confident	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-64.3	-36.9	174.7	0	0	0	0	0	112.9	F372 P582 V583 L584 Y590	F372-G586 WeakPolarHBondContact O-CA 3.48Å; P582-G586 PolarHBondContact O-N 2.7Å; V583-G586 PolarHBondContact O-N 2.85Å; V583-G586 VanDerWaalsContact O-N 3.11Å; L584-G586 VanDerWaalsContact C-N 3.27Å; L584-G586 PolarHBondContact O-N 3.48Å; G586-Y590 PolarHBondContact O-N 3.48Å
587	V	88.5	Confident	86.2	Confident	4 Å²	4	17.9 Å²	17.9	2%	0.024	10%	0.097	C	C	.	.	H	α-helix	trans	-66.7	-40.5	171.3	-170.1	0	0	0	0	111	T375 V404 I408 V583 L584 L585 Y590 M591	T375-V587 HydrophobicContact CG2-CG2 3.52Å; V404-V587 HydrophobicContact CB-CG1 4.36Å; V404-V587 HydrophobicContact CG1-CB 4.49Å; V404-V587 HydrophobicContact CG1-CG1 3.4Å; V404-V587 HydrophobicContact CG1-CG2 4.16Å; V404-V587 HydrophobicContact CG2-CG1 4.06Å; I408-V587 HydrophobicContact CD1-CG2 4.09Å; I408-V587 HydrophobicContact CG1-CG2 3.75Å; V583-V587 WeakPolarHBondContact O-CG2 3.36Å; V583-V587 PolarHBondContact O-N 3.22Å; V583-V587 VanDerWaalsContact O-N 3.07Å; L584-V587 WeakPolarHBondContact O-CB 3.42Å; L584-V587 PolarHBondContact O-N 3.3Å; L584-V587 VanDerWaalsContact O-N 3.12Å; L585-V587 VanDerWaalsContact C-N 3.34Å; L585-V587 PolarHBondContact O-N 3.01Å; V587-Y590 WeakPolarHBondContact O-CB 3.17Å; V587-Y590 PolarHBondContact O-N 3.49Å; V587-M591 HydrophobicContact CB-CE 4.16Å; V587-M591 HydrophobicContact CG1-CE 3.37Å; V587-M591 HydrophobicContact CG1-CG 4.42Å; V587-M591 WeakPolarHBondContact O-CG 3.44Å; V587-M591 PolarHBondContact O-N 3.32Å
588	F	84.1	Confident	87	Confident	10 Å²	10	17.3 Å²	17.3	4%	0.044	9%	0.092	C	C	.	.	H	α-helix	trans	-64.2	-39.4	176.8	-72.3	-23.3	0	0	0	113.1	S217 K218 F309 A313 L584 L585 Y590 M591 G592	S217-F588 WeakPolarHBondContact OG-CE2 3.32Å; S217-F588 WeakPolarHBondContact OG-CZ 3.42Å; K218-F588 HydrophobicContact CG-CZ 4.27Å; F309-F588 HydrophobicContact CD1-CB 4.45Å; F309-F588 HydrophobicContact CE1-CB 3.57Å; F309-F588 AromaticContact CE1-CD1 3.6Å; F309-F588 HydrophobicContact CE1-CD1 3.6Å; F309-F588 HydrophobicContact CE1-CD2 4.49Å; F309-F588 HydrophobicContact CE1-CE1 4.33Å; F309-F588 AromaticContact CE1-CG 3.68Å; F309-F588 HydrophobicContact CE1-CG 3.68Å; F309-F588 HydrophobicContact CZ-CB 3.96Å; F309-F588 AromaticContact CZ-CD1 3.34Å; F309-F588 HydrophobicContact CZ-CD1 3.34Å; F309-F588 HydrophobicContact CZ-CD2 4.02Å; F309-F588 AromaticContact CZ-CE1 3.64Å; F309-F588 HydrophobicContact CZ-CE1 3.64Å; F309-F588 HydrophobicContact CZ-CE2 4.24Å; F309-F588 AromaticContact CZ-CG 3.54Å; F309-F588 HydrophobicContact CZ-CG 3.54Å; F309-F588 HydrophobicContact CZ-CZ 4.04Å; A313-F588 HydrophobicContact CB-CB 3.98Å; L584-F588 WeakPolarHBondContact O-CG 3.41Å; L584-F588 PolarHBondContact O-N 3.23Å; L585-F588 HydrophobicContact CD2-CD2 4.26Å; L585-F588 WeakPolarHBondContact O-CB 3.38Å; L585-F588 PolarHBondContact O-N 2.67Å; L585-F588 VanDerWaalsContact O-N 3.17Å; F588-Y590 VanDerWaalsContact C-N 3.33Å; F588-M591 HydrophobicContact CD1-CE 3.42Å; F588-M591 VanDerWaalsContact CD1-CE 3.42Å; F588-M591 HydrophobicContact CD1-SD 4.17Å; F588-M591 HydrophobicContact CE1-CE 3.75Å; F588-M591 PolarHBondContact O-N 2.9Å; F588-G592 PolarHBondContact O-N 3.49Å
589	L	91	Very high	87.4	Confident	21 Å²	21	14.3 Å²	14.3	11%	0.11	8%	0.076	C	C	.	.	H	α-helix	trans	-57.7	-48.6	170.3	177.2	65.7	0	0	0	110.7	L310 F372 F376 L585 M591 G592 I593	L310-L589 HydrophobicContact CD1-CD1 4.34Å; L310-L589 HydrophobicContact CD2-CD1 4.42Å; L310-L589 HydrophobicContact CG-CD1 3.94Å; F372-L589 HydrophobicContact CD1-CD2 4.49Å; F372-L589 HydrophobicContact CE1-CD2 3.51Å; F372-L589 HydrophobicContact CE2-CB 4.04Å; F372-L589 HydrophobicContact CE2-CD2 4.38Å; F372-L589 HydrophobicContact CZ-CB 3.79Å; F372-L589 HydrophobicContact CZ-CD1 4.45Å; F372-L589 HydrophobicContact CZ-CD2 3.45Å; F372-L589 VanDerWaalsContact CZ-CD2 3.45Å; F372-L589 HydrophobicContact CZ-CG 4.07Å; F376-L589 HydrophobicContact CB-CD2 4.14Å; F376-L589 HydrophobicContact CD1-CD2 4.44Å; F376-L589 HydrophobicContact CD2-CD2 4Å; F376-L589 HydrophobicContact CD2-CG 4Å; F376-L589 HydrophobicContact CE2-CG 4.49Å; F376-L589 HydrophobicContact CG-CD2 3.92Å; F376-L589 HydrophobicContact CG-CG 4.41Å; L585-L589 PolarHBondContact O-N 3.06Å; L589-M591 PolarHBondContact O-N 2.88Å; L589-G592 PolarHBondContact O-N 2.59Å; L589-I593 HydrophobicContact CD1-CD1 3.73Å; L589-I593 HydrophobicContact CD1-CG1 4.27Å; L589-I593 HydrophobicContact CG-CD1 3.86Å; L589-I593 WeakPolarHBondContact O-CG1 3.5Å; L589-I593 PolarHBondContact O-N 3.15Å
590	Y	89.6	Confident	87.6	Confident	7 Å²	7	15.4 Å²	15.4	3%	0.027	8%	0.081	C	C	.	.	H	α-helix	trans	-57.3	-47.6	176	165.6	-100.1	0	0	0	112.1	A379 E380 K383 N403 V404 M521 G586 V587 F588 G592 I593 V594	A379-Y590 HydrophobicContact CB-CD1 4.15Å; A379-Y590 HydrophobicContact CB-CD2 3.89Å; A379-Y590 HydrophobicContact CB-CE1 4.44Å; A379-Y590 HydrophobicContact CB-CE2 4.19Å; A379-Y590 HydrophobicContact CB-CG 3.87Å; E380-Y590 HydrophobicContact CB-CD2 4.44Å; E380-Y590 WeakPolarHBondContact OE2-CE2 3.26Å; K383-Y590 HydrophobicContact CD-CE2 4.44Å; K383-Y590 WeakPolarHBondContact CD-OH 3.3Å; N403-Y590 PolarHBondContact ND2-OH 2.94Å; V404-Y590 HydrophobicContact CG2-CD1 4Å; V404-Y590 HydrophobicContact CG2-CE1 3.72Å; M521-Y590 HydrophobicContact CE-CE1 4.4Å; G586-Y590 PolarHBondContact O-N 3.48Å; V587-Y590 WeakPolarHBondContact O-CB 3.17Å; V587-Y590 PolarHBondContact O-N 3.49Å; F588-Y590 VanDerWaalsContact C-N 3.33Å; Y590-G592 PolarHBondContact O-N 3.05Å; Y590-I593 PolarHBondContact O-N 3.03Å; Y590-V594 HydrophobicContact CD2-CG2 3.97Å; Y590-V594 HydrophobicContact CE1-CG2 4.37Å; Y590-V594 HydrophobicContact CE2-CG2 3.5Å; Y590-V594 WeakPolarHBondContact O-CB 3.46Å; Y590-V594 WeakPolarHBondContact O-CG2 3.39Å; Y590-V594 PolarHBondContact O-N 3.06Å
591	M	84.6	Confident	87.9	Confident	4 Å²	4	15.4 Å²	15.4	2%	0.02	8%	0.081	C	C	.	.	H	α-helix	trans	-61.4	-43.9	177.8	-70.4	-174.4	-126.7	0	0	112.2	F210 A214 M521 V587 F588 L589 S595	F210-M591 HydrophobicContact CE2-CE 3.74Å; F210-M591 HydrophobicContact CE2-CG 3.84Å; F210-M591 HydrophobicContact CE2-SD 3.52Å; F210-M591 VanDerWaalsContact CE2-SD 3.52Å; F210-M591 HydrophobicContact CZ-CE 4.23Å; F210-M591 HydrophobicContact CZ-CG 4.01Å; F210-M591 HydrophobicContact CZ-SD 3.47Å; F210-M591 WeakPolarHBondContact CZ-SD 3.29Å; A214-M591 HydrophobicContact CB-CE 4.15Å; A214-M591 HydrophobicContact CB-SD 4.41Å; M521-M591 HydrophobicContact CE-CB 4.37Å; M521-M591 HydrophobicContact CE-CG 4.15Å; M521-M591 HydrophobicContact CG-CB 4.06Å; M521-M591 HydrophobicContact CG-CG 4.2Å; M521-M591 HydrophobicContact SD-CB 4.24Å; V587-M591 HydrophobicContact CB-CE 4.16Å; V587-M591 HydrophobicContact CG1-CE 3.37Å; V587-M591 HydrophobicContact CG1-CG 4.42Å; V587-M591 WeakPolarHBondContact O-CG 3.44Å; V587-M591 PolarHBondContact O-N 3.32Å; F588-M591 HydrophobicContact CD1-CE 3.42Å; F588-M591 VanDerWaalsContact CD1-CE 3.42Å; F588-M591 HydrophobicContact CD1-SD 4.17Å; F588-M591 HydrophobicContact CE1-CE 3.75Å; F588-M591 PolarHBondContact O-N 2.9Å; L589-M591 PolarHBondContact O-N 2.88Å; M591-S595 VanDerWaalsContact O-CB 3.22Å; M591-S595 WeakPolarHBondContact O-CB 3.28Å; M591-S595 PolarHBondContact O-N 3.11Å
592	G	86.4	Confident	88.3	Confident	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-61.6	-45.6	178.7	0	0	0	0	0	112.1	F588 L589 Y590 L596	F588-G592 PolarHBondContact O-N 3.49Å; L589-G592 PolarHBondContact O-N 2.59Å; Y590-G592 PolarHBondContact O-N 3.05Å; G592-L596 VanDerWaalsContact O-CB 3.31Å; G592-L596 WeakPolarHBondContact O-CB 3.36Å; G592-L596 PolarHBondContact O-N 3Å
593	I	90.7	Very high	88.3	Confident	59 Å²	59	18.4 Å²	18.4	30%	0.303	9%	0.094	S	C	.	.	H	α-helix	trans	-67.1	-46.7	-179.9	-68.6	170.1	0	0	0	111.5	L310 F376 L589 Y590 L596 S597	L310-I593 HydrophobicContact CD1-CD1 4.45Å; L310-I593 HydrophobicContact CD1-CG1 3.55Å; F376-I593 HydrophobicContact CD2-CD1 4.28Å; F376-I593 HydrophobicContact CE2-CD1 3.45Å; F376-I593 VanDerWaalsContact CE2-CD1 3.45Å; F376-I593 HydrophobicContact CZ-CD1 3.74Å; L589-I593 HydrophobicContact CD1-CD1 3.73Å; L589-I593 HydrophobicContact CD1-CG1 4.27Å; L589-I593 HydrophobicContact CG-CD1 3.86Å; L589-I593 WeakPolarHBondContact O-CG1 3.5Å; L589-I593 PolarHBondContact O-N 3.15Å; Y590-I593 PolarHBondContact O-N 3.03Å; I593-L596 PolarHBondContact O-N 2.77Å; I593-S597 WeakPolarHBondContact O-CB 3.35Å; I593-S597 PolarHBondContact O-N 3.3Å
594	V	87.4	Confident	88.4	Confident	4 Å²	4	18.5 Å²	18.5	2%	0.024	10%	0.095	C	C	.	.	H	α-helix	trans	-60.2	-49.2	177.9	166.6	0	0	0	0	110.6	K383 M521 Y590 L596 S597 E598	K383-V594 HydrophobicContact CD-CG2 4.41Å; M521-V594 HydrophobicContact CE-CB 4.23Å; M521-V594 HydrophobicContact CE-CG1 3.93Å; M521-V594 HydrophobicContact SD-CB 4.17Å; M521-V594 HydrophobicContact SD-CG1 3.92Å; Y590-V594 HydrophobicContact CD2-CG2 3.97Å; Y590-V594 HydrophobicContact CE1-CG2 4.37Å; Y590-V594 HydrophobicContact CE2-CG2 3.5Å; Y590-V594 WeakPolarHBondContact O-CB 3.46Å; Y590-V594 WeakPolarHBondContact O-CG2 3.39Å; Y590-V594 PolarHBondContact O-N 3.06Å; V594-L596 VanDerWaalsContact C-N 3.27Å; V594-L596 PolarHBondContact O-N 3.29Å; V594-S597 PolarHBondContact O-N 3.03Å; V594-S597 VanDerWaalsContact O-N 3.15Å; V594-S597 PolarHBondContact O-OG 3.04Å; V594-E598 WeakPolarHBondContact O-CG 3.47Å; V594-E598 PolarHBondContact O-N 3.09Å
595	S	85.2	Confident	88.8	Confident	0 Å²	0	20 Å²	20	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-60.2	-37.1	179.1	-178.4	0	0	0	0	112.4	S306 M591	S306-S595 PolarHBondContact OG-OG 3.27Å; M591-S595 VanDerWaalsContact O-CB 3.22Å; M591-S595 WeakPolarHBondContact O-CB 3.28Å; M591-S595 PolarHBondContact O-N 3.11Å
596	L	90.1	Very high	89	Confident	19 Å²	19	24 Å²	24	10%	0.099	12%	0.123	C	C	.	.	H	α-helix	trans	-67.6	-42.9	175.7	-173.8	67	0	0	0	112	T303 G592 I593 V594 E598 Q599 F602	T303-L596 HydrophobicContact CG2-CD1 3.58Å; G592-L596 VanDerWaalsContact O-CB 3.31Å; G592-L596 WeakPolarHBondContact O-CB 3.36Å; G592-L596 PolarHBondContact O-N 3Å; I593-L596 PolarHBondContact O-N 2.77Å; V594-L596 VanDerWaalsContact C-N 3.27Å; V594-L596 PolarHBondContact O-N 3.29Å; L596-E598 PolarHBondContact O-N 3.32Å; L596-Q599 PolarHBondContact O-N 3.13Å; L596-F602 HydrophobicContact CD1-CB 4.23Å; L596-F602 HydrophobicContact CD1-CD2 3.82Å; L596-F602 HydrophobicContact CD1-CE2 4.37Å; L596-F602 HydrophobicContact CD1-CG 4.03Å; L596-F602 HydrophobicContact CD2-CD2 3.87Å; L596-F602 HydrophobicContact CD2-CE1 4.26Å; L596-F602 HydrophobicContact CD2-CE2 3.56Å; L596-F602 HydrophobicContact CD2-CG 4.35Å; L596-F602 HydrophobicContact CD2-CZ 3.78Å; L596-F602 HydrophobicContact CG-CB 4.34Å; L596-F602 HydrophobicContact CG-CD1 3.99Å; L596-F602 HydrophobicContact CG-CD2 3.67Å; L596-F602 HydrophobicContact CG-CE1 4.16Å; L596-F602 HydrophobicContact CG-CE2 3.88Å; L596-F602 HydrophobicContact CG-CG 3.73Å; L596-F602 HydrophobicContact CG-CZ 4.11Å; L596-F602 WeakPolarHBondContact O-CB 3.39Å; L596-F602 WeakPolarHBondContact O-CD1 3.47Å
597	S	86.8	Confident	89	Confident	55 Å²	55	24.2 Å²	24.2	39%	0.385	12%	0.124	S	C	.	.	H	α-helix	trans	-63.4	-23.7	-178.9	75.7	0	0	0	0	113.9	I593 V594 Q603	I593-S597 WeakPolarHBondContact O-CB 3.35Å; I593-S597 PolarHBondContact O-N 3.3Å; V594-S597 PolarHBondContact O-N 3.03Å; V594-S597 VanDerWaalsContact O-N 3.15Å; V594-S597 PolarHBondContact O-OG 3.04Å; S597-Q603 PolarHBondContact O-NE2 3.49Å
598	E	83.4	Confident	89.1	Confident	61 Å²	61	27.5 Å²	27.5	29%	0.285	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-18.3	-179.8	-71.7	179.3	-175.4	0	0	113.7	D524 V594 L596	D524-E598 VanDerWaalsContact OD2-OE1 3.12Å; V594-E598 WeakPolarHBondContact O-CG 3.47Å; V594-E598 PolarHBondContact O-N 3.09Å; L596-E598 PolarHBondContact O-N 3.32Å
599	Q	86.1	Confident	89.5	Confident	5 Å²	5	35.2 Å²	35.2	2%	0.023	18%	0.175	C	C	.	.			trans	-78.4	128.6	179.8	-60.1	-58.8	-24.9	0	0	111.4	A302 L596 F601 F602 Q603	A302-Q599 HydrophobicContact CB-CG 4.3Å; L596-Q599 PolarHBondContact O-N 3.13Å; Q599-F601 PolarHBondContact O-N 2.79Å; Q599-F602 HydrophobicContact CB-CB 4.42Å; Q599-F602 PolarHBondContact O-N 3.24Å; Q599-F602 VanDerWaalsContact O-N 3.14Å; Q599-Q603 PolarHBondContact O-N 3.02Å
600	Q	88.8	Confident	89.5	Confident	28 Å²	28	37.5 Å²	37.5	13%	0.131	19%	0.186	C	C	.	.	H	α-helix	trans	-65.8	-30.2	178.4	-62.1	-170.3	0.2	0	0	112.3	R295 E299 E481 F602 Q603 R604	R295-Q600 VanDerWaalsContact CZ-NE2 3.26Å; R295-Q600 VanDerWaalsContact NH2-CG 3.33Å; E299-Q600 WeakPolarHBondContact OE1-CB 3.29Å; E481-Q600 PolarHBondContact OE1-NE2 3.11Å; Q600-F602 VanDerWaalsContact C-N 3.31Å; Q600-F602 PolarHBondContact O-N 2.61Å; Q600-Q603 CarbonylContact O-C 3.57Å; Q600-Q603 WeakPolarHBondContact O-CB 3.4Å; Q600-Q603 PolarHBondContact O-N 3.44Å; Q600-R604 WeakPolarHBondContact O-CB 3.07Å; Q600-R604 WeakPolarHBondContact O-CG 3.41Å; Q600-R604 PolarHBondContact O-N 3.32Å
601	F	92.3	Very high	89.6	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-53.8	-48.3	171.4	172.5	-129.5	0	0	0	112	E299 T303 Q599 Q603 R604 I605 T633 Q636 V637 F640	E299-F601 HydrophobicContact CB-CB 3.69Å; E299-F601 PolarHBondContact OE2-N 3.48Å; T303-F601 HydrophobicContact CG2-CD1 3.84Å; T303-F601 HydrophobicContact CG2-CE1 3.9Å; Q599-F601 PolarHBondContact O-N 2.79Å; F601-Q603 VanDerWaalsContact C-N 3.35Å; F601-Q603 PolarHBondContact O-N 2.89Å; F601-R604 WeakPolarHBondContact O-CB 3.46Å; F601-R604 PolarHBondContact O-N 3.21Å; F601-I605 HydrophobicContact CD1-CD1 4.33Å; F601-I605 HydrophobicContact CD2-CD1 4.22Å; F601-I605 HydrophobicContact CD2-CG1 4.36Å; F601-I605 HydrophobicContact CE1-CD1 3.87Å; F601-I605 HydrophobicContact CE2-CD1 3.76Å; F601-I605 HydrophobicContact CE2-CG1 4.04Å; F601-I605 HydrophobicContact CZ-CD1 3.58Å; F601-I605 HydrophobicContact CZ-CG1 4.35Å; F601-I605 WeakPolarHBondContact O-CG1 3.34Å; F601-I605 PolarHBondContact O-N 3.15Å; F601-T633 HydrophobicContact CE2-CG2 4.48Å; F601-Q636 HydrophobicContact CD2-CB 4.15Å; F601-Q636 HydrophobicContact CD2-CG 3.71Å; F601-Q636 HydrophobicContact CE2-CB 3.78Å; F601-Q636 HydrophobicContact CE2-CG 3.61Å; F601-Q636 HydrophobicContact CG-CG 4.39Å; F601-Q636 HydrophobicContact CZ-CG 4.23Å; F601-V637 HydrophobicContact CE2-CG2 3.74Å; F601-V637 HydrophobicContact CZ-CG2 3.87Å; F601-F640 HydrophobicContact CE1-CB 4.1Å; F601-F640 AromaticContact CE1-CD2 3.93Å; F601-F640 HydrophobicContact CE1-CD2 3.93Å; F601-F640 AromaticContact CE1-CG 3.92Å; F601-F640 HydrophobicContact CE1-CG 3.92Å; F601-F640 HydrophobicContact CZ-CB 3.9Å; F601-F640 HydrophobicContact CZ-CG 4.08Å
602	F	91.4	Very high	89.5	Confident	55 Å²	55	48.5 Å²	48.5	24%	0.241	24%	0.242	C	C	.	.	H	α-helix	trans	-64	-40.8	177.2	-175.1	-109.7	0	0	0	111.8	L596 Q599 Q600 R604 I605 L606	L596-F602 HydrophobicContact CD1-CB 4.23Å; L596-F602 HydrophobicContact CD1-CD2 3.82Å; L596-F602 HydrophobicContact CD1-CE2 4.37Å; L596-F602 HydrophobicContact CD1-CG 4.03Å; L596-F602 HydrophobicContact CD2-CD2 3.87Å; L596-F602 HydrophobicContact CD2-CE1 4.26Å; L596-F602 HydrophobicContact CD2-CE2 3.56Å; L596-F602 HydrophobicContact CD2-CG 4.35Å; L596-F602 HydrophobicContact CD2-CZ 3.78Å; L596-F602 HydrophobicContact CG-CB 4.34Å; L596-F602 HydrophobicContact CG-CD1 3.99Å; L596-F602 HydrophobicContact CG-CD2 3.67Å; L596-F602 HydrophobicContact CG-CE1 4.16Å; L596-F602 HydrophobicContact CG-CE2 3.88Å; L596-F602 HydrophobicContact CG-CG 3.73Å; L596-F602 HydrophobicContact CG-CZ 4.11Å; L596-F602 WeakPolarHBondContact O-CB 3.39Å; L596-F602 WeakPolarHBondContact O-CD1 3.47Å; Q599-F602 HydrophobicContact CB-CB 4.42Å; Q599-F602 PolarHBondContact O-N 3.24Å; Q599-F602 VanDerWaalsContact O-N 3.14Å; Q600-F602 VanDerWaalsContact C-N 3.31Å; Q600-F602 PolarHBondContact O-N 2.61Å; F602-R604 VanDerWaalsContact C-N 3.33Å; F602-R604 PolarHBondContact O-N 3.29Å; F602-I605 WeakPolarHBondContact O-CB 3.31Å; F602-I605 PolarHBondContact O-N 3.43Å; F602-L606 HydrophobicContact CD1-CD1 4.02Å; F602-L606 HydrophobicContact CD1-CG 4.47Å; F602-L606 HydrophobicContact CE1-CD1 3.68Å; F602-L606 HydrophobicContact CE1-CG 4.18Å; F602-L606 HydrophobicContact CZ-CD1 4.3Å; F602-L606 HydrophobicContact CZ-CD2 4.33Å; F602-L606 HydrophobicContact CZ-CG 4.37Å; F602-L606 WeakPolarHBondContact O-CG 3.41Å; F602-L606 PolarHBondContact O-N 3.24Å
603	Q	91.1	Very high	89.6	Confident	43 Å²	43	58 Å²	58	20%	0.201	28%	0.283	C	S	.	.	H	α-helix	trans	-62.5	-38.7	174.6	-62.9	173.3	2.9	0	0	112.3	S597 Q599 Q600 F601 L606 I607 Y618	S597-Q603 PolarHBondContact O-NE2 3.49Å; Q599-Q603 PolarHBondContact O-N 3.02Å; Q600-Q603 CarbonylContact O-C 3.57Å; Q600-Q603 WeakPolarHBondContact O-CB 3.4Å; Q600-Q603 PolarHBondContact O-N 3.44Å; F601-Q603 VanDerWaalsContact C-N 3.35Å; F601-Q603 PolarHBondContact O-N 2.89Å; Q603-L606 PolarHBondContact O-N 3.46Å; Q603-I607 WeakPolarHBondContact O-CD1 3.38Å; Q603-I607 VanDerWaalsContact O-CG1 3.28Å; Q603-I607 WeakPolarHBondContact O-CG1 3.18Å; Q603-I607 PolarHBondContact O-N 3.06Å; Q603-Y618 PolarHBondContact OE1-OH 3.03Å
604	R	92.9	Very high	89.4	Confident	2 Å²	2	63.8 Å²	63.8	1%	0.008	30%	0.303	C	S	.	.	H	α-helix	trans	-65	-37.7	174.6	-73.8	-168.3	-61.9	-89	-1.2	111.8	E299 Q600 F601 F602 I607 I608 W620 T633	E299-R604 IonicContact OE2-CZ 2.75Å; E299-R604 IonicContact OE2-NH1 3.62Å; E299-R604 PolarHBondContact OE2-NH1 3.02Å; E299-R604 IonicContact OE2-NH2 3.05Å; E299-R604 PolarHBondContact OE2-NH2 2.98Å; Q600-R604 WeakPolarHBondContact O-CB 3.07Å; Q600-R604 WeakPolarHBondContact O-CG 3.41Å; Q600-R604 PolarHBondContact O-N 3.32Å; F601-R604 WeakPolarHBondContact O-CB 3.46Å; F601-R604 PolarHBondContact O-N 3.21Å; F602-R604 VanDerWaalsContact C-N 3.33Å; F602-R604 PolarHBondContact O-N 3.29Å; R604-I607 PolarHBondContact O-N 3.07Å; R604-I608 PolarHBondContact O-N 3.46Å; R604-W620 HydrophobicContact CG-CH2 3.68Å; R604-W620 HydrophobicContact CG-CZ2 4.15Å; R604-W620 HydrophobicContact CG-CZ3 4.22Å; R604-T633 HydrophobicContact CB-CG2 3.85Å
605	I	93.7	Very high	89.3	Confident	40 Å²	40	65.3 Å²	65.3	21%	0.205	31%	0.309	C	S	.	.	H	α-helix	trans	-61.3	-48	172.1	-66.7	167.8	0	0	0	110.3	F601 F602 I607 I608 F609 T633 V637	F601-I605 HydrophobicContact CD1-CD1 4.33Å; F601-I605 HydrophobicContact CD2-CD1 4.22Å; F601-I605 HydrophobicContact CD2-CG1 4.36Å; F601-I605 HydrophobicContact CE1-CD1 3.87Å; F601-I605 HydrophobicContact CE2-CD1 3.76Å; F601-I605 HydrophobicContact CE2-CG1 4.04Å; F601-I605 HydrophobicContact CZ-CD1 3.58Å; F601-I605 HydrophobicContact CZ-CG1 4.35Å; F601-I605 WeakPolarHBondContact O-CG1 3.34Å; F601-I605 PolarHBondContact O-N 3.15Å; F602-I605 WeakPolarHBondContact O-CB 3.31Å; F602-I605 PolarHBondContact O-N 3.43Å; I605-I607 PolarHBondContact O-N 3.13Å; I605-I608 WeakPolarHBondContact O-CB 3.49Å; I605-I608 PolarHBondContact O-N 3.49Å; I605-I608 VanDerWaalsContact O-N 3.12Å; I605-F609 HydrophobicContact CG2-CE2 4.42Å; I605-F609 WeakPolarHBondContact O-CD2 3.48Å; I605-T633 HydrophobicContact CG1-CG2 4.12Å; I605-V637 HydrophobicContact CD1-CG2 4.08Å; I605-V637 HydrophobicContact CG1-CG2 3.95Å
606	L	92.6	Very high	89.1	Confident	88 Å²	88	67.4 Å²	67.4	46%	0.461	32%	0.323	S	S	.	.	H	α-helix	trans	-59.8	-36.5	177.6	-68.1	175.4	0	0	0	112.2	F602 Q603 I608 F609 M610	F602-L606 HydrophobicContact CD1-CD1 4.02Å; F602-L606 HydrophobicContact CD1-CG 4.47Å; F602-L606 HydrophobicContact CE1-CD1 3.68Å; F602-L606 HydrophobicContact CE1-CG 4.18Å; F602-L606 HydrophobicContact CZ-CD1 4.3Å; F602-L606 HydrophobicContact CZ-CD2 4.33Å; F602-L606 HydrophobicContact CZ-CG 4.37Å; F602-L606 WeakPolarHBondContact O-CG 3.41Å; F602-L606 PolarHBondContact O-N 3.24Å; Q603-L606 PolarHBondContact O-N 3.46Å; L606-I608 VanDerWaalsContact C-N 3.27Å; L606-I608 PolarHBondContact O-N 3.11Å; L606-F609 PolarHBondContact O-N 3.43Å; L606-F609 VanDerWaalsContact O-N 3.13Å; L606-M610 PolarHBondContact O-N 3.15Å
607	I	91.6	Very high	88.5	Confident	4 Å²	4	74.5 Å²	74.5	2%	0.021	36%	0.361	C	S	.	.	H	α-helix	trans	-65.9	-26.1	178.8	-74	163.1	0	0	0	112.7	Q603 R604 I605 F609 M610 P616 Y618 W620 I626	Q603-I607 WeakPolarHBondContact O-CD1 3.38Å; Q603-I607 VanDerWaalsContact O-CG1 3.28Å; Q603-I607 WeakPolarHBondContact O-CG1 3.18Å; Q603-I607 PolarHBondContact O-N 3.06Å; R604-I607 PolarHBondContact O-N 3.07Å; I605-I607 PolarHBondContact O-N 3.13Å; I607-F609 PolarHBondContact O-N 3.4Å; I607-M610 PolarHBondContact O-N 3.35Å; I607-M610 VanDerWaalsContact O-N 3.15Å; I607-P616 HydrophobicContact CD1-CG 4.5Å; I607-Y618 HydrophobicContact CD1-CD2 4.1Å; I607-Y618 HydrophobicContact CD1-CE2 4.02Å; I607-W620 HydrophobicContact CD1-CH2 3.5Å; I607-W620 VanDerWaalsContact CD1-CH2 3.5Å; I607-W620 HydrophobicContact CD1-CZ2 4.15Å; I607-W620 HydrophobicContact CD1-CZ3 4.45Å; I607-I626 HydrophobicContact CG2-CD1 4.09Å
608	I	92	Very high	88.2	Confident	72 Å²	72	75.7 Å²	75.7	37%	0.369	36%	0.358	S	S	.	.	H	α-helix	trans	-59.5	-37.5	173	-65.4	168.2	0	0	0	110.9	R604 I605 L606 H630 T633	R604-I608 PolarHBondContact O-N 3.46Å; I605-I608 WeakPolarHBondContact O-CB 3.49Å; I605-I608 PolarHBondContact O-N 3.49Å; I605-I608 VanDerWaalsContact O-N 3.12Å; L606-I608 VanDerWaalsContact C-N 3.27Å; L606-I608 PolarHBondContact O-N 3.11Å; I608-H630 WeakPolarHBondContact CG1-ND1 3.41Å; I608-T633 HydrophobicContact CD1-CG2 3.84Å
609	F	92	Very high	87.6	Confident	172 Å²	172	78.6 Å²	78.6	75%	0.754	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-0.2	179.8	-58.2	-76.2	0	0	0	113.1	I605 L606 I607	I605-F609 HydrophobicContact CG2-CE2 4.42Å; I605-F609 WeakPolarHBondContact O-CD2 3.48Å; L606-F609 PolarHBondContact O-N 3.43Å; L606-F609 VanDerWaalsContact O-N 3.13Å; I607-F609 PolarHBondContact O-N 3.4Å
610	M	91	Very high	87.3	Confident	69 Å²	69	79.2 Å²	79.2	34%	0.34	38%	0.377	S	S	.	.	S	Bend	trans	-99.2	121	-176.5	-171.1	174.9	-86.6	0	0	111.5	L606 I607 Q615	L606-M610 PolarHBondContact O-N 3.15Å; I607-M610 PolarHBondContact O-N 3.35Å; I607-M610 VanDerWaalsContact O-N 3.15Å; M610-Q615 HydrophobicContact CB-CG 4.45Å; M610-Q615 HydrophobicContact CG-CG 4.08Å; M610-Q615 PolarHBondContact O-NE2 3.06Å; M610-Q615 VanDerWaalsContact O-NE2 3.13Å; M610-Q615 HydrophobicContact SD-CG 4.16Å
611	P	90.6	Very high	86.9	Confident	82 Å²	82	79.4 Å²	79.4	53%	0.532	38%	0.379	S	S	.	.			trans	-63.7	145	175.2	24.9	-32.6	0	0	0	111.3	K613 Y614	P611-K613 PolarHBondContact O-N 2.86Å; P611-Y614 HydrophobicContact CG-CD2 3.87Å; P611-Y614 PolarHBondContact O-N 3.3Å
612	K	84.3	Confident	86.2	Confident	160 Å²	160	90.1 Å²	90.1	70%	0.696	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-50.5	-30	-173.4	-65.7	-174.8	-179.6	-177.7	0	115.4	Y614	K612-Y614 VanDerWaalsContact C-N 3.31Å; K612-Y614 PolarHBondContact O-N 3.44Å
613	K	88.2	Confident	85.3	Confident	201 Å²	201	92.9 Å²	92.9	87%	0.874	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-68.5	-27.1	-178.8	-67.4	-174.2	179.6	-178.1	0	113.9	P611	P611-K613 PolarHBondContact O-N 2.86Å
614	Y	86.3	Confident	84.9	Confident	180 Å²	180	91.1 Å²	91.1	71%	0.706	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-106.3	4.9	-176.2	-65	-87.2	0	0	0	112.5	P611 K612	P611-Y614 HydrophobicContact CG-CD2 3.87Å; P611-Y614 PolarHBondContact O-N 3.3Å; K612-Y614 VanDerWaalsContact C-N 3.31Å; K612-Y614 PolarHBondContact O-N 3.44Å
615	Q	85.3	Confident	84.5	Confident	35 Å²	35	97.6 Å²	97.6	16%	0.164	46%	0.455	C	S	.	.			trans	-66.7	135.9	-179.4	-72.3	180	-8.7	0	0	110.5	M610 L621	M610-Q615 HydrophobicContact CB-CG 4.45Å; M610-Q615 HydrophobicContact CG-CG 4.08Å; M610-Q615 PolarHBondContact O-NE2 3.06Å; M610-Q615 VanDerWaalsContact O-NE2 3.13Å; M610-Q615 HydrophobicContact SD-CG 4.16Å; Q615-L621 HydrophobicContact CB-CD2 3.98Å
616	P	81.4	Confident	84.3	Confident	44 Å²	44	97.2 Å²	97.2	29%	0.286	45%	0.453	S	S	.	.			trans	-69.7	151.5	176.9	29.5	-35.9	0	0	0	111.4	I607 Y618 L621	I607-P616 HydrophobicContact CD1-CG 4.5Å; P616-Y618 VanDerWaalsContact C-N 3.3Å; P616-Y618 HydrophobicContact CB-CD2 4.33Å; P616-Y618 HydrophobicContact CB-CE1 4.43Å; P616-Y618 HydrophobicContact CB-CE2 4.01Å; P616-Y618 HydrophobicContact CG-CD2 3.65Å; P616-Y618 HydrophobicContact CG-CE1 4.49Å; P616-Y618 HydrophobicContact CG-CE2 3.24Å; P616-Y618 HydrophobicContact CG-CG 4.46Å; P616-Y618 PolarHBondContact O-N 2.95Å; P616-L621 WeakPolarHBondContact O-CD2 2.92Å
617	D	76.1	Confident	84.2	Confident	169 Å²	169	103.3 Å²	103.3	90%	0.904	47%	0.47	S	S	*	.			trans	-78.1	74.3	179.3	-65.2	-35.1	0	0	0	111.7
618	Y	80.2	Confident	84.2	Confident	80 Å²	80	107.5 Å²	107.5	31%	0.314	49%	0.486	S	S	.	.			trans	-86.7	143.6	171.5	-64.4	-46.7	0	0	0	112.1	Q603 I607 P616 W620 L621 R622	Q603-Y618 PolarHBondContact OE1-OH 3.03Å; I607-Y618 HydrophobicContact CD1-CD2 4.1Å; I607-Y618 HydrophobicContact CD1-CE2 4.02Å; P616-Y618 VanDerWaalsContact C-N 3.3Å; P616-Y618 HydrophobicContact CB-CD2 4.33Å; P616-Y618 HydrophobicContact CB-CE1 4.43Å; P616-Y618 HydrophobicContact CB-CE2 4.01Å; P616-Y618 HydrophobicContact CG-CD2 3.65Å; P616-Y618 HydrophobicContact CG-CE1 4.49Å; P616-Y618 HydrophobicContact CG-CE2 3.24Å; P616-Y618 HydrophobicContact CG-CG 4.46Å; P616-Y618 PolarHBondContact O-N 2.95Å; Y618-W620 VanDerWaalsContact C-N 3.34Å; Y618-W620 AromaticContact CD2-CE2 3.8Å; Y618-W620 AromaticContact CD2-CH2 3.95Å; Y618-W620 HydrophobicContact CD2-CH2 3.95Å; Y618-W620 AromaticContact CD2-CZ2 3.3Å; Y618-W620 HydrophobicContact CD2-CZ2 3.3Å; Y618-W620 AromaticContact CE2-CZ2 3.97Å; Y618-W620 HydrophobicContact CE2-CZ2 3.97Å; Y618-W620 AromaticContact CG-CE2 3.89Å; Y618-W620 AromaticContact CG-CZ2 3.9Å; Y618-W620 HydrophobicContact CG-CZ2 3.9Å; Y618-W620 AromaticContact CG-NE1 3.86Å; Y618-W620 PolarHBondContact O-N 3.19Å; Y618-L621 WeakPolarHBondContact O-CB 3.49Å; Y618-L621 PolarHBondContact O-N 2.75Å; Y618-L621 VanDerWaalsContact O-N 3.16Å; Y618-R622 PolarHBondContact O-N 3.47Å
619	L	72.3	Confident	84.2	Confident	122 Å²	122	104.1 Å²	104.1	64%	0.639	47%	0.468	S	S	*	.	H	α-helix	trans	-58.6	-45	-179.8	-174.7	71.9	0	0	0	112.1	L621 R622 Q623	L619-L621 VanDerWaalsContact C-N 3.28Å; L619-L621 PolarHBondContact O-N 3.05Å; L619-R622 WeakPolarHBondContact O-CB 3.18Å; L619-R622 PolarHBondContact O-N 3.16Å; L619-Q623 PolarHBondContact O-N 3Å
620	W	78.8	Confident	84.2	Confident	18 Å²	18	98.6 Å²	98.6	7%	0.068	45%	0.445	C	S	.	.	H	α-helix	trans	-67.2	-28.8	179.9	52.3	-101.9	0	0	0	112.7	R604 I607 Y618 R622 Q623 V624 V629 V682 L683	R604-W620 HydrophobicContact CG-CH2 3.68Å; R604-W620 HydrophobicContact CG-CZ2 4.15Å; R604-W620 HydrophobicContact CG-CZ3 4.22Å; I607-W620 HydrophobicContact CD1-CH2 3.5Å; I607-W620 VanDerWaalsContact CD1-CH2 3.5Å; I607-W620 HydrophobicContact CD1-CZ2 4.15Å; I607-W620 HydrophobicContact CD1-CZ3 4.45Å; Y618-W620 VanDerWaalsContact C-N 3.34Å; Y618-W620 AromaticContact CD2-CE2 3.8Å; Y618-W620 AromaticContact CD2-CH2 3.95Å; Y618-W620 HydrophobicContact CD2-CH2 3.95Å; Y618-W620 AromaticContact CD2-CZ2 3.3Å; Y618-W620 HydrophobicContact CD2-CZ2 3.3Å; Y618-W620 AromaticContact CE2-CZ2 3.97Å; Y618-W620 HydrophobicContact CE2-CZ2 3.97Å; Y618-W620 AromaticContact CG-CE2 3.89Å; Y618-W620 AromaticContact CG-CZ2 3.9Å; Y618-W620 HydrophobicContact CG-CZ2 3.9Å; Y618-W620 AromaticContact CG-NE1 3.86Å; Y618-W620 PolarHBondContact O-N 3.19Å; W620-R622 VanDerWaalsContact C-N 3.33Å; W620-Q623 PolarHBondContact O-N 3.16Å; W620-V624 PolarHBondContact O-N 3.06Å; W620-V624 VanDerWaalsContact O-N 3.07Å; W620-V629 HydrophobicContact CE3-CG1 4.35Å; W620-V629 HydrophobicContact CZ3-CG1 3.74Å; W620-V682 HydrophobicContact CB-CG1 3.65Å; W620-L683 HydrophobicContact CE3-CD2 4.41Å
621	L	80.7	Confident	84.3	Confident	32 Å²	32	99.2 Å²	99.2	17%	0.168	45%	0.449	C	S	.	.	H	α-helix	trans	-71.9	-29.1	175.7	-168.2	66.8	0	0	0	112	Q615 P616 Y618 L619 I626	Q615-L621 HydrophobicContact CB-CD2 3.98Å; P616-L621 WeakPolarHBondContact O-CD2 2.92Å; Y618-L621 WeakPolarHBondContact O-CB 3.49Å; Y618-L621 PolarHBondContact O-N 2.75Å; Y618-L621 VanDerWaalsContact O-N 3.16Å; L619-L621 VanDerWaalsContact C-N 3.28Å; L619-L621 PolarHBondContact O-N 3.05Å; L621-I626 HydrophobicContact CD1-CD1 3.68Å
622	R	76.5	Confident	84.4	Confident	224 Å²	224	95.3 Å²	95.3	85%	0.845	42%	0.423	S	S	*	.	H	α-helix	trans	-75.6	-33.8	175	-173.8	176.6	178.9	-177	-0.7	112.4	Y618 L619 W620	Y618-R622 PolarHBondContact O-N 3.47Å; L619-R622 WeakPolarHBondContact O-CB 3.18Å; L619-R622 PolarHBondContact O-N 3.16Å; W620-R622 VanDerWaalsContact C-N 3.33Å
623	Q	74	Confident	84.9	Confident	113 Å²	113	87.7 Å²	87.7	53%	0.528	39%	0.39	S	S	.	.	H	α-helix	trans	-87.4	-30.1	-174	-72.5	176.9	-19.1	0	0	113.2	L619 W620 V682	L619-Q623 PolarHBondContact O-N 3Å; W620-Q623 PolarHBondContact O-N 3.16Å; Q623-V682 HydrophobicContact CB-CG1 3.98Å; Q623-V682 HydrophobicContact CB-CG2 4.36Å
624	V	82.3	Confident	85.2	Confident	7 Å²	7	80.3 Å²	80.3	4%	0.042	37%	0.367	C	S	.	.	S	Bend	trans	-116.4	137.1	-176.7	-176	0	0	0	0	111.1	W620 I626 R628 V629 E679 V682 L683	W620-V624 PolarHBondContact O-N 3.06Å; W620-V624 VanDerWaalsContact O-N 3.07Å; V624-I626 PolarHBondContact O-N 3.29Å; V624-R628 HydrophobicContact CG1-CB 3.99Å; V624-V629 HydrophobicContact CB-CG2 4.07Å; V624-V629 HydrophobicContact CG1-CG2 3.91Å; V624-E679 HydrophobicContact CG1-CB 4.5Å; V624-E679 HydrophobicContact CG1-CG 4.19Å; V624-E679 HydrophobicContact CG2-CB 4.31Å; V624-E679 HydrophobicContact CG2-CG 4.24Å; V624-V682 HydrophobicContact CG2-CB 4.09Å; V624-V682 HydrophobicContact CG2-CG1 3.87Å; V624-L683 HydrophobicContact CG1-CD1 4.27Å; V624-L683 HydrophobicContact CG2-CG 4.32Å
625	Q	85.5	Confident	85.5	Confident	137 Å²	137	73.1 Å²	73.1	64%	0.64	34%	0.342	S	S	*	.			trans	-62.6	134.5	176.6	-64.5	-177.2	-9	0	0	111.6	R627 R628 V629	Q625-R627 VanDerWaalsContact C-N 3.26Å; Q625-R627 PolarHBondContact O-N 3.47Å; Q625-R627 VanDerWaalsContact O-N 3.08Å; Q625-R628 WeakPolarHBondContact O-CB 3.28Å; Q625-R628 PolarHBondContact O-N 3.34Å; Q625-V629 PolarHBondContact O-N 3.13Å
626	I	88.7	Confident	85.9	Confident	32 Å²	32	71.5 Å²	71.5	16%	0.164	33%	0.334	C	S	.	.	H	α-helix	trans	-52.1	-37.6	-175.3	-170.8	68.7	0	0	0	114.6	I607 L621 V624 R628 V629 H630	I607-I626 HydrophobicContact CG2-CD1 4.09Å; L621-I626 HydrophobicContact CD1-CD1 3.68Å; V624-I626 PolarHBondContact O-N 3.29Å; I626-R628 VanDerWaalsContact C-N 3.26Å; I626-R628 PolarHBondContact O-N 3.06Å; I626-V629 WeakPolarHBondContact O-CB 3.24Å; I626-V629 PolarHBondContact O-N 3.21Å; I626-H630 VanDerWaalsContact CG1-NE2 3.29Å; I626-H630 WeakPolarHBondContact CG1-NE2 2.98Å; I626-H630 PolarHBondContact O-CD2 3.06Å; I626-H630 PolarHBondContact O-N 3.49Å
627	R	90.8	Very high	86.5	Confident	216 Å²	216	71.3 Å²	71.3	82%	0.815	33%	0.332	S	S	*	.	H	α-helix	trans	-60.7	-37.3	178.4	-72.2	-173.6	174.6	174.9	-1.1	111.9	Q625 L631	Q625-R627 VanDerWaalsContact C-N 3.26Å; Q625-R627 PolarHBondContact O-N 3.47Å; Q625-R627 VanDerWaalsContact O-N 3.08Å; R627-L631 PolarHBondContact O-N 3.39Å; R627-L631 VanDerWaalsContact O-N 3.09Å
628	R	91.5	Very high	87.3	Confident	93 Å²	93	67.2 Å²	67.2	35%	0.351	31%	0.314	S	S	.	.	H	α-helix	trans	-75	-37.3	178	-67.3	-165.6	178.2	-158	2.7	111.6	V624 Q625 I626 H630 L631 F632 F675 E679	V624-R628 HydrophobicContact CG1-CB 3.99Å; Q625-R628 WeakPolarHBondContact O-CB 3.28Å; Q625-R628 PolarHBondContact O-N 3.34Å; I626-R628 VanDerWaalsContact C-N 3.26Å; I626-R628 PolarHBondContact O-N 3.06Å; R628-H630 VanDerWaalsContact C-N 3.34Å; R628-H630 PolarHBondContact O-N 2.88Å; R628-L631 PolarHBondContact O-N 2.92Å; R628-F632 PolarHBondContact O-N 2.87Å; R628-F675 HydrophobicContact CB-CE1 4.01Å; R628-F675 WeakPolarHBondContact O-CE1 3.22Å; R628-E679 VanDerWaalsContact CD-CD 3.43Å; R628-E679 WeakPolarHBondContact CD-OE1 3.45Å; R628-E679 WeakPolarHBondContact CD-OE2 3.35Å; R628-E679 IonicContact CZ-OE1 3.15Å; R628-E679 VanDerWaalsContact CZ-OE1 3.25Å; R628-E679 IonicContact CZ-OE2 3.37Å; R628-E679 IonicContact NE-OE1 2.96Å; R628-E679 PolarHBondContact NE-OE1 3.22Å; R628-E679 IonicContact NE-OE2 3.26Å; R628-E679 IonicContact NH1-OE1 3.82Å; R628-E679 PolarHBondContact NH1-OE1 2.71Å; R628-E679 IonicContact NH1-OE2 3.86Å; R628-E679 PolarHBondContact NH1-OE2 2.85Å
629	V	91.2	Very high	87.8	Confident	1 Å²	1	63.7 Å²	63.7	1%	0.006	30%	0.301	C	S	.	.	H	α-helix	trans	-59.3	-45	171.7	-179.8	0	0	0	0	111.1	W620 V624 Q625 I626 F632 T633 L683	W620-V629 HydrophobicContact CE3-CG1 4.35Å; W620-V629 HydrophobicContact CZ3-CG1 3.74Å; V624-V629 HydrophobicContact CB-CG2 4.07Å; V624-V629 HydrophobicContact CG1-CG2 3.91Å; Q625-V629 PolarHBondContact O-N 3.13Å; I626-V629 WeakPolarHBondContact O-CB 3.24Å; I626-V629 PolarHBondContact O-N 3.21Å; V629-F632 PolarHBondContact O-N 2.88Å; V629-T633 WeakPolarHBondContact O-CB 3.26Å; V629-T633 PolarHBondContact O-N 3.45Å; V629-T633 PolarHBondContact O-OG1 2.64Å; V629-L683 HydrophobicContact CG2-CD2 4.33Å
630	H	92.9	Very high	88.8	Confident	56 Å²	56	59 Å²	59	26%	0.259	28%	0.275	S	S	.	.	H	α-helix	trans	-64.9	-39.2	176.7	-67.1	-37.7	0	0	0	112.3	I608 I626 R628 T633 A634	I608-H630 WeakPolarHBondContact CG1-ND1 3.41Å; I626-H630 VanDerWaalsContact CG1-NE2 3.29Å; I626-H630 WeakPolarHBondContact CG1-NE2 2.98Å; I626-H630 PolarHBondContact O-CD2 3.06Å; I626-H630 PolarHBondContact O-N 3.49Å; R628-H630 VanDerWaalsContact C-N 3.34Å; R628-H630 PolarHBondContact O-N 2.88Å; H630-T633 PolarHBondContact O-N 2.9Å; H630-A634 WeakPolarHBondContact O-CB 3.27Å; H630-A634 PolarHBondContact O-N 3.46Å
631	L	93	Very high	89.5	Confident	81 Å²	81	62.9 Å²	62.9	42%	0.424	30%	0.296	S	S	.	.	H	α-helix	trans	-61.6	-45	174.5	-178.3	63.1	0	0	0	111.7	R627 R628 T633 A634 V635 I674 F675	R627-L631 PolarHBondContact O-N 3.39Å; R627-L631 VanDerWaalsContact O-N 3.09Å; R628-L631 PolarHBondContact O-N 2.92Å; L631-T633 VanDerWaalsContact C-N 3.33Å; L631-T633 PolarHBondContact O-N 3.4Å; L631-A634 PolarHBondContact O-N 2.85Å; L631-V635 WeakPolarHBondContact O-CG2 3.04Å; L631-V635 PolarHBondContact O-N 3.17Å; L631-V635 VanDerWaalsContact O-N 3.08Å; L631-I674 HydrophobicContact CD2-CG2 3.69Å; L631-F675 HydrophobicContact CB-CZ 4.19Å; L631-F675 HydrophobicContact CD2-CZ 4.09Å; L631-F675 HydrophobicContact CG-CZ 4.06Å
632	F	93.3	Very high	89.9	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-59.9	-46.4	176.5	178	-91.7	0	0	0	111.1	F296 R628 V629 A634 V635 Q636 L671 F675 L680 L683 D684	F296-F632 HydrophobicContact CB-CZ 4.31Å; F296-F632 HydrophobicContact CD2-CE1 4.23Å; F296-F632 HydrophobicContact CD2-CE2 4Å; F296-F632 AromaticContact CD2-CZ 3.68Å; F296-F632 HydrophobicContact CD2-CZ 3.68Å; F296-F632 HydrophobicContact CG-CZ 4.49Å; R628-F632 PolarHBondContact O-N 2.87Å; V629-F632 PolarHBondContact O-N 2.88Å; F632-A634 VanDerWaalsContact C-N 3.34Å; F632-A634 PolarHBondContact O-N 3.15Å; F632-V635 PolarHBondContact O-N 2.85Å; F632-Q636 PolarHBondContact O-N 3.08Å; F632-L671 HydrophobicContact CD2-CD1 4.19Å; F632-L671 HydrophobicContact CD2-CD2 4.17Å; F632-L671 HydrophobicContact CE2-CD1 3.78Å; F632-F675 HydrophobicContact CB-CE1 4.12Å; F632-F675 HydrophobicContact CB-CE2 4.41Å; F632-F675 HydrophobicContact CB-CZ 3.72Å; F632-F675 HydrophobicContact CD2-CE2 4.48Å; F632-F675 HydrophobicContact CD2-CZ 4.48Å; F632-L680 HydrophobicContact CE2-CD1 4.39Å; F632-L683 HydrophobicContact CB-CD1 4.08Å; F632-L683 HydrophobicContact CD2-CB 4.49Å; F632-L683 HydrophobicContact CD2-CD1 4.21Å; F632-L683 HydrophobicContact CE2-CB 4.3Å; F632-L683 HydrophobicContact CG-CD1 4.05Å; F632-L683 HydrophobicContact CZ-CB 4.3Å; F632-D684 HydrophobicContact CE2-CB 4.42Å; F632-D684 HydrophobicContact CZ-CB 4.3Å
633	T	93.6	Very high	90.4	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-64.9	-38.4	179	-49	0	0	0	0	111.2	F601 R604 I605 I608 V629 H630 L631 Q636 V637	F601-T633 HydrophobicContact CE2-CG2 4.48Å; R604-T633 HydrophobicContact CB-CG2 3.85Å; I605-T633 HydrophobicContact CG1-CG2 4.12Å; I608-T633 HydrophobicContact CD1-CG2 3.84Å; V629-T633 WeakPolarHBondContact O-CB 3.26Å; V629-T633 PolarHBondContact O-N 3.45Å; V629-T633 PolarHBondContact O-OG1 2.64Å; H630-T633 PolarHBondContact O-N 2.9Å; L631-T633 VanDerWaalsContact C-N 3.33Å; L631-T633 PolarHBondContact O-N 3.4Å; T633-Q636 PolarHBondContact O-N 3.47Å; T633-V637 HydrophobicContact CG2-CG2 4.34Å; T633-V637 WeakPolarHBondContact O-CB 3.33Å; T633-V637 VanDerWaalsContact O-CG2 3.27Å; T633-V637 WeakPolarHBondContact O-CG2 3.19Å; T633-V637 PolarHBondContact O-N 3.32Å
634	A	94.1	Very high	91.1	Very high	47 Å²	47	50.5 Å²	50.5	39%	0.388	26%	0.255	S	S	.	.	H	α-helix	trans	-62.1	-45.9	176.4	0	0	0	0	0	111.7	H630 L631 F632 Q636 V637 T638	H630-A634 WeakPolarHBondContact O-CB 3.27Å; H630-A634 PolarHBondContact O-N 3.46Å; L631-A634 PolarHBondContact O-N 2.85Å; F632-A634 VanDerWaalsContact C-N 3.34Å; F632-A634 PolarHBondContact O-N 3.15Å; A634-Q636 VanDerWaalsContact C-N 3.3Å; A634-Q636 PolarHBondContact O-N 2.98Å; A634-V637 PolarHBondContact O-N 3.42Å; A634-T638 PolarHBondContact O-N 3.24Å; A634-T638 PolarHBondContact O-OG1 3Å; A634-T638 VanDerWaalsContact O-OG1 3.06Å
635	V	93	Very high	91.3	Very high	29 Å²	29	53.6 Å²	53.6	18%	0.176	27%	0.273	C	S	.	.	H	α-helix	trans	-60.7	-41.7	174.8	175.2	0	0	0	0	111	F296 L631 F632 T638 C639 V666 L671	F296-V635 HydrophobicContact CE2-CG1 4.4Å; F296-V635 HydrophobicContact CZ-CG1 4.25Å; L631-V635 WeakPolarHBondContact O-CG2 3.04Å; L631-V635 PolarHBondContact O-N 3.17Å; L631-V635 VanDerWaalsContact O-N 3.08Å; F632-V635 PolarHBondContact O-N 2.85Å; V635-T638 PolarHBondContact O-N 3.07Å; V635-C639 WeakPolarHBondContact O-CB 3.39Å; V635-C639 PolarHBondContact O-N 3.36Å; V635-V666 HydrophobicContact CG1-CG1 4.43Å; V635-L671 HydrophobicContact CB-CD2 4.43Å; V635-L671 HydrophobicContact CG1-CD2 4.1Å
636	Q	93.2	Very high	91.3	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-65.9	-41.4	177.4	-161.3	174.6	9.9	0	0	112.5	F296 F601 F632 T633 A634 C639 F640	F296-Q636 HydrophobicContact CD2-CB 3.98Å; F296-Q636 HydrophobicContact CD2-CG 3.78Å; F296-Q636 VanDerWaalsContact CE2-CA 3.44Å; F296-Q636 HydrophobicContact CE2-CB 3.38Å; F296-Q636 HydrophobicContact CE2-CG 3.54Å; F296-Q636 HydrophobicContact CG-CG 4.48Å; F296-Q636 HydrophobicContact CZ-CB 4.02Å; F296-Q636 HydrophobicContact CZ-CG 4.03Å; F296-Q636 PolarHBondContact O-NE2 3.05Å; F601-Q636 HydrophobicContact CD2-CB 4.15Å; F601-Q636 HydrophobicContact CD2-CG 3.71Å; F601-Q636 HydrophobicContact CE2-CB 3.78Å; F601-Q636 HydrophobicContact CE2-CG 3.61Å; F601-Q636 HydrophobicContact CG-CG 4.39Å; F601-Q636 HydrophobicContact CZ-CG 4.23Å; F632-Q636 PolarHBondContact O-N 3.08Å; T633-Q636 PolarHBondContact O-N 3.47Å; A634-Q636 VanDerWaalsContact C-N 3.3Å; A634-Q636 PolarHBondContact O-N 2.98Å; Q636-C639 PolarHBondContact O-N 3.3Å; Q636-F640 VanDerWaalsContact O-CB 3.27Å; Q636-F640 WeakPolarHBondContact O-CB 3.34Å; Q636-F640 PolarHBondContact O-N 3.28Å
637	V	94.9	Very high	90.8	Very high	41 Å²	41	47.8 Å²	47.8	25%	0.248	25%	0.246	C	C	.	.	H	α-helix	trans	-62.1	-43.9	174.9	169.8	0	0	0	0	110.6	F601 I605 T633 A634 C639 F640 L641	F601-V637 HydrophobicContact CE2-CG2 3.74Å; F601-V637 HydrophobicContact CZ-CG2 3.87Å; I605-V637 HydrophobicContact CD1-CG2 4.08Å; I605-V637 HydrophobicContact CG1-CG2 3.95Å; T633-V637 HydrophobicContact CG2-CG2 4.34Å; T633-V637 WeakPolarHBondContact O-CB 3.33Å; T633-V637 VanDerWaalsContact O-CG2 3.27Å; T633-V637 WeakPolarHBondContact O-CG2 3.19Å; T633-V637 PolarHBondContact O-N 3.32Å; A634-V637 PolarHBondContact O-N 3.42Å; V637-C639 VanDerWaalsContact C-N 3.33Å; V637-C639 PolarHBondContact O-N 3.11Å; V637-F640 WeakPolarHBondContact O-CB 3.35Å; V637-F640 PolarHBondContact O-N 3.46Å; V637-L641 HydrophobicContact CG1-CD1 4.04Å; V637-L641 HydrophobicContact CG1-CG 4.32Å; V637-L641 VanDerWaalsContact O-CG 3.31Å; V637-L641 WeakPolarHBondContact O-CG 3.32Å; V637-L641 PolarHBondContact O-N 3.44Å
638	T	92.7	Very high	90.3	Very high	83 Å²	83	45 Å²	45	51%	0.509	24%	0.242	S	C	.	.	H	α-helix	trans	-60.3	-44.6	175.7	-55.2	0	0	0	0	111.5	A634 V635 L641 L642	A634-T638 PolarHBondContact O-N 3.24Å; A634-T638 PolarHBondContact O-OG1 3Å; A634-T638 VanDerWaalsContact O-OG1 3.06Å; V635-T638 PolarHBondContact O-N 3.07Å; T638-L641 PolarHBondContact O-N 3.05Å; T638-L642 WeakPolarHBondContact O-CG 3.15Å; T638-L642 PolarHBondContact O-N 3.05Å; T638-L642 VanDerWaalsContact O-N 3.11Å
639	C	91.3	Very high	89.8	Confident	6 Å²	6	47.2 Å²	47.2	4%	0.041	25%	0.252	C	S	.	.	H	α-helix	trans	-63.9	-42.3	177.1	-175.8	0	0	0	0	112.1	F296 V635 Q636 V637 L642 L643 S663	F296-C639 HydrophobicContact CE1-CB 4.24Å; F296-C639 HydrophobicContact CZ-CB 4.01Å; V635-C639 WeakPolarHBondContact O-CB 3.39Å; V635-C639 PolarHBondContact O-N 3.36Å; Q636-C639 PolarHBondContact O-N 3.3Å; V637-C639 VanDerWaalsContact C-N 3.33Å; V637-C639 PolarHBondContact O-N 3.11Å; C639-L642 PolarHBondContact O-N 3.18Å; C639-L643 WeakPolarHBondContact O-CG 3.48Å; C639-L643 PolarHBondContact O-N 2.89Å; C639-S663 WeakPolarHBondContact SG-CB 3.29Å; C639-S663 PolarHBondContact SG-OG 3.29Å
640	F	92.9	Very high	88.9	Confident	23 Å²	23	54.8 Å²	54.8	10%	0.101	29%	0.285	C	S	.	.	H	α-helix	trans	-60.5	-45.8	174.5	168.4	-95	0	0	0	112.4	T303 L304 L307 F601 Q636 V637 L642 L643 A644	T303-F640 HydrophobicContact CG2-CD2 4.42Å; T303-F640 HydrophobicContact CG2-CE2 3.81Å; T303-F640 HydrophobicContact CG2-CZ 4.24Å; L304-F640 HydrophobicContact CB-CD2 4.3Å; L304-F640 HydrophobicContact CB-CE2 3.78Å; L304-F640 HydrophobicContact CD1-CE2 4.08Å; L304-F640 HydrophobicContact CD1-CZ 4.38Å; L307-F640 HydrophobicContact CD2-CZ 3.94Å; F601-F640 HydrophobicContact CE1-CB 4.1Å; F601-F640 AromaticContact CE1-CD2 3.93Å; F601-F640 HydrophobicContact CE1-CD2 3.93Å; F601-F640 AromaticContact CE1-CG 3.92Å; F601-F640 HydrophobicContact CE1-CG 3.92Å; F601-F640 HydrophobicContact CZ-CB 3.9Å; F601-F640 HydrophobicContact CZ-CG 4.08Å; Q636-F640 VanDerWaalsContact O-CB 3.27Å; Q636-F640 WeakPolarHBondContact O-CB 3.34Å; Q636-F640 PolarHBondContact O-N 3.28Å; V637-F640 WeakPolarHBondContact O-CB 3.35Å; V637-F640 PolarHBondContact O-N 3.46Å; F640-L642 VanDerWaalsContact C-N 3.32Å; F640-L642 PolarHBondContact O-N 3.16Å; F640-L643 WeakPolarHBondContact O-CB 3.48Å; F640-L643 PolarHBondContact O-N 3.41Å; F640-L643 VanDerWaalsContact O-N 3.15Å; F640-A644 PolarHBondContact O-N 2.77Å
641	L	92.7	Very high	87.8	Confident	99 Å²	99	56.7 Å²	56.7	52%	0.518	31%	0.31	S	S	.	.	H	α-helix	trans	-62.5	-39.4	177.9	-71.9	173	0	0	0	111.6	V637 T638 L643 A644 V645	V637-L641 HydrophobicContact CG1-CD1 4.04Å; V637-L641 HydrophobicContact CG1-CG 4.32Å; V637-L641 VanDerWaalsContact O-CG 3.31Å; V637-L641 WeakPolarHBondContact O-CG 3.32Å; V637-L641 PolarHBondContact O-N 3.44Å; T638-L641 PolarHBondContact O-N 3.05Å; L641-L643 VanDerWaalsContact C-N 3.33Å; L641-L643 PolarHBondContact O-N 2.96Å; L641-A644 PolarHBondContact O-N 3.25Å; L641-V645 WeakPolarHBondContact O-CB 3.37Å; L641-V645 VanDerWaalsContact O-CG2 3.23Å; L641-V645 WeakPolarHBondContact O-CG2 3.06Å; L641-V645 PolarHBondContact O-N 3.48Å
642	L	89.4	Confident	87	Confident	81 Å²	81	57 Å²	57	42%	0.424	31%	0.311	S	S	.	.	H	α-helix	trans	-62.9	-39.7	174.1	-70.5	171.7	0	0	0	112.1	T638 C639 F640 V646 M659	T638-L642 WeakPolarHBondContact O-CG 3.15Å; T638-L642 PolarHBondContact O-N 3.05Å; T638-L642 VanDerWaalsContact O-N 3.11Å; C639-L642 PolarHBondContact O-N 3.18Å; F640-L642 VanDerWaalsContact C-N 3.32Å; F640-L642 PolarHBondContact O-N 3.16Å; L642-V646 WeakPolarHBondContact O-CG2 3.36Å; L642-V646 PolarHBondContact O-N 2.87Å; L642-V646 VanDerWaalsContact O-N 3.13Å; L642-M659 HydrophobicContact CB-CE 4.12Å
643	L	87.7	Confident	85.9	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-65.2	-45.8	175.2	-71.4	168.2	0	0	0	111.6	A300 L304 C639 F640 L641 V645 V646 E647 F656 M659 L660	A300-L643 HydrophobicContact CB-CD1 4.41Å; L304-L643 HydrophobicContact CD2-CB 3.82Å; C639-L643 WeakPolarHBondContact O-CG 3.48Å; C639-L643 PolarHBondContact O-N 2.89Å; F640-L643 WeakPolarHBondContact O-CB 3.48Å; F640-L643 PolarHBondContact O-N 3.41Å; F640-L643 VanDerWaalsContact O-N 3.15Å; L641-L643 VanDerWaalsContact C-N 3.33Å; L641-L643 PolarHBondContact O-N 2.96Å; L643-V645 VanDerWaalsContact C-N 3.35Å; L643-V645 PolarHBondContact O-N 3.45Å; L643-V646 PolarHBondContact O-N 3.41Å; L643-E647 PolarHBondContact O-N 3.49Å; L643-F656 HydrophobicContact CD2-CE2 4.48Å; L643-M659 HydrophobicContact CD2-CB 3.7Å; L643-L660 HydrophobicContact CD1-CD2 4.28Å; L643-L660 HydrophobicContact CD2-CD2 3.98Å; L643-L660 HydrophobicContact CD2-CG 4.36Å
644	A	88.8	Confident	84.9	Confident	28 Å²	28	60.4 Å²	60.4	23%	0.231	33%	0.328	C	S	.	.	H	α-helix	trans	-60.8	-43.9	178.9	0	0	0	0	0	112.1	L304 F640 L641 E647 E648	L304-A644 HydrophobicContact CD1-CB 3.73Å; F640-A644 PolarHBondContact O-N 2.77Å; L641-A644 PolarHBondContact O-N 3.25Å; A644-E647 PolarHBondContact O-N 3.08Å; A644-E648 PolarHBondContact O-N 3.01Å; A644-E648 VanDerWaalsContact O-N 3.08Å
645	V	87	Confident	84	Confident	71 Å²	71	59.7 Å²	59.7	43%	0.43	32%	0.322	S	S	.	.	H	α-helix	trans	-59.4	-49.8	175.9	165.1	0	0	0	0	110.7	L641 L643 E647 E648 Y649	L641-V645 WeakPolarHBondContact O-CB 3.37Å; L641-V645 VanDerWaalsContact O-CG2 3.23Å; L641-V645 WeakPolarHBondContact O-CG2 3.06Å; L641-V645 PolarHBondContact O-N 3.48Å; L643-V645 VanDerWaalsContact C-N 3.35Å; L643-V645 PolarHBondContact O-N 3.45Å; V645-E647 VanDerWaalsContact C-N 3.25Å; V645-E647 PolarHBondContact O-N 3.4Å; V645-E648 PolarHBondContact O-N 2.95Å; V645-Y649 HydrophobicContact CG1-CD2 3.91Å; V645-Y649 HydrophobicContact CG1-CE2 3.81Å; V645-Y649 WeakPolarHBondContact O-CD2 3.3Å; V645-Y649 PolarHBondContact O-N 3.38Å
646	V	83.9	Confident	83.2	Confident	17 Å²	17	58.4 Å²	58.4	10%	0.103	31%	0.314	C	S	.	.	H	α-helix	trans	-63.7	-33.6	-178.8	167.9	0	0	0	0	112.2	L642 L643 I652 M659	L642-V646 WeakPolarHBondContact O-CG2 3.36Å; L642-V646 PolarHBondContact O-N 2.87Å; L642-V646 VanDerWaalsContact O-N 3.13Å; L643-V646 PolarHBondContact O-N 3.41Å; V646-I652 HydrophobicContact CG1-CG2 3.99Å; V646-I652 HydrophobicContact CG2-CG2 4.46Å; V646-M659 HydrophobicContact CB-CG 4.1Å; V646-M659 HydrophobicContact CG1-CG 3.8Å; V646-M659 HydrophobicContact CG2-CE 4.15Å; V646-M659 HydrophobicContact CG2-CG 3.88Å; V646-M659 HydrophobicContact CG2-SD 4.14Å
647	E	79.8	Confident	82.3	Confident	31 Å²	31	58.8 Å²	58.8	15%	0.145	32%	0.317	C	S	.	.	H	α-helix	trans	-69.6	-39.8	177.4	-173.1	168.7	-179.1	0	0	112.9	L304 I308 L643 A644 V645 F656	L304-E647 WeakPolarHBondContact CD2-OE2 3.35Å; L304-E647 VanDerWaalsContact CG-OE2 3.28Å; L304-E647 WeakPolarHBondContact CG-OE2 3.39Å; I308-E647 HydrophobicContact CD1-CG 3.97Å; I308-E647 WeakPolarHBondContact CD1-OE1 3.02Å; I308-E647 WeakPolarHBondContact CD1-OE2 3.05Å; L643-E647 PolarHBondContact O-N 3.49Å; A644-E647 PolarHBondContact O-N 3.08Å; V645-E647 VanDerWaalsContact C-N 3.25Å; V645-E647 PolarHBondContact O-N 3.4Å; E647-F656 HydrophobicContact CB-CD2 4.44Å
648	E	79.7	Confident	81.6	Confident	156 Å²	156	61.5 Å²	61.5	73%	0.729	33%	0.33	S	S	*	.	H	α-helix	trans	-65.8	-38.3	-179.6	-170	178.5	177	0	0	112.3	A644 V645 K650	A644-E648 PolarHBondContact O-N 3.01Å; A644-E648 VanDerWaalsContact O-N 3.08Å; V645-E648 PolarHBondContact O-N 2.95Å; E648-K650 PolarHBondContact O-N 3.11Å
649	Y	80.4	Confident	81.2	Confident	140 Å²	140	59.4 Å²	59.4	55%	0.549	31%	0.314	S	S	.	.			trans	-75.5	97.7	178.6	-75	-74	0	0	0	111.8	V645 A651 I652 S653	V645-Y649 HydrophobicContact CG1-CD2 3.91Å; V645-Y649 HydrophobicContact CG1-CE2 3.81Å; V645-Y649 WeakPolarHBondContact O-CD2 3.3Å; V645-Y649 PolarHBondContact O-N 3.38Å; Y649-A651 PolarHBondContact O-N 3.09Å; Y649-I652 CarbonylContact O-C 3.57Å; Y649-I652 PolarHBondContact O-N 3.44Å; Y649-S653 PolarHBondContact O-N 3.39Å
650	K	71.9	Confident	80.8	Confident	161 Å²	161	59.5 Å²	59.5	70%	0.7	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.2	-39.3	179.4	-67.4	-177.4	-179.8	178.7	0	114.8	E648	E648-K650 PolarHBondContact O-N 3.11Å
651	A	71.5	Confident	80.4	Confident	95 Å²	95	62.5 Å²	62.5	79%	0.785	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-31	-179.6	0	0	0	0	0	113.7	Y649	Y649-A651 PolarHBondContact O-N 3.09Å
652	I	75.1	Confident	80.1	Confident	89 Å²	89	62.7 Å²	62.7	46%	0.456	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-13.4	-177.5	-51.1	173.9	0	0	0	110.7	V646 Y649 M654 A655	V646-I652 HydrophobicContact CG1-CG2 3.99Å; V646-I652 HydrophobicContact CG2-CG2 4.46Å; Y649-I652 CarbonylContact O-C 3.57Å; Y649-I652 PolarHBondContact O-N 3.44Å; I652-M654 PolarHBondContact O-N 3.31Å; I652-A655 HydrophobicContact CG2-CB 4.23Å; I652-A655 WeakPolarHBondContact O-CA 3.35Å; I652-A655 VanDerWaalsContact O-CB 3.28Å; I652-A655 WeakPolarHBondContact O-CB 3.29Å; I652-A655 PolarHBondContact O-N 2.95Å
653	S	69.7	Low	79.9	Confident	4 Å²	4	59 Å²	59	3%	0.028	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-52.3	-30.8	-178.9	-170.9	0	0	0	0	114	Y649 A655 F656	Y649-S653 PolarHBondContact O-N 3.39Å; S653-A655 PolarHBondContact O-N 3Å; S653-F656 WeakPolarHBondContact O-CB 3.4Å; S653-F656 PolarHBondContact O-N 3.32Å
654	M	72.4	Confident	79.8	Confident	67 Å²	67	60.1 Å²	60.1	33%	0.33	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-62.6	-24.3	173.2	-67.3	-162.4	-154.1	0	0	114.1	F248 I251 I652 F656 P657	F248-M654 HydrophobicContact CD2-SD 4.37Å; I251-M654 HydrophobicContact CB-CE 3.72Å; I251-M654 HydrophobicContact CD1-CE 3.34Å; I251-M654 HydrophobicContact CD1-CG 4.48Å; I251-M654 HydrophobicContact CG1-CE 4.09Å; I251-M654 HydrophobicContact CG2-CE 3.37Å; I652-M654 PolarHBondContact O-N 3.31Å; M654-F656 VanDerWaalsContact C-N 3.26Å; M654-P657 WeakPolarHBondContact O-CD 3.34Å
655	A	74.9	Confident	79.7	Confident	31 Å²	31	60.6 Å²	60.6	26%	0.256	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-83.2	-0.4	176.5	0	0	0	0	0	112.9	I652 S653 P657 L658 M659	I652-A655 HydrophobicContact CG2-CB 4.23Å; I652-A655 WeakPolarHBondContact O-CA 3.35Å; I652-A655 VanDerWaalsContact O-CB 3.28Å; I652-A655 WeakPolarHBondContact O-CB 3.29Å; I652-A655 PolarHBondContact O-N 2.95Å; S653-A655 PolarHBondContact O-N 3Å; A655-P657 VanDerWaalsContact C-CD 3.45Å; A655-P657 VanDerWaalsContact C-N 3.34Å; A655-L658 HydrophobicContact CB-CD1 4.49Å; A655-L658 WeakPolarHBondContact O-CA 3.32Å; A655-L658 WeakPolarHBondContact O-CB 3.37Å; A655-L658 PolarHBondContact O-N 3.2Å; A655-M659 PolarHBondContact O-N 2.97Å
656	F	76.6	Confident	79.8	Confident	3 Å²	3	58 Å²	58	1%	0.013	31%	0.307	C	S	.	.	H	α-helix	trans	-51.7	-42.3	178.8	176.7	-103.7	0	0	0	114.1	F301 L304 L643 E647 S653 M654 L658 M659 L660	F301-F656 HydrophobicContact CD2-CE1 4.33Å; F301-F656 AromaticContact CD2-CZ 3.8Å; F301-F656 HydrophobicContact CD2-CZ 3.8Å; F301-F656 AromaticContact CE2-CE1 3.67Å; F301-F656 HydrophobicContact CE2-CE1 3.67Å; F301-F656 AromaticContact CE2-CZ 3.55Å; F301-F656 HydrophobicContact CE2-CZ 3.55Å; L304-F656 HydrophobicContact CD2-CE2 3.93Å; L304-F656 HydrophobicContact CD2-CZ 4.42Å; L643-F656 HydrophobicContact CD2-CE2 4.48Å; E647-F656 HydrophobicContact CB-CD2 4.44Å; S653-F656 WeakPolarHBondContact O-CB 3.4Å; S653-F656 PolarHBondContact O-N 3.32Å; M654-F656 VanDerWaalsContact C-N 3.26Å; F656-L658 VanDerWaalsContact C-N 3.29Å; F656-L658 PolarHBondContact O-N 3.44Å; F656-M659 WeakPolarHBondContact O-CB 3.46Å; F656-M659 PolarHBondContact O-N 3.4Å; F656-M659 VanDerWaalsContact O-N 3.15Å; F656-L660 HydrophobicContact CD1-CD1 4.25Å; F656-L660 HydrophobicContact CE1-CD1 3.79Å; F656-L660 HydrophobicContact CZ-CD1 4.1Å; F656-L660 HydrophobicContact CZ-CG 4.49Å; F656-L660 PolarHBondContact O-N 2.99Å; F656-L660 VanDerWaalsContact O-N 3.17Å
657	P	75.1	Confident	79.9	Confident	8 Å²	8	57.2 Å²	57.2	5%	0.052	30%	0.302	C	S	.	.	H	α-helix	trans	-61.2	-35.3	174.3	-23.4	35.5	0	0	0	113.4	L464 L465 M468 M654 A655 M659 L660 V661	L464-P657 HydrophobicContact CB-CB 4.39Å; L465-P657 HydrophobicContact CB-CG 3.83Å; L465-P657 HydrophobicContact CG-CG 4.25Å; M468-P657 HydrophobicContact CG-CB 4.11Å; M654-P657 WeakPolarHBondContact O-CD 3.34Å; A655-P657 VanDerWaalsContact C-CD 3.45Å; A655-P657 VanDerWaalsContact C-N 3.34Å; P657-M659 VanDerWaalsContact C-N 3.35Å; P657-L660 PolarHBondContact O-N 3.41Å; P657-V661 PolarHBondContact O-N 2.91Å
658	L	80.9	Confident	80.2	Confident	98 Å²	98	59.3 Å²	59.3	51%	0.513	31%	0.311	S	S	.	.	H	α-helix	trans	-69.5	-35.1	177	-63.1	173	0	0	0	111.5	A655 F656 L660 V661 F662	A655-L658 HydrophobicContact CB-CD1 4.49Å; A655-L658 WeakPolarHBondContact O-CA 3.32Å; A655-L658 WeakPolarHBondContact O-CB 3.37Å; A655-L658 PolarHBondContact O-N 3.2Å; F656-L658 VanDerWaalsContact C-N 3.29Å; F656-L658 PolarHBondContact O-N 3.44Å; L658-L660 VanDerWaalsContact C-N 3.32Å; L658-L660 PolarHBondContact O-N 3.4Å; L658-V661 WeakPolarHBondContact O-CB 3.13Å; L658-V661 PolarHBondContact O-N 2.89Å; L658-F662 PolarHBondContact O-N 3.12Å
659	M	84	Confident	80.5	Confident	39 Å²	39	56.6 Å²	56.6	19%	0.192	30%	0.3	C	S	.	.	H	α-helix	trans	-65.3	-35.6	175	-72.9	-60.4	-62.3	0	0	112.5	L642 L643 V646 A655 F656 P657 F662 S663	L642-M659 HydrophobicContact CB-CE 4.12Å; L643-M659 HydrophobicContact CD2-CB 3.7Å; V646-M659 HydrophobicContact CB-CG 4.1Å; V646-M659 HydrophobicContact CG1-CG 3.8Å; V646-M659 HydrophobicContact CG2-CE 4.15Å; V646-M659 HydrophobicContact CG2-CG 3.88Å; V646-M659 HydrophobicContact CG2-SD 4.14Å; A655-M659 PolarHBondContact O-N 2.97Å; F656-M659 WeakPolarHBondContact O-CB 3.46Å; F656-M659 PolarHBondContact O-N 3.4Å; F656-M659 VanDerWaalsContact O-N 3.15Å; P657-M659 VanDerWaalsContact C-N 3.35Å; M659-F662 HydrophobicContact CE-CD1 4.22Å; M659-F662 WeakPolarHBondContact O-CB 3.32Å; M659-F662 PolarHBondContact O-N 3.32Å; M659-S663 PolarHBondContact O-N 3.32Å; M659-S663 PolarHBondContact O-OG 3.27Å
660	L	83	Confident	80.8	Confident	7 Å²	7	53.4 Å²	53.4	4%	0.037	29%	0.292	C	S	.	.	H	α-helix	trans	-64.4	-41.6	173.4	-68.8	168.2	0	0	0	111.6	F301 M468 I472 L643 F656 P657 L658 F662 S663 V664	F301-L660 HydrophobicContact CB-CD2 4.43Å; F301-L660 HydrophobicContact CD2-CD1 4.08Å; F301-L660 HydrophobicContact CD2-CD2 3.86Å; F301-L660 HydrophobicContact CE2-CD1 3.98Å; M468-L660 HydrophobicContact CB-CD1 4.28Å; I472-L660 HydrophobicContact CD1-CD1 3.66Å; I472-L660 HydrophobicContact CD1-CD2 4.45Å; I472-L660 HydrophobicContact CD1-CG 4.5Å; L643-L660 HydrophobicContact CD1-CD2 4.28Å; L643-L660 HydrophobicContact CD2-CD2 3.98Å; L643-L660 HydrophobicContact CD2-CG 4.36Å; F656-L660 HydrophobicContact CD1-CD1 4.25Å; F656-L660 HydrophobicContact CE1-CD1 3.79Å; F656-L660 HydrophobicContact CZ-CD1 4.1Å; F656-L660 HydrophobicContact CZ-CG 4.49Å; F656-L660 PolarHBondContact O-N 2.99Å; F656-L660 VanDerWaalsContact O-N 3.17Å; P657-L660 PolarHBondContact O-N 3.41Å; L658-L660 VanDerWaalsContact C-N 3.32Å; L658-L660 PolarHBondContact O-N 3.4Å; L660-F662 VanDerWaalsContact C-N 3.29Å; L660-F662 PolarHBondContact O-N 3.43Å; L660-S663 WeakPolarHBondContact O-CB 3.49Å; L660-S663 PolarHBondContact O-N 3.03Å; L660-V664 WeakPolarHBondContact O-CG2 3.23Å; L660-V664 PolarHBondContact O-N 2.95Å
661	V	82.8	Confident	81.5	Confident	86 Å²	86	45.7 Å²	45.7	52%	0.521	26%	0.259	S	S	.	.	H	α-helix	trans	-61.4	-39.5	172.6	176.7	0	0	0	0	111.1	P657 L658 V664 A665	P657-V661 PolarHBondContact O-N 2.91Å; L658-V661 WeakPolarHBondContact O-CB 3.13Å; L658-V661 PolarHBondContact O-N 2.89Å; V661-V664 WeakPolarHBondContact O-CB 3.3Å; V661-V664 PolarHBondContact O-N 3.01Å; V661-A665 PolarHBondContact O-N 3.14Å
662	F	86.8	Confident	82.1	Confident	104 Å²	104	46 Å²	46	46%	0.456	24%	0.243	S	C	.	.	H	α-helix	trans	-61.4	-42.8	173.6	175.3	-100.5	0	0	0	111.9	L658 M659 L660 V664 A665 V666	L658-F662 PolarHBondContact O-N 3.12Å; M659-F662 HydrophobicContact CE-CD1 4.22Å; M659-F662 WeakPolarHBondContact O-CB 3.32Å; M659-F662 PolarHBondContact O-N 3.32Å; L660-F662 VanDerWaalsContact C-N 3.29Å; L660-F662 PolarHBondContact O-N 3.43Å; F662-V664 VanDerWaalsContact C-N 3.31Å; F662-V664 PolarHBondContact O-N 3.38Å; F662-A665 CarbonylContact O-C 3.6Å; F662-A665 WeakPolarHBondContact O-CA 3.17Å; F662-A665 WeakPolarHBondContact O-CB 3.4Å; F662-A665 PolarHBondContact O-N 2.9Å; F662-V666 HydrophobicContact CD1-CG2 4Å; F662-V666 HydrophobicContact CE1-CG2 3.52Å; F662-V666 HydrophobicContact CE2-CG2 4.14Å; F662-V666 HydrophobicContact CZ-CG2 3.6Å; F662-V666 WeakPolarHBondContact O-CG2 3.41Å; F662-V666 PolarHBondContact O-N 3.35Å
663	S	85.8	Confident	82.6	Confident	2 Å²	2	50 Å²	50	1%	0.014	26%	0.257	C	S	.	.	H	α-helix	trans	-61.1	-38.4	175.7	-57.2	0	0	0	0	112.5	C639 M659 L660 A665 V666 R667	C639-S663 WeakPolarHBondContact SG-CB 3.29Å; C639-S663 PolarHBondContact SG-OG 3.29Å; M659-S663 PolarHBondContact O-N 3.32Å; M659-S663 PolarHBondContact O-OG 3.27Å; L660-S663 WeakPolarHBondContact O-CB 3.49Å; L660-S663 PolarHBondContact O-N 3.03Å; S663-A665 VanDerWaalsContact C-N 3.33Å; S663-V666 PolarHBondContact O-N 2.91Å; S663-R667 WeakPolarHBondContact O-CB 3.22Å; S663-R667 PolarHBondContact O-N 3.08Å
664	V	85.9	Confident	83.5	Confident	26 Å²	26	53.6 Å²	53.6	16%	0.158	28%	0.276	C	S	.	.	H	α-helix	trans	-62.9	-41.6	172	173.5	0	0	0	0	110.8	F292 I293 T297 L660 V661 F662 R667 K668	F292-V664 HydrophobicContact CB-CG1 3.9Å; I293-V664 HydrophobicContact CG1-CG2 4.41Å; T297-V664 HydrophobicContact CG2-CG2 3.85Å; L660-V664 WeakPolarHBondContact O-CG2 3.23Å; L660-V664 PolarHBondContact O-N 2.95Å; V661-V664 WeakPolarHBondContact O-CB 3.3Å; V661-V664 PolarHBondContact O-N 3.01Å; F662-V664 VanDerWaalsContact C-N 3.31Å; F662-V664 PolarHBondContact O-N 3.38Å; V664-R667 PolarHBondContact O-N 3.23Å; V664-K668 PolarHBondContact O-N 2.81Å
665	A	86.5	Confident	84.1	Confident	37 Å²	37	51 Å²	51	31%	0.306	26%	0.263	S	S	.	.	H	α-helix	trans	-67.3	-41.8	177.6	0	0	0	0	0	112.7	V661 F662 S663 R667 K668 I669	V661-A665 PolarHBondContact O-N 3.14Å; F662-A665 CarbonylContact O-C 3.6Å; F662-A665 WeakPolarHBondContact O-CA 3.17Å; F662-A665 WeakPolarHBondContact O-CB 3.4Å; F662-A665 PolarHBondContact O-N 2.9Å; S663-A665 VanDerWaalsContact C-N 3.33Å; A665-R667 VanDerWaalsContact C-N 3.3Å; A665-R667 PolarHBondContact O-N 3.03Å; A665-K668 PolarHBondContact O-N 3.38Å; A665-I669 WeakPolarHBondContact O-CB 3.28Å; A665-I669 WeakPolarHBondContact O-CG1 3.16Å; A665-I669 PolarHBondContact O-N 3.44Å
666	V	88.2	Confident	84.5	Confident	18 Å²	18	52.9 Å²	52.9	11%	0.109	27%	0.271	C	S	.	.	H	α-helix	trans	-54.6	-50.6	172.9	162	0	0	0	0	109.6	V635 F662 S663 K668 I669 I670	V635-V666 HydrophobicContact CG1-CG1 4.43Å; F662-V666 HydrophobicContact CD1-CG2 4Å; F662-V666 HydrophobicContact CE1-CG2 3.52Å; F662-V666 HydrophobicContact CE2-CG2 4.14Å; F662-V666 HydrophobicContact CZ-CG2 3.6Å; F662-V666 WeakPolarHBondContact O-CG2 3.41Å; F662-V666 PolarHBondContact O-N 3.35Å; S663-V666 PolarHBondContact O-N 2.91Å; V666-K668 PolarHBondContact O-N 3.45Å; V666-I669 PolarHBondContact O-N 2.88Å; V666-I670 HydrophobicContact CB-CD1 4.42Å; V666-I670 HydrophobicContact CG1-CD1 4.03Å; V666-I670 HydrophobicContact CG2-CD1 4.33Å; V666-I670 WeakPolarHBondContact O-CA 3.5Å; V666-I670 VanDerWaalsContact O-CB 3.22Å; V666-I670 WeakPolarHBondContact O-CB 3.46Å; V666-I670 PolarHBondContact O-N 3.38Å
667	R	87.1	Confident	84.5	Confident	0 Å²	0	57 Å²	57	0%	0	30%	0.301	C	S	.	.	I	π-helix	trans	-61.5	-44.9	179.7	177.4	-106.4	177.4	168.6	-4.5	112	F292 T294 F296 S663 V664 A665 L671 D684 D685 L687	F292-R667 PolarHBondContact O-NH1 3.45Å; T294-R667 VanDerWaalsContact CG2-NH2 3.3Å; T294-R667 PolarHBondContact OG1-NE 3.5Å; T294-R667 VanDerWaalsContact OG1-NE 3.07Å; T294-R667 PolarHBondContact OG1-NH1 3.21Å; T294-R667 PolarHBondContact OG1-NH2 3.21Å; F296-R667 HydrophobicContact CB-CG 4.13Å; F296-R667 HydrophobicContact CD1-CB 3.84Å; F296-R667 HydrophobicContact CD1-CG 4.15Å; F296-R667 HydrophobicContact CE1-CB 4.24Å; F296-R667 HydrophobicContact CG-CB 4.36Å; F296-R667 HydrophobicContact CG-CG 4.2Å; S663-R667 WeakPolarHBondContact O-CB 3.22Å; S663-R667 PolarHBondContact O-N 3.08Å; V664-R667 PolarHBondContact O-N 3.23Å; A665-R667 VanDerWaalsContact C-N 3.3Å; A665-R667 PolarHBondContact O-N 3.03Å; R667-L671 HydrophobicContact CB-CD1 4.09Å; R667-L671 HydrophobicContact CG-CD1 3.74Å; R667-L671 VanDerWaalsContact O-CB 3.29Å; R667-L671 WeakPolarHBondContact O-CB 3.15Å; R667-L671 PolarHBondContact O-N 2.74Å; R667-D684 IonicContact CZ-OD2 2.74Å; R667-D684 IonicContact NE-OD2 3.08Å; R667-D684 PolarHBondContact NE-OD2 3.29Å; R667-D684 IonicContact NH2-OD2 3.52Å; R667-D684 PolarHBondContact NH2-OD2 3.01Å; R667-D685 PolarHBondContact NH2-O 2.88Å; R667-L687 VanDerWaalsContact NE-CD1 3.33Å
668	K	85	Confident	84.4	Confident	75 Å²	75	65.2 Å²	65.2	33%	0.326	33%	0.33	S	S	.	.	I	π-helix	trans	-64.7	-44.4	177.4	-176	175.4	179.6	-179.7	0	113.6	V664 A665 V666 E672 L687	V664-K668 PolarHBondContact O-N 2.81Å; A665-K668 PolarHBondContact O-N 3.38Å; V666-K668 PolarHBondContact O-N 3.45Å; K668-E672 WeakPolarHBondContact O-CB 3.35Å; K668-E672 VanDerWaalsContact O-CD 3.24Å; K668-E672 WeakPolarHBondContact O-CG 2.92Å; K668-L687 HydrophobicContact CB-CD2 4.19Å; K668-L687 HydrophobicContact CD-CD2 4.27Å; K668-L687 HydrophobicContact CG-CD2 4.14Å
669	I	86.6	Confident	84.4	Confident	98 Å²	98	61.9 Å²	61.9	50%	0.503	31%	0.312	S	S	.	.	I	π-helix	trans	-87.8	-40.7	-170.6	-62.9	170.3	0	0	0	111.9	A665 V666 K673	A665-I669 WeakPolarHBondContact O-CB 3.28Å; A665-I669 WeakPolarHBondContact O-CG1 3.16Å; A665-I669 PolarHBondContact O-N 3.44Å; V666-I669 PolarHBondContact O-N 2.88Å; I669-K673 WeakPolarHBondContact O-CD 3.32Å; I669-K673 VanDerWaalsContact O-CG 3.29Å; I669-K673 WeakPolarHBondContact O-CG 3.25Å
670	I	87.1	Confident	84.3	Confident	73 Å²	73	60.8 Å²	60.8	37%	0.374	31%	0.307	S	S	.	.	I	π-helix	trans	-90.6	-48.7	-171.4	-63.5	167.9	0	0	0	110.3	V666 K673 I674	V666-I670 HydrophobicContact CB-CD1 4.42Å; V666-I670 HydrophobicContact CG1-CD1 4.03Å; V666-I670 HydrophobicContact CG2-CD1 4.33Å; V666-I670 WeakPolarHBondContact O-CA 3.5Å; V666-I670 VanDerWaalsContact O-CB 3.22Å; V666-I670 WeakPolarHBondContact O-CB 3.46Å; V666-I670 PolarHBondContact O-N 3.38Å; I670-K673 PolarHBondContact O-N 3.08Å; I670-I674 HydrophobicContact CG2-CD1 3.56Å; I670-I674 HydrophobicContact CG2-CG1 4.45Å; I670-I674 WeakPolarHBondContact O-CG1 3.48Å; I670-I674 PolarHBondContact O-N 3.38Å
671	L	85.6	Confident	84	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	33%	0.326	C	S	.	.	I	π-helix	trans	-70.6	-35.8	-175.3	-62.2	176.9	0	0	0	112.6	F296 F632 V635 R667 K673 I674 F675 L680	F296-L671 HydrophobicContact CD2-CD1 3.73Å; F296-L671 HydrophobicContact CE2-CD1 3.84Å; F296-L671 HydrophobicContact CG-CD1 4.15Å; F296-L671 HydrophobicContact CZ-CD1 4.39Å; F632-L671 HydrophobicContact CD2-CD1 4.19Å; F632-L671 HydrophobicContact CD2-CD2 4.17Å; F632-L671 HydrophobicContact CE2-CD1 3.78Å; V635-L671 HydrophobicContact CB-CD2 4.43Å; V635-L671 HydrophobicContact CG1-CD2 4.1Å; R667-L671 HydrophobicContact CB-CD1 4.09Å; R667-L671 HydrophobicContact CG-CD1 3.74Å; R667-L671 VanDerWaalsContact O-CB 3.29Å; R667-L671 WeakPolarHBondContact O-CB 3.15Å; R667-L671 PolarHBondContact O-N 2.74Å; L671-K673 PolarHBondContact O-N 3.45Å; L671-I674 PolarHBondContact O-N 2.99Å; L671-F675 HydrophobicContact CB-CD2 4.4Å; L671-F675 HydrophobicContact CD2-CD2 3.84Å; L671-F675 HydrophobicContact CD2-CE2 3.6Å; L671-F675 PolarHBondContact O-N 3.36Å; L671-L680 HydrophobicContact CB-CD1 4.12Å
672	E	85	Confident	83.7	Confident	100 Å²	100	62.8 Å²	62.8	47%	0.467	31%	0.313	S	S	.	.	H	α-helix	trans	-63.7	-24.6	173.8	-69.5	-174.4	173.5	0	0	113.3	K668 L680 L687	K668-E672 WeakPolarHBondContact O-CB 3.35Å; K668-E672 VanDerWaalsContact O-CD 3.24Å; K668-E672 WeakPolarHBondContact O-CG 2.92Å; E672-L680 HydrophobicContact CG-CD2 4.3Å; E672-L687 WeakPolarHBondContact OE1-CD1 3.32Å
673	K	85.5	Confident	83.4	Confident	173 Å²	173	58 Å²	58	75%	0.752	29%	0.293	S	S	*	.	H	α-helix	trans	-84.9	-35	178	-73.7	-178.5	-177.4	-179	0	113.2	I669 I670 L671	I669-K673 WeakPolarHBondContact O-CD 3.32Å; I669-K673 VanDerWaalsContact O-CG 3.29Å; I669-K673 WeakPolarHBondContact O-CG 3.25Å; I670-K673 PolarHBondContact O-N 3.08Å; L671-K673 PolarHBondContact O-N 3.45Å
674	I	87.5	Confident	83.2	Confident	81 Å²	81	58 Å²	58	42%	0.415	29%	0.293	S	S	.	.	H	α-helix	trans	-87.5	-37	-173.3	-63.7	173.4	0	0	0	111.4	L631 I670 L671	L631-I674 HydrophobicContact CD2-CG2 3.69Å; I670-I674 HydrophobicContact CG2-CD1 3.56Å; I670-I674 HydrophobicContact CG2-CG1 4.45Å; I670-I674 WeakPolarHBondContact O-CG1 3.48Å; I670-I674 PolarHBondContact O-N 3.38Å; L671-I674 PolarHBondContact O-N 2.99Å
675	F	86.9	Confident	82.6	Confident	12 Å²	12	59.6 Å²	59.6	5%	0.053	30%	0.3	C	S	.	.	S	Bend	trans	-105.4	148.3	-173	-67.3	-90.8	0	0	0	111.9	R628 L631 F632 L671 E679 L680	R628-F675 HydrophobicContact CB-CE1 4.01Å; R628-F675 WeakPolarHBondContact O-CE1 3.22Å; L631-F675 HydrophobicContact CB-CZ 4.19Å; L631-F675 HydrophobicContact CD2-CZ 4.09Å; L631-F675 HydrophobicContact CG-CZ 4.06Å; F632-F675 HydrophobicContact CB-CE1 4.12Å; F632-F675 HydrophobicContact CB-CE2 4.41Å; F632-F675 HydrophobicContact CB-CZ 3.72Å; F632-F675 HydrophobicContact CD2-CE2 4.48Å; F632-F675 HydrophobicContact CD2-CZ 4.48Å; L671-F675 HydrophobicContact CB-CD2 4.4Å; L671-F675 HydrophobicContact CD2-CD2 3.84Å; L671-F675 HydrophobicContact CD2-CE2 3.6Å; L671-F675 PolarHBondContact O-N 3.36Å; F675-E679 HydrophobicContact CD1-CB 4.48Å; F675-L680 HydrophobicContact CB-CB 4.43Å
676	T	82.4	Confident	81.8	Confident	70 Å²	70	60.3 Å²	60.3	43%	0.429	30%	0.301	S	S	.	.			trans	-72.6	150.9	171.1	61.8	0	0	0	0	110.2	R678 E679 L680	T676-R678 PolarHBondContact O-N 3.17Å; T676-R678 VanDerWaalsContact O-N 3.13Å; T676-E679 PolarHBondContact N-OE2 2.85Å; T676-E679 PolarHBondContact O-N 3Å; T676-E679 WeakPolarHBondContact OG1-CG 3.34Å; T676-E679 PolarHBondContact OG1-N 3.48Å; T676-E679 PolarHBondContact OG1-OE2 2.96Å; T676-L680 PolarHBondContact O-N 3.45Å
677	S	77	Confident	80.8	Confident	91 Å²	91	61.1 Å²	61.1	64%	0.636	31%	0.305	S	S	*	.	H	α-helix	trans	-56.2	-33.8	-178.6	-50	0	0	0	0	113.1	Q681	S677-Q681 WeakPolarHBondContact O-CB 3.4Å; S677-Q681 WeakPolarHBondContact O-CG 3.48Å; S677-Q681 PolarHBondContact O-N 2.86Å
678	R	73.5	Confident	79.9	Confident	179 Å²	179	62 Å²	62	68%	0.675	31%	0.311	S	S	*	.	H	α-helix	trans	-68	-46.5	175.8	-70.4	-173.6	177.1	177.2	-0.3	112.5	T676 L680 Q681 V682	T676-R678 PolarHBondContact O-N 3.17Å; T676-R678 VanDerWaalsContact O-N 3.13Å; R678-L680 VanDerWaalsContact C-N 3.3Å; R678-L680 PolarHBondContact O-N 3.32Å; R678-Q681 PolarHBondContact O-N 2.88Å; R678-V682 VanDerWaalsContact O-CG2 3.3Å; R678-V682 WeakPolarHBondContact O-CG2 3.45Å; R678-V682 PolarHBondContact O-N 3.37Å
679	E	80.2	Confident	79.1	Confident	28 Å²	28	63 Å²	63	13%	0.131	32%	0.317	C	S	.	.	H	α-helix	trans	-63.9	-40.1	177.5	-70.9	167	175.1	0	0	111.4	V624 R628 F675 T676 V682 L683	V624-E679 HydrophobicContact CG1-CB 4.5Å; V624-E679 HydrophobicContact CG1-CG 4.19Å; V624-E679 HydrophobicContact CG2-CB 4.31Å; V624-E679 HydrophobicContact CG2-CG 4.24Å; R628-E679 VanDerWaalsContact CD-CD 3.43Å; R628-E679 WeakPolarHBondContact CD-OE1 3.45Å; R628-E679 WeakPolarHBondContact CD-OE2 3.35Å; R628-E679 IonicContact CZ-OE1 3.15Å; R628-E679 VanDerWaalsContact CZ-OE1 3.25Å; R628-E679 IonicContact CZ-OE2 3.37Å; R628-E679 IonicContact NE-OE1 2.96Å; R628-E679 PolarHBondContact NE-OE1 3.22Å; R628-E679 IonicContact NE-OE2 3.26Å; R628-E679 IonicContact NH1-OE1 3.82Å; R628-E679 PolarHBondContact NH1-OE1 2.71Å; R628-E679 IonicContact NH1-OE2 3.86Å; R628-E679 PolarHBondContact NH1-OE2 2.85Å; F675-E679 HydrophobicContact CD1-CB 4.48Å; T676-E679 PolarHBondContact N-OE2 2.85Å; T676-E679 PolarHBondContact O-N 3Å; T676-E679 WeakPolarHBondContact OG1-CG 3.34Å; T676-E679 PolarHBondContact OG1-N 3.48Å; T676-E679 PolarHBondContact OG1-OE2 2.96Å; E679-V682 PolarHBondContact O-N 3.21Å; E679-L683 WeakPolarHBondContact O-CG 3.46Å; E679-L683 PolarHBondContact O-N 3.01Å; E679-L683 VanDerWaalsContact O-N 3.1Å
680	L	81.4	Confident	78.3	Confident	17 Å²	17	64.1 Å²	64.1	9%	0.089	32%	0.315	C	S	.	.	H	α-helix	trans	-66.7	-42	179	-169	64	0	0	0	111.5	F632 L671 E672 F675 T676 R678 V682 L683 D684	F632-L680 HydrophobicContact CE2-CD1 4.39Å; L671-L680 HydrophobicContact CB-CD1 4.12Å; E672-L680 HydrophobicContact CG-CD2 4.3Å; F675-L680 HydrophobicContact CB-CB 4.43Å; T676-L680 PolarHBondContact O-N 3.45Å; R678-L680 VanDerWaalsContact C-N 3.3Å; R678-L680 PolarHBondContact O-N 3.32Å; L680-V682 PolarHBondContact O-N 3.33Å; L680-L683 PolarHBondContact O-N 3.21Å; L680-D684 HydrophobicContact CD1-CB 4.16Å; L680-D684 CarbonylContact O-C 3.6Å; L680-D684 WeakPolarHBondContact O-CA 3.49Å; L680-D684 WeakPolarHBondContact O-CB 3.42Å; L680-D684 PolarHBondContact O-N 2.85Å
681	Q	76.4	Confident	77.6	Confident	91 Å²	91	65.8 Å²	65.8	43%	0.425	32%	0.319	S	S	.	.	H	α-helix	trans	-63.7	-25.1	175.8	-78.3	171.6	2.2	0	0	114.1	S677 R678 D684 P686	S677-Q681 WeakPolarHBondContact O-CB 3.4Å; S677-Q681 WeakPolarHBondContact O-CG 3.48Å; S677-Q681 PolarHBondContact O-N 2.86Å; R678-Q681 PolarHBondContact O-N 2.88Å; Q681-D684 CarbonylContact C-O 3.59Å; Q681-D684 VanDerWaalsContact C-O 3.28Å; Q681-D684 WeakPolarHBondContact CA-O 3.49Å; Q681-D684 VanDerWaalsContact O-O 3.09Å; Q681-P686 HydrophobicContact CG-CB 4.42Å
682	V	76.2	Confident	76.9	Confident	43 Å²	43	70.5 Å²	70.5	26%	0.261	34%	0.341	S	S	.	.	H	α-helix	trans	-83.9	-36.1	178	170.5	0	0	0	0	111.4	W620 Q623 V624 R678 E679 L680	W620-V682 HydrophobicContact CB-CG1 3.65Å; Q623-V682 HydrophobicContact CB-CG1 3.98Å; Q623-V682 HydrophobicContact CB-CG2 4.36Å; V624-V682 HydrophobicContact CG2-CB 4.09Å; V624-V682 HydrophobicContact CG2-CG1 3.87Å; R678-V682 VanDerWaalsContact O-CG2 3.3Å; R678-V682 WeakPolarHBondContact O-CG2 3.45Å; R678-V682 PolarHBondContact O-N 3.37Å; E679-V682 PolarHBondContact O-N 3.21Å; L680-V682 PolarHBondContact O-N 3.33Å
683	L	80.8	Confident	76	Confident	4 Å²	4	66.1 Å²	66.1	2%	0.021	32%	0.321	C	S	.	.	H	α-helix	trans	-88.2	-26.4	-178.6	-68.3	173.7	0	0	0	113.4	W620 V624 V629 F632 E679 L680	W620-L683 HydrophobicContact CE3-CD2 4.41Å; V624-L683 HydrophobicContact CG1-CD1 4.27Å; V624-L683 HydrophobicContact CG2-CG 4.32Å; V629-L683 HydrophobicContact CG2-CD2 4.33Å; F632-L683 HydrophobicContact CB-CD1 4.08Å; F632-L683 HydrophobicContact CD2-CB 4.49Å; F632-L683 HydrophobicContact CD2-CD1 4.21Å; F632-L683 HydrophobicContact CE2-CB 4.3Å; F632-L683 HydrophobicContact CG-CD1 4.05Å; F632-L683 HydrophobicContact CZ-CB 4.3Å; E679-L683 WeakPolarHBondContact O-CG 3.46Å; E679-L683 PolarHBondContact O-N 3.01Å; E679-L683 VanDerWaalsContact O-N 3.1Å; L680-L683 PolarHBondContact O-N 3.21Å
684	D	82.2	Confident	75.2	Confident	3 Å²	3	61.3 Å²	61.3	2%	0.016	30%	0.303	C	S	.	.	S	Bend	trans	-149.3	168.5	-171.6	-169.2	31.4	0	0	0	110.2	T294 R295 F296 F632 R667 L680 Q681	T294-D684 WeakPolarHBondContact CB-OD1 3.37Å; T294-D684 PolarHBondContact OG1-OD1 3.34Å; T294-D684 PolarHBondContact OG1-OD2 3.41Å; T294-D684 VanDerWaalsContact OG1-OD2 3.07Å; R295-D684 VanDerWaalsContact CB-OD1 3.31Å; R295-D684 WeakPolarHBondContact CB-OD1 3.28Å; R295-D684 PolarHBondContact N-OD1 3Å; F296-D684 PolarHBondContact N-OD1 3.39Å; F632-D684 HydrophobicContact CE2-CB 4.42Å; F632-D684 HydrophobicContact CZ-CB 4.3Å; R667-D684 IonicContact CZ-OD2 2.74Å; R667-D684 IonicContact NE-OD2 3.08Å; R667-D684 PolarHBondContact NE-OD2 3.29Å; R667-D684 IonicContact NH2-OD2 3.52Å; R667-D684 PolarHBondContact NH2-OD2 3.01Å; L680-D684 HydrophobicContact CD1-CB 4.16Å; L680-D684 CarbonylContact O-C 3.6Å; L680-D684 WeakPolarHBondContact O-CA 3.49Å; L680-D684 WeakPolarHBondContact O-CB 3.42Å; L680-D684 PolarHBondContact O-N 2.85Å; Q681-D684 CarbonylContact C-O 3.59Å; Q681-D684 VanDerWaalsContact C-O 3.28Å; Q681-D684 WeakPolarHBondContact CA-O 3.49Å; Q681-D684 VanDerWaalsContact O-O 3.09Å
685	D	74.2	Confident	74.2	Confident	58 Å²	58	63.8 Å²	63.8	31%	0.31	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-79	151.9	-179.2	-57.8	-54	0	0	0	111.7	T294 R295 R667 L687	T294-D685 HydrophobicContact CG2-CB 3.97Å; R295-D685 PolarHBondContact N-OD2 3.29Å; R667-D685 PolarHBondContact NH2-O 2.88Å; D685-L687 PolarHBondContact O-N 3.41Å
686	P	68.3	Low	73	Confident	52 Å²	52	64.3 Å²	64.3	34%	0.338	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-66.9	132.9	175.5	25.8	-32.9	0	0	0	112.4	Q681 P688	Q681-P686 HydrophobicContact CG-CB 4.42Å; P686-P688 WeakPolarHBondContact O-CD 3.49Å
687	L	68.1	Low	72.1	Confident	35 Å²	35	64.6 Å²	64.6	18%	0.183	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-72.9	124.9	170.4	-86	114.2	0	0	0	111.9	F292 R667 K668 E672 D685	F292-L687 HydrophobicContact CD1-CD2 4.08Å; R667-L687 VanDerWaalsContact NE-CD1 3.33Å; K668-L687 HydrophobicContact CB-CD2 4.19Å; K668-L687 HydrophobicContact CD-CD2 4.27Å; K668-L687 HydrophobicContact CG-CD2 4.14Å; E672-L687 WeakPolarHBondContact OE1-CD1 3.32Å; D685-L687 PolarHBondContact O-N 3.41Å
688	P	67	Low	71.2	Confident	20 Å²	20	68.2 Å²	68.2	13%	0.13	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-69.5	146.4	164.6	30	-33.8	0	0	0	110.6	A291 F292 P686 L693	A291-P688 HydrophobicContact CB-CG 4.06Å; A291-P688 WeakPolarHBondContact O-CD 3.29Å; F292-P688 WeakPolarHBondContact CE1-O 3.37Å; P686-P688 WeakPolarHBondContact O-CD 3.49Å; P688-L693 HydrophobicContact CB-CD1 4.46Å; P688-L693 HydrophobicContact CB-CD2 4.02Å; P688-L693 HydrophobicContact CB-CG 4.05Å; P688-L693 HydrophobicContact CG-CD1 3.88Å; P688-L693 HydrophobicContact CG-CD2 3.87Å; P688-L693 HydrophobicContact CG-CG 3.96Å
689	H	69.9	Low	70.5	Confident	96 Å²	96	62.9 Å²	62.9	44%	0.444	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-72.7	139.2	173.7	-165.4	72.3	0	0	0	110	K691 E692 L693	H689-K691 PolarHBondContact O-N 2.93Å; H689-K691 VanDerWaalsContact O-N 3.07Å; H689-E692 HydrophobicContact CB-CG 4.25Å; H689-E692 PolarHBondContact N-OE2 3.12Å; H689-E692 WeakPolarHBondContact O-CA 3.34Å; H689-E692 WeakPolarHBondContact O-CB 3.32Å; H689-E692 PolarHBondContact O-N 3.21Å; H689-L693 PolarHBondContact O-N 3.5Å
690	W	70	Confident	69.4	Low	121 Å²	121	64.3 Å²	64.3	46%	0.458	31%	0.308	S	S	.	.	H	α-helix	trans	-56.3	-32.2	-175.8	69.2	-77.6	0	0	0	114	F292 E692 L693 L694	F292-W690 HydrophobicContact CZ-CB 3.81Å; W690-E692 VanDerWaalsContact C-N 3.29Å; W690-E692 PolarHBondContact O-N 3.31Å; W690-L693 PolarHBondContact O-N 3.4Å; W690-L694 HydrophobicContact CE3-CD1 3.55Å; W690-L694 HydrophobicContact CZ3-CD1 3.81Å; W690-L694 WeakPolarHBondContact O-CG 3.4Å; W690-L694 PolarHBondContact O-N 3.41Å
691	K	71.6	Confident	68.3	Low	108 Å²	108	70.4 Å²	70.4	47%	0.47	33%	0.331	S	S	.	.	H	α-helix	trans	-68.6	-25.9	175.1	-57.4	-178.8	178.5	175.8	0	113	H689 R695	H689-K691 PolarHBondContact O-N 2.93Å; H689-K691 VanDerWaalsContact O-N 3.07Å; K691-R695 WeakPolarHBondContact O-CD 3.37Å; K691-R695 WeakPolarHBondContact O-CG 3.47Å; K691-R695 PolarHBondContact O-N 2.97Å
692	E	70	Confident	67.6	Low	98 Å²	98	69.7 Å²	69.7	46%	0.458	33%	0.33	S	S	.	.	H	α-helix	trans	-76.6	-40.1	177.6	-65.9	175.2	164.8	0	0	111.1	H689 W690 R695	H689-E692 HydrophobicContact CB-CG 4.25Å; H689-E692 PolarHBondContact N-OE2 3.12Å; H689-E692 WeakPolarHBondContact O-CA 3.34Å; H689-E692 WeakPolarHBondContact O-CB 3.32Å; H689-E692 PolarHBondContact O-N 3.21Å; W690-E692 VanDerWaalsContact C-N 3.29Å; W690-E692 PolarHBondContact O-N 3.31Å; E692-R695 PolarHBondContact O-N 3.01Å
693	L	67.1	Low	66.8	Low	8 Å²	8	74.2 Å²	74.2	4%	0.042	35%	0.346	C	S	.	.	H	α-helix	trans	-64.9	-40.2	175.5	-68.1	179.9	0	0	0	112.6	L168 R170 V288 A291 F292 P688 H689 W690 R695	L168-L693 VanDerWaalsContact O-CD2 3.3Å; L168-L693 WeakPolarHBondContact O-CD2 3.28Å; R170-L693 WeakPolarHBondContact CB-O 3.5Å; R170-L693 PolarHBondContact N-O 2.87Å; V288-L693 HydrophobicContact CG1-CB 3.91Å; V288-L693 HydrophobicContact CG1-CD2 4.01Å; V288-L693 HydrophobicContact CG1-CG 4.38Å; A291-L693 HydrophobicContact CB-CD1 4.11Å; A291-L693 HydrophobicContact CB-CD2 3.83Å; F292-L693 HydrophobicContact CD1-CD1 4.32Å; F292-L693 HydrophobicContact CD2-CD1 4.26Å; F292-L693 HydrophobicContact CE1-CD1 3.83Å; F292-L693 HydrophobicContact CE2-CD1 3.77Å; F292-L693 HydrophobicContact CZ-CD1 3.53Å; P688-L693 HydrophobicContact CB-CD1 4.46Å; P688-L693 HydrophobicContact CB-CD2 4.02Å; P688-L693 HydrophobicContact CB-CG 4.05Å; P688-L693 HydrophobicContact CG-CD1 3.88Å; P688-L693 HydrophobicContact CG-CD2 3.87Å; P688-L693 HydrophobicContact CG-CG 3.96Å; H689-L693 PolarHBondContact O-N 3.5Å; W690-L693 PolarHBondContact O-N 3.4Å; L693-R695 VanDerWaalsContact C-N 3.34Å
694	L	69.1	Low	65.6	Low	73 Å²	73	76.5 Å²	76.5	38%	0.382	36%	0.362	S	S	.	.	H	α-helix	trans	-76.7	-18.8	179.2	-71	174.5	0	0	0	113.6	W690 S696	W690-L694 HydrophobicContact CE3-CD1 3.55Å; W690-L694 HydrophobicContact CZ3-CD1 3.81Å; W690-L694 WeakPolarHBondContact O-CG 3.4Å; W690-L694 PolarHBondContact O-N 3.41Å; L694-S696 PolarHBondContact O-N 3.45Å
695	R	66.5	Low	64.6	Low	132 Å²	132	78.6 Å²	78.6	50%	0.498	37%	0.374	S	S	.	.	S	Bend	trans	-67.8	126.9	174.9	-87.8	169	-171.9	-180	6.1	108.8	K691 E692 L693	K691-R695 WeakPolarHBondContact O-CD 3.37Å; K691-R695 WeakPolarHBondContact O-CG 3.47Å; K691-R695 PolarHBondContact O-N 2.97Å; E692-R695 PolarHBondContact O-N 3.01Å; L693-R695 VanDerWaalsContact C-N 3.34Å
696	S	61.6	Low	64.1	Low	24 Å²	24	81.6 Å²	81.6	17%	0.168	39%	0.389	C	S	.	.			trans	-68.5	140.4	-178.5	82	0	0	0	0	110.8	R170 L694 R698 T699 S700	R170-S696 CarbonylContact O-C 3.39Å; R170-S696 WeakPolarHBondContact O-CA 3.39Å; L694-S696 PolarHBondContact O-N 3.45Å; S696-R698 PolarHBondContact O-N 3.31Å; S696-R698 VanDerWaalsContact O-N 3.07Å; S696-T699 PolarHBondContact N-OG1 2.83Å; S696-T699 PolarHBondContact O-N 3.45Å; S696-T699 PolarHBondContact O-OG1 3.45Å; S696-T699 WeakPolarHBondContact OG-CG2 3.49Å; S696-T699 PolarHBondContact OG-N 3.22Å; S696-T699 VanDerWaalsContact OG-N 3.17Å; S696-T699 PolarHBondContact OG-OG1 2.8Å; S696-S700 PolarHBondContact O-N 3.1Å
697	K	63.4	Low	63.8	Low	75 Å²	75	87 Å²	87	33%	0.326	41%	0.407	S	S	.	.	H	α-helix	trans	-47.9	-38.9	173.7	-85.3	-169.8	175.1	-178.6	0	111.7	Q169 R170 S700 Y701	Q169-K697 HydrophobicContact CB-CD 4.35Å; Q169-K697 HydrophobicContact CB-CG 3.62Å; R170-K697 PolarHBondContact O-N 2.92Å; K697-S700 WeakPolarHBondContact O-CB 3.43Å; K697-S700 PolarHBondContact O-N 3.23Å; K697-Y701 WeakPolarHBondContact O-CB 3.43Å; K697-Y701 PolarHBondContact O-N 2.95Å
698	R	58.5	Low	63	Low	167 Å²	167	92.1 Å²	92.1	63%	0.63	43%	0.428	S	S	*	.	H	α-helix	trans	-61	-48.4	177.4	-168.6	176.3	-174.8	174.6	3.7	112.4	S696 S700 Y701 D702	S696-R698 PolarHBondContact O-N 3.31Å; S696-R698 VanDerWaalsContact O-N 3.07Å; R698-S700 VanDerWaalsContact C-N 3.28Å; R698-S700 PolarHBondContact O-N 3.44Å; R698-Y701 PolarHBondContact O-N 3.06Å; R698-D702 WeakPolarHBondContact O-CB 3.21Å; R698-D702 VanDerWaalsContact O-CG 3.32Å; R698-D702 PolarHBondContact O-N 3.39Å
699	T	58.2	Low	62.6	Low	68 Å²	68	95.4 Å²	95.4	42%	0.417	44%	0.443	S	S	.	.	H	α-helix	trans	-65.3	-32.5	177.1	57.2	0	0	0	0	113	S696 K703	S696-T699 PolarHBondContact N-OG1 2.83Å; S696-T699 PolarHBondContact O-N 3.45Å; S696-T699 PolarHBondContact O-OG1 3.45Å; S696-T699 WeakPolarHBondContact OG-CG2 3.49Å; S696-T699 PolarHBondContact OG-N 3.22Å; S696-T699 VanDerWaalsContact OG-N 3.17Å; S696-T699 PolarHBondContact OG-OG1 2.8Å; T699-K703 WeakPolarHBondContact O-CB 3.43Å; T699-K703 PolarHBondContact O-N 3.05Å; T699-K703 VanDerWaalsContact O-N 3.12Å
700	S	57.1	Low	62	Low	57 Å²	57	99.3 Å²	99.3	40%	0.399	45%	0.454	S	S	.	.	H	α-helix	trans	-67.6	-45.1	174.3	-164.4	0	0	0	0	111.3	S696 K697 R698 K703 S704	S696-S700 PolarHBondContact O-N 3.1Å; K697-S700 WeakPolarHBondContact O-CB 3.43Å; K697-S700 PolarHBondContact O-N 3.23Å; R698-S700 VanDerWaalsContact C-N 3.28Å; R698-S700 PolarHBondContact O-N 3.44Å; S700-K703 PolarHBondContact O-N 3.34Å; S700-S704 WeakPolarHBondContact O-CB 3.45Å; S700-S704 PolarHBondContact O-N 3.26Å; S700-S704 PolarHBondContact O-OG 3.34Å
701	Y	57.5	Low	61.2	Low	145 Å²	145	95 Å²	95	57%	0.569	45%	0.448	S	S	*	.	H	α-helix	trans	-63.4	-44.6	176.3	-173.8	-99.5	0	0	0	112.5	K697 R698 K703 S704 N705	K697-Y701 WeakPolarHBondContact O-CB 3.43Å; K697-Y701 PolarHBondContact O-N 2.95Å; R698-Y701 PolarHBondContact O-N 3.06Å; Y701-K703 VanDerWaalsContact C-N 3.33Å; Y701-K703 PolarHBondContact O-N 2.86Å; Y701-S704 PolarHBondContact O-N 3.38Å; Y701-S704 PolarHBondContact O-OG 3.11Å; Y701-N705 WeakPolarHBondContact CE1-ND2 3.45Å; Y701-N705 WeakPolarHBondContact O-CB 3.48Å; Y701-N705 PolarHBondContact O-N 3.11Å; Y701-N705 PolarHBondContact OH-ND2 3.34Å
702	D	61.6	Low	60.5	Low	77 Å²	77	96.1 Å²	96.1	41%	0.412	45%	0.454	S	S	.	.	H	α-helix	trans	-63.5	-40.2	177.5	-70.4	-21.6	0	0	0	111.1	R698 L706	R698-D702 WeakPolarHBondContact O-CB 3.21Å; R698-D702 VanDerWaalsContact O-CG 3.32Å; R698-D702 PolarHBondContact O-N 3.39Å; D702-L706 WeakPolarHBondContact O-CB 3.45Å; D702-L706 PolarHBondContact O-N 2.92Å
703	K	59.5	Low	60.1	Low	138 Å²	138	96.6 Å²	96.6	60%	0.6	46%	0.457	S	S	*	.	H	α-helix	trans	-68.3	-40	174.8	-87	-173.9	176.1	179.6	0	113.4	T699 S700 Y701 N705 L706 K707	T699-K703 WeakPolarHBondContact O-CB 3.43Å; T699-K703 PolarHBondContact O-N 3.05Å; T699-K703 VanDerWaalsContact O-N 3.12Å; S700-K703 PolarHBondContact O-N 3.34Å; Y701-K703 VanDerWaalsContact C-N 3.33Å; Y701-K703 PolarHBondContact O-N 2.86Å; K703-N705 VanDerWaalsContact C-N 3.35Å; K703-L706 PolarHBondContact O-N 3.44Å; K703-K707 WeakPolarHBondContact O-CB 3.01Å; K703-K707 WeakPolarHBondContact O-CG 3.35Å; K703-K707 PolarHBondContact O-N 3.23Å
704	S	56.5	Low	59.8	Low	51 Å²	51	99.7 Å²	99.7	36%	0.357	48%	0.476	S	S	.	.	H	α-helix	trans	-68.4	-38.9	179.2	69.1	0	0	0	0	110.7	S700 Y701 K707 K708	S700-S704 WeakPolarHBondContact O-CB 3.45Å; S700-S704 PolarHBondContact O-N 3.26Å; S700-S704 PolarHBondContact O-OG 3.34Å; Y701-S704 PolarHBondContact O-N 3.38Å; Y701-S704 PolarHBondContact O-OG 3.11Å; S704-K707 PolarHBondContact O-N 3.38Å; S704-K708 WeakPolarHBondContact O-CG 3.42Å; S704-K708 PolarHBondContact O-N 3.4Å
705	N	60.4	Low	59.1	Low	48 Å²	48	102.3 Å²	102.3	26%	0.257	49%	0.488	S	S	.	.	H	α-helix	trans	-64.7	-44.6	169.9	-81.2	-13.5	0	0	0	112.1	Y701 K703 K707 K708 I709	Y701-N705 WeakPolarHBondContact CE1-ND2 3.45Å; Y701-N705 WeakPolarHBondContact O-CB 3.48Å; Y701-N705 PolarHBondContact O-N 3.11Å; Y701-N705 PolarHBondContact OH-ND2 3.34Å; K703-N705 VanDerWaalsContact C-N 3.35Å; N705-K707 VanDerWaalsContact C-N 3.31Å; N705-K707 PolarHBondContact O-N 3.14Å; N705-K708 PolarHBondContact O-N 3.16Å; N705-K708 VanDerWaalsContact O-N 3.15Å; N705-I709 VanDerWaalsContact O-CG1 3.27Å; N705-I709 WeakPolarHBondContact O-CG1 3.13Å; N705-I709 PolarHBondContact O-N 2.58Å
706	L	65	Low	58.6	Low	120 Å²	120	101.8 Å²	101.8	63%	0.628	49%	0.494	S	S	*	.	H	α-helix	trans	-58.8	-42.9	174.6	-119.8	103.5	0	0	0	111.7	D702 K703 I709 R710	D702-L706 WeakPolarHBondContact O-CB 3.45Å; D702-L706 PolarHBondContact O-N 2.92Å; K703-L706 PolarHBondContact O-N 3.44Å; L706-I709 PolarHBondContact O-N 3.36Å; L706-R710 WeakPolarHBondContact O-CB 3.44Å; L706-R710 PolarHBondContact O-N 3.15Å
707	K	60.8	Low	58.6	Low	166 Å²	166	105.6 Å²	105.6	72%	0.722	51%	0.512	S	S	*	.	H	α-helix	trans	-64.5	-39.5	175.8	-81.7	-173.7	177.1	-174.8	0	112.1	K703 S704 N705 G711	K703-K707 WeakPolarHBondContact O-CB 3.01Å; K703-K707 WeakPolarHBondContact O-CG 3.35Å; K703-K707 PolarHBondContact O-N 3.23Å; S704-K707 PolarHBondContact O-N 3.38Å; N705-K707 VanDerWaalsContact C-N 3.31Å; N705-K707 PolarHBondContact O-N 3.14Å; K707-G711 PolarHBondContact O-N 2.87Å
708	K	52.1	Low	58.6	Low	142 Å²	142	108.3 Å²	108.3	62%	0.617	53%	0.526	S	S	*	.	H	α-helix	trans	-63.1	-45.9	174.6	-81.8	-178.6	178.7	178.1	0	111.4	S704 N705 G711 Q712	S704-K708 WeakPolarHBondContact O-CG 3.42Å; S704-K708 PolarHBondContact O-N 3.4Å; N705-K708 PolarHBondContact O-N 3.16Å; N705-K708 VanDerWaalsContact O-N 3.15Å; K708-G711 PolarHBondContact O-N 3.1Å; K708-Q712 WeakPolarHBondContact O-CG 3.13Å; K708-Q712 PolarHBondContact O-N 3.44Å
709	I	57.5	Low	58.9	Low	89 Å²	89	104.2 Å²	104.2	46%	0.456	52%	0.52	S	S	.	.	H	α-helix	trans	-61.2	-49.2	176.9	-66.3	164.5	0	0	0	109.8	N705 L706 G711 Q712 E713	N705-I709 VanDerWaalsContact O-CG1 3.27Å; N705-I709 WeakPolarHBondContact O-CG1 3.13Å; N705-I709 PolarHBondContact O-N 2.58Å; L706-I709 PolarHBondContact O-N 3.36Å; I709-G711 VanDerWaalsContact C-N 3.31Å; I709-G711 PolarHBondContact O-N 3.36Å; I709-Q712 WeakPolarHBondContact O-CB 3.27Å; I709-Q712 PolarHBondContact O-N 2.92Å; I709-Q712 VanDerWaalsContact O-N 3.14Å; I709-E713 WeakPolarHBondContact O-CG 3.05Å; I709-E713 PolarHBondContact O-N 2.73Å
710	R	58.7	Low	59	Low	178 Å²	178	110.3 Å²	110.3	67%	0.672	54%	0.535	S	S	*	.	H	α-helix	trans	-62.8	-37.2	178.3	-140.8	-179.3	-144.9	-172.2	4.5	112.6	L706 E713 T714	L706-R710 WeakPolarHBondContact O-CB 3.44Å; L706-R710 PolarHBondContact O-N 3.15Å; R710-E713 PolarHBondContact O-N 3.49Å; R710-T714 PolarHBondContact O-N 3.03Å; R710-T714 PolarHBondContact O-OG1 3.31Å
711	G	52.4	Low	59.4	Low	31 Å²	31	114.7 Å²	114.7	32%	0.32	55%	0.549	S	S	.	.	H	α-helix	trans	-64.5	-39.8	174.4	0	0	0	0	0	112.7	K707 K708 I709 T714 M715	K707-G711 PolarHBondContact O-N 2.87Å; K708-G711 PolarHBondContact O-N 3.1Å; I709-G711 VanDerWaalsContact C-N 3.31Å; I709-G711 PolarHBondContact O-N 3.36Å; G711-T714 VanDerWaalsContact CA-OG1 3.28Å; G711-T714 WeakPolarHBondContact CA-OG1 3.43Å; G711-T714 PolarHBondContact O-OG1 3.46Å; G711-M715 WeakPolarHBondContact O-CG 3.49Å; G711-M715 PolarHBondContact O-N 2.95Å
712	Q	58	Low	59.6	Low	131 Å²	131	116.5 Å²	116.5	61%	0.612	56%	0.56	S	S	*	*	H	α-helix	trans	-66.7	-41.1	172.8	-75.3	177.7	-26.2	0	0	111.7	K708 I709 M715 L716	K708-Q712 WeakPolarHBondContact O-CG 3.13Å; K708-Q712 PolarHBondContact O-N 3.44Å; I709-Q712 WeakPolarHBondContact O-CB 3.27Å; I709-Q712 PolarHBondContact O-N 2.92Å; I709-Q712 VanDerWaalsContact O-N 3.14Å; Q712-M715 PolarHBondContact O-N 3.44Å; Q712-L716 WeakPolarHBondContact O-CB 3.32Å; Q712-L716 WeakPolarHBondContact O-CG 3.4Å; Q712-L716 PolarHBondContact O-N 3.49Å
713	E	60.4	Low	59.3	Low	108 Å²	108	119.4 Å²	119.4	51%	0.505	58%	0.575	S	S	.	*	H	α-helix	trans	-61.3	-44.7	174.1	-73.3	175.5	166.2	0	0	111.9	I709 R710 L716 L717	I709-E713 WeakPolarHBondContact O-CG 3.05Å; I709-E713 PolarHBondContact O-N 2.73Å; R710-E713 PolarHBondContact O-N 3.49Å; E713-L716 PolarHBondContact O-N 2.96Å; E713-L717 WeakPolarHBondContact O-CG 3.46Å; E713-L717 PolarHBondContact O-N 3.08Å
714	T	60.5	Low	58.5	Low	74 Å²	74	126.1 Å²	126.1	45%	0.454	60%	0.597	S	S	.	*	H	α-helix	trans	-64.2	-41.1	175.8	41.4	0	0	0	0	112.5	R710 G711 L716 L717 E718	R710-T714 PolarHBondContact O-N 3.03Å; R710-T714 PolarHBondContact O-OG1 3.31Å; G711-T714 VanDerWaalsContact CA-OG1 3.28Å; G711-T714 WeakPolarHBondContact CA-OG1 3.43Å; G711-T714 PolarHBondContact O-OG1 3.46Å; T714-L716 VanDerWaalsContact C-N 3.35Å; T714-L716 PolarHBondContact O-N 3.45Å; T714-L717 PolarHBondContact O-N 3.47Å; T714-E718 WeakPolarHBondContact O-CG 3.45Å; T714-E718 PolarHBondContact O-N 3.42Å
715	M	55.5	Low	58.6	Low	127 Å²	127	129.9 Å²	129.9	63%	0.626	61%	0.609	S	S	*	*	H	α-helix	trans	-64.3	-39.7	174.6	-79.9	-120.7	-63.9	0	0	111.9	G711 Q712 L717 E718 V719	G711-M715 WeakPolarHBondContact O-CG 3.49Å; G711-M715 PolarHBondContact O-N 2.95Å; Q712-M715 PolarHBondContact O-N 3.44Å; M715-L717 VanDerWaalsContact C-N 3.33Å; M715-E718 PolarHBondContact O-N 3.25Å; M715-V719 WeakPolarHBondContact O-CB 3.49Å; M715-V719 VanDerWaalsContact O-CG2 3.25Å; M715-V719 WeakPolarHBondContact O-CG2 3.45Å; M715-V719 PolarHBondContact O-N 3.09Å
716	L	55.1	Low	58.5	Low	121 Å²	121	134.2 Å²	134.2	63%	0.634	63%	0.627	S	S	*	*	H	α-helix	trans	-65	-37	175.8	-80.4	163.4	0	0	0	112.1	Q712 E713 T714 R720	Q712-L716 WeakPolarHBondContact O-CB 3.32Å; Q712-L716 WeakPolarHBondContact O-CG 3.4Å; Q712-L716 PolarHBondContact O-N 3.49Å; E713-L716 PolarHBondContact O-N 2.96Å; T714-L716 VanDerWaalsContact C-N 3.35Å; T714-L716 PolarHBondContact O-N 3.45Å; L716-R720 WeakPolarHBondContact O-CB 3.38Å; L716-R720 PolarHBondContact O-N 3.29Å
717	L	61.6	Low	58.1	Low	105 Å²	105	134.9 Å²	134.9	55%	0.55	63%	0.627	S	S	.	*	H	α-helix	trans	-66.6	-47	174	-75.3	166.2	0	0	0	111.7	E713 T714 M715 V719 R720 E721	E713-L717 WeakPolarHBondContact O-CG 3.46Å; E713-L717 PolarHBondContact O-N 3.08Å; T714-L717 PolarHBondContact O-N 3.47Å; M715-L717 VanDerWaalsContact C-N 3.33Å; L717-V719 VanDerWaalsContact C-N 3.31Å; L717-V719 PolarHBondContact O-N 3.31Å; L717-R720 WeakPolarHBondContact O-CB 3.29Å; L717-R720 PolarHBondContact O-N 3.11Å; L717-R720 VanDerWaalsContact O-N 3.12Å; L717-E721 PolarHBondContact O-N 2.82Å
718	E	63.9	Low	58	Low	131 Å²	131	133.1 Å²	133.1	61%	0.612	62%	0.622	S	S	*	*	H	α-helix	trans	-59.6	-41.1	175.7	-76.8	-177.5	174.7	0	0	111.8	T714 M715 E721 K722	T714-E718 WeakPolarHBondContact O-CG 3.45Å; T714-E718 PolarHBondContact O-N 3.42Å; M715-E718 PolarHBondContact O-N 3.25Å; E718-E721 PolarHBondContact O-N 3.02Å; E718-K722 WeakPolarHBondContact O-CB 3.21Å; E718-K722 PolarHBondContact O-N 3.04Å
719	V	64.7	Low	58.3	Low	82 Å²	82	132.6 Å²	132.6	50%	0.497	62%	0.622	S	S	.	*	H	α-helix	trans	-66.2	-38.2	175.8	171.6	0	0	0	0	111.5	M715 L717 K722 N723	M715-V719 WeakPolarHBondContact O-CB 3.49Å; M715-V719 VanDerWaalsContact O-CG2 3.25Å; M715-V719 WeakPolarHBondContact O-CG2 3.45Å; M715-V719 PolarHBondContact O-N 3.09Å; L717-V719 VanDerWaalsContact C-N 3.31Å; L717-V719 PolarHBondContact O-N 3.31Å; V719-K722 PolarHBondContact O-N 3.18Å; V719-N723 WeakPolarHBondContact O-CB 3.27Å; V719-N723 PolarHBondContact O-N 2.98Å; V719-N723 VanDerWaalsContact O-N 3.08Å; V719-N723 PolarHBondContact O-ND2 3.13Å
720	R	61	Low	58.4	Low	196 Å²	196	135.5 Å²	135.5	74%	0.74	63%	0.633	S	S	*	*	H	α-helix	trans	-65.6	-40.3	174.7	-103.2	-176.6	171.7	177.1	-1.2	112.5	L716 L717 N723 R724	L716-R720 WeakPolarHBondContact O-CB 3.38Å; L716-R720 PolarHBondContact O-N 3.29Å; L717-R720 WeakPolarHBondContact O-CB 3.29Å; L717-R720 PolarHBondContact O-N 3.11Å; L717-R720 VanDerWaalsContact O-N 3.12Å; R720-N723 PolarHBondContact O-N 3.2Å; R720-R724 PolarHBondContact O-N 3.25Å
721	E	65.6	Low	58.4	Low	149 Å²	149	132.4 Å²	132.4	70%	0.696	63%	0.63	S	S	*	*	H	α-helix	trans	-67.9	-35.4	175.4	-77.4	-173.4	163.1	0	0	112.1	L717 E718 N723 R724	L717-E721 PolarHBondContact O-N 2.82Å; E718-E721 PolarHBondContact O-N 3.02Å; E721-N723 VanDerWaalsContact C-N 3.33Å; E721-R724 PolarHBondContact O-N 3.1Å
722	K	60.2	Low	58.8	Low	183 Å²	183	140.2 Å²	140.2	80%	0.796	65%	0.654	S	S	*	*	H	α-helix	trans	-73	-24.7	177.3	-133.8	178.4	-172.9	177.4	0	114.2	E718 V719	E718-K722 WeakPolarHBondContact O-CB 3.21Å; E718-K722 PolarHBondContact O-N 3.04Å; V719-K722 PolarHBondContact O-N 3.18Å
723	N	55.5	Low	58.9	Low	137 Å²	137	141 Å²	141	73%	0.733	66%	0.658	S	S	*	*	H	α-helix	trans	-88	-17	176.7	-75.5	-17	0	0	0	112.8	V719 R720 E721	V719-N723 WeakPolarHBondContact O-CB 3.27Å; V719-N723 PolarHBondContact O-N 2.98Å; V719-N723 VanDerWaalsContact O-N 3.08Å; V719-N723 PolarHBondContact O-ND2 3.13Å; R720-N723 PolarHBondContact O-N 3.2Å; E721-N723 VanDerWaalsContact C-N 3.33Å
724	R	42.8	Very low	58.8	Low	279 Å²	279	144 Å²	144	100%	1.053	67%	0.672	S	S	*	*			trans	-80.6	0	164.2	-90	-174.1	172.6	-177.9	-2.4	109.6	R720 E721	R720-R724 PolarHBondContact O-N 3.25Å; E721-R724 PolarHBondContact O-N 3.1Å

Retrieved 724 of 724 residues in 637.1 ms (Link to these results)

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