A0A5K4F551_SCHMA Loading...

Choline transporter-like protein

Choline transporter.

AlphaFold DB , UniProt , Accession A0A5K4F551, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 725 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	33.4	Very low	34.2	Very low	255 Å²	255	129.5 Å²	129.5	100%	1.256	81%	0.812	S	S	*	*				0	116.1	0	-63	-173.6	-159.9	0	0	106.4
2	G	36	Very low	33.8	Very low	76 Å²	76	130.8 Å²	130.8	78%	0.784	82%	0.819	S	S	*	*			trans	148.3	1.8	-179.4	0	0	0	0	0	118.6	C4	G2-C4 PolarHBondContact O-N 3.32Å
3	C	42	Very low	33.6	Very low	132 Å²	132	134.6 Å²	134.6	89%	0.892	82%	0.816	S	S	*	*			trans	-95.6	28.7	-177	-64.8	0	0	0	0	115.2
4	C	42.6	Very low	33.6	Very low	91 Å²	91	133.4 Å²	133.4	62%	0.615	81%	0.809	S	S	*	*			trans	-131.9	78.4	172.6	-68.5	0	0	0	0	109.3	G2 C582	G2-C4 PolarHBondContact O-N 3.32Å; C4-C582 VanDerWaalsContact SG-SG 3.61Å
5	G	36.6	Very low	33.9	Very low	76 Å²	76	132.7 Å²	132.7	78%	0.784	80%	0.798	S	S	*	*			trans	-58.8	143	171	0	0	0	0	0	111.3	S7	G5-S7 PolarHBondContact O-N 2.8Å
6	Q	32.3	Very low	34.6	Very low	182 Å²	182	137.4 Å²	137.4	85%	0.85	80%	0.797	S	S	*	*			trans	-64.1	110.5	178	-73	169.9	-26.1	0	0	110.1
7	S	31.9	Very low	35.6	Very low	100 Å²	100	131.6 Å²	131.6	70%	0.699	77%	0.765	S	S	*	*			trans	-102.4	99.9	154.3	178.6	0	0	0	0	106.7	G5 D9	G5-S7 PolarHBondContact O-N 2.8Å; S7-D9 PolarHBondContact O-N 3.19Å
8	Q	29.4	Very low	36.9	Very low	164 Å²	164	129.1 Å²	129.1	77%	0.766	75%	0.751	S	S	*	*			trans	-71.5	97.4	164.1	-81.2	-179.7	-17.9	0	0	107.3	T10	Q8-T10 PolarHBondContact O-N 3.27Å
9	D	33.6	Very low	38.3	Very low	153 Å²	153	122.9 Å²	122.9	82%	0.818	72%	0.718	S	S	*	*			trans	-78.8	95.4	162.4	-108.7	-24.8	0	0	0	108.1	S7 G11	S7-D9 PolarHBondContact O-N 3.19Å; D9-G11 PolarHBondContact O-N 3.44Å
10	T	27.6	Very low	39.7	Very low	132 Å²	132	117.3 Å²	117.3	81%	0.81	69%	0.685	S	S	*	*			trans	-74.8	95.5	165.5	38.7	0	0	0	0	108.5	Q8	Q8-T10 PolarHBondContact O-N 3.27Å
11	G	30.6	Very low	41.1	Very low	64 Å²	64	114.2 Å²	114.2	66%	0.66	67%	0.668	S	S	*	*			trans	-160.6	55	-177.3	0	0	0	0	0	113.4	D9 K13	D9-G11 PolarHBondContact O-N 3.44Å; G11-K13 PolarHBondContact O-N 3.12Å
12	T	29.1	Very low	42.8	Very low	145 Å²	145	110.4 Å²	110.4	89%	0.89	64%	0.64	S	S	*	*			trans	-68	74.2	170.6	-8	0	0	0	0	110.1
13	K	31.7	Very low	44.6	Very low	180 Å²	180	114.1 Å²	114.1	78%	0.783	64%	0.642	S	S	*	*			trans	-92.8	109.2	154.9	-82.2	-176.6	177.2	177	0	106.9	G11 L15	G11-K13 PolarHBondContact O-N 3.12Å; K13-L15 HydrophobicContact CB-CD1 4.29Å; K13-L15 PolarHBondContact O-N 3.09Å
14	T	33.1	Very low	46.5	Very low	117 Å²	117	109.1 Å²	109.1	72%	0.718	60%	0.604	S	S	*	*			trans	-58.4	75.1	169.1	30	0	0	0	0	110	R16	T14-R16 PolarHBondContact O-N 3.39Å
15	L	39.1	Very low	48.7	Very low	124 Å²	124	110 Å²	110	65%	0.649	61%	0.607	S	S	*	*			trans	-78.1	120.3	172.6	-116.9	97.7	0	0	0	108.6	K13 T17	K13-L15 HydrophobicContact CB-CD1 4.29Å; K13-L15 PolarHBondContact O-N 3.09Å; L15-T17 PolarHBondContact O-N 3.19Å; L15-T17 VanDerWaalsContact O-N 3.14Å
16	R	44.9	Very low	51.2	Low	208 Å²	208	109.8 Å²	109.8	79%	0.785	59%	0.592	S	S	*	*			trans	-36.6	117.3	162.2	-147.6	176.9	-170	-175.5	2.4	109	T14 T18	T14-R16 PolarHBondContact O-N 3.39Å; R16-T18 HydrophobicContact CB-CG2 4.42Å; R16-T18 PolarHBondContact O-N 3.5Å; R16-T18 PolarHBondContact O-OG1 2.74Å
17	T	51.9	Low	54.1	Low	39 Å²	39	101.7 Å²	101.7	24%	0.239	56%	0.555	C	S	.	*			trans	-67.9	66.9	-173.2	33.7	0	0	0	0	111.9	L15 G19 N691 Y700	L15-T17 PolarHBondContact O-N 3.19Å; L15-T17 VanDerWaalsContact O-N 3.14Å; T17-G19 PolarHBondContact O-N 3.22Å; T17-N691 PolarHBondContact OG1-OD1 2.84Å; T17-Y700 PolarHBondContact O-OH 2.81Å
18	T	57.7	Low	57	Low	85 Å²	85	98.6 Å²	98.6	52%	0.521	53%	0.531	S	S	.	.			trans	-82.5	33.6	-176.5	46.6	0	0	0	0	113.2	R16	R16-T18 HydrophobicContact CB-CG2 4.42Å; R16-T18 PolarHBondContact O-N 3.5Å; R16-T18 PolarHBondContact O-OG1 2.74Å
19	G	64.1	Low	60.1	Low	12 Å²	12	95.2 Å²	95.2	12%	0.124	52%	0.518	C	S	.	.	S	Bend	trans	72	-148.8	-178.1	0	0	0	0	0	114	T17 V21 F485	T17-G19 PolarHBondContact O-N 3.22Å; G19-V21 PolarHBondContact O-N 3.29Å; G19-F485 VanDerWaalsContact CA-CG 3.46Å
20	P	65.7	Low	63.1	Low	10 Å²	10	92.2 Å²	92.2	7%	0.065	51%	0.506	C	S	.	.	S	Bend	trans	-57.1	123.3	-174.5	-27.1	35.8	0	0	0	113	R22 A481 E482 R504 I576	P20-R22 PolarHBondContact O-N 2.77Å; P20-R22 VanDerWaalsContact O-N 3.09Å; P20-A481 HydrophobicContact CG-CB 3.99Å; P20-E482 HydrophobicContact CG-CB 4.03Å; P20-R504 VanDerWaalsContact CB-NH2 3.34Å; P20-R504 PolarHBondContact O-NH2 3.24Å; P20-I576 VanDerWaalsContact CA-O 3.29Å; P20-I576 WeakPolarHBondContact CA-O 3.43Å
21	V	70.3	Confident	66.3	Low	54 Å²	54	87.6 Å²	87.6	33%	0.327	48%	0.479	S	S	.	.			trans	-55.3	116.6	-176.2	-175.7	0	0	0	0	111.1	G19 N23 R24 R504 I576	G19-V21 PolarHBondContact O-N 3.29Å; V21-N23 WeakPolarHBondContact CG1-O 3.46Å; V21-R24 WeakPolarHBondContact O-CG 3.16Å; V21-R24 PolarHBondContact O-NE 2.65Å; V21-R504 PolarHBondContact O-NH2 3.21Å; V21-I576 PolarHBondContact N-O 2.88Å; V21-I576 VanDerWaalsContact N-O 3.12Å
22	R	69	Low	69.4	Low	174 Å²	174	86.2 Å²	86.2	66%	0.657	46%	0.459	S	S	*	.	S	Bend	trans	-66.9	-47.2	-173.8	-74.2	-172.5	174.8	-177.3	-0.6	112.8	P20 S492	P20-R22 PolarHBondContact O-N 2.77Å; P20-R22 VanDerWaalsContact O-N 3.09Å; R22-S492 PolarHBondContact NH2-O 3.18Å; R22-S492 PolarHBondContact NH2-OG 3.07Å
23	N	73.9	Confident	72.6	Confident	154 Å²	154	84 Å²	84	82%	0.824	44%	0.44	S	S	*	.	S	Bend	trans	-85.7	114.3	177.1	-70.9	-10.1	0	0	0	110	V21	V21-N23 WeakPolarHBondContact CG1-O 3.46Å
24	R	81.9	Confident	75.7	Confident	27 Å²	27	78.6 Å²	78.6	10%	0.102	42%	0.422	C	S	.	.			trans	-118.6	149.7	-176.7	-60	-157.1	168.9	-151.8	-4.8	112	V21 R504 Y508 H509 V574 A575 I576	V21-R24 WeakPolarHBondContact O-CG 3.16Å; V21-R24 PolarHBondContact O-NE 2.65Å; R24-R504 VanDerWaalsContact CZ-NH2 3.3Å; R24-Y508 HydrophobicContact CB-CD1 4.09Å; R24-Y508 HydrophobicContact CB-CD2 4.37Å; R24-Y508 HydrophobicContact CB-CG 3.97Å; R24-Y508 WeakPolarHBondContact O-CE1 3.35Å; R24-H509 WeakPolarHBondContact CD-NE2 3.34Å; R24-H509 PolarHBondContact NH1-NE2 3.21Å; R24-V574 PolarHBondContact NH1-O 3.41Å; R24-A575 PolarHBondContact NH1-O 3.4Å; R24-A575 PolarHBondContact NH2-O 2.84Å; R24-I576 PolarHBondContact NH2-O 3.27Å
25	T	87.5	Confident	78.8	Confident	110 Å²	110	73.8 Å²	73.8	68%	0.675	39%	0.392	S	S	*	.			trans	-108.4	156.6	169.4	52.8	0	0	0	0	109.6	T27	T25-T27 PolarHBondContact O-N 3.34Å
26	C	91	Very high	81.5	Confident	71 Å²	71	70.3 Å²	70.3	48%	0.48	38%	0.378	S	S	.	.			trans	-65.8	130.3	178	-63.2	0	0	0	0	110.8	I29 Y508	C26-I29 HydrophobicContact CB-CD1 4.14Å; C26-I29 HydrophobicContact CB-CG1 3.95Å; C26-Y508 CarbonylContact C-O 3.55Å; C26-Y508 VanDerWaalsContact CA-O 3.26Å; C26-Y508 WeakPolarHBondContact CA-O 3.45Å
27	T	91.2	Very high	84	Confident	12 Å²	12	65.3 Å²	65.3	7%	0.074	37%	0.365	C	S	.	.			trans	-102.7	144.3	-179.9	57.5	0	0	0	0	112.1	T25 I29 Y508 H509 G511 S512 G578	T25-T27 PolarHBondContact O-N 3.34Å; T27-I29 VanDerWaalsContact C-N 3.33Å; T27-I29 PolarHBondContact O-N 3.09Å; T27-Y508 PolarHBondContact N-O 2.82Å; T27-Y508 PolarHBondContact OG1-O 3.05Å; T27-H509 WeakPolarHBondContact CG2-ND1 3.34Å; T27-H509 PolarHBondContact OG1-ND1 3.29Å; T27-G511 WeakPolarHBondContact O-CA 3.48Å; T27-S512 VanDerWaalsContact CB-OG 3.3Å; T27-S512 WeakPolarHBondContact CB-OG 3.01Å; T27-S512 PolarHBondContact OG1-OG 2.67Å; T27-G578 VanDerWaalsContact CG2-O 3.25Å; T27-G578 WeakPolarHBondContact CG2-O 3.3Å
28	D	93.9	Very high	86.2	Confident	35 Å²	35	66.8 Å²	66.8	19%	0.187	37%	0.369	C	S	.	.			trans	52.4	44.6	175.3	-54.4	-60.4	0	0	0	113.7	P30 C31 C32 G511 S512 S580 F581	D28-P30 VanDerWaalsContact C-CD 3.42Å; D28-P30 VanDerWaalsContact C-N 3.34Å; D28-C31 HydrophobicContact CB-CB 4.31Å; D28-C31 WeakPolarHBondContact O-CB 3.24Å; D28-C31 PolarHBondContact O-N 3.13Å; D28-C32 PolarHBondContact O-N 3.35Å; D28-G511 WeakPolarHBondContact O-CA 3.38Å; D28-S512 WeakPolarHBondContact OD2-CA 3.49Å; D28-S512 VanDerWaalsContact OD2-CB 3.31Å; D28-S512 WeakPolarHBondContact OD2-CB 3.23Å; D28-S512 PolarHBondContact OD2-OG 3.1Å; D28-S580 WeakPolarHBondContact OD1-CB 3.35Å; D28-F581 WeakPolarHBondContact OD2-CB 3.48Å; D28-F581 PolarHBondContact OD2-N 3.31Å
29	I	94.4	Very high	88.1	Confident	94 Å²	94	64.9 Å²	64.9	48%	0.482	36%	0.357	S	S	.	.	H	α-helix	trans	-48.6	-44.2	-176.9	-59.5	171.9	0	0	0	113.3	C26 T27 C31 C32 I33	C26-I29 HydrophobicContact CB-CD1 4.14Å; C26-I29 HydrophobicContact CB-CG1 3.95Å; T27-I29 VanDerWaalsContact C-N 3.33Å; T27-I29 PolarHBondContact O-N 3.09Å; I29-C31 VanDerWaalsContact C-N 3.27Å; I29-C31 PolarHBondContact O-N 3.5Å; I29-C32 VanDerWaalsContact O-CB 3.28Å; I29-C32 WeakPolarHBondContact O-CB 3.39Å; I29-C32 PolarHBondContact O-N 3.35Å; I29-I33 HydrophobicContact CG2-CD1 4.11Å; I29-I33 HydrophobicContact CG2-CG1 4.49Å; I29-I33 PolarHBondContact O-N 3.04Å
30	P	95.8	Very high	89.6	Confident	90 Å²	90	69 Å²	69	58%	0.584	38%	0.375	S	S	*	.	H	α-helix	trans	-58.4	-38.1	177.6	-25.1	35.4	0	0	0	113.1	D28 C32 I33 V34	D28-P30 VanDerWaalsContact C-CD 3.42Å; D28-P30 VanDerWaalsContact C-N 3.34Å; P30-C32 VanDerWaalsContact C-N 3.33Å; P30-C32 PolarHBondContact O-N 3.49Å; P30-I33 PolarHBondContact O-N 3.4Å; P30-V34 WeakPolarHBondContact O-CG2 3.43Å; P30-V34 PolarHBondContact O-N 2.9Å
31	C	95.8	Very high	91.1	Very high	34 Å²	34	69.6 Å²	69.6	23%	0.23	38%	0.383	C	S	.	.	H	α-helix	trans	-69	-34.4	178	-62.2	0	0	0	0	111.5	D28 I29 F35 F515	D28-C31 HydrophobicContact CB-CB 4.31Å; D28-C31 WeakPolarHBondContact O-CB 3.24Å; D28-C31 PolarHBondContact O-N 3.13Å; I29-C31 VanDerWaalsContact C-N 3.27Å; I29-C31 PolarHBondContact O-N 3.5Å; C31-F35 VanDerWaalsContact O-CB 3.31Å; C31-F35 WeakPolarHBondContact O-CB 3.35Å; C31-F35 PolarHBondContact O-N 2.7Å; C31-F515 HydrophobicContact CB-CB 3.93Å
32	C	95.1	Very high	92.4	Very high	36 Å²	36	67.5 Å²	67.5	24%	0.243	37%	0.369	C	S	.	.	H	α-helix	trans	-63	-41.9	173.2	-168.6	0	0	0	0	111.8	D28 I29 P30 S36	D28-C32 PolarHBondContact O-N 3.35Å; I29-C32 VanDerWaalsContact O-CB 3.28Å; I29-C32 WeakPolarHBondContact O-CB 3.39Å; I29-C32 PolarHBondContact O-N 3.35Å; P30-C32 VanDerWaalsContact C-N 3.33Å; P30-C32 PolarHBondContact O-N 3.49Å; C32-S36 WeakPolarHBondContact O-CB 3.29Å; C32-S36 PolarHBondContact O-N 2.8Å; C32-S36 PolarHBondContact O-OG 3.31Å
33	I	96.7	Very high	93.7	Very high	97 Å²	97	63.8 Å²	63.8	50%	0.497	36%	0.362	S	S	.	.	H	α-helix	trans	-64.3	-49.8	177.5	-65.1	168.5	0	0	0	110.1	I29 P30 F35 S36 I37	I29-I33 HydrophobicContact CG2-CD1 4.11Å; I29-I33 HydrophobicContact CG2-CG1 4.49Å; I29-I33 PolarHBondContact O-N 3.04Å; P30-I33 PolarHBondContact O-N 3.4Å; I33-F35 VanDerWaalsContact C-N 3.32Å; I33-F35 PolarHBondContact O-N 2.72Å; I33-S36 WeakPolarHBondContact O-CB 3.3Å; I33-S36 PolarHBondContact O-N 2.96Å; I33-S36 VanDerWaalsContact O-N 3.17Å; I33-I37 HydrophobicContact CG2-CD1 3.98Å; I33-I37 WeakPolarHBondContact O-CG1 3.15Å; I33-I37 PolarHBondContact O-N 3.04Å
34	V	96.9	Very high	94.7	Very high	67 Å²	67	61.4 Å²	61.4	41%	0.406	35%	0.348	S	S	.	.	H	α-helix	trans	-58.7	-45.5	178.5	175.5	0	0	0	0	110.9	P30 S36 I37 F38 W463	P30-V34 WeakPolarHBondContact O-CG2 3.43Å; P30-V34 PolarHBondContact O-N 2.9Å; V34-S36 VanDerWaalsContact C-N 3.33Å; V34-S36 PolarHBondContact O-N 3.18Å; V34-I37 PolarHBondContact O-N 3.3Å; V34-F38 HydrophobicContact CG1-CD2 4.03Å; V34-F38 HydrophobicContact CG1-CE2 4.03Å; V34-F38 WeakPolarHBondContact O-CD2 3.41Å; V34-F38 PolarHBondContact O-N 2.73Å; V34-F38 VanDerWaalsContact O-N 3.08Å; V34-W463 HydrophobicContact CG1-CH2 4.2Å
35	F	97.4	Very high	95.3	Very high	17 Å²	17	61 Å²	61	8%	0.075	35%	0.348	C	S	.	.	H	α-helix	trans	-59	-44.8	176.8	-179.2	-111.7	0	0	0	112.2	C31 I33 I37 F38 V39 W463 L464 F467 T510 A514	C31-F35 VanDerWaalsContact O-CB 3.31Å; C31-F35 WeakPolarHBondContact O-CB 3.35Å; C31-F35 PolarHBondContact O-N 2.7Å; I33-F35 VanDerWaalsContact C-N 3.32Å; I33-F35 PolarHBondContact O-N 2.72Å; F35-I37 VanDerWaalsContact C-N 3.34Å; F35-I37 PolarHBondContact O-N 2.88Å; F35-F38 PolarHBondContact O-N 3Å; F35-V39 HydrophobicContact CD1-CG2 4.29Å; F35-V39 HydrophobicContact CD2-CG2 4.37Å; F35-V39 HydrophobicContact CE1-CG2 3.94Å; F35-V39 HydrophobicContact CE2-CG2 4.04Å; F35-V39 HydrophobicContact CZ-CG2 3.81Å; F35-V39 WeakPolarHBondContact O-CG2 3.48Å; F35-V39 PolarHBondContact O-N 3.12Å; F35-W463 HydrophobicContact CB-CZ2 4.17Å; F35-W463 HydrophobicContact CD2-CD2 4.09Å; F35-W463 AromaticContact CD2-CE2 3.57Å; F35-W463 HydrophobicContact CD2-CH2 4.34Å; F35-W463 AromaticContact CD2-CZ2 3.71Å; F35-W463 HydrophobicContact CD2-CZ2 3.71Å; F35-W463 AromaticContact CD2-NE1 3.75Å; F35-W463 HydrophobicContact CE2-CD2 4.36Å; F35-W463 HydrophobicContact CE2-CG 4.41Å; F35-W463 AromaticContact CE2-NE1 4Å; F35-W463 HydrophobicContact CG-CZ2 4.44Å; F35-L464 HydrophobicContact CE2-CD2 4.16Å; F35-L464 HydrophobicContact CZ-CD2 4Å; F35-F467 HydrophobicContact CD1-CE2 4.23Å; F35-F467 AromaticContact CE1-CD2 3.97Å; F35-F467 HydrophobicContact CE1-CD2 3.97Å; F35-F467 HydrophobicContact CE1-CE1 4.29Å; F35-F467 AromaticContact CE1-CE2 3.72Å; F35-F467 HydrophobicContact CE1-CE2 3.72Å; F35-F467 HydrophobicContact CE1-CG 4.37Å; F35-F467 AromaticContact CE1-CZ 3.9Å; F35-F467 HydrophobicContact CE1-CZ 3.9Å; F35-F467 HydrophobicContact CE2-CB 4.45Å; F35-F467 AromaticContact CE2-CD2 3.97Å; F35-F467 HydrophobicContact CE2-CD2 3.97Å; F35-F467 HydrophobicContact CE2-CE2 4.5Å; F35-F467 HydrophobicContact CE2-CG 4.22Å; F35-F467 HydrophobicContact CZ-CB 4.31Å; F35-F467 HydrophobicContact CZ-CD1 4.06Å; F35-F467 AromaticContact CZ-CD2 3.61Å; F35-F467 HydrophobicContact CZ-CD2 3.61Å; F35-F467 HydrophobicContact CZ-CE1 4.3Å; F35-F467 AromaticContact CZ-CE2 3.87Å; F35-F467 HydrophobicContact CZ-CE2 3.87Å; F35-F467 AromaticContact CZ-CG 3.72Å; F35-F467 HydrophobicContact CZ-CG 3.72Å; F35-F467 HydrophobicContact CZ-CZ 4.21Å; F35-T510 HydrophobicContact CD1-CG2 4.45Å; F35-A514 HydrophobicContact CB-CB 3.64Å; F35-A514 HydrophobicContact CD1-CB 4.29Å; F35-A514 HydrophobicContact CD2-CB 4.16Å; F35-A514 HydrophobicContact CG-CB 3.78Å
36	S	96.5	Very high	95.7	Very high	51 Å²	51	56.3 Å²	56.3	36%	0.357	32%	0.32	S	S	.	.	H	α-helix	trans	-61.1	-42	178.5	-56	0	0	0	0	111.8	C32 I33 V34 F38 V39 I40	C32-S36 WeakPolarHBondContact O-CB 3.29Å; C32-S36 PolarHBondContact O-N 2.8Å; C32-S36 PolarHBondContact O-OG 3.31Å; I33-S36 WeakPolarHBondContact O-CB 3.3Å; I33-S36 PolarHBondContact O-N 2.96Å; I33-S36 VanDerWaalsContact O-N 3.17Å; V34-S36 VanDerWaalsContact C-N 3.33Å; V34-S36 PolarHBondContact O-N 3.18Å; S36-F38 PolarHBondContact O-N 3.09Å; S36-V39 PolarHBondContact O-N 3.3Å; S36-I40 VanDerWaalsContact O-CG1 3.25Å; S36-I40 WeakPolarHBondContact O-CG1 3.24Å; S36-I40 PolarHBondContact O-N 2.88Å
37	I	97.7	Very high	95.9	Very high	102 Å²	102	58.8 Å²	58.8	52%	0.523	33%	0.328	S	S	.	.	H	α-helix	trans	-60.4	-45.3	175.9	-67.9	166.9	0	0	0	111.1	I33 V34 F35 I40 G41	I33-I37 HydrophobicContact CG2-CD1 3.98Å; I33-I37 WeakPolarHBondContact O-CG1 3.15Å; I33-I37 PolarHBondContact O-N 3.04Å; V34-I37 PolarHBondContact O-N 3.3Å; F35-I37 VanDerWaalsContact C-N 3.34Å; F35-I37 PolarHBondContact O-N 2.88Å; I37-I40 PolarHBondContact O-N 3.48Å; I37-G41 PolarHBondContact O-N 2.82Å
38	F	97.7	Very high	95.9	Very high	70 Å²	70	64.4 Å²	64.4	31%	0.307	35%	0.348	S	S	.	.	H	α-helix	trans	-66.7	-38.5	179.1	-89.9	-106.4	0	0	0	112.6	V34 F35 S36 G41 F42 F456 F459 M460 W463	V34-F38 HydrophobicContact CG1-CD2 4.03Å; V34-F38 HydrophobicContact CG1-CE2 4.03Å; V34-F38 WeakPolarHBondContact O-CD2 3.41Å; V34-F38 PolarHBondContact O-N 2.73Å; V34-F38 VanDerWaalsContact O-N 3.08Å; F35-F38 PolarHBondContact O-N 3Å; S36-F38 PolarHBondContact O-N 3.09Å; F38-G41 PolarHBondContact O-N 3.14Å; F38-F42 WeakPolarHBondContact O-CB 3.47Å; F38-F42 PolarHBondContact O-N 3.02Å; F38-F456 AromaticContact CD1-CE2 3.71Å; F38-F456 HydrophobicContact CD1-CE2 3.71Å; F38-F456 HydrophobicContact CE1-CE2 4.04Å; F38-F459 HydrophobicContact CD1-CD1 4.45Å; F38-F459 HydrophobicContact CD1-CE1 4.1Å; F38-F459 HydrophobicContact CE1-CD1 4.3Å; F38-F459 AromaticContact CE1-CE1 3.91Å; F38-F459 HydrophobicContact CE1-CE1 3.91Å; F38-M460 HydrophobicContact CB-CE 4.29Å; F38-M460 HydrophobicContact CB-SD 3.96Å; F38-M460 HydrophobicContact CD1-SD 3.91Å; F38-M460 HydrophobicContact CG-SD 4.44Å; F38-W463 HydrophobicContact CB-CE3 4.33Å; F38-W463 HydrophobicContact CB-CH2 4.45Å; F38-W463 HydrophobicContact CB-CZ3 3.75Å; F38-W463 HydrophobicContact CD1-CE3 4.2Å; F38-W463 AromaticContact CD1-CZ3 3.64Å; F38-W463 HydrophobicContact CD1-CZ3 3.64Å; F38-W463 HydrophobicContact CD2-CH2 4.37Å; F38-W463 AromaticContact CD2-CZ3 3.96Å; F38-W463 HydrophobicContact CD2-CZ3 3.96Å; F38-W463 HydrophobicContact CE1-CZ3 4.19Å; F38-W463 HydrophobicContact CE2-CZ3 4.46Å; F38-W463 HydrophobicContact CG-CE3 4.33Å; F38-W463 HydrophobicContact CG-CH2 4.29Å; F38-W463 AromaticContact CG-CZ3 3.51Å; F38-W463 HydrophobicContact CG-CZ3 3.51Å
39	V	97	Very high	95.8	Very high	45 Å²	45	62.8 Å²	62.8	27%	0.273	34%	0.339	S	S	.	.	H	α-helix	trans	-63.5	-44.4	173.9	171.9	0	0	0	0	110.8	F35 S36 G41 F42 L43 M460 L464	F35-V39 HydrophobicContact CD1-CG2 4.29Å; F35-V39 HydrophobicContact CD2-CG2 4.37Å; F35-V39 HydrophobicContact CE1-CG2 3.94Å; F35-V39 HydrophobicContact CE2-CG2 4.04Å; F35-V39 HydrophobicContact CZ-CG2 3.81Å; F35-V39 WeakPolarHBondContact O-CG2 3.48Å; F35-V39 PolarHBondContact O-N 3.12Å; S36-V39 PolarHBondContact O-N 3.3Å; V39-G41 PolarHBondContact O-N 3.35Å; V39-F42 WeakPolarHBondContact O-CB 3.34Å; V39-F42 PolarHBondContact O-N 3.47Å; V39-L43 WeakPolarHBondContact O-CG 3.29Å; V39-L43 PolarHBondContact O-N 3.22Å; V39-M460 HydrophobicContact CG2-CE 4.35Å; V39-L464 HydrophobicContact CG2-CD2 4.22Å
40	I	97.2	Very high	95.7	Very high	99 Å²	99	65 Å²	65	51%	0.508	35%	0.345	S	S	.	.	H	α-helix	trans	-61.7	-44.9	175	-67.8	164.3	0	0	0	110.6	S36 I37 F42 L43 I44	S36-I40 VanDerWaalsContact O-CG1 3.25Å; S36-I40 WeakPolarHBondContact O-CG1 3.24Å; S36-I40 PolarHBondContact O-N 2.88Å; I37-I40 PolarHBondContact O-N 3.48Å; I40-F42 VanDerWaalsContact C-N 3.28Å; I40-F42 PolarHBondContact O-N 2.74Å; I40-L43 WeakPolarHBondContact O-CB 3.35Å; I40-L43 PolarHBondContact O-N 2.88Å; I40-L43 VanDerWaalsContact O-N 3.16Å; I40-I44 HydrophobicContact CG2-CD1 4.05Å; I40-I44 WeakPolarHBondContact O-CG1 3.33Å; I40-I44 PolarHBondContact O-N 2.78Å
41	G	96.4	Very high	95.4	Very high	22 Å²	22	64.7 Å²	64.7	23%	0.227	35%	0.35	C	S	.	.	H	α-helix	trans	-58.4	-39.6	174.6	0	0	0	0	0	112.7	I37 F38 V39 I44 V45	I37-G41 PolarHBondContact O-N 2.82Å; F38-G41 PolarHBondContact O-N 3.14Å; V39-G41 PolarHBondContact O-N 3.35Å; G41-I44 PolarHBondContact O-N 2.95Å; G41-V45 WeakPolarHBondContact O-CG2 3.42Å; G41-V45 PolarHBondContact O-N 3.11Å
42	F	97.1	Very high	95	Very high	11 Å²	11	67.9 Å²	67.9	5%	0.048	36%	0.363	C	S	.	.	H	α-helix	trans	-64.6	-40.6	174.9	-174.4	-115.8	0	0	0	112.8	F38 V39 I40 V45 T46 Q380 V381 V384 F456 N457 M460 L464	F38-F42 WeakPolarHBondContact O-CB 3.47Å; F38-F42 PolarHBondContact O-N 3.02Å; V39-F42 WeakPolarHBondContact O-CB 3.34Å; V39-F42 PolarHBondContact O-N 3.47Å; I40-F42 VanDerWaalsContact C-N 3.28Å; I40-F42 PolarHBondContact O-N 2.74Å; F42-V45 PolarHBondContact O-N 2.95Å; F42-T46 WeakPolarHBondContact O-CB 3.12Å; F42-T46 PolarHBondContact O-N 2.85Å; F42-T46 PolarHBondContact O-OG1 3.32Å; F42-Q380 HydrophobicContact CE1-CB 4.31Å; F42-Q380 HydrophobicContact CZ-CB 4.44Å; F42-V381 HydrophobicContact CZ-CG2 4.17Å; F42-V384 HydrophobicContact CE2-CG2 4.29Å; F42-V384 HydrophobicContact CZ-CG2 4.25Å; F42-F456 HydrophobicContact CB-CE1 4.2Å; F42-F456 HydrophobicContact CB-CZ 4.3Å; F42-F456 HydrophobicContact CD2-CE1 4.18Å; F42-N457 VanDerWaalsContact CE2-OD1 3.29Å; F42-N457 WeakPolarHBondContact CE2-OD1 3.26Å; F42-M460 HydrophobicContact CB-CE 4.04Å; F42-M460 HydrophobicContact CB-CG 4.13Å; F42-M460 HydrophobicContact CD2-CB 3.83Å; F42-M460 HydrophobicContact CD2-CG 3.87Å; F42-M460 HydrophobicContact CE2-CB 4.16Å; F42-M460 HydrophobicContact CG-CB 4.23Å; F42-M460 HydrophobicContact CG-CE 4.41Å; F42-M460 HydrophobicContact CG-CG 4.14Å; F42-L464 HydrophobicContact CD1-CD1 4.2Å; F42-L464 HydrophobicContact CE1-CD1 4.18Å
43	L	96	Very high	94.5	Very high	96 Å²	96	67.2 Å²	67.2	50%	0.503	36%	0.362	S	S	.	.	H	α-helix	trans	-63.2	-41.5	173.2	-67.1	174	0	0	0	111.8	V39 I40 T46 L47	V39-L43 WeakPolarHBondContact O-CG 3.29Å; V39-L43 PolarHBondContact O-N 3.22Å; I40-L43 WeakPolarHBondContact O-CB 3.35Å; I40-L43 PolarHBondContact O-N 2.88Å; I40-L43 VanDerWaalsContact O-N 3.16Å; L43-T46 WeakPolarHBondContact O-CB 3.29Å; L43-T46 PolarHBondContact O-N 3.31Å; L43-L47 WeakPolarHBondContact O-CG 3.4Å; L43-L47 PolarHBondContact O-N 3.18Å
44	I	96.1	Very high	93.9	Very high	104 Å²	104	64.2 Å²	64.2	53%	0.533	35%	0.347	S	S	.	.	H	α-helix	trans	-61.4	-47.7	175.9	-66.9	166.8	0	0	0	110.7	I40 G41 T46 L47 W48	I40-I44 HydrophobicContact CG2-CD1 4.05Å; I40-I44 WeakPolarHBondContact O-CG1 3.33Å; I40-I44 PolarHBondContact O-N 2.78Å; G41-I44 PolarHBondContact O-N 2.95Å; I44-T46 VanDerWaalsContact C-N 3.27Å; I44-T46 PolarHBondContact O-N 3.48Å; I44-L47 PolarHBondContact O-N 2.97Å; I44-W48 VanDerWaalsContact O-CB 3.29Å; I44-W48 WeakPolarHBondContact O-CB 3.4Å; I44-W48 PolarHBondContact O-N 3.13Å
45	V	95.3	Very high	93	Very high	17 Å²	17	65.7 Å²	65.7	10%	0.103	35%	0.348	C	S	.	.	H	α-helix	trans	-61.3	-38.5	176.7	172.2	0	0	0	0	111	G41 F42 W48 S49 V384 L453 F456	G41-V45 WeakPolarHBondContact O-CG2 3.42Å; G41-V45 PolarHBondContact O-N 3.11Å; F42-V45 PolarHBondContact O-N 2.95Å; V45-W48 PolarHBondContact O-N 3.08Å; V45-S49 WeakPolarHBondContact O-CB 3.26Å; V45-S49 PolarHBondContact O-N 3.18Å; V45-S49 PolarHBondContact O-OG 3.17Å; V45-V384 HydrophobicContact CG1-CG1 4.06Å; V45-L453 HydrophobicContact CG2-CD2 4.01Å; V45-F456 HydrophobicContact CB-CE1 4.48Å; V45-F456 HydrophobicContact CG2-CD1 4.11Å; V45-F456 HydrophobicContact CG2-CE1 3.98Å
46	T	94.7	Very high	92	Very high	13 Å²	13	69.9 Å²	69.9	8%	0.08	37%	0.366	C	S	.	.	H	α-helix	trans	-60.3	-53.8	176.8	-58.1	0	0	0	0	110.9	F42 L43 I44 W48 S49 F50 F383 V384	F42-T46 WeakPolarHBondContact O-CB 3.12Å; F42-T46 PolarHBondContact O-N 2.85Å; F42-T46 PolarHBondContact O-OG1 3.32Å; L43-T46 WeakPolarHBondContact O-CB 3.29Å; L43-T46 PolarHBondContact O-N 3.31Å; I44-T46 VanDerWaalsContact C-N 3.27Å; I44-T46 PolarHBondContact O-N 3.48Å; T46-W48 PolarHBondContact O-N 2.95Å; T46-S49 PolarHBondContact O-N 2.98Å; T46-S49 PolarHBondContact O-OG 3Å; T46-F50 PolarHBondContact O-N 2.83Å; T46-F383 HydrophobicContact CG2-CD1 4.2Å; T46-F383 HydrophobicContact CG2-CE1 4.01Å; T46-V384 HydrophobicContact CG2-CG2 4.01Å; T46-V384 WeakPolarHBondContact OG1-CG2 3.3Å
47	L	94.7	Very high	91.1	Very high	123 Å²	123	71.1 Å²	71.1	64%	0.644	36%	0.363	S	S	*	.	H	α-helix	trans	-61.4	-43.2	178.6	-67.8	173.1	0	0	0	112	L43 I44 F50 A51	L43-L47 WeakPolarHBondContact O-CG 3.4Å; L43-L47 PolarHBondContact O-N 3.18Å; I44-L47 PolarHBondContact O-N 2.97Å; L47-F50 PolarHBondContact O-N 3.05Å; L47-A51 WeakPolarHBondContact O-CB 3.14Å; L47-A51 PolarHBondContact O-N 3.39Å
48	W	92.8	Very high	90	Very high	130 Å²	130	70.3 Å²	70.3	49%	0.492	36%	0.363	S	S	.	.	H	α-helix	trans	-62.8	-45.6	177.3	-175.5	-89	0	0	0	112.2	I44 V45 T46 F50 A51 M52	I44-W48 VanDerWaalsContact O-CB 3.29Å; I44-W48 WeakPolarHBondContact O-CB 3.4Å; I44-W48 PolarHBondContact O-N 3.13Å; V45-W48 PolarHBondContact O-N 3.08Å; T46-W48 PolarHBondContact O-N 2.95Å; W48-F50 VanDerWaalsContact C-N 3.28Å; W48-F50 PolarHBondContact O-N 3.16Å; W48-A51 PolarHBondContact O-N 3.11Å; W48-M52 HydrophobicContact CD2-CG 4.36Å; W48-M52 HydrophobicContact CH2-CE 3.65Å; W48-M52 HydrophobicContact CZ2-CE 3.52Å; W48-M52 HydrophobicContact CZ2-CG 4.24Å; W48-M52 HydrophobicContact CZ3-CE 4.33Å; W48-M52 WeakPolarHBondContact O-CB 3.31Å; W48-M52 PolarHBondContact O-N 2.94Å
49	S	91.8	Very high	89	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-64.3	-34.5	179.6	73.2	0	0	0	0	112.2	V45 T46 G53	V45-S49 WeakPolarHBondContact O-CB 3.26Å; V45-S49 PolarHBondContact O-N 3.18Å; V45-S49 PolarHBondContact O-OG 3.17Å; T46-S49 PolarHBondContact O-N 2.98Å; T46-S49 PolarHBondContact O-OG 3Å; S49-G53 VanDerWaalsContact O-CA 3.28Å; S49-G53 WeakPolarHBondContact O-CA 3.41Å; S49-G53 PolarHBondContact O-N 3.28Å
50	F	90.3	Very high	88.2	Confident	141 Å²	141	73.3 Å²	73.3	62%	0.618	38%	0.377	S	S	*	.	H	α-helix	trans	-69.8	-43.5	174.1	177.6	-112.2	0	0	0	112.2	T46 L47 W48 F383	T46-F50 PolarHBondContact O-N 2.83Å; L47-F50 PolarHBondContact O-N 3.05Å; W48-F50 VanDerWaalsContact C-N 3.28Å; W48-F50 PolarHBondContact O-N 3.16Å; F50-F383 HydrophobicContact CB-CE1 4.23Å; F50-F383 HydrophobicContact CB-CZ 3.93Å; F50-F383 HydrophobicContact CD2-CE2 4.21Å; F50-F383 AromaticContact CD2-CZ 3.57Å; F50-F383 HydrophobicContact CD2-CZ 3.57Å; F50-F383 HydrophobicContact CE2-CZ 4.45Å; F50-F383 HydrophobicContact CG-CZ 4.08Å
51	A	91.3	Very high	87.5	Confident	83 Å²	83	68.7 Å²	68.7	69%	0.686	35%	0.353	S	S	*	.	H	α-helix	trans	-68.8	-38.1	-178.3	0	0	0	0	0	113	L47 W48	L47-A51 WeakPolarHBondContact O-CB 3.14Å; L47-A51 PolarHBondContact O-N 3.39Å; W48-A51 PolarHBondContact O-N 3.11Å
52	M	87.5	Confident	86.8	Confident	102 Å²	102	68.4 Å²	68.4	50%	0.502	35%	0.347	S	S	.	.	H	α-helix	trans	-91.6	-23.3	-178.1	-70.2	-77.5	179.2	0	0	113.3	W48 I391	W48-M52 HydrophobicContact CD2-CG 4.36Å; W48-M52 HydrophobicContact CH2-CE 3.65Å; W48-M52 HydrophobicContact CZ2-CE 3.52Å; W48-M52 HydrophobicContact CZ2-CG 4.24Å; W48-M52 HydrophobicContact CZ3-CE 4.33Å; W48-M52 WeakPolarHBondContact O-CB 3.31Å; W48-M52 PolarHBondContact O-N 2.94Å; M52-I391 HydrophobicContact CB-CD1 3.68Å; M52-I391 HydrophobicContact CB-CG1 4.02Å
53	G	84.6	Confident	86.4	Confident	21 Å²	21	68.2 Å²	68.2	22%	0.216	35%	0.347	C	S	.	.			trans	-75.1	148.4	-178.3	0	0	0	0	0	112.5	S49 T390	S49-G53 VanDerWaalsContact O-CA 3.28Å; S49-G53 WeakPolarHBondContact O-CA 3.41Å; S49-G53 PolarHBondContact O-N 3.28Å; G53-T390 WeakPolarHBondContact CA-OG1 3.43Å
54	D	82.7	Confident	85.6	Confident	34 Å²	34	64 Å²	64	18%	0.182	33%	0.325	C	S	.	.			trans	-118.5	88.2	172.9	-170	-10.3	0	0	0	110.3	K56 R57 R71 T390	D54-K56 PolarHBondContact O-N 3.37Å; D54-K56 VanDerWaalsContact O-N 3.1Å; D54-K56 WeakPolarHBondContact OD1-CB 3.49Å; D54-K56 PolarHBondContact OD1-N 3.45Å; D54-R57 HydrophobicContact CB-CG 4.08Å; D54-R57 WeakPolarHBondContact O-CB 3.29Å; D54-R57 PolarHBondContact O-N 2.86Å; D54-R57 VanDerWaalsContact O-N 3.08Å; D54-R57 IonicContact OD2-NE 3.09Å; D54-R71 VanDerWaalsContact CG-NH1 3.27Å; D54-R71 IonicContact OD1-NH1 2.82Å; D54-R71 PolarHBondContact OD1-NH1 3Å; D54-R71 VanDerWaalsContact OD1-NH1 3.15Å; D54-R71 IonicContact OD2-CZ 2.78Å; D54-R71 IonicContact OD2-NH1 2.73Å; D54-R71 PolarHBondContact OD2-NH1 3.28Å; D54-T390 PolarHBondContact N-OG1 2.93Å; D54-T390 WeakPolarHBondContact O-CB 3.41Å
55	F	78.7	Confident	84.7	Confident	99 Å²	99	64.4 Å²	64.4	43%	0.434	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-24.7	-178.3	-163.1	-98.1	0	0	0	112.8	R57 V58 I59 I386	F55-R57 PolarHBondContact O-N 2.81Å; F55-V58 WeakPolarHBondContact O-CB 3.48Å; F55-V58 PolarHBondContact O-N 3.45Å; F55-I59 HydrophobicContact CD1-CD1 3.77Å; F55-I59 HydrophobicContact CD1-CG1 4.15Å; F55-I59 HydrophobicContact CE1-CD1 3.71Å; F55-I59 HydrophobicContact CE1-CG1 4Å; F55-I386 HydrophobicContact CD2-CG2 3.99Å; F55-I386 HydrophobicContact CE2-CG2 3.63Å
56	K	76.7	Confident	83.8	Confident	105 Å²	105	64.2 Å²	64.2	46%	0.457	33%	0.327	S	S	.	.	H	α-helix	trans	-65.7	-25.5	179.2	-66.2	-174.1	176.6	-175.8	0	112.3	D54 V58 I59 H60	D54-K56 PolarHBondContact O-N 3.37Å; D54-K56 VanDerWaalsContact O-N 3.1Å; D54-K56 WeakPolarHBondContact OD1-CB 3.49Å; D54-K56 PolarHBondContact OD1-N 3.45Å; K56-V58 PolarHBondContact O-N 3.41Å; K56-I59 PolarHBondContact O-N 2.88Å; K56-H60 WeakPolarHBondContact O-CB 3.39Å; K56-H60 PolarHBondContact O-N 2.98Å
57	R	76.5	Confident	83.3	Confident	76 Å²	76	66.9 Å²	66.9	29%	0.287	34%	0.338	S	S	.	.	H	α-helix	trans	-66.2	-21	174.4	-64.7	-179.5	-179.6	-176.5	-5.3	113.4	D54 F55 V68 A392 Y444	D54-R57 HydrophobicContact CB-CG 4.08Å; D54-R57 WeakPolarHBondContact O-CB 3.29Å; D54-R57 PolarHBondContact O-N 2.86Å; D54-R57 VanDerWaalsContact O-N 3.08Å; D54-R57 IonicContact OD2-NE 3.09Å; F55-R57 PolarHBondContact O-N 2.81Å; R57-V68 HydrophobicContact CG-CG2 4.14Å; R57-A392 PolarHBondContact NH1-O 3.29Å; R57-Y444 HydrophobicContact CG-CE2 4.48Å
58	V	74.3	Confident	82.9	Confident	86 Å²	86	61 Å²	61	52%	0.521	31%	0.307	S	S	.	.	H	α-helix	trans	-81.2	-38	177.2	179	0	0	0	0	110.7	F55 K56 I386 T390	F55-V58 WeakPolarHBondContact O-CB 3.48Å; F55-V58 PolarHBondContact O-N 3.45Å; K56-V58 PolarHBondContact O-N 3.41Å; V58-I386 HydrophobicContact CG2-CG2 3.94Å; V58-T390 HydrophobicContact CG2-CG2 3.4Å
59	I	76.5	Confident	82.7	Confident	101 Å²	101	54.8 Å²	54.8	52%	0.518	28%	0.284	S	S	.	.	H	α-helix	trans	-83.8	-42.5	-175.3	-53.2	177.1	0	0	0	111.2	F55 K56	F55-I59 HydrophobicContact CD1-CD1 3.77Å; F55-I59 HydrophobicContact CD1-CG1 4.15Å; F55-I59 HydrophobicContact CE1-CD1 3.71Å; F55-I59 HydrophobicContact CE1-CG1 4Å; K56-I59 PolarHBondContact O-N 2.88Å
60	H	81.4	Confident	82.5	Confident	76 Å²	76	56.6 Å²	56.6	35%	0.352	30%	0.302	S	S	.	.	S	Bend	trans	-104.3	145.4	-171.7	-65.1	-75.8	0	0	0	112.4	K56 V68	K56-H60 WeakPolarHBondContact O-CB 3.39Å; K56-H60 PolarHBondContact O-N 2.98Å; H60-V68 HydrophobicContact CB-CG1 3.46Å; H60-V68 VanDerWaalsContact CB-CG1 3.46Å
61	P	82.2	Confident	82.2	Confident	2 Å²	2	55.2 Å²	55.2	1%	0.013	29%	0.293	C	S	.	.			trans	-74.2	157.6	176	32.2	-34.6	0	0	0	111.9	C69 L79 G172 R173	P61-C69 HydrophobicContact CG-CB 4.23Å; P61-C69 PolarHBondContact O-N 3.07Å; P61-L79 HydrophobicContact CB-CB 3.71Å; P61-L79 HydrophobicContact CB-CD2 3.91Å; P61-L79 HydrophobicContact CB-CG 4.32Å; P61-L79 HydrophobicContact CG-CB 3.78Å; P61-G172 WeakPolarHBondContact CG-O 3.24Å; P61-R173 HydrophobicContact CB-CG 4.2Å
62	T	82.7	Confident	82	Confident	16 Å²	16	55 Å²	55	10%	0.098	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-117.5	138.3	-177.9	-50.1	0	0	0	0	110.1	G66 Q67 L79 Q103 F441 Y444	T62-G66 VanDerWaalsContact CG2-CA 3.45Å; T62-Q67 CarbonylContact C-O 3.55Å; T62-Q67 WeakPolarHBondContact CA-O 3.23Å; T62-Q67 WeakPolarHBondContact CG2-O 3.33Å; T62-L79 WeakPolarHBondContact O-CD1 3.48Å; T62-Q103 PolarHBondContact O-NE2 3.21Å; T62-F441 HydrophobicContact CG2-CD1 4.34Å; T62-F441 HydrophobicContact CG2-CE1 3.87Å; T62-F441 HydrophobicContact CG2-CZ 4.19Å; T62-Y444 HydrophobicContact CG2-CE2 4Å
63	N	86.7	Confident	82	Confident	7 Å²	7	51.3 Å²	51.3	4%	0.037	26%	0.263	C	S	.	.			trans	-79.6	178.8	177.8	73.1	8.3	0	0	0	113.2	Q65 G66 Q67 L79 Q103 F441	N63-Q65 PolarHBondContact O-N 2.92Å; N63-Q65 VanDerWaalsContact O-N 3.09Å; N63-Q65 WeakPolarHBondContact OD1-CA 3.29Å; N63-Q65 WeakPolarHBondContact OD1-CB 3.35Å; N63-Q65 PolarHBondContact OD1-N 3.43Å; N63-G66 PolarHBondContact O-N 3.13Å; N63-G66 PolarHBondContact OD1-N 2.69Å; N63-Q67 PolarHBondContact N-O 2.68Å; N63-Q67 PolarHBondContact ND2-OE1 3.27Å; N63-Q67 WeakPolarHBondContact OD1-CB 3.46Å; N63-Q67 PolarHBondContact OD1-N 3.36Å; N63-Q67 PolarHBondContact OD1-O 2.69Å; N63-L79 HydrophobicContact CB-CD1 4.13Å; N63-Q103 WeakPolarHBondContact CB-O 3.24Å; N63-F441 VanDerWaalsContact O-CD1 3.3Å; N63-F441 WeakPolarHBondContact O-CD1 3.04Å
64	S	79.5	Confident	82.1	Confident	7 Å²	7	55.1 Å²	55.1	5%	0.049	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-3.3	177.3	-82.9	0	0	0	0	114.5	Q103 R440 F441	S64-Q103 WeakPolarHBondContact CB-O 3.39Å; S64-Q103 PolarHBondContact N-O 3.41Å; S64-Q103 WeakPolarHBondContact OG-CG 3.29Å; S64-Q103 PolarHBondContact OG-N 2.75Å; S64-R440 PolarHBondContact OG-NE 2.98Å; S64-F441 VanDerWaalsContact O-CB 3.27Å; S64-F441 WeakPolarHBondContact O-CB 3.38Å; S64-F441 PolarHBondContact O-N 3.04Å
65	Q	77.8	Confident	82.4	Confident	113 Å²	113	56.5 Å²	56.5	53%	0.528	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	3.9	174	-64.4	-179.7	-15.6	0	0	112	N63 Q67	N63-Q65 PolarHBondContact O-N 2.92Å; N63-Q65 VanDerWaalsContact O-N 3.09Å; N63-Q65 WeakPolarHBondContact OD1-CA 3.29Å; N63-Q65 WeakPolarHBondContact OD1-CB 3.35Å; N63-Q65 PolarHBondContact OD1-N 3.43Å; Q65-Q67 VanDerWaalsContact C-N 3.29Å; Q65-Q67 HydrophobicContact CB-CG 4.19Å
66	G	77.1	Confident	83.1	Confident	14 Å²	14	53.8 Å²	53.8	14%	0.144	30%	0.297	C	S	.	.	S	Bend	trans	76.3	16.3	-177.5	0	0	0	0	0	113.7	T62 N63 Y444	T62-G66 VanDerWaalsContact CG2-CA 3.45Å; N63-G66 PolarHBondContact O-N 3.13Å; N63-G66 PolarHBondContact OD1-N 2.69Å; G66-Y444 PolarHBondContact O-OH 3.39Å
67	Q	83.8	Confident	83.8	Confident	68 Å²	68	51.1 Å²	51.1	32%	0.318	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-95.3	136.3	178.7	-58	174.2	-48	0	0	110.6	T62 N63 Q65 D72 V73	T62-Q67 CarbonylContact C-O 3.55Å; T62-Q67 WeakPolarHBondContact CA-O 3.23Å; T62-Q67 WeakPolarHBondContact CG2-O 3.33Å; N63-Q67 PolarHBondContact N-O 2.68Å; N63-Q67 PolarHBondContact ND2-OE1 3.27Å; N63-Q67 WeakPolarHBondContact OD1-CB 3.46Å; N63-Q67 PolarHBondContact OD1-N 3.36Å; N63-Q67 PolarHBondContact OD1-O 2.69Å; Q65-Q67 VanDerWaalsContact C-N 3.29Å; Q65-Q67 HydrophobicContact CB-CG 4.19Å; Q67-D72 HydrophobicContact CB-CB 3.83Å; Q67-D72 HydrophobicContact CG-CB 4.42Å; Q67-V73 HydrophobicContact CB-CG2 3.87Å
68	V	86.1	Confident	84.5	Confident	0 Å²	0	51 Å²	51	0%	0	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-77.7	122.9	178.5	-177.1	0	0	0	0	110.3	R57 H60 G70 R71 D72 V73	R57-V68 HydrophobicContact CG-CG2 4.14Å; H60-V68 HydrophobicContact CB-CG1 3.46Å; H60-V68 VanDerWaalsContact CB-CG1 3.46Å; V68-G70 PolarHBondContact O-N 3.24Å; V68-R71 HydrophobicContact CB-CB 4.42Å; V68-R71 HydrophobicContact CG1-CB 4.39Å; V68-R71 PolarHBondContact O-N 3Å; V68-D72 PolarHBondContact N-OD2 3.24Å; V68-D72 PolarHBondContact O-N 3.39Å; V68-V73 PolarHBondContact O-N 2.94Å
69	C	88.9	Confident	85.3	Confident	0 Å²	0	47 Å²	47	0%	0	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-63.3	132.6	179.1	-60.8	0	0	0	0	111.1	P61 R71 K76 P77 C105	P61-C69 HydrophobicContact CG-CB 4.23Å; P61-C69 PolarHBondContact O-N 3.07Å; C69-R71 VanDerWaalsContact C-N 3.3Å; C69-R71 PolarHBondContact O-N 3.12Å; C69-K76 CarbonylContact C-O 3.3Å; C69-K76 WeakPolarHBondContact CB-O 3.46Å; C69-P77 WeakPolarHBondContact CB-O 3.3Å; C69-C105 WeakPolarHBondContact CA-SG 3.39Å; C69-C105 HydrophobicContact CB-CB 3.81Å; C69-C105 WeakPolarHBondContact CB-SG 3.46Å; C69-C105 WeakPolarHBondContact SG-CB 3.43Å; C69-C105 CovalentContact SG-SG 2.04Å; C69-C105 PolarHBondContact SG-SG 2.87Å
70	G	86.7	Confident	86	Confident	37 Å²	37	42.2 Å²	42.2	38%	0.381	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.3	-17.4	-178.6	0	0	0	0	0	115.6	V68 V73 K76	V68-G70 PolarHBondContact O-N 3.24Å; G70-V73 WeakPolarHBondContact CA-O 3.26Å; G70-V73 PolarHBondContact N-O 3.06Å; G70-V73 VanDerWaalsContact N-O 3.14Å; G70-K76 PolarHBondContact N-O 3.38Å
71	R	84.8	Confident	86.3	Confident	112 Å²	112	38.7 Å²	38.7	42%	0.423	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-67.3	174.5	179.9	-163.3	179.2	179.5	-5.1	111.1	D54 V68 C69 V73	D54-R71 VanDerWaalsContact CG-NH1 3.27Å; D54-R71 IonicContact OD1-NH1 2.82Å; D54-R71 PolarHBondContact OD1-NH1 3Å; D54-R71 VanDerWaalsContact OD1-NH1 3.15Å; D54-R71 IonicContact OD2-CZ 2.78Å; D54-R71 IonicContact OD2-NH1 2.73Å; D54-R71 PolarHBondContact OD2-NH1 3.28Å; V68-R71 HydrophobicContact CB-CB 4.42Å; V68-R71 HydrophobicContact CG1-CB 4.39Å; V68-R71 PolarHBondContact O-N 3Å; C69-R71 VanDerWaalsContact C-N 3.3Å; C69-R71 PolarHBondContact O-N 3.12Å; R71-V73 VanDerWaalsContact C-N 3.34Å
72	D	86.6	Confident	86.5	Confident	80 Å²	80	38.8 Å²	38.8	43%	0.428	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-31.6	-177.7	-56.7	-25.8	0	0	0	109.8	Q67 V68	Q67-D72 HydrophobicContact CB-CB 3.83Å; Q67-D72 HydrophobicContact CG-CB 4.42Å; V68-D72 PolarHBondContact N-OD2 3.24Å; V68-D72 PolarHBondContact O-N 3.39Å
73	V	87.7	Confident	86.5	Confident	24 Å²	24	39.1 Å²	39.1	15%	0.145	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-107.1	86	168.8	-165.1	0	0	0	0	109	Q67 V68 G70 R71 K76 C105	Q67-V73 HydrophobicContact CB-CG2 3.87Å; V68-V73 PolarHBondContact O-N 2.94Å; G70-V73 WeakPolarHBondContact CA-O 3.26Å; G70-V73 PolarHBondContact N-O 3.06Å; G70-V73 VanDerWaalsContact N-O 3.14Å; R71-V73 VanDerWaalsContact C-N 3.34Å; V73-K76 HydrophobicContact CG1-CB 3.91Å; V73-K76 HydrophobicContact CG1-CD 4.06Å; V73-K76 HydrophobicContact CG1-CG 4.2Å; V73-K76 PolarHBondContact O-N 3.42Å; V73-C105 HydrophobicContact CB-CB 4.1Å; V73-C105 HydrophobicContact CG1-CB 4.13Å; V73-C105 HydrophobicContact CG2-CB 4.3Å
74	S	87	Confident	86	Confident	100 Å²	100	39.1 Å²	39.1	70%	0.699	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	139.1	179.3	-73.3	0	0	0	0	111.7	K76	S74-K76 VanDerWaalsContact C-N 3.25Å; S74-K76 PolarHBondContact O-N 2.55Å
75	G	89.8	Confident	85.7	Confident	63 Å²	63	39.7 Å²	39.7	65%	0.649	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.4	-2	-180	0	0	0	0	0	115.8
76	K	92.8	Very high	85.6	Confident	42 Å²	42	36.6 Å²	36.6	18%	0.183	22%	0.219	C	C	.	.			trans	-126.8	81.5	-179.8	-58.2	-168.5	-167.8	-175.9	0	111.5	C69 G70 V73 S74 C105 V106 A107 G137 G138	C69-K76 CarbonylContact C-O 3.3Å; C69-K76 WeakPolarHBondContact CB-O 3.46Å; G70-K76 PolarHBondContact N-O 3.38Å; V73-K76 HydrophobicContact CG1-CB 3.91Å; V73-K76 HydrophobicContact CG1-CD 4.06Å; V73-K76 HydrophobicContact CG1-CG 4.2Å; V73-K76 PolarHBondContact O-N 3.42Å; S74-K76 VanDerWaalsContact C-N 3.25Å; S74-K76 PolarHBondContact O-N 2.55Å; K76-C105 HydrophobicContact CB-CB 3.82Å; K76-C105 WeakPolarHBondContact CD-O 3.46Å; K76-C105 WeakPolarHBondContact O-CB 3.45Å; K76-V106 CarbonylContact C-O 3.37Å; K76-V106 WeakPolarHBondContact CA-O 3.35Å; K76-A107 HydrophobicContact CG-CB 4.43Å; K76-G137 PolarHBondContact NZ-O 3.11Å; K76-G138 PolarHBondContact NZ-O 3.13Å
77	P	91.7	Very high	85.4	Confident	49 Å²	49	36 Å²	36	32%	0.318	21%	0.213	S	C	.	.			trans	-82.6	-14.6	-172.8	32.4	-34.5	0	0	0	114.4	C69	C69-P77 WeakPolarHBondContact CB-O 3.3Å
78	Y	91.7	Very high	84.7	Confident	73 Å²	73	33.6 Å²	33.6	29%	0.286	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	143.6	-172.9	-52.8	-68.3	0	0	0	112.8	C105 V106 A107 G172	Y78-C105 CarbonylContact O-C 3.53Å; Y78-C105 WeakPolarHBondContact O-CA 3.19Å; Y78-V106 PolarHBondContact N-O 2.9Å; Y78-V106 VanDerWaalsContact N-O 3.14Å; Y78-V106 PolarHBondContact O-N 3.4Å; Y78-A107 VanDerWaalsContact CD2-O 3.23Å; Y78-A107 WeakPolarHBondContact CD2-O 3.49Å; Y78-A107 VanDerWaalsContact CE2-O 3.23Å; Y78-A107 WeakPolarHBondContact CE2-O 3.48Å; Y78-G172 CarbonylContact C-O 3.54Å; Y78-G172 WeakPolarHBondContact CA-O 3.44Å
79	L	90.7	Very high	83.8	Confident	4 Å²	4	42 Å²	42	2%	0.021	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	125.2	176.2	-172.6	76	0	0	0	111.2	P61 T62 N63 F81 Q103 G172 R173 C174	P61-L79 HydrophobicContact CB-CB 3.71Å; P61-L79 HydrophobicContact CB-CD2 3.91Å; P61-L79 HydrophobicContact CB-CG 4.32Å; P61-L79 HydrophobicContact CG-CB 3.78Å; T62-L79 WeakPolarHBondContact O-CD1 3.48Å; N63-L79 HydrophobicContact CB-CD1 4.13Å; L79-F81 HydrophobicContact CD2-CE1 3.99Å; L79-F81 HydrophobicContact CD2-CZ 3.86Å; L79-Q103 HydrophobicContact CD1-CB 3.97Å; L79-Q103 HydrophobicContact CD1-CG 4.17Å; L79-Q103 HydrophobicContact CD2-CB 4.33Å; L79-Q103 HydrophobicContact CD2-CG 4.47Å; L79-Q103 HydrophobicContact CG-CB 4.25Å; L79-G172 PolarHBondContact N-O 3.44Å; L79-R173 HydrophobicContact CB-CG 4.32Å; L79-C174 PolarHBondContact O-N 3.43Å
80	F	91.2	Very high	82.7	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	141.2	174.2	-179.2	-95.6	0	0	0	111.3	F82 Q103 V104 V106 P110 I134 A161 Y165 C174	F80-F82 HydrophobicContact CD1-CD1 4.34Å; F80-F82 HydrophobicContact CE1-CD1 4.44Å; F80-Q103 VanDerWaalsContact O-CA 3.27Å; F80-Q103 WeakPolarHBondContact O-CA 3.36Å; F80-V104 HydrophobicContact CB-CG2 4.34Å; F80-V104 HydrophobicContact CD1-CG2 4.48Å; F80-V104 PolarHBondContact N-O 3.45Å; F80-V104 PolarHBondContact O-N 3.15Å; F80-V106 HydrophobicContact CB-CG1 4Å; F80-V106 HydrophobicContact CB-CG2 4.13Å; F80-P110 HydrophobicContact CD2-CG 4.08Å; F80-P110 HydrophobicContact CE2-CG 3.85Å; F80-I134 HydrophobicContact CD1-CB 4.33Å; F80-I134 HydrophobicContact CD1-CD1 4.09Å; F80-I134 HydrophobicContact CD1-CG2 3.87Å; F80-I134 HydrophobicContact CD2-CD1 4.2Å; F80-I134 HydrophobicContact CE1-CB 4.33Å; F80-I134 HydrophobicContact CE1-CD1 4.19Å; F80-I134 HydrophobicContact CE1-CG2 4.34Å; F80-I134 HydrophobicContact CE2-CD1 4.3Å; F80-I134 HydrophobicContact CG-CD1 4.09Å; F80-I134 HydrophobicContact CZ-CD1 4.3Å; F80-A161 HydrophobicContact CE1-CB 3.8Å; F80-Y165 HydrophobicContact CE2-CD1 4.34Å; F80-Y165 AromaticContact CE2-CE1 3.74Å; F80-Y165 HydrophobicContact CE2-CE1 3.74Å; F80-Y165 HydrophobicContact CE2-CE2 4.31Å; F80-Y165 AromaticContact CE2-CZ 3.73Å; F80-Y165 HydrophobicContact CZ-CD1 4.45Å; F80-Y165 AromaticContact CZ-CE1 3.92Å; F80-Y165 HydrophobicContact CZ-CE1 3.92Å; F80-C174 HydrophobicContact CD2-CB 4.13Å
81	F	87.3	Confident	81.6	Confident	1 Å²	1	46.8 Å²	46.8	0%	0.004	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	127.9	178.5	-56.3	-86.6	0	0	0	110.7	L79 D83 L84 V95 C99 P102 Q103 R173	L79-F81 HydrophobicContact CD2-CE1 3.99Å; L79-F81 HydrophobicContact CD2-CZ 3.86Å; F81-D83 VanDerWaalsContact C-N 3.32Å; F81-D83 PolarHBondContact O-N 3.4Å; F81-L84 HydrophobicContact CB-CB 4.36Å; F81-L84 HydrophobicContact CB-CD1 4.29Å; F81-L84 HydrophobicContact CD2-CD1 3.79Å; F81-L84 HydrophobicContact CE2-CD1 4.33Å; F81-L84 HydrophobicContact CG-CD1 4.09Å; F81-V95 HydrophobicContact CE2-CG1 4.13Å; F81-V95 HydrophobicContact CZ-CG1 3.93Å; F81-C99 HydrophobicContact CD1-CB 4.26Å; F81-C99 HydrophobicContact CE1-CB 4.26Å; F81-C99 WeakPolarHBondContact CE1-SG 3.34Å; F81-P102 CarbonylContact C-O 3.59Å; F81-P102 WeakPolarHBondContact CA-O 3.39Å; F81-Q103 HydrophobicContact CD1-CB 4.14Å; F81-Q103 HydrophobicContact CE1-CB 4.47Å; F81-R173 HydrophobicContact CE2-CB 4.32Å
82	F	87.3	Confident	80.5	Confident	4 Å²	4	44.4 Å²	44.4	2%	0.018	25%	0.254	C	S	.	.	S	Bend	trans	-66.4	-36.7	177.6	-77.2	21.4	0	0	0	112.1	F80 P102 V104 I134 L136 K158 A161 P162	F80-F82 HydrophobicContact CD1-CD1 4.34Å; F80-F82 HydrophobicContact CE1-CD1 4.44Å; F82-P102 HydrophobicContact CB-CG 4.47Å; F82-P102 HydrophobicContact CD1-CB 4.44Å; F82-P102 HydrophobicContact CD2-CB 3.78Å; F82-P102 HydrophobicContact CD2-CG 3.66Å; F82-P102 HydrophobicContact CE2-CB 4.01Å; F82-P102 HydrophobicContact CE2-CG 4.13Å; F82-P102 HydrophobicContact CG-CB 4.01Å; F82-P102 HydrophobicContact CG-CG 4.18Å; F82-P102 HydrophobicContact CZ-CB 4.46Å; F82-P102 PolarHBondContact N-O 3.28Å; F82-V104 HydrophobicContact CE1-CB 4.47Å; F82-V104 HydrophobicContact CE1-CG1 3.77Å; F82-V104 HydrophobicContact CE1-CG2 3.83Å; F82-V104 HydrophobicContact CZ-CG1 4.14Å; F82-I134 HydrophobicContact CE1-CG2 4.48Å; F82-L136 HydrophobicContact CZ-CD2 4.31Å; F82-L136 HydrophobicContact CZ-CG 4.43Å; F82-K158 WeakPolarHBondContact CE2-O 3.24Å; F82-A161 HydrophobicContact CB-CB 4.11Å; F82-A161 HydrophobicContact CD1-CB 3.83Å; F82-A161 HydrophobicContact CD2-CB 4.35Å; F82-A161 HydrophobicContact CE1-CB 4.3Å; F82-A161 HydrophobicContact CG-CB 3.85Å; F82-P162 WeakPolarHBondContact O-CD 3.41Å
83	D	80.9	Confident	79.3	Confident	24 Å²	24	43.8 Å²	43.8	13%	0.128	26%	0.26	C	S	.	.			trans	-137.7	95.8	175.7	-173.7	4	0	0	0	108.9	F81 E85 S86 T101 Y163	F81-D83 VanDerWaalsContact C-N 3.32Å; F81-D83 PolarHBondContact O-N 3.4Å; D83-E85 PolarHBondContact OD1-N 3.01Å; D83-S86 PolarHBondContact OD1-N 3.16Å; D83-S86 VanDerWaalsContact OD2-CB 3.31Å; D83-S86 WeakPolarHBondContact OD2-CB 3.46Å; D83-S86 PolarHBondContact OD2-OG 3.42Å; D83-T101 HydrophobicContact CB-CG2 3.98Å; D83-T101 WeakPolarHBondContact O-CB 3.36Å; D83-T101 WeakPolarHBondContact O-CG2 3.38Å; D83-T101 PolarHBondContact O-OG1 3.1Å; D83-Y163 WeakPolarHBondContact CA-OH 3.46Å; D83-Y163 PolarHBondContact OD1-OH 2.79Å
84	L	77.3	Confident	78.2	Confident	7 Å²	7	45.1 Å²	45.1	4%	0.037	27%	0.266	C	S	.	.	H	α-helix	trans	-74.9	-35.9	-178.5	-175.8	62.8	0	0	0	110.8	F81 S86 C87 L88 Y163 Y165 P176 V213	F81-L84 HydrophobicContact CB-CB 4.36Å; F81-L84 HydrophobicContact CB-CD1 4.29Å; F81-L84 HydrophobicContact CD2-CD1 3.79Å; F81-L84 HydrophobicContact CE2-CD1 4.33Å; F81-L84 HydrophobicContact CG-CD1 4.09Å; L84-S86 PolarHBondContact O-N 2.83Å; L84-C87 PolarHBondContact O-N 3.41Å; L84-L88 HydrophobicContact CD1-CD1 4.25Å; L84-L88 HydrophobicContact CD1-CG 4.28Å; L84-L88 HydrophobicContact CD2-CD1 4.27Å; L84-L88 HydrophobicContact CG-CD1 3.73Å; L84-L88 HydrophobicContact CG-CG 4.22Å; L84-L88 VanDerWaalsContact O-CG 3.25Å; L84-L88 WeakPolarHBondContact O-CG 3.19Å; L84-L88 PolarHBondContact O-N 3.4Å; L84-Y163 PolarHBondContact N-OH 3.33Å; L84-Y165 HydrophobicContact CB-CE1 4.16Å; L84-Y165 HydrophobicContact CD2-CE1 4.38Å; L84-Y165 HydrophobicContact CD2-CE2 4.17Å; L84-P176 VanDerWaalsContact CD2-CD 3.44Å; L84-P176 HydrophobicContact CD2-CG 3.67Å; L84-V213 HydrophobicContact CD2-CG1 4.36Å
85	E	73.5	Confident	77.1	Confident	19 Å²	19	41.2 Å²	41.2	9%	0.089	24%	0.238	C	C	.	.	H	α-helix	trans	-57.4	-49.3	179.4	-173.3	-167.3	154.4	0	0	111.2	D83 C87 L88 R89 V208 N209 E212 V213	D83-E85 PolarHBondContact OD1-N 3.01Å; E85-C87 VanDerWaalsContact C-N 3.26Å; E85-C87 PolarHBondContact O-N 3.44Å; E85-L88 PolarHBondContact O-N 2.89Å; E85-L88 VanDerWaalsContact O-N 3.1Å; E85-R89 HydrophobicContact CG-CG 4.48Å; E85-R89 PolarHBondContact O-N 3.38Å; E85-R89 IonicContact OE1-NH1 3.18Å; E85-V208 HydrophobicContact CB-CG1 4.17Å; E85-V208 VanDerWaalsContact OE2-CA 3.28Å; E85-V208 WeakPolarHBondContact OE2-CA 3.41Å; E85-V208 VanDerWaalsContact OE2-CG1 3.26Å; E85-V208 WeakPolarHBondContact OE2-CG1 3.42Å; E85-N209 PolarHBondContact OE2-N 3.42Å; E85-N209 VanDerWaalsContact OE2-N 3.14Å; E85-E212 HydrophobicContact CG-CB 4.39Å; E85-V213 HydrophobicContact CB-CG2 4.36Å
86	S	74.3	Confident	75.9	Confident	48 Å²	48	42.9 Å²	42.9	34%	0.336	24%	0.235	S	C	.	.	H	α-helix	trans	-59.3	-35.9	179.4	-75.5	0	0	0	0	112.7	D83 L84	D83-S86 PolarHBondContact OD1-N 3.16Å; D83-S86 VanDerWaalsContact OD2-CB 3.31Å; D83-S86 WeakPolarHBondContact OD2-CB 3.46Å; D83-S86 PolarHBondContact OD2-OG 3.42Å; L84-S86 PolarHBondContact O-N 2.83Å
87	C	72.7	Confident	74.5	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-69.4	-41.5	175.9	-170.2	0	0	0	0	112	L84 E85 L90 C99	L84-C87 PolarHBondContact O-N 3.41Å; E85-C87 VanDerWaalsContact C-N 3.26Å; E85-C87 PolarHBondContact O-N 3.44Å; C87-L90 PolarHBondContact O-N 3.17Å; C87-C99 HydrophobicContact CB-CB 3.58Å; C87-C99 WeakPolarHBondContact CB-SG 3.37Å; C87-C99 WeakPolarHBondContact SG-CB 3.49Å; C87-C99 CovalentContact SG-SG 2.01Å; C87-C99 PolarHBondContact SG-SG 2.91Å
88	L	70.3	Confident	73.2	Confident	19 Å²	19	42.5 Å²	42.5	10%	0.099	24%	0.238	C	C	.	.	H	α-helix	trans	-70.4	-35.5	-176.3	-67.6	172.9	0	0	0	113.1	L84 E85 L90 G91 V95 V213 S216	L84-L88 HydrophobicContact CD1-CD1 4.25Å; L84-L88 HydrophobicContact CD1-CG 4.28Å; L84-L88 HydrophobicContact CD2-CD1 4.27Å; L84-L88 HydrophobicContact CG-CD1 3.73Å; L84-L88 HydrophobicContact CG-CG 4.22Å; L84-L88 VanDerWaalsContact O-CG 3.25Å; L84-L88 WeakPolarHBondContact O-CG 3.19Å; L84-L88 PolarHBondContact O-N 3.4Å; E85-L88 PolarHBondContact O-N 2.89Å; E85-L88 VanDerWaalsContact O-N 3.1Å; L88-L90 PolarHBondContact O-N 2.95Å; L88-G91 PolarHBondContact O-N 3.35Å; L88-G91 VanDerWaalsContact O-N 3.08Å; L88-V95 HydrophobicContact CD2-CG2 3.46Å; L88-V95 VanDerWaalsContact CD2-CG2 3.46Å; L88-V95 HydrophobicContact CG-CG2 4.41Å; L88-V213 HydrophobicContact CD1-CB 4.3Å; L88-V213 HydrophobicContact CD1-CG1 4.35Å; L88-V213 HydrophobicContact CD1-CG2 4.17Å; L88-S216 WeakPolarHBondContact CD1-OG 3.4Å; L88-S216 WeakPolarHBondContact CD2-OG 3.24Å
89	R	67.4	Low	72.2	Confident	176 Å²	176	39.1 Å²	39.1	66%	0.664	22%	0.224	S	C	*	.	H	α-helix	trans	-60.5	-29.2	175.4	-77.2	-177.1	72.9	160.7	1.6	113.3	E85 E212	E85-R89 HydrophobicContact CG-CG 4.48Å; E85-R89 PolarHBondContact O-N 3.38Å; E85-R89 IonicContact OE1-NH1 3.18Å; R89-E212 HydrophobicContact CG-CB 4.45Å; R89-E212 HydrophobicContact CG-CG 4.2Å
90	L	65.8	Low	71.4	Confident	116 Å²	116	42.1 Å²	42.1	61%	0.607	24%	0.244	S	C	*	.	H	α-helix	trans	-85.2	-13.2	179.4	-67.8	165.5	0	0	0	112.8	C87 L88 L94 P100	C87-L90 PolarHBondContact O-N 3.17Å; L88-L90 PolarHBondContact O-N 2.95Å; L90-L94 HydrophobicContact CB-CD1 3.25Å; L90-L94 HydrophobicContact CD1-CD1 4.45Å; L90-L94 HydrophobicContact CG-CD1 4.46Å; L90-P100 HydrophobicContact CD1-CG 3.46Å; L90-P100 VanDerWaalsContact CD1-CG 3.46Å
91	G	62.2	Low	70.7	Confident	21 Å²	21	42.5 Å²	42.5	22%	0.216	25%	0.247	C	C	.	.			trans	130.9	142.4	173	0	0	0	0	0	113	L88 A93 L94	L88-G91 PolarHBondContact O-N 3.35Å; L88-G91 VanDerWaalsContact O-N 3.08Å; G91-A93 PolarHBondContact O-N 3.46Å; G91-A93 VanDerWaalsContact O-N 3.12Å; G91-L94 WeakPolarHBondContact O-CB 3.25Å; G91-L94 PolarHBondContact O-N 3.29Å; G91-L94 VanDerWaalsContact O-N 3.08Å
92	P	62.1	Low	70.5	Confident	62 Å²	62	43 Å²	43	40%	0.403	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-24	-173.3	23.3	-32.6	0	0	0	114	L94 V95 L219	P92-L94 PolarHBondContact O-N 2.94Å; P92-V95 PolarHBondContact O-N 2.87Å; P92-L219 HydrophobicContact CG-CD2 4.49Å
93	A	62.3	Low	70.5	Confident	68 Å²	68	43.2 Å²	43.2	56%	0.562	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-29.3	176.3	0	0	0	0	0	112.8	G91 V95 V96 T97	G91-A93 PolarHBondContact O-N 3.46Å; G91-A93 VanDerWaalsContact O-N 3.12Å; A93-V95 VanDerWaalsContact C-N 3.28Å; A93-V95 PolarHBondContact O-N 3.27Å; A93-V96 PolarHBondContact O-N 2.98Å; A93-T97 PolarHBondContact O-N 3.23Å; A93-T97 PolarHBondContact O-OG1 2.88Å
94	L	64.8	Low	71	Confident	52 Å²	52	42.3 Å²	42.3	27%	0.272	25%	0.246	S	C	.	.	H	α-helix	trans	-69	-25	-178.2	-67.7	167.7	0	0	0	113	L90 G91 P92 V96 T97 G98 C99	L90-L94 HydrophobicContact CB-CD1 3.25Å; L90-L94 HydrophobicContact CD1-CD1 4.45Å; L90-L94 HydrophobicContact CG-CD1 4.46Å; G91-L94 WeakPolarHBondContact O-CB 3.25Å; G91-L94 PolarHBondContact O-N 3.29Å; G91-L94 VanDerWaalsContact O-N 3.08Å; P92-L94 PolarHBondContact O-N 2.94Å; L94-V96 PolarHBondContact O-N 2.8Å; L94-T97 WeakPolarHBondContact CA-OG1 3.45Å; L94-T97 PolarHBondContact O-N 3.47Å; L94-G98 WeakPolarHBondContact CD2-O 3.48Å; L94-G98 CarbonylContact O-C 3.54Å; L94-G98 WeakPolarHBondContact O-CA 3.37Å; L94-G98 PolarHBondContact O-N 2.9Å; L94-C99 PolarHBondContact O-SG 3.33Å
95	V	62.4	Low	71.8	Confident	17 Å²	17	42 Å²	42	10%	0.103	25%	0.245	C	C	.	.	H	α-helix	trans	-61.6	-28.7	172.6	-177.3	0	0	0	0	111.2	F81 L88 P92 A93 R173	F81-V95 HydrophobicContact CE2-CG1 4.13Å; F81-V95 HydrophobicContact CZ-CG1 3.93Å; L88-V95 HydrophobicContact CD2-CG2 3.46Å; L88-V95 VanDerWaalsContact CD2-CG2 3.46Å; L88-V95 HydrophobicContact CG-CG2 4.41Å; P92-V95 PolarHBondContact O-N 2.87Å; A93-V95 VanDerWaalsContact C-N 3.28Å; A93-V95 PolarHBondContact O-N 3.27Å; V95-R173 WeakPolarHBondContact O-CD 3.39Å; V95-R173 PolarHBondContact O-NE 3.21Å
96	V	64.4	Low	72.8	Confident	98 Å²	98	41.5 Å²	41.5	59%	0.594	24%	0.243	S	C	*	.	H	α-helix	trans	-91.4	-42.8	179	-173.9	0	0	0	0	111.3	A93 L94 R173	A93-V96 PolarHBondContact O-N 2.98Å; L94-V96 PolarHBondContact O-N 2.8Å; V96-R173 PolarHBondContact O-NH2 3.08Å
97	T	63.4	Low	73.7	Confident	76 Å²	76	42 Å²	42	47%	0.466	25%	0.25	S	S	.	.	H	α-helix	trans	-90.8	-20.4	-171.9	59.1	0	0	0	0	115.2	A93 L94 Y443	A93-T97 PolarHBondContact O-N 3.23Å; A93-T97 PolarHBondContact O-OG1 2.88Å; L94-T97 WeakPolarHBondContact CA-OG1 3.45Å; L94-T97 PolarHBondContact O-N 3.47Å; T97-Y443 WeakPolarHBondContact O-CB 3.19Å
98	G	65	Low	74.7	Confident	8 Å²	8	46.1 Å²	46.1	8%	0.082	28%	0.279	C	S	.	.			trans	137.3	129.3	-176.3	0	0	0	0	0	113.2	L94 L442	L94-G98 WeakPolarHBondContact CD2-O 3.48Å; L94-G98 CarbonylContact O-C 3.54Å; L94-G98 WeakPolarHBondContact O-CA 3.37Å; L94-G98 PolarHBondContact O-N 2.9Å; G98-L442 VanDerWaalsContact CA-O 3.23Å; G98-L442 WeakPolarHBondContact CA-O 3.3Å
99	C	72.1	Confident	75.7	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.007	28%	0.279	C	S	.	.			trans	-106.4	145.8	-179.6	-63.1	0	0	0	0	111.3	F81 C87 L94 T101	F81-C99 HydrophobicContact CD1-CB 4.26Å; F81-C99 HydrophobicContact CE1-CB 4.26Å; F81-C99 WeakPolarHBondContact CE1-SG 3.34Å; C87-C99 HydrophobicContact CB-CB 3.58Å; C87-C99 WeakPolarHBondContact CB-SG 3.37Å; C87-C99 WeakPolarHBondContact SG-CB 3.49Å; C87-C99 CovalentContact SG-SG 2.01Å; C87-C99 PolarHBondContact SG-SG 2.91Å; L94-C99 PolarHBondContact O-SG 3.33Å; C99-T101 PolarHBondContact O-N 2.93Å
100	P	72.1	Confident	76.8	Confident	67 Å²	67	37.9 Å²	37.9	44%	0.435	25%	0.249	S	C	.	.	S	Bend	trans	-76.4	29.3	173.9	32.4	-34.5	0	0	0	113.5	L90 L442	L90-P100 HydrophobicContact CD1-CG 3.46Å; L90-P100 VanDerWaalsContact CD1-CG 3.46Å; P100-L442 HydrophobicContact CB-CD1 4.15Å
101	T	77.2	Confident	77.9	Confident	9 Å²	9	39 Å²	39	6%	0.055	25%	0.251	C	S	.	.	S	Bend	trans	-133	148.6	-175.5	62.1	0	0	0	0	112.4	D83 C99 Q103 R440	D83-T101 HydrophobicContact CB-CG2 3.98Å; D83-T101 WeakPolarHBondContact O-CB 3.36Å; D83-T101 WeakPolarHBondContact O-CG2 3.38Å; D83-T101 PolarHBondContact O-OG1 3.1Å; C99-T101 PolarHBondContact O-N 2.93Å; T101-Q103 PolarHBondContact O-N 3.15Å; T101-Q103 VanDerWaalsContact O-N 3.12Å; T101-R440 PolarHBondContact O-NH2 3.44Å
102	P	83.6	Confident	79	Confident	10 Å²	10	41.7 Å²	41.7	7%	0.065	26%	0.256	C	S	.	.			trans	-20.9	108.7	169.3	38.2	-22.3	0	0	0	116.2	F81 F82 L136 K158 R440	F81-P102 CarbonylContact C-O 3.59Å; F81-P102 WeakPolarHBondContact CA-O 3.39Å; F82-P102 HydrophobicContact CB-CG 4.47Å; F82-P102 HydrophobicContact CD1-CB 4.44Å; F82-P102 HydrophobicContact CD2-CB 3.78Å; F82-P102 HydrophobicContact CD2-CG 3.66Å; F82-P102 HydrophobicContact CE2-CB 4.01Å; F82-P102 HydrophobicContact CE2-CG 4.13Å; F82-P102 HydrophobicContact CG-CB 4.01Å; F82-P102 HydrophobicContact CG-CG 4.18Å; F82-P102 HydrophobicContact CZ-CB 4.46Å; F82-P102 PolarHBondContact N-O 3.28Å; P102-L136 HydrophobicContact CB-CD2 4.37Å; P102-K158 HydrophobicContact CG-CB 4.2Å; P102-R440 VanDerWaalsContact CB-CZ 3.43Å; P102-R440 VanDerWaalsContact CD-NH1 3.27Å; P102-R440 VanDerWaalsContact CD-NH2 3.28Å
103	Q	86.8	Confident	79.9	Confident	10 Å²	10	40.9 Å²	40.9	5%	0.047	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	127.4	171.4	68.1	-173.4	38.6	0	0	111.4	T62 N63 S64 L79 F80 F81 T101	T62-Q103 PolarHBondContact O-NE2 3.21Å; N63-Q103 WeakPolarHBondContact CB-O 3.24Å; S64-Q103 WeakPolarHBondContact CB-O 3.39Å; S64-Q103 PolarHBondContact N-O 3.41Å; S64-Q103 WeakPolarHBondContact OG-CG 3.29Å; S64-Q103 PolarHBondContact OG-N 2.75Å; L79-Q103 HydrophobicContact CD1-CB 3.97Å; L79-Q103 HydrophobicContact CD1-CG 4.17Å; L79-Q103 HydrophobicContact CD2-CB 4.33Å; L79-Q103 HydrophobicContact CD2-CG 4.47Å; L79-Q103 HydrophobicContact CG-CB 4.25Å; F80-Q103 VanDerWaalsContact O-CA 3.27Å; F80-Q103 WeakPolarHBondContact O-CA 3.36Å; F81-Q103 HydrophobicContact CD1-CB 4.14Å; F81-Q103 HydrophobicContact CE1-CB 4.47Å; T101-Q103 PolarHBondContact O-N 3.15Å; T101-Q103 VanDerWaalsContact O-N 3.12Å
104	V	91.4	Very high	81	Confident	4 Å²	4	38.2 Å²	38.2	2%	0.024	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	148.2	-171.3	-62.3	0	0	0	0	110.7	F80 F82 V106 I134 L136	F80-V104 HydrophobicContact CB-CG2 4.34Å; F80-V104 HydrophobicContact CD1-CG2 4.48Å; F80-V104 PolarHBondContact N-O 3.45Å; F80-V104 PolarHBondContact O-N 3.15Å; F82-V104 HydrophobicContact CE1-CB 4.47Å; F82-V104 HydrophobicContact CE1-CG1 3.77Å; F82-V104 HydrophobicContact CE1-CG2 3.83Å; F82-V104 HydrophobicContact CZ-CG1 4.14Å; V104-V106 HydrophobicContact CG2-CG1 4.18Å; V104-I134 HydrophobicContact CG2-CG2 3.57Å; V104-L136 HydrophobicContact CG1-CD2 4.23Å
105	C	93.8	Very high	81.9	Confident	2 Å²	2	36 Å²	36	1%	0.014	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	134.2	173.8	-56.3	0	0	0	0	109.9	C69 V73 K76 Y78 G138	C69-C105 WeakPolarHBondContact CA-SG 3.39Å; C69-C105 HydrophobicContact CB-CB 3.81Å; C69-C105 WeakPolarHBondContact CB-SG 3.46Å; C69-C105 WeakPolarHBondContact SG-CB 3.43Å; C69-C105 CovalentContact SG-SG 2.04Å; C69-C105 PolarHBondContact SG-SG 2.87Å; V73-C105 HydrophobicContact CB-CB 4.1Å; V73-C105 HydrophobicContact CG1-CB 4.13Å; V73-C105 HydrophobicContact CG2-CB 4.3Å; K76-C105 HydrophobicContact CB-CB 3.82Å; K76-C105 WeakPolarHBondContact CD-O 3.46Å; K76-C105 WeakPolarHBondContact O-CB 3.45Å; Y78-C105 CarbonylContact O-C 3.53Å; Y78-C105 WeakPolarHBondContact O-CA 3.19Å; C105-G138 WeakPolarHBondContact O-CA 3.5Å
106	V	94.3	Very high	82.9	Confident	7 Å²	7	35.8 Å²	35.8	4%	0.042	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	153.2	179.2	-61.8	0	0	0	0	111	K76 Y78 F80 V104 S108 I134	K76-V106 CarbonylContact C-O 3.37Å; K76-V106 WeakPolarHBondContact CA-O 3.35Å; Y78-V106 PolarHBondContact N-O 2.9Å; Y78-V106 VanDerWaalsContact N-O 3.14Å; Y78-V106 PolarHBondContact O-N 3.4Å; F80-V106 HydrophobicContact CB-CG1 4Å; F80-V106 HydrophobicContact CB-CG2 4.13Å; V104-V106 HydrophobicContact CG2-CG1 4.18Å; V106-S108 WeakPolarHBondContact CG2-O 3.5Å; V106-I134 HydrophobicContact CG1-CD1 4.34Å; V106-I134 HydrophobicContact CG1-CG2 4.03Å
107	A	92.9	Very high	83.7	Confident	60 Å²	60	35.6 Å²	35.6	50%	0.496	20%	0.198	S	C	.	.	S	Bend	trans	-70.8	-40.3	-179.5	0	0	0	0	0	112.2	K76 Y78	K76-A107 HydrophobicContact CG-CB 4.43Å; Y78-A107 VanDerWaalsContact CD2-O 3.23Å; Y78-A107 WeakPolarHBondContact CD2-O 3.49Å; Y78-A107 VanDerWaalsContact CE2-O 3.23Å; Y78-A107 WeakPolarHBondContact CE2-O 3.48Å
108	S	93.4	Very high	84.3	Confident	85 Å²	85	35 Å²	35	59%	0.594	19%	0.194	S	C	*	.	S	Bend	trans	-139.1	150.9	175.2	54.6	0	0	0	0	109.7	V106	V106-S108 WeakPolarHBondContact CG2-O 3.5Å
109	C	92.2	Very high	84.3	Confident	15 Å²	15	40.4 Å²	40.4	10%	0.101	23%	0.228	C	C	.	.			trans	-73.6	137.6	172.4	-69.3	0	0	0	0	110	S167 C174	C109-S167 WeakPolarHBondContact CB-OG 3.42Å; C109-C174 WeakPolarHBondContact CA-SG 3.23Å; C109-C174 HydrophobicContact CB-CB 3.83Å; C109-C174 WeakPolarHBondContact CB-SG 3.24Å; C109-C174 WeakPolarHBondContact SG-CA 3.34Å; C109-C174 WeakPolarHBondContact SG-CB 3.46Å; C109-C174 CovalentContact SG-SG 2.05Å; C109-C174 PolarHBondContact SG-SG 3.46Å
110	P	91.2	Very high	84.2	Confident	8 Å²	8	44 Å²	44	5%	0.052	24%	0.243	C	C	.	.			trans	-67.5	135.4	-177.3	23.3	-31.8	0	0	0	112	F80 Y112 I134 I164 S167	F80-P110 HydrophobicContact CD2-CG 4.08Å; F80-P110 HydrophobicContact CE2-CG 3.85Å; P110-Y112 HydrophobicContact CB-CD1 4.24Å; P110-Y112 HydrophobicContact CB-CE1 3.89Å; P110-I134 HydrophobicContact CG-CD1 4.08Å; P110-I164 HydrophobicContact CB-CG2 3.49Å; P110-I164 VanDerWaalsContact CB-CG2 3.49Å; P110-I164 HydrophobicContact CG-CG2 3.53Å; P110-S167 VanDerWaalsContact CD-OG 3.27Å; P110-S167 WeakPolarHBondContact CD-OG 3.46Å; P110-S167 PolarHBondContact O-N 3.33Å; P110-S167 PolarHBondContact O-OG 3.28Å; P110-S167 VanDerWaalsContact O-OG 3.07Å
111	E	88	Confident	83.5	Confident	139 Å²	139	49.6 Å²	49.6	65%	0.65	26%	0.264	S	S	*	.			trans	-104	21.8	178	-59.8	-166.8	151.7	0	0	112.5	H166	E111-H166 PolarHBondContact O-CD2 3.49Å
112	Y	85.3	Confident	82.8	Confident	78 Å²	78	55.4 Å²	55.4	31%	0.306	29%	0.288	S	S	.	.	S	Bend	trans	-135.8	165.2	-178.5	59.6	-91.4	0	0	0	111.6	P110 W114 L132 I164 Y165 H166	P110-Y112 HydrophobicContact CB-CD1 4.24Å; P110-Y112 HydrophobicContact CB-CE1 3.89Å; Y112-W114 HydrophobicContact CD2-CB 4.13Å; Y112-W114 HydrophobicContact CE2-CB 4.11Å; Y112-L132 HydrophobicContact CD2-CD2 4.15Å; Y112-L132 HydrophobicContact CE1-CD2 4.36Å; Y112-L132 HydrophobicContact CE2-CB 4.03Å; Y112-L132 HydrophobicContact CE2-CD2 3.77Å; Y112-L132 HydrophobicContact CE2-CG 4.47Å; Y112-L132 PolarHBondContact OH-O 2.96Å; Y112-I164 HydrophobicContact CD2-CG2 4.2Å; Y112-I164 HydrophobicContact CE2-CB 4.12Å; Y112-I164 HydrophobicContact CE2-CD1 4.16Å; Y112-I164 HydrophobicContact CE2-CG1 4.4Å; Y112-I164 HydrophobicContact CE2-CG2 3.82Å; Y112-Y165 CarbonylContact O-C 3.48Å; Y112-Y165 VanDerWaalsContact O-C 3.24Å; Y112-H166 PolarHBondContact O-N 2.99Å; Y112-H166 VanDerWaalsContact O-N 3.12Å
113	Y	81	Confident	81.8	Confident	45 Å²	45	63.6 Å²	63.6	18%	0.176	32%	0.323	C	S	.	.			trans	-105.9	137.5	171.1	-68.5	-82.8	0	0	0	110.1	I164 H166 V190 I198 L200	Y113-I164 WeakPolarHBondContact CA-O 3.11Å; Y113-H166 HydrophobicContact CD2-CB 4.06Å; Y113-H166 HydrophobicContact CE1-CB 4.27Å; Y113-H166 HydrophobicContact CE2-CB 3.51Å; Y113-V190 HydrophobicContact CD1-CG1 4.32Å; Y113-V190 HydrophobicContact CE1-CG1 3.94Å; Y113-I198 HydrophobicContact CD1-CD1 3.97Å; Y113-I198 HydrophobicContact CD2-CD1 3.47Å; Y113-I198 VanDerWaalsContact CD2-CD1 3.47Å; Y113-I198 HydrophobicContact CE2-CD1 4.08Å; Y113-I198 HydrophobicContact CG-CD1 3.4Å; Y113-I198 VanDerWaalsContact CG-CD1 3.4Å; Y113-L200 HydrophobicContact CD1-CD1 4.5Å
114	W	84.8	Confident	80.7	Confident	12 Å²	12	67.2 Å²	67.2	5%	0.045	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	151.1	175.2	179.9	85.6	0	0	0	110.3	Y112 W116 V129 L132 M133 I151 Y163 I164	Y112-W114 HydrophobicContact CD2-CB 4.13Å; Y112-W114 HydrophobicContact CE2-CB 4.11Å; W114-W116 HydrophobicContact CH2-CB 3.72Å; W114-W116 HydrophobicContact CZ2-CB 4.48Å; W114-W116 HydrophobicContact CZ3-CB 4.12Å; W114-V129 HydrophobicContact CZ2-CG1 3.63Å; W114-L132 HydrophobicContact CG-CB 4.13Å; W114-L132 HydrophobicContact CG-CD1 4.46Å; W114-M133 HydrophobicContact CE3-CG 4.47Å; W114-M133 HydrophobicContact CH2-CE 3.83Å; W114-M133 HydrophobicContact CH2-CG 3.35Å; W114-M133 HydrophobicContact CH2-SD 3.73Å; W114-M133 HydrophobicContact CZ2-CG 3.71Å; W114-M133 HydrophobicContact CZ2-SD 4.14Å; W114-M133 HydrophobicContact CZ3-CE 4.39Å; W114-M133 HydrophobicContact CZ3-CG 3.78Å; W114-I151 HydrophobicContact CH2-CG2 4.5Å; W114-Y163 CarbonylContact O-C 3.4Å; W114-Y163 VanDerWaalsContact O-CA 3.29Å; W114-Y163 WeakPolarHBondContact O-CA 3.44Å; W114-I164 HydrophobicContact CB-CB 4.14Å; W114-I164 HydrophobicContact CB-CG1 4.32Å; W114-I164 HydrophobicContact CE3-CG1 4.04Å; W114-I164 PolarHBondContact N-O 2.93Å; W114-I164 VanDerWaalsContact N-O 3.08Å; W114-I164 PolarHBondContact O-N 3.01Å
115	S	84.7	Confident	79.8	Confident	5 Å²	5	70.7 Å²	70.7	4%	0.035	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	142	178.6	-176.5	0	0	0	0	109	K117 T118 L199 K201	S115-K117 PolarHBondContact O-N 3.25Å; S115-K117 VanDerWaalsContact O-N 3.15Å; S115-T118 PolarHBondContact N-OG1 2.87Å; S115-T118 VanDerWaalsContact O-CB 3.28Å; S115-T118 WeakPolarHBondContact O-CB 3.44Å; S115-T118 PolarHBondContact O-N 2.93Å; S115-T118 PolarHBondContact O-OG1 3.38Å; S115-L199 WeakPolarHBondContact CB-O 3.26Å; S115-L199 PolarHBondContact OG-O 3.43Å; S115-L199 VanDerWaalsContact OG-O 3.09Å; S115-K201 PolarHBondContact OG-N 3.19Å
116	W	84	Confident	78.9	Confident	12 Å²	12	73.2 Å²	73.2	5%	0.045	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-20.4	-178.1	75.7	-83.7	0	0	0	114.3	W114 T118 I151 E152 V155 P162 N202	W114-W116 HydrophobicContact CH2-CB 3.72Å; W114-W116 HydrophobicContact CZ2-CB 4.48Å; W114-W116 HydrophobicContact CZ3-CB 4.12Å; W116-T118 VanDerWaalsContact C-N 3.32Å; W116-I151 HydrophobicContact CB-CG2 4.24Å; W116-E152 HydrophobicContact CZ3-CG 3.89Å; W116-V155 HydrophobicContact CB-CG2 3.74Å; W116-V155 HydrophobicContact CD2-CG1 4.21Å; W116-V155 HydrophobicContact CG-CB 4.44Å; W116-V155 HydrophobicContact CG-CG1 4.04Å; W116-V155 HydrophobicContact CG-CG2 4.05Å; W116-P162 WeakPolarHBondContact CB-O 3.33Å; W116-P162 PolarHBondContact N-O 3.46Å; W116-N202 PolarHBondContact NE1-O 3.37Å; W116-N202 VanDerWaalsContact NE1-O 3.11Å
117	K	81.2	Confident	78.2	Confident	95 Å²	95	79.1 Å²	79.1	41%	0.413	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	10.6	172.6	-75	-59	-159.4	-167.7	0	114	S115 P119 K201 D205	S115-K117 PolarHBondContact O-N 3.25Å; S115-K117 VanDerWaalsContact O-N 3.15Å; K117-P119 WeakPolarHBondContact O-CD 3.45Å; K117-K201 HydrophobicContact CB-CD 4.25Å; K117-K201 HydrophobicContact CG-CD 4Å; K117-D205 VanDerWaalsContact CE-OD1 3.22Å; K117-D205 WeakPolarHBondContact CE-OD1 3.5Å; K117-D205 WeakPolarHBondContact CG-OD1 3.25Å
118	T	74.4	Confident	77.7	Confident	62 Å²	62	80.9 Å²	80.9	38%	0.38	40%	0.403	S	S	.	.			trans	-65.7	121.1	175.5	-47.2	0	0	0	0	108.3	S115 W116	S115-T118 PolarHBondContact N-OG1 2.87Å; S115-T118 VanDerWaalsContact O-CB 3.28Å; S115-T118 WeakPolarHBondContact O-CB 3.44Å; S115-T118 PolarHBondContact O-N 2.93Å; S115-T118 PolarHBondContact O-OG1 3.38Å; W116-T118 VanDerWaalsContact C-N 3.32Å
119	P	67	Low	77.3	Confident	123 Å²	123	77.7 Å²	77.7	80%	0.799	38%	0.38	S	S	*	.			trans	-65.9	137.5	-177.2	24.6	-31.5	0	0	0	111	K117	K117-P119 WeakPolarHBondContact O-CD 3.45Å
120	F	69.2	Low	77.1	Confident	75 Å²	75	77.6 Å²	77.6	33%	0.329	38%	0.378	S	S	.	.			trans	-132.4	134.1	170.1	57.6	-87.3	0	0	0	108.7	E125 E126 V129 I151	F120-E125 HydrophobicContact CB-CB 4.12Å; F120-E126 HydrophobicContact CE2-CB 4.1Å; F120-E126 HydrophobicContact CE2-CG 4.14Å; F120-E126 HydrophobicContact CZ-CG 4.33Å; F120-V129 HydrophobicContact CB-CG2 4.11Å; F120-V129 HydrophobicContact CD1-CG1 4.42Å; F120-V129 HydrophobicContact CD1-CG2 4.05Å; F120-V129 HydrophobicContact CE1-CG1 4.49Å; F120-V129 HydrophobicContact CG-CG2 4.15Å; F120-I151 HydrophobicContact CE1-CD1 3.87Å; F120-I151 HydrophobicContact CZ-CD1 3.92Å
121	E	58.1	Low	76.9	Confident	185 Å²	185	79.6 Å²	79.6	86%	0.864	39%	0.392	S	S	*	.			trans	-93.7	-23.9	-169.7	-75.7	-176.5	170.7	0	0	112.4	E125	E121-E125 PolarHBondContact N-OE2 3.39Å
122	K	61.7	Low	77	Confident	132 Å²	132	75.9 Å²	75.9	57%	0.574	38%	0.376	S	S	*	.	S	Bend	trans	-123.2	141.1	-173.8	-66.7	176.1	-178	171.7	0	111.8	S124 E125	K122-S124 PolarHBondContact O-N 3.12Å; K122-S124 VanDerWaalsContact O-N 3.14Å; K122-E125 HydrophobicContact CB-CG 4.27Å; K122-E125 PolarHBondContact N-OE2 3.29Å; K122-E125 WeakPolarHBondContact O-CA 3.27Å; K122-E125 VanDerWaalsContact O-CB 3.31Å; K122-E125 WeakPolarHBondContact O-CB 3.46Å; K122-E125 PolarHBondContact O-N 2.89Å
123	K	62.7	Low	77.2	Confident	182 Å²	182	72.2 Å²	72.2	79%	0.791	36%	0.362	S	S	*	.	H	α-helix	trans	-55	-30.1	171.7	-98.1	-174.9	174.5	-178.1	0	113.4	E125 E126	K123-E125 PolarHBondContact O-N 2.97Å; K123-E126 WeakPolarHBondContact O-CB 3.5Å; K123-E126 PolarHBondContact O-N 2.9Å; K123-E126 VanDerWaalsContact O-N 3.1Å
124	S	62.4	Low	77.8	Confident	86 Å²	86	70.9 Å²	70.9	60%	0.601	36%	0.357	S	S	*	.	H	α-helix	trans	-64.1	-25.2	174.5	57.6	0	0	0	0	113.1	K122	K122-S124 PolarHBondContact O-N 3.12Å; K122-S124 VanDerWaalsContact O-N 3.14Å
125	E	74.4	Confident	78.1	Confident	77 Å²	77	70.3 Å²	70.3	36%	0.36	36%	0.355	S	S	.	.	H	α-helix	trans	-81.3	-19.7	175.5	-62.6	174	161.1	0	0	111.7	F120 E121 K122 K123 F127 N128 V129	F120-E125 HydrophobicContact CB-CB 4.12Å; E121-E125 PolarHBondContact N-OE2 3.39Å; K122-E125 HydrophobicContact CB-CG 4.27Å; K122-E125 PolarHBondContact N-OE2 3.29Å; K122-E125 WeakPolarHBondContact O-CA 3.27Å; K122-E125 VanDerWaalsContact O-CB 3.31Å; K122-E125 WeakPolarHBondContact O-CB 3.46Å; K122-E125 PolarHBondContact O-N 2.89Å; K123-E125 PolarHBondContact O-N 2.97Å; E125-F127 VanDerWaalsContact C-N 3.3Å; E125-F127 PolarHBondContact O-N 3.18Å; E125-N128 CarbonylContact O-C 3.52Å; E125-N128 WeakPolarHBondContact O-CB 3.39Å; E125-N128 PolarHBondContact O-N 2.87Å; E125-V129 VanDerWaalsContact O-CG2 3.32Å; E125-V129 WeakPolarHBondContact O-CG2 3.41Å; E125-V129 PolarHBondContact O-N 3.41Å
126	E	73.8	Confident	78.3	Confident	55 Å²	55	72.9 Å²	72.9	26%	0.257	37%	0.368	S	S	.	.	H	α-helix	trans	-59.5	-42.3	178.9	-164.8	-172.3	157.3	0	0	111.1	F120 K123 N128 V129 R130 I151	F120-E126 HydrophobicContact CE2-CB 4.1Å; F120-E126 HydrophobicContact CE2-CG 4.14Å; F120-E126 HydrophobicContact CZ-CG 4.33Å; K123-E126 WeakPolarHBondContact O-CB 3.5Å; K123-E126 PolarHBondContact O-N 2.9Å; K123-E126 VanDerWaalsContact O-N 3.1Å; E126-N128 VanDerWaalsContact C-N 3.29Å; E126-N128 PolarHBondContact O-N 2.97Å; E126-V129 PolarHBondContact O-N 3.41Å; E126-R130 HydrophobicContact CG-CG 4.33Å; E126-R130 WeakPolarHBondContact O-CB 3.43Å; E126-R130 WeakPolarHBondContact O-CG 3.47Å; E126-R130 PolarHBondContact O-N 3.34Å; E126-R130 IonicContact OE1-NH1 3.43Å; E126-R130 PolarHBondContact OE1-NH1 3.41Å; E126-R130 VanDerWaalsContact OE1-NH1 3.17Å; E126-I151 HydrophobicContact CG-CD1 4.27Å
127	F	80	Confident	78.3	Confident	130 Å²	130	74 Å²	74	57%	0.57	38%	0.384	S	S	*	.	H	α-helix	trans	-60.1	-40	175.6	-174.6	-94.5	0	0	0	112.1	E125 S131 N142	E125-F127 VanDerWaalsContact C-N 3.3Å; E125-F127 PolarHBondContact O-N 3.18Å; F127-S131 PolarHBondContact O-N 3.15Å; F127-N142 HydrophobicContact CE2-CB 4.01Å; F127-N142 WeakPolarHBondContact CE2-ND2 3.47Å; F127-N142 HydrophobicContact CZ-CB 4.49Å; F127-N142 PolarHBondContact O-ND2 2.88Å
128	N	82.3	Confident	78.6	Confident	98 Å²	98	70.2 Å²	70.2	52%	0.524	37%	0.371	S	S	.	.	H	α-helix	trans	-68.9	-42.9	176.9	-69.6	-19.2	0	0	0	111.1	E125 E126 S131 L132	E125-N128 CarbonylContact O-C 3.52Å; E125-N128 WeakPolarHBondContact O-CB 3.39Å; E125-N128 PolarHBondContact O-N 2.87Å; E126-N128 VanDerWaalsContact C-N 3.29Å; E126-N128 PolarHBondContact O-N 2.97Å; N128-S131 WeakPolarHBondContact O-CB 3.48Å; N128-S131 PolarHBondContact O-N 3.04Å; N128-S131 PolarHBondContact O-OG 3.35Å; N128-L132 PolarHBondContact O-N 3.28Å
129	V	85	Confident	79.4	Confident	18 Å²	18	69.1 Å²	69.1	11%	0.109	36%	0.364	C	S	.	.	H	α-helix	trans	-61.4	-45.9	176.4	171.6	0	0	0	0	110.9	W114 F120 E125 E126 S131 L132 I151	W114-V129 HydrophobicContact CZ2-CG1 3.63Å; F120-V129 HydrophobicContact CB-CG2 4.11Å; F120-V129 HydrophobicContact CD1-CG1 4.42Å; F120-V129 HydrophobicContact CD1-CG2 4.05Å; F120-V129 HydrophobicContact CE1-CG1 4.49Å; F120-V129 HydrophobicContact CG-CG2 4.15Å; E125-V129 VanDerWaalsContact O-CG2 3.32Å; E125-V129 WeakPolarHBondContact O-CG2 3.41Å; E125-V129 PolarHBondContact O-N 3.41Å; E126-V129 PolarHBondContact O-N 3.41Å; V129-S131 PolarHBondContact O-N 3.27Å; V129-L132 WeakPolarHBondContact O-CB 3.24Å; V129-L132 PolarHBondContact O-N 3.45Å; V129-L132 VanDerWaalsContact O-N 3.11Å; V129-I151 HydrophobicContact CG1-CD1 3.73Å
130	R	87.4	Confident	80.6	Confident	13 Å²	13	66.2 Å²	66.2	5%	0.049	34%	0.342	C	S	.	.	H	α-helix	trans	-64	-29.5	177.2	-71.5	178.2	91.3	97.9	8.1	112.7	E126 L132 M133 A141 N142 F146 Q149 I151	E126-R130 HydrophobicContact CG-CG 4.33Å; E126-R130 WeakPolarHBondContact O-CB 3.43Å; E126-R130 WeakPolarHBondContact O-CG 3.47Å; E126-R130 PolarHBondContact O-N 3.34Å; E126-R130 IonicContact OE1-NH1 3.43Å; E126-R130 PolarHBondContact OE1-NH1 3.41Å; E126-R130 VanDerWaalsContact OE1-NH1 3.17Å; R130-L132 VanDerWaalsContact C-N 3.27Å; R130-L132 PolarHBondContact O-N 2.93Å; R130-M133 PolarHBondContact O-N 3.14Å; R130-A141 HydrophobicContact CB-CB 3.83Å; R130-A141 HydrophobicContact CG-CB 4.1Å; R130-A141 PolarHBondContact NE-O 2.88Å; R130-A141 PolarHBondContact NH2-O 2.8Å; R130-A141 WeakPolarHBondContact O-CB 3.39Å; R130-A141 PolarHBondContact O-N 3.38Å; R130-N142 WeakPolarHBondContact CB-OD1 3.48Å; R130-F146 PolarHBondContact NH2-O 2.9Å; R130-Q149 VanDerWaalsContact CZ-O 3.31Å; R130-Q149 PolarHBondContact NH1-O 3.42Å; R130-Q149 PolarHBondContact NH2-O 3.44Å; R130-I151 HydrophobicContact CG-CD1 4.32Å; R130-I151 HydrophobicContact CG-CG1 4.27Å
131	S	88.4	Confident	81.5	Confident	49 Å²	49	62.6 Å²	62.6	34%	0.343	33%	0.326	S	S	.	.	H	α-helix	trans	-68.1	-25.7	175.2	81.9	0	0	0	0	113.5	F127 N128 V129 N142	F127-S131 PolarHBondContact O-N 3.15Å; N128-S131 WeakPolarHBondContact O-CB 3.48Å; N128-S131 PolarHBondContact O-N 3.04Å; N128-S131 PolarHBondContact O-OG 3.35Å; V129-S131 PolarHBondContact O-N 3.27Å; S131-N142 PolarHBondContact N-ND2 3.25Å
132	L	88.5	Confident	82.9	Confident	61 Å²	61	55.5 Å²	55.5	32%	0.319	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-9.7	177.5	-63.3	170	0	0	0	113	Y112 W114 N128 V129 R130 I164	Y112-L132 HydrophobicContact CD2-CD2 4.15Å; Y112-L132 HydrophobicContact CE1-CD2 4.36Å; Y112-L132 HydrophobicContact CE2-CB 4.03Å; Y112-L132 HydrophobicContact CE2-CD2 3.77Å; Y112-L132 HydrophobicContact CE2-CG 4.47Å; Y112-L132 PolarHBondContact OH-O 2.96Å; W114-L132 HydrophobicContact CG-CB 4.13Å; W114-L132 HydrophobicContact CG-CD1 4.46Å; N128-L132 PolarHBondContact O-N 3.28Å; V129-L132 WeakPolarHBondContact O-CB 3.24Å; V129-L132 PolarHBondContact O-N 3.45Å; V129-L132 VanDerWaalsContact O-N 3.11Å; R130-L132 VanDerWaalsContact C-N 3.27Å; R130-L132 PolarHBondContact O-N 2.93Å; L132-I164 WeakPolarHBondContact O-CD1 3.46Å
133	M	90.8	Very high	84.2	Confident	2 Å²	2	51.2 Å²	51.2	1%	0.01	28%	0.277	C	S	.	.			trans	-78.8	144.1	179.5	-63	-177.5	70.6	0	0	110.9	W114 R130 N140 A141 I151 L154 V155 C160	W114-M133 HydrophobicContact CE3-CG 4.47Å; W114-M133 HydrophobicContact CH2-CE 3.83Å; W114-M133 HydrophobicContact CH2-CG 3.35Å; W114-M133 HydrophobicContact CH2-SD 3.73Å; W114-M133 HydrophobicContact CZ2-CG 3.71Å; W114-M133 HydrophobicContact CZ2-SD 4.14Å; W114-M133 HydrophobicContact CZ3-CE 4.39Å; W114-M133 HydrophobicContact CZ3-CG 3.78Å; R130-M133 PolarHBondContact O-N 3.14Å; M133-N140 VanDerWaalsContact O-CA 3.28Å; M133-N140 WeakPolarHBondContact O-CA 3.29Å; M133-A141 HydrophobicContact CB-CB 3.88Å; M133-A141 HydrophobicContact CE-CB 4.49Å; M133-A141 HydrophobicContact CG-CB 4.26Å; M133-A141 HydrophobicContact SD-CB 3.69Å; M133-I151 HydrophobicContact CE-CG2 4.03Å; M133-I151 HydrophobicContact SD-CG1 4.12Å; M133-I151 HydrophobicContact SD-CG2 4.07Å; M133-L154 HydrophobicContact CE-CB 4.35Å; M133-L154 HydrophobicContact CE-CD1 4.47Å; M133-V155 HydrophobicContact CE-CG2 3.99Å; M133-C160 HydrophobicContact CE-CB 3.58Å
134	I	92.7	Very high	85.5	Confident	17 Å²	17	48 Å²	48	9%	0.087	28%	0.275	C	S	.	.			trans	-108.3	117.4	168.7	-67.3	174	0	0	0	108.2	F80 F82 V104 V106 P110 C160 A161 I164	F80-I134 HydrophobicContact CD1-CB 4.33Å; F80-I134 HydrophobicContact CD1-CD1 4.09Å; F80-I134 HydrophobicContact CD1-CG2 3.87Å; F80-I134 HydrophobicContact CD2-CD1 4.2Å; F80-I134 HydrophobicContact CE1-CB 4.33Å; F80-I134 HydrophobicContact CE1-CD1 4.19Å; F80-I134 HydrophobicContact CE1-CG2 4.34Å; F80-I134 HydrophobicContact CE2-CD1 4.3Å; F80-I134 HydrophobicContact CG-CD1 4.09Å; F80-I134 HydrophobicContact CZ-CD1 4.3Å; F82-I134 HydrophobicContact CE1-CG2 4.48Å; V104-I134 HydrophobicContact CG2-CG2 3.57Å; V106-I134 HydrophobicContact CG1-CD1 4.34Å; V106-I134 HydrophobicContact CG1-CG2 4.03Å; P110-I134 HydrophobicContact CG-CD1 4.08Å; I134-C160 WeakPolarHBondContact O-CA 3.5Å; I134-A161 PolarHBondContact O-N 3.12Å; I134-I164 HydrophobicContact CB-CD1 3.96Å; I134-I164 HydrophobicContact CD1-CD1 3.57Å; I134-I164 HydrophobicContact CG1-CD1 3.46Å; I134-I164 VanDerWaalsContact CG1-CD1 3.46Å
135	C	92	Very high	86.6	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-113.1	172.6	-175.4	-56.2	0	0	0	0	112.7	G137 G138 V139 F146 Q159 C160	C135-G137 PolarHBondContact O-N 3.48Å; C135-G138 WeakPolarHBondContact O-CA 2.87Å; C135-G138 PolarHBondContact O-N 3.47Å; C135-V139 WeakPolarHBondContact CB-O 3.14Å; C135-V139 PolarHBondContact N-O 3.13Å; C135-F146 HydrophobicContact CB-CD2 3.9Å; C135-F146 HydrophobicContact CB-CE2 3.57Å; C135-F146 HydrophobicContact CB-CZ 4.04Å; C135-Q159 CarbonylContact C-O 3.33Å; C135-Q159 VanDerWaalsContact CA-O 3.29Å; C135-Q159 WeakPolarHBondContact CA-O 3.33Å; C135-C160 HydrophobicContact CB-CB 4.01Å; C135-C160 WeakPolarHBondContact CB-SG 3.43Å; C135-C160 WeakPolarHBondContact SG-CB 3.43Å; C135-C160 CovalentContact SG-SG 2.03Å; C135-C160 PolarHBondContact SG-SG 2.82Å
136	L	87.7	Confident	87.2	Confident	59 Å²	59	49 Å²	49	31%	0.309	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	137.1	175.1	-71.9	174.1	0	0	0	110.7	F82 P102 V104 G138 F146 Q159	F82-L136 HydrophobicContact CZ-CD2 4.31Å; F82-L136 HydrophobicContact CZ-CG 4.43Å; P102-L136 HydrophobicContact CB-CD2 4.37Å; V104-L136 HydrophobicContact CG1-CD2 4.23Å; L136-G138 VanDerWaalsContact C-N 3.26Å; L136-F146 HydrophobicContact CB-CZ 4.21Å; L136-Q159 HydrophobicContact CD1-CB 4.45Å; L136-Q159 WeakPolarHBondContact CG-O 3.31Å; L136-Q159 PolarHBondContact N-O 2.79Å
137	G	84.9	Confident	87.6	Confident	36 Å²	36	48.8 Å²	48.8	37%	0.371	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	-0.3	-170.1	0	0	0	0	0	114.5	K76 C135 V139	K76-G137 PolarHBondContact NZ-O 3.11Å; C135-G137 PolarHBondContact O-N 3.48Å; G137-V139 VanDerWaalsContact C-N 3.33Å
138	G	87.5	Confident	87.8	Confident	14 Å²	14	50.3 Å²	50.3	14%	0.144	29%	0.289	C	S	.	.	S	Bend	trans	68.6	31.6	178.7	0	0	0	0	0	113.1	K76 C105 C135 L136	K76-G138 PolarHBondContact NZ-O 3.13Å; C105-G138 WeakPolarHBondContact O-CA 3.5Å; C135-G138 WeakPolarHBondContact O-CA 2.87Å; C135-G138 PolarHBondContact O-N 3.47Å; L136-G138 VanDerWaalsContact C-N 3.26Å
139	V	90.9	Very high	87.9	Confident	40 Å²	40	48.2 Å²	48.2	24%	0.242	28%	0.276	C	S	.	.			trans	-107.4	169.3	175.2	-62.1	0	0	0	0	109.4	C135 G137 D143 F146	C135-V139 WeakPolarHBondContact CB-O 3.14Å; C135-V139 PolarHBondContact N-O 3.13Å; G137-V139 VanDerWaalsContact C-N 3.33Å; V139-D143 HydrophobicContact CB-CB 4.15Å; V139-D143 HydrophobicContact CG2-CB 3.74Å; V139-F146 HydrophobicContact CG2-CD2 4.22Å; V139-F146 HydrophobicContact CG2-CE2 3.69Å
140	N	91.8	Very high	88	Confident	61 Å²	61	49.4 Å²	49.4	33%	0.326	29%	0.285	S	S	.	.			trans	-86.4	171	175.7	65.2	25.9	0	0	0	112	M133 N142 D143	M133-N140 VanDerWaalsContact O-CA 3.28Å; M133-N140 WeakPolarHBondContact O-CA 3.29Å; N140-N142 PolarHBondContact O-N 3.37Å; N140-N142 WeakPolarHBondContact OD1-CB 3.45Å; N140-N142 PolarHBondContact OD1-N 2.87Å; N140-D143 WeakPolarHBondContact O-CB 3.01Å; N140-D143 PolarHBondContact O-N 2.96Å; N140-D143 PolarHBondContact OD1-N 3.48Å
141	A	89	Confident	87.9	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	0.6	-178.1	0	0	0	0	0	113.9	R130 M133 L154	R130-A141 HydrophobicContact CB-CB 3.83Å; R130-A141 HydrophobicContact CG-CB 4.1Å; R130-A141 PolarHBondContact NE-O 2.88Å; R130-A141 PolarHBondContact NH2-O 2.8Å; R130-A141 WeakPolarHBondContact O-CB 3.39Å; R130-A141 PolarHBondContact O-N 3.38Å; M133-A141 HydrophobicContact CB-CB 3.88Å; M133-A141 HydrophobicContact CE-CB 4.49Å; M133-A141 HydrophobicContact CG-CB 4.26Å; M133-A141 HydrophobicContact SD-CB 3.69Å; A141-L154 HydrophobicContact CB-CD1 3.88Å
142	N	88	Confident	87.7	Confident	36 Å²	36	50.4 Å²	50.4	19%	0.193	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-8.4	170.1	-67.5	-29	0	0	0	112.4	F127 R130 S131 N140	F127-N142 HydrophobicContact CE2-CB 4.01Å; F127-N142 WeakPolarHBondContact CE2-ND2 3.47Å; F127-N142 HydrophobicContact CZ-CB 4.49Å; F127-N142 PolarHBondContact O-ND2 2.88Å; R130-N142 WeakPolarHBondContact CB-OD1 3.48Å; S131-N142 PolarHBondContact N-ND2 3.25Å; N140-N142 PolarHBondContact O-N 3.37Å; N140-N142 WeakPolarHBondContact OD1-CB 3.45Å; N140-N142 PolarHBondContact OD1-N 2.87Å
143	D	89.1	Confident	87.6	Confident	41 Å²	41	51.9 Å²	51.9	22%	0.219	29%	0.291	C	S	.	.	S	Bend	trans	-57	140.5	174	-171.3	-77.4	0	0	0	110.2	V139 N140 K145 F146 A147	V139-D143 HydrophobicContact CB-CB 4.15Å; V139-D143 HydrophobicContact CG2-CB 3.74Å; N140-D143 WeakPolarHBondContact O-CB 3.01Å; N140-D143 PolarHBondContact O-N 2.96Å; N140-D143 PolarHBondContact OD1-N 3.48Å; D143-K145 PolarHBondContact O-N 3.15Å; D143-K145 WeakPolarHBondContact OD1-CB 3.46Å; D143-K145 WeakPolarHBondContact OD1-CG 3.4Å; D143-K145 PolarHBondContact OD1-N 2.57Å; D143-F146 HydrophobicContact CB-CD2 4.16Å; D143-F146 PolarHBondContact O-N 3.18Å; D143-A147 PolarHBondContact O-N 2.85Å; D143-A147 VanDerWaalsContact O-N 3.14Å
144	P	88	Confident	87.4	Confident	115 Å²	115	51.8 Å²	51.8	75%	0.747	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-27.1	-179.3	-27.2	33.5	0	0	0	114.1	F146	P144-F146 VanDerWaalsContact C-N 3.27Å; P144-F146 PolarHBondContact O-N 2.94Å
145	K	85.5	Confident	87.1	Confident	171 Å²	171	51 Å²	51	74%	0.743	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-29.8	176.7	-70.8	179.5	-178.9	177.5	0	113.9	D143	D143-K145 PolarHBondContact O-N 3.15Å; D143-K145 WeakPolarHBondContact OD1-CB 3.46Å; D143-K145 WeakPolarHBondContact OD1-CG 3.4Å; D143-K145 PolarHBondContact OD1-N 2.57Å
146	F	87.4	Confident	86.6	Confident	13 Å²	13	56.8 Å²	56.8	6%	0.057	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-10.4	-172.3	-57.2	-59.2	0	0	0	112.9	R130 C135 L136 V139 D143 P144 N148 Q149 L154 Q159	R130-F146 PolarHBondContact NH2-O 2.9Å; C135-F146 HydrophobicContact CB-CD2 3.9Å; C135-F146 HydrophobicContact CB-CE2 3.57Å; C135-F146 HydrophobicContact CB-CZ 4.04Å; L136-F146 HydrophobicContact CB-CZ 4.21Å; V139-F146 HydrophobicContact CG2-CD2 4.22Å; V139-F146 HydrophobicContact CG2-CE2 3.69Å; D143-F146 HydrophobicContact CB-CD2 4.16Å; D143-F146 PolarHBondContact O-N 3.18Å; P144-F146 VanDerWaalsContact C-N 3.27Å; P144-F146 PolarHBondContact O-N 2.94Å; F146-N148 PolarHBondContact O-N 2.83Å; F146-Q149 PolarHBondContact O-N 2.58Å; F146-Q149 VanDerWaalsContact O-N 3.08Å; F146-L154 HydrophobicContact CB-CD1 4.34Å; F146-L154 HydrophobicContact CB-CD2 3.78Å; F146-L154 HydrophobicContact CD1-CD2 3.52Å; F146-L154 HydrophobicContact CE1-CD2 4.45Å; F146-L154 HydrophobicContact CG-CD2 3.92Å; F146-Q159 VanDerWaalsContact CD1-OE1 3.29Å; F146-Q159 HydrophobicContact CE1-CB 4.12Å; F146-Q159 VanDerWaalsContact CE1-OE1 3.28Å
147	A	82.7	Confident	86.2	Confident	50 Å²	50	58.5 Å²	58.5	41%	0.413	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-30.9	-172.8	0	0	0	0	0	114.7	D143	D143-A147 PolarHBondContact O-N 2.85Å; D143-A147 VanDerWaalsContact O-N 3.14Å
148	N	84.1	Confident	86	Confident	163 Å²	163	61.3 Å²	61.3	87%	0.872	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-3.7	-175.8	-66.9	-10.4	0	0	0	114.7	F146	F146-N148 PolarHBondContact O-N 2.83Å
149	Q	85	Confident	86	Confident	53 Å²	53	62.8 Å²	62.8	25%	0.248	33%	0.328	C	S	.	.	S	Bend	trans	-104	146.6	-178.4	-64.2	-172.8	-13	0	0	111.4	R130 F146 Q153 L154	R130-Q149 VanDerWaalsContact CZ-O 3.31Å; R130-Q149 PolarHBondContact NH1-O 3.42Å; R130-Q149 PolarHBondContact NH2-O 3.44Å; F146-Q149 PolarHBondContact O-N 2.58Å; F146-Q149 VanDerWaalsContact O-N 3.08Å; Q149-Q153 HydrophobicContact CB-CB 4.46Å; Q149-L154 HydrophobicContact CB-CD2 4.01Å; Q149-L154 HydrophobicContact CB-CG 3.94Å
150	S	87	Confident	86	Confident	43 Å²	43	60.9 Å²	60.9	30%	0.301	32%	0.316	S	S	.	.			trans	-70.9	159.1	173.4	71.1	0	0	0	0	111.5	E152 Q153 L154	S150-E152 VanDerWaalsContact C-N 3.25Å; S150-E152 PolarHBondContact O-N 2.85Å; S150-Q153 PolarHBondContact O-N 2.9Å; S150-Q153 WeakPolarHBondContact OG-CG 3.38Å; S150-Q153 PolarHBondContact OG-N 3.43Å; S150-L154 WeakPolarHBondContact O-CG 3.44Å; S150-L154 PolarHBondContact O-N 2.78Å
151	I	85.6	Confident	85.9	Confident	3 Å²	3	58 Å²	58	2%	0.015	30%	0.301	C	S	.	.	H	α-helix	trans	-58.4	-41.7	176.7	-65.7	171.5	0	0	0	110.3	W114 W116 F120 E126 V129 R130 M133 Q153 L154 V155	W114-I151 HydrophobicContact CH2-CG2 4.5Å; W116-I151 HydrophobicContact CB-CG2 4.24Å; F120-I151 HydrophobicContact CE1-CD1 3.87Å; F120-I151 HydrophobicContact CZ-CD1 3.92Å; E126-I151 HydrophobicContact CG-CD1 4.27Å; V129-I151 HydrophobicContact CG1-CD1 3.73Å; R130-I151 HydrophobicContact CG-CD1 4.32Å; R130-I151 HydrophobicContact CG-CG1 4.27Å; M133-I151 HydrophobicContact CE-CG2 4.03Å; M133-I151 HydrophobicContact SD-CG1 4.12Å; M133-I151 HydrophobicContact SD-CG2 4.07Å; I151-Q153 PolarHBondContact O-N 3.44Å; I151-L154 PolarHBondContact O-N 3.18Å; I151-V155 WeakPolarHBondContact O-CG2 3.41Å; I151-V155 PolarHBondContact O-N 3.2Å; I151-V155 VanDerWaalsContact O-N 3.11Å
152	E	84.3	Confident	85.9	Confident	80 Å²	80	58.4 Å²	58.4	37%	0.374	30%	0.304	S	S	.	.	H	α-helix	trans	-54.8	-51.6	174.3	-73.8	60.5	-146.7	0	0	111.8	W116 S150 V155 Q156	W116-E152 HydrophobicContact CZ3-CG 3.89Å; S150-E152 VanDerWaalsContact C-N 3.25Å; S150-E152 PolarHBondContact O-N 2.85Å; E152-V155 PolarHBondContact O-N 2.82Å; E152-Q156 WeakPolarHBondContact O-CB 3.23Å; E152-Q156 VanDerWaalsContact O-CG 3.29Å; E152-Q156 WeakPolarHBondContact O-CG 3.44Å; E152-Q156 PolarHBondContact O-N 3.12Å
153	Q	85	Confident	85.9	Confident	93 Å²	93	56.9 Å²	56.9	44%	0.435	30%	0.295	S	S	.	.	H	α-helix	trans	-62.4	-46.4	-179	-76.6	173.5	-24	0	0	110.9	Q149 S150 I151 V155 Q156 D157	Q149-Q153 HydrophobicContact CB-CB 4.46Å; S150-Q153 PolarHBondContact O-N 2.9Å; S150-Q153 WeakPolarHBondContact OG-CG 3.38Å; S150-Q153 PolarHBondContact OG-N 3.43Å; I151-Q153 PolarHBondContact O-N 3.44Å; Q153-V155 PolarHBondContact O-N 3.23Å; Q153-Q156 PolarHBondContact O-N 3.23Å; Q153-D157 VanDerWaalsContact O-CB 3.22Å; Q153-D157 WeakPolarHBondContact O-CB 3.47Å; Q153-D157 VanDerWaalsContact O-CG 3.31Å; Q153-D157 PolarHBondContact O-N 3.27Å
154	L	87.5	Confident	85.8	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-56.8	-38	179	-73.8	170.5	0	0	0	112.8	M133 A141 F146 Q149 S150 I151 Q159 C160	M133-L154 HydrophobicContact CE-CB 4.35Å; M133-L154 HydrophobicContact CE-CD1 4.47Å; A141-L154 HydrophobicContact CB-CD1 3.88Å; F146-L154 HydrophobicContact CB-CD1 4.34Å; F146-L154 HydrophobicContact CB-CD2 3.78Å; F146-L154 HydrophobicContact CD1-CD2 3.52Å; F146-L154 HydrophobicContact CE1-CD2 4.45Å; F146-L154 HydrophobicContact CG-CD2 3.92Å; Q149-L154 HydrophobicContact CB-CD2 4.01Å; Q149-L154 HydrophobicContact CB-CG 3.94Å; S150-L154 WeakPolarHBondContact O-CG 3.44Å; S150-L154 PolarHBondContact O-N 2.78Å; I151-L154 PolarHBondContact O-N 3.18Å; L154-Q159 HydrophobicContact CD2-CB 4.1Å; L154-Q159 WeakPolarHBondContact O-CA 3.47Å; L154-Q159 PolarHBondContact O-N 3.42Å; L154-C160 HydrophobicContact CB-CB 4.21Å; L154-C160 PolarHBondContact O-N 3.21Å
155	V	85.9	Confident	85.6	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.006	25%	0.251	C	S	.	.	H	α-helix	trans	-79.8	-43.6	179.8	173.4	0	0	0	0	111.7	W116 M133 I151 E152 Q153 K158 P162 A203	W116-V155 HydrophobicContact CB-CG2 3.74Å; W116-V155 HydrophobicContact CD2-CG1 4.21Å; W116-V155 HydrophobicContact CG-CB 4.44Å; W116-V155 HydrophobicContact CG-CG1 4.04Å; W116-V155 HydrophobicContact CG-CG2 4.05Å; M133-V155 HydrophobicContact CE-CG2 3.99Å; I151-V155 WeakPolarHBondContact O-CG2 3.41Å; I151-V155 PolarHBondContact O-N 3.2Å; I151-V155 VanDerWaalsContact O-N 3.11Å; E152-V155 PolarHBondContact O-N 2.82Å; Q153-V155 PolarHBondContact O-N 3.23Å; V155-K158 PolarHBondContact O-N 2.86Å; V155-K158 VanDerWaalsContact O-N 3.14Å; V155-P162 HydrophobicContact CG1-CB 3.66Å; V155-A203 HydrophobicContact CG1-CB 4.02Å
156	Q	81.7	Confident	85.5	Confident	121 Å²	121	42.7 Å²	42.7	57%	0.565	22%	0.22	S	C	*	.	H	α-helix	trans	-65.5	-40.6	179.9	-73.5	-178.7	0.1	0	0	111.9	E152 Q153 K158	E152-Q156 WeakPolarHBondContact O-CB 3.23Å; E152-Q156 VanDerWaalsContact O-CG 3.29Å; E152-Q156 WeakPolarHBondContact O-CG 3.44Å; E152-Q156 PolarHBondContact O-N 3.12Å; Q153-Q156 PolarHBondContact O-N 3.23Å; Q156-K158 PolarHBondContact O-N 3.34Å
157	D	80.1	Confident	85.3	Confident	94 Å²	94	42 Å²	42	50%	0.503	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	1.8	176.5	-66.4	-11	0	0	0	112.7	Q153 Q159	Q153-D157 VanDerWaalsContact O-CB 3.22Å; Q153-D157 WeakPolarHBondContact O-CB 3.47Å; Q153-D157 VanDerWaalsContact O-CG 3.31Å; Q153-D157 PolarHBondContact O-N 3.27Å; D157-Q159 HydrophobicContact CB-CG 3.91Å; D157-Q159 PolarHBondContact O-N 3.36Å
158	K	80.5	Confident	85.3	Confident	95 Å²	95	46.1 Å²	46.1	41%	0.413	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	30.2	-177.6	-53.4	178.1	-177.9	175.2	0	113.1	F82 P102 V155 Q156	F82-K158 WeakPolarHBondContact CE2-O 3.24Å; P102-K158 HydrophobicContact CG-CB 4.2Å; V155-K158 PolarHBondContact O-N 2.86Å; V155-K158 VanDerWaalsContact O-N 3.14Å; Q156-K158 PolarHBondContact O-N 3.34Å
159	Q	86.7	Confident	85.3	Confident	46 Å²	46	41.4 Å²	41.4	22%	0.215	21%	0.205	C	C	.	.	S	Bend	trans	-81.8	-29.2	174.2	-60.9	-164.1	0.2	0	0	112	C135 L136 F146 L154 D157	C135-Q159 CarbonylContact C-O 3.33Å; C135-Q159 VanDerWaalsContact CA-O 3.29Å; C135-Q159 WeakPolarHBondContact CA-O 3.33Å; L136-Q159 HydrophobicContact CD1-CB 4.45Å; L136-Q159 WeakPolarHBondContact CG-O 3.31Å; L136-Q159 PolarHBondContact N-O 2.79Å; F146-Q159 VanDerWaalsContact CD1-OE1 3.29Å; F146-Q159 HydrophobicContact CE1-CB 4.12Å; F146-Q159 VanDerWaalsContact CE1-OE1 3.28Å; L154-Q159 HydrophobicContact CD2-CB 4.1Å; L154-Q159 WeakPolarHBondContact O-CA 3.47Å; L154-Q159 PolarHBondContact O-N 3.42Å; D157-Q159 HydrophobicContact CB-CG 3.91Å; D157-Q159 PolarHBondContact O-N 3.36Å
160	C	90.9	Very high	84.8	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-128.3	155.2	173.8	-53.4	0	0	0	0	112.2	M133 I134 C135 L154	M133-C160 HydrophobicContact CE-CB 3.58Å; I134-C160 WeakPolarHBondContact O-CA 3.5Å; C135-C160 HydrophobicContact CB-CB 4.01Å; C135-C160 WeakPolarHBondContact CB-SG 3.43Å; C135-C160 WeakPolarHBondContact SG-CB 3.43Å; C135-C160 CovalentContact SG-SG 2.03Å; C135-C160 PolarHBondContact SG-SG 2.82Å; L154-C160 HydrophobicContact CB-CB 4.21Å; L154-C160 PolarHBondContact O-N 3.21Å
161	A	90.5	Very high	84.3	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.222	C	C	.	.			trans	-64.5	131.5	177.3	0	0	0	0	0	110.3	F80 F82 I134 Y163	F80-A161 HydrophobicContact CE1-CB 3.8Å; F82-A161 HydrophobicContact CB-CB 4.11Å; F82-A161 HydrophobicContact CD1-CB 3.83Å; F82-A161 HydrophobicContact CD2-CB 4.35Å; F82-A161 HydrophobicContact CE1-CB 4.3Å; F82-A161 HydrophobicContact CG-CB 3.85Å; I134-A161 PolarHBondContact O-N 3.12Å; A161-Y163 PolarHBondContact O-N 3.5Å
162	P	88.7	Confident	84.2	Confident	9 Å²	9	46 Å²	46	6%	0.058	23%	0.232	C	C	.	.	S	Bend	trans	-64.8	-30.3	176.6	22.8	-31.6	0	0	0	112.5	F82 W116 V155	F82-P162 WeakPolarHBondContact O-CD 3.41Å; W116-P162 WeakPolarHBondContact CB-O 3.33Å; W116-P162 PolarHBondContact N-O 3.46Å; V155-P162 HydrophobicContact CG1-CB 3.66Å
163	Y	87.6	Confident	84.2	Confident	3 Å²	3	43.8 Å²	43.8	1%	0.012	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	155.2	-179.1	62.2	-92.8	0	0	0	111.1	D83 L84 W114 A161 Y165 L200 V208	D83-Y163 WeakPolarHBondContact CA-OH 3.46Å; D83-Y163 PolarHBondContact OD1-OH 2.79Å; L84-Y163 PolarHBondContact N-OH 3.33Å; W114-Y163 CarbonylContact O-C 3.4Å; W114-Y163 VanDerWaalsContact O-CA 3.29Å; W114-Y163 WeakPolarHBondContact O-CA 3.44Å; A161-Y163 PolarHBondContact O-N 3.5Å; Y163-Y165 HydrophobicContact CD2-CD1 4.15Å; Y163-Y165 AromaticContact CE2-CD1 3.93Å; Y163-Y165 HydrophobicContact CE2-CD1 3.93Å; Y163-Y165 HydrophobicContact CE2-CE1 4.37Å; Y163-L200 HydrophobicContact CD2-CD1 4.16Å; Y163-L200 HydrophobicContact CG-CB 4.34Å; Y163-V208 HydrophobicContact CD1-CG2 3.81Å; Y163-V208 HydrophobicContact CE1-CG2 3.52Å; Y163-V208 HydrophobicContact CG-CG2 4.46Å
164	I	87.5	Confident	84.3	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	139.7	174.4	-51.5	-134.6	0	0	0	108.2	P110 Y112 Y113 W114 L132 I134	P110-I164 HydrophobicContact CB-CG2 3.49Å; P110-I164 VanDerWaalsContact CB-CG2 3.49Å; P110-I164 HydrophobicContact CG-CG2 3.53Å; Y112-I164 HydrophobicContact CD2-CG2 4.2Å; Y112-I164 HydrophobicContact CE2-CB 4.12Å; Y112-I164 HydrophobicContact CE2-CD1 4.16Å; Y112-I164 HydrophobicContact CE2-CG1 4.4Å; Y112-I164 HydrophobicContact CE2-CG2 3.82Å; Y113-I164 WeakPolarHBondContact CA-O 3.11Å; W114-I164 HydrophobicContact CB-CB 4.14Å; W114-I164 HydrophobicContact CB-CG1 4.32Å; W114-I164 HydrophobicContact CE3-CG1 4.04Å; W114-I164 PolarHBondContact N-O 2.93Å; W114-I164 VanDerWaalsContact N-O 3.08Å; W114-I164 PolarHBondContact O-N 3.01Å; L132-I164 WeakPolarHBondContact O-CD1 3.46Å; I134-I164 HydrophobicContact CB-CD1 3.96Å; I134-I164 HydrophobicContact CD1-CD1 3.57Å; I134-I164 HydrophobicContact CG1-CD1 3.46Å; I134-I164 VanDerWaalsContact CG1-CD1 3.46Å
165	Y	83.5	Confident	83.9	Confident	9 Å²	9	40.8 Å²	40.8	4%	0.035	21%	0.207	C	C	.	.			trans	-120.1	143.9	177.3	50	-90	0	0	0	110.2	F80 L84 Y112 Y163 S167 C174 P176	F80-Y165 HydrophobicContact CE2-CD1 4.34Å; F80-Y165 AromaticContact CE2-CE1 3.74Å; F80-Y165 HydrophobicContact CE2-CE1 3.74Å; F80-Y165 HydrophobicContact CE2-CE2 4.31Å; F80-Y165 AromaticContact CE2-CZ 3.73Å; F80-Y165 HydrophobicContact CZ-CD1 4.45Å; F80-Y165 AromaticContact CZ-CE1 3.92Å; F80-Y165 HydrophobicContact CZ-CE1 3.92Å; L84-Y165 HydrophobicContact CB-CE1 4.16Å; L84-Y165 HydrophobicContact CD2-CE1 4.38Å; L84-Y165 HydrophobicContact CD2-CE2 4.17Å; Y112-Y165 CarbonylContact O-C 3.48Å; Y112-Y165 VanDerWaalsContact O-C 3.24Å; Y163-Y165 HydrophobicContact CD2-CD1 4.15Å; Y163-Y165 AromaticContact CE2-CD1 3.93Å; Y163-Y165 HydrophobicContact CE2-CD1 3.93Å; Y163-Y165 HydrophobicContact CE2-CE1 4.37Å; Y165-S167 PolarHBondContact O-N 2.98Å; Y165-S167 VanDerWaalsContact O-N 3.13Å; Y165-C174 PolarHBondContact OH-O 3.5Å; Y165-P176 HydrophobicContact CD2-CB 4.12Å; Y165-P176 HydrophobicContact CD2-CG 3.53Å; Y165-P176 HydrophobicContact CE2-CG 3.76Å; Y165-P176 HydrophobicContact CG-CG 4.21Å
166	H	83.3	Confident	83.4	Confident	20 Å²	20	41.1 Å²	41.1	9%	0.093	21%	0.209	C	C	.	.			trans	-60.1	121.3	170.4	-174.1	-35.1	0	0	0	108.9	E111 Y112 Y113 P176 S177	E111-H166 PolarHBondContact O-CD2 3.49Å; Y112-H166 PolarHBondContact O-N 2.99Å; Y112-H166 VanDerWaalsContact O-N 3.12Å; Y113-H166 HydrophobicContact CD2-CB 4.06Å; Y113-H166 HydrophobicContact CE1-CB 4.27Å; Y113-H166 HydrophobicContact CE2-CB 3.51Å; H166-P176 VanDerWaalsContact O-CA 3.3Å; H166-P176 WeakPolarHBondContact O-CA 3.32Å; H166-S177 PolarHBondContact CE1-OG 3.22Å; H166-S177 PolarHBondContact ND1-OG 3.14Å; H166-S177 PolarHBondContact O-N 2.86Å; H166-S177 VanDerWaalsContact O-N 3.11Å
167	S	83.2	Confident	82.8	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	158.8	-172.3	59.7	0	0	0	0	111.9	C109 P110 Y165 I175	C109-S167 WeakPolarHBondContact CB-OG 3.42Å; P110-S167 VanDerWaalsContact CD-OG 3.27Å; P110-S167 WeakPolarHBondContact CD-OG 3.46Å; P110-S167 PolarHBondContact O-N 3.33Å; P110-S167 PolarHBondContact O-OG 3.28Å; P110-S167 VanDerWaalsContact O-OG 3.07Å; Y165-S167 PolarHBondContact O-N 2.98Å; Y165-S167 VanDerWaalsContact O-N 3.13Å; S167-I175 CarbonylContact C-O 3.24Å; S167-I175 WeakPolarHBondContact CA-O 3.45Å; S167-I175 VanDerWaalsContact CB-O 3.31Å; S167-I175 WeakPolarHBondContact CB-O 3.34Å
168	K	83.8	Confident	81.9	Confident	136 Å²	136	33.5 Å²	33.5	59%	0.591	17%	0.173	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-123.9	154.2	167.6	-77.1	-171.1	175.6	-167.9	0	109	I175	K168-I175 PolarHBondContact N-O 3.48Å; K168-I175 PolarHBondContact O-N 3.34Å
169	S	83.4	Confident	80.6	Confident	64 Å²	64	29.4 Å²	29.4	45%	0.448	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	129.2	177.2	63.9	0	0	0	0	111	R173	S169-R173 CarbonylContact C-O 3.3Å; S169-R173 WeakPolarHBondContact CA-O 3.5Å
170	M	75.3	Confident	78.7	Confident	32 Å²	32	31.9 Å²	31.9	16%	0.158	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	117.6	176.1	-172.6	-177.7	-172	0	0	109.2	G172 R173 I175 V220 L221 T224	M170-G172 PolarHBondContact O-N 3Å; M170-R173 PolarHBondContact N-O 3.36Å; M170-R173 PolarHBondContact O-N 3.16Å; M170-I175 HydrophobicContact CB-CD1 4.32Å; M170-I175 HydrophobicContact CB-CG1 4.41Å; M170-I175 HydrophobicContact SD-CD1 4.1Å; M170-V220 HydrophobicContact CE-CG1 3.56Å; M170-V220 HydrophobicContact SD-CG1 3.87Å; M170-L221 HydrophobicContact CE-CD2 3.93Å; M170-L221 HydrophobicContact SD-CD2 3.94Å; M170-T224 HydrophobicContact CE-CG2 3.1Å; M170-T224 WeakPolarHBondContact CE-OG1 3.18Å
171	L	76.1	Confident	76.7	Confident	140 Å²	140	36.4 Å²	36.4	73%	0.733	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.9	43.9	-172.9	-62.5	173.1	0	0	0	112.6	R173	L171-R173 PolarHBondContact O-N 2.98Å; L171-R173 PolarHBondContact O-NH1 3.06Å
172	G	82.2	Confident	74.7	Confident	22 Å²	22	36.9 Å²	36.9	23%	0.227	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.3	4.4	-177.6	0	0	0	0	0	115.4	P61 Y78 L79 M170	P61-G172 WeakPolarHBondContact CG-O 3.24Å; Y78-G172 CarbonylContact C-O 3.54Å; Y78-G172 WeakPolarHBondContact CA-O 3.44Å; L79-G172 PolarHBondContact N-O 3.44Å; M170-G172 PolarHBondContact O-N 3Å
173	R	85	Confident	72.6	Confident	34 Å²	34	41.5 Å²	41.5	13%	0.128	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	144.8	-179.6	-62.4	172.9	178.2	77.6	-3.2	110.8	P61 L79 F81 V95 V96 S169 M170 L171 I175	P61-R173 HydrophobicContact CB-CG 4.2Å; L79-R173 HydrophobicContact CB-CG 4.32Å; F81-R173 HydrophobicContact CE2-CB 4.32Å; V95-R173 WeakPolarHBondContact O-CD 3.39Å; V95-R173 PolarHBondContact O-NE 3.21Å; V96-R173 PolarHBondContact O-NH2 3.08Å; S169-R173 CarbonylContact C-O 3.3Å; S169-R173 WeakPolarHBondContact CA-O 3.5Å; M170-R173 PolarHBondContact N-O 3.36Å; M170-R173 PolarHBondContact O-N 3.16Å; L171-R173 PolarHBondContact O-N 2.98Å; L171-R173 PolarHBondContact O-NH1 3.06Å; R173-I175 HydrophobicContact CB-CG1 4.38Å; R173-I175 PolarHBondContact O-N 3.26Å
174	C	87.5	Confident	70.5	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	112.2	174.9	-60.8	0	0	0	0	109.9	L79 F80 C109 Y165	L79-C174 PolarHBondContact O-N 3.43Å; F80-C174 HydrophobicContact CD2-CB 4.13Å; C109-C174 WeakPolarHBondContact CA-SG 3.23Å; C109-C174 HydrophobicContact CB-CB 3.83Å; C109-C174 WeakPolarHBondContact CB-SG 3.24Å; C109-C174 WeakPolarHBondContact SG-CA 3.34Å; C109-C174 WeakPolarHBondContact SG-CB 3.46Å; C109-C174 CovalentContact SG-SG 2.05Å; C109-C174 PolarHBondContact SG-SG 3.46Å; Y165-C174 PolarHBondContact OH-O 3.5Å
175	I	79.5	Confident	68.8	Low	31 Å²	31	50 Å²	50	16%	0.159	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	139.8	-177.5	-60.4	-162.5	0	0	0	109.6	S167 K168 M170 R173 S177	S167-I175 CarbonylContact C-O 3.24Å; S167-I175 WeakPolarHBondContact CA-O 3.45Å; S167-I175 VanDerWaalsContact CB-O 3.31Å; S167-I175 WeakPolarHBondContact CB-O 3.34Å; K168-I175 PolarHBondContact N-O 3.48Å; K168-I175 PolarHBondContact O-N 3.34Å; M170-I175 HydrophobicContact CB-CD1 4.32Å; M170-I175 HydrophobicContact CB-CG1 4.41Å; M170-I175 HydrophobicContact SD-CD1 4.1Å; R173-I175 HydrophobicContact CB-CG1 4.38Å; R173-I175 PolarHBondContact O-N 3.26Å; I175-S177 PolarHBondContact O-N 3.4Å
176	P	75.7	Confident	67.4	Low	8 Å²	8	52 Å²	52	5%	0.052	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.9	134.2	-179.1	-24.8	30.3	0	0	0	113.8	L84 Y165 H166 V179 V213 R217	L84-P176 VanDerWaalsContact CD2-CD 3.44Å; L84-P176 HydrophobicContact CD2-CG 3.67Å; Y165-P176 HydrophobicContact CD2-CB 4.12Å; Y165-P176 HydrophobicContact CD2-CG 3.53Å; Y165-P176 HydrophobicContact CE2-CG 3.76Å; Y165-P176 HydrophobicContact CG-CG 4.21Å; H166-P176 VanDerWaalsContact O-CA 3.3Å; H166-P176 WeakPolarHBondContact O-CA 3.32Å; P176-V179 HydrophobicContact CB-CG2 4.15Å; P176-V213 HydrophobicContact CB-CG1 4.45Å; P176-V213 HydrophobicContact CG-CG1 3.75Å; P176-R217 PolarHBondContact O-NE 2.92Å
177	S	68.2	Low	66.2	Low	21 Å²	21	54.7 Å²	54.7	15%	0.147	31%	0.311	C	S	.	.	S	Bend	trans	-94.3	-19.7	-174	64.4	0	0	0	0	114.8	H166 I175 R217	H166-S177 PolarHBondContact CE1-OG 3.22Å; H166-S177 PolarHBondContact ND1-OG 3.14Å; H166-S177 PolarHBondContact O-N 2.86Å; H166-S177 VanDerWaalsContact O-N 3.11Å; I175-S177 PolarHBondContact O-N 3.4Å; S177-R217 PolarHBondContact O-NH2 3.15Å
178	Q	61.8	Low	65.2	Low	34 Å²	34	54.9 Å²	54.9	16%	0.159	31%	0.313	C	S	.	.			trans	-128.6	66.8	-170.9	-64.8	-179.4	10.5	0	0	113.4	E193	Q178-E193 PolarHBondContact NE2-OE1 3.06Å
179	V	52.9	Low	64.3	Low	8 Å²	8	51 Å²	51	5%	0.048	30%	0.297	C	S	.	.			trans	-87.4	-19.2	-176.8	167.3	0	0	0	0	114.7	P176 R181 L182 M183 A214 R217	P176-V179 HydrophobicContact CB-CG2 4.15Å; V179-R181 PolarHBondContact O-N 3.23Å; V179-R181 VanDerWaalsContact O-N 3.15Å; V179-L182 HydrophobicContact CB-CD1 4.25Å; V179-L182 HydrophobicContact CG1-CB 4.38Å; V179-L182 HydrophobicContact CG2-CD1 3.67Å; V179-L182 WeakPolarHBondContact O-CA 3.44Å; V179-L182 WeakPolarHBondContact O-CB 3.18Å; V179-L182 PolarHBondContact O-N 3.14Å; V179-M183 PolarHBondContact O-N 3.38Å; V179-A214 HydrophobicContact CG1-CB 3.24Å; V179-R217 VanDerWaalsContact CB-CD 3.42Å; V179-R217 HydrophobicContact CG2-CB 4.28Å; V179-R217 HydrophobicContact CG2-CG 4.27Å
180	S	45.9	Very low	63.4	Low	99 Å²	99	48.2 Å²	48.2	69%	0.692	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-30.3	172.1	47.2	0	0	0	0	111.9
181	R	49.1	Very low	63	Low	95 Å²	95	51.6 Å²	51.6	36%	0.358	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-25.6	173.1	-69.1	-172.7	177.6	135.9	-11.3	114.2	V179 M183 G184 R191 D192 E193	V179-R181 PolarHBondContact O-N 3.23Å; V179-R181 VanDerWaalsContact O-N 3.15Å; R181-M183 PolarHBondContact O-N 3.04Å; R181-G184 PolarHBondContact O-N 3.07Å; R181-R191 HydrophobicContact CB-CB 4.47Å; R181-D192 WeakPolarHBondContact CD-O 3.31Å; R181-E193 PolarHBondContact NH2-O 2.87Å; R181-E193 VanDerWaalsContact NH2-O 3.17Å
182	L	48.9	Very low	62.5	Low	9 Å²	9	46.6 Å²	46.6	5%	0.047	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-16.5	171.4	-76.6	155.4	0	0	0	112.8	V179 V190 G210	V179-L182 HydrophobicContact CB-CD1 4.25Å; V179-L182 HydrophobicContact CG1-CB 4.38Å; V179-L182 HydrophobicContact CG2-CD1 3.67Å; V179-L182 WeakPolarHBondContact O-CA 3.44Å; V179-L182 WeakPolarHBondContact O-CB 3.18Å; V179-L182 PolarHBondContact O-N 3.14Å; L182-V190 HydrophobicContact CD2-CB 3.67Å; L182-V190 HydrophobicContact CD2-CG1 3.85Å; L182-V190 HydrophobicContact CD2-CG2 3.24Å; L182-G210 VanDerWaalsContact CD2-CA 3.48Å
183	M	44.6	Very low	61.5	Low	106 Å²	106	51.2 Å²	51.2	52%	0.522	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	18.1	173.3	-70.1	-139.7	-70.2	0	0	113.7	V179 R181 N185 G186 A214	V179-M183 PolarHBondContact O-N 3.38Å; R181-M183 PolarHBondContact O-N 3.04Å; M183-N185 PolarHBondContact O-N 3.2Å; M183-G186 PolarHBondContact O-N 3.3Å; M183-G186 VanDerWaalsContact O-N 3.08Å; M183-A214 HydrophobicContact CG-CB 3.85Å; M183-A214 HydrophobicContact SD-CB 4.39Å
184	G	42.9	Very low	60.6	Low	20 Å²	20	55.1 Å²	55.1	21%	0.206	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-48.9	102.5	174.6	0	0	0	0	0	111.4	R181 G186 T187	R181-G184 PolarHBondContact O-N 3.07Å; G184-G186 PolarHBondContact O-N 3.31Å; G184-G186 VanDerWaalsContact O-N 3.13Å; G184-T187 PolarHBondContact O-N 3.36Å; G184-T187 PolarHBondContact O-OG1 3.01Å
185	N	51.1	Low	59.5	Low	163 Å²	163	56.8 Å²	56.8	87%	0.872	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	49.3	30.9	-176.1	-64.4	-5.5	0	0	0	115.8	M183 T187	M183-N185 PolarHBondContact O-N 3.2Å; N185-T187 HydrophobicContact CB-CG2 4.46Å; N185-T187 PolarHBondContact O-N 2.89Å
186	G	54.2	Low	59.2	Low	49 Å²	49	62.7 Å²	62.7	51%	0.505	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	69.1	14	179	0	0	0	0	0	115.1	M183 G184	M183-G186 PolarHBondContact O-N 3.3Å; M183-G186 VanDerWaalsContact O-N 3.08Å; G184-G186 PolarHBondContact O-N 3.31Å; G184-G186 VanDerWaalsContact O-N 3.13Å
187	T	58.8	Low	59	Low	77 Å²	77	67.2 Å²	67.2	47%	0.472	36%	0.363	S	S	.	.	S	Bend	trans	-85.1	-11.9	-175.7	61.1	0	0	0	0	114.5	G184 N185 Q189	G184-T187 PolarHBondContact O-N 3.36Å; G184-T187 PolarHBondContact O-OG1 3.01Å; N185-T187 HydrophobicContact CB-CG2 4.46Å; N185-T187 PolarHBondContact O-N 2.89Å; T187-Q189 VanDerWaalsContact C-N 3.26Å; T187-Q189 PolarHBondContact O-N 3.39Å
188	G	61.7	Low	59.1	Low	4 Å²	4	67.8 Å²	67.8	4%	0.041	36%	0.364	C	S	.	.			trans	73.3	10.4	-178	0	0	0	0	0	115	N209 G210	G188-N209 WeakPolarHBondContact CA-OD1 3.33Å; G188-G210 WeakPolarHBondContact O-CA 3.44Å; G188-G210 PolarHBondContact O-N 3.04Å
189	Q	65.9	Low	59.8	Low	54 Å²	54	70.1 Å²	70.1	25%	0.252	38%	0.377	S	S	.	.			trans	-81	130.3	-178.7	-64.7	-179.4	-4.4	0	0	112	T187	T187-Q189 VanDerWaalsContact C-N 3.26Å; T187-Q189 PolarHBondContact O-N 3.39Å
190	V	64.6	Low	60.9	Low	7 Å²	7	70.1 Å²	70.1	4%	0.042	38%	0.377	C	S	.	.			trans	-75.2	129.6	174.9	-172.2	0	0	0	0	109.4	Y113 L182 R197 I198 L200	Y113-V190 HydrophobicContact CD1-CG1 4.32Å; Y113-V190 HydrophobicContact CE1-CG1 3.94Å; L182-V190 HydrophobicContact CD2-CB 3.67Å; L182-V190 HydrophobicContact CD2-CG1 3.85Å; L182-V190 HydrophobicContact CD2-CG2 3.24Å; V190-R197 WeakPolarHBondContact O-CA 3.42Å; V190-I198 HydrophobicContact CB-CB 4.47Å; V190-I198 HydrophobicContact CG1-CB 4.25Å; V190-I198 HydrophobicContact CG1-CD1 4.34Å; V190-I198 PolarHBondContact O-N 3.1Å; V190-L200 HydrophobicContact CB-CD1 4.36Å; V190-L200 HydrophobicContact CB-CG 4.48Å; V190-L200 HydrophobicContact CG1-CD1 4.05Å; V190-L200 HydrophobicContact CG1-CG 4.41Å; V190-L200 HydrophobicContact CG2-CD1 3.79Å; V190-L200 HydrophobicContact CG2-CG 4.13Å
191	R	65.6	Low	62.5	Low	102 Å²	102	67.4 Å²	67.4	39%	0.385	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-127.1	143.8	175.4	-66.4	-177.5	-179.8	-162.4	1.6	110.8	R181 G195 K196	R181-R191 HydrophobicContact CB-CB 4.47Å; R191-G195 WeakPolarHBondContact CD-O 3.28Å; R191-K196 CarbonylContact C-O 3.6Å; R191-K196 VanDerWaalsContact CA-O 3.23Å; R191-K196 WeakPolarHBondContact CA-O 3.46Å
192	D	66	Low	63.8	Low	35 Å²	35	63.9 Å²	63.9	19%	0.187	34%	0.341	C	S	.	.			trans	-78.3	-171.3	178.4	77.7	-13.3	0	0	0	112.5	R181 T194 G195 K196 I198	R181-D192 WeakPolarHBondContact CD-O 3.31Å; D192-T194 PolarHBondContact O-N 3.02Å; D192-T194 WeakPolarHBondContact OD1-CA 3.31Å; D192-T194 PolarHBondContact OD1-N 3.03Å; D192-T194 PolarHBondContact OD1-OG1 3.12Å; D192-T194 PolarHBondContact OD2-OG1 3.48Å; D192-G195 PolarHBondContact O-N 3.43Å; D192-G195 PolarHBondContact OD1-N 3.49Å; D192-K196 PolarHBondContact N-O 3.09Å; D192-K196 WeakPolarHBondContact OD1-CB 3.3Å; D192-K196 PolarHBondContact OD1-N 3.08Å; D192-I198 HydrophobicContact CB-CD1 3.48Å; D192-I198 VanDerWaalsContact CB-CD1 3.48Å; D192-I198 HydrophobicContact CB-CG1 3.92Å
193	E	61.1	Low	65	Low	119 Å²	119	65.2 Å²	65.2	56%	0.556	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-24.3	177.8	-57.9	-164.1	151.5	0	0	114.9	Q178 R181	Q178-E193 PolarHBondContact NE2-OE1 3.06Å; R181-E193 PolarHBondContact NH2-O 2.87Å; R181-E193 VanDerWaalsContact NH2-O 3.17Å
194	T	65.7	Low	66.6	Low	117 Å²	117	68 Å²	68	72%	0.718	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-5.5	178.6	72.6	0	0	0	0	113	D192	D192-T194 PolarHBondContact O-N 3.02Å; D192-T194 WeakPolarHBondContact OD1-CA 3.31Å; D192-T194 PolarHBondContact OD1-N 3.03Å; D192-T194 PolarHBondContact OD1-OG1 3.12Å; D192-T194 PolarHBondContact OD2-OG1 3.48Å
195	G	65.4	Low	68.2	Low	34 Å²	34	70.3 Å²	70.3	35%	0.351	37%	0.37	S	S	.	.	S	Bend	trans	86.5	4.8	-177.3	0	0	0	0	0	114.3	R191 D192	R191-G195 WeakPolarHBondContact CD-O 3.28Å; D192-G195 PolarHBondContact O-N 3.43Å; D192-G195 PolarHBondContact OD1-N 3.49Å
196	K	72.1	Confident	69.5	Low	155 Å²	155	68 Å²	68	67%	0.674	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-74.9	136.8	176.9	-167.4	176.6	-178.9	-179.8	0	110.2	R191 D192 I198	R191-K196 CarbonylContact C-O 3.6Å; R191-K196 VanDerWaalsContact CA-O 3.23Å; R191-K196 WeakPolarHBondContact CA-O 3.46Å; D192-K196 PolarHBondContact N-O 3.09Å; D192-K196 WeakPolarHBondContact OD1-CB 3.3Å; D192-K196 PolarHBondContact OD1-N 3.08Å; K196-I198 PolarHBondContact O-N 3.44Å
197	R	71.4	Confident	70.5	Confident	103 Å²	103	70.4 Å²	70.4	39%	0.389	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	-67.6	127.8	176.9	-174.6	178	176	-165.9	-1.5	110	V190 E207	V190-R197 WeakPolarHBondContact O-CA 3.42Å; R197-E207 IonicContact CZ-OE1 2.69Å; R197-E207 IonicContact CZ-OE2 3.79Å; R197-E207 VanDerWaalsContact NH2-CD 3.29Å; R197-E207 IonicContact NH2-OE1 3.74Å; R197-E207 PolarHBondContact NH2-OE1 2.74Å; R197-E207 VanDerWaalsContact NH2-OE1 3.09Å; R197-E207 IonicContact NH2-OE2 3.15Å; R197-E207 PolarHBondContact NH2-OE2 3.26Å
198	I	72	Confident	71.1	Confident	34 Å²	34	67.2 Å²	67.2	17%	0.174	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-102.9	121	173.1	-55.9	165.3	0	0	0	107.9	Y113 V190 D192 K196 L200	Y113-I198 HydrophobicContact CD1-CD1 3.97Å; Y113-I198 HydrophobicContact CD2-CD1 3.47Å; Y113-I198 VanDerWaalsContact CD2-CD1 3.47Å; Y113-I198 HydrophobicContact CE2-CD1 4.08Å; Y113-I198 HydrophobicContact CG-CD1 3.4Å; Y113-I198 VanDerWaalsContact CG-CD1 3.4Å; V190-I198 HydrophobicContact CB-CB 4.47Å; V190-I198 HydrophobicContact CG1-CB 4.25Å; V190-I198 HydrophobicContact CG1-CD1 4.34Å; V190-I198 PolarHBondContact O-N 3.1Å; D192-I198 HydrophobicContact CB-CD1 3.48Å; D192-I198 VanDerWaalsContact CB-CD1 3.48Å; D192-I198 HydrophobicContact CB-CG1 3.92Å; K196-I198 PolarHBondContact O-N 3.44Å; I198-L200 HydrophobicContact CG2-CD2 3.71Å; I198-L200 HydrophobicContact CG2-CG 4.21Å; I198-L200 PolarHBondContact O-N 3.4Å
199	L	75.8	Confident	71.5	Confident	82 Å²	82	69.7 Å²	69.7	43%	0.429	35%	0.345	S	S	.	.			trans	-83.1	94.9	171.3	-92.3	99.1	0	0	0	110.3	S115 E207	S115-L199 WeakPolarHBondContact CB-O 3.26Å; S115-L199 PolarHBondContact OG-O 3.43Å; S115-L199 VanDerWaalsContact OG-O 3.09Å; L199-E207 HydrophobicContact CD2-CG 4.09Å; L199-E207 WeakPolarHBondContact CD2-OE1 3.46Å
200	L	76.3	Confident	71.4	Confident	9 Å²	9	67.2 Å²	67.2	5%	0.047	33%	0.334	C	S	.	.			trans	-82.6	122.5	165.9	-57	-176.7	0	0	0	108.5	Y113 Y163 V190 I198 E207 V208	Y113-L200 HydrophobicContact CD1-CD1 4.5Å; Y163-L200 HydrophobicContact CD2-CD1 4.16Å; Y163-L200 HydrophobicContact CG-CB 4.34Å; V190-L200 HydrophobicContact CB-CD1 4.36Å; V190-L200 HydrophobicContact CB-CG 4.48Å; V190-L200 HydrophobicContact CG1-CD1 4.05Å; V190-L200 HydrophobicContact CG1-CG 4.41Å; V190-L200 HydrophobicContact CG2-CD1 3.79Å; V190-L200 HydrophobicContact CG2-CG 4.13Å; I198-L200 HydrophobicContact CG2-CD2 3.71Å; I198-L200 HydrophobicContact CG2-CG 4.21Å; I198-L200 PolarHBondContact O-N 3.4Å; L200-E207 WeakPolarHBondContact O-CA 3.37Å; L200-V208 HydrophobicContact CB-CB 4.08Å; L200-V208 HydrophobicContact CB-CG2 4.09Å; L200-V208 PolarHBondContact O-N 3.41Å
201	K	78.7	Confident	71.3	Confident	41 Å²	41	70.6 Å²	70.6	18%	0.178	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-115.2	138	177.8	-67.3	-162.7	-179.1	-169.7	0	110.7	S115 K117 D205 Q206	S115-K201 PolarHBondContact OG-N 3.19Å; K117-K201 HydrophobicContact CB-CD 4.25Å; K117-K201 HydrophobicContact CG-CD 4Å; K201-D205 WeakPolarHBondContact CD-OD1 3.47Å; K201-D205 IonicContact NZ-OD1 2.97Å; K201-D205 PolarHBondContact NZ-OD1 3.31Å; K201-D205 IonicContact NZ-OD2 3.63Å; K201-D205 PolarHBondContact NZ-OD2 2.83Å; K201-Q206 CarbonylContact C-O 3.59Å; K201-Q206 VanDerWaalsContact CA-O 3.32Å; K201-Q206 WeakPolarHBondContact CA-O 3.44Å
202	N	76.5	Confident	71.1	Confident	22 Å²	22	68.7 Å²	68.7	12%	0.118	35%	0.346	C	S	.	.			trans	-74.5	179.6	172.4	72	13.3	0	0	0	111.1	W116 K204 D205 Q206 V208	W116-N202 PolarHBondContact NE1-O 3.37Å; W116-N202 VanDerWaalsContact NE1-O 3.11Å; N202-K204 PolarHBondContact O-N 2.97Å; N202-K204 VanDerWaalsContact O-N 3.15Å; N202-K204 WeakPolarHBondContact OD1-CA 3.32Å; N202-K204 WeakPolarHBondContact OD1-CB 3.38Å; N202-K204 PolarHBondContact OD1-N 3.41Å; N202-D205 PolarHBondContact O-N 3.43Å; N202-D205 VanDerWaalsContact O-N 3.07Å; N202-D205 PolarHBondContact OD1-N 2.73Å; N202-Q206 PolarHBondContact N-O 3.45Å; N202-Q206 PolarHBondContact ND2-OE1 3.08Å; N202-Q206 PolarHBondContact OD1-N 2.96Å; N202-Q206 PolarHBondContact OD1-O 2.95Å; N202-V208 HydrophobicContact CB-CG2 4.42Å
203	A	75	Confident	70.8	Confident	36 Å²	36	67.7 Å²	67.7	30%	0.298	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-15.4	178.8	0	0	0	0	0	114	V155	V155-A203 HydrophobicContact CG1-CB 4.02Å
204	K	77	Confident	70.7	Confident	164 Å²	164	62.3 Å²	62.3	71%	0.713	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	14.6	175.7	-61.1	-176.1	179	-178.2	0	112.9	N202 Q206	N202-K204 PolarHBondContact O-N 2.97Å; N202-K204 VanDerWaalsContact O-N 3.15Å; N202-K204 WeakPolarHBondContact OD1-CA 3.32Å; N202-K204 WeakPolarHBondContact OD1-CB 3.38Å; N202-K204 PolarHBondContact OD1-N 3.41Å; K204-Q206 HydrophobicContact CB-CG 4.24Å; K204-Q206 PolarHBondContact O-N 2.87Å
205	D	78.2	Confident	70.4	Confident	69 Å²	69	63.9 Å²	63.9	37%	0.369	31%	0.313	S	S	.	.	S	Bend	trans	61.6	18.9	-177.2	-157.3	55.8	0	0	0	114.8	K117 K201 N202	K117-D205 VanDerWaalsContact CE-OD1 3.22Å; K117-D205 WeakPolarHBondContact CE-OD1 3.5Å; K117-D205 WeakPolarHBondContact CG-OD1 3.25Å; K201-D205 WeakPolarHBondContact CD-OD1 3.47Å; K201-D205 IonicContact NZ-OD1 2.97Å; K201-D205 PolarHBondContact NZ-OD1 3.31Å; K201-D205 IonicContact NZ-OD2 3.63Å; K201-D205 PolarHBondContact NZ-OD2 2.83Å; N202-D205 PolarHBondContact O-N 3.43Å; N202-D205 VanDerWaalsContact O-N 3.07Å; N202-D205 PolarHBondContact OD1-N 2.73Å
206	Q	78.4	Confident	69.8	Low	116 Å²	116	63.1 Å²	63.1	54%	0.542	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-91	141.8	176.2	-55.6	175.9	-48.4	0	0	110.4	K201 N202 K204 V208	K201-Q206 CarbonylContact C-O 3.59Å; K201-Q206 VanDerWaalsContact CA-O 3.32Å; K201-Q206 WeakPolarHBondContact CA-O 3.44Å; N202-Q206 PolarHBondContact N-O 3.45Å; N202-Q206 PolarHBondContact ND2-OE1 3.08Å; N202-Q206 PolarHBondContact OD1-N 2.96Å; N202-Q206 PolarHBondContact OD1-O 2.95Å; K204-Q206 HydrophobicContact CB-CG 4.24Å; K204-Q206 PolarHBondContact O-N 2.87Å; Q206-V208 PolarHBondContact O-N 2.92Å
207	E	73.6	Confident	69.1	Low	98 Å²	98	58.5 Å²	58.5	46%	0.458	28%	0.281	S	S	.	.	B	Isolated β-bridge	trans	-64.1	132.8	174.5	-72.4	-169.3	-167.9	0	0	111.2	R197 L199 L200	R197-E207 IonicContact CZ-OE1 2.69Å; R197-E207 IonicContact CZ-OE2 3.79Å; R197-E207 VanDerWaalsContact NH2-CD 3.29Å; R197-E207 IonicContact NH2-OE1 3.74Å; R197-E207 PolarHBondContact NH2-OE1 2.74Å; R197-E207 VanDerWaalsContact NH2-OE1 3.09Å; R197-E207 IonicContact NH2-OE2 3.15Å; R197-E207 PolarHBondContact NH2-OE2 3.26Å; L199-E207 HydrophobicContact CD2-CG 4.09Å; L199-E207 WeakPolarHBondContact CD2-OE1 3.46Å; L200-E207 WeakPolarHBondContact O-CA 3.37Å
208	V	71.4	Confident	68.3	Low	11 Å²	11	59.3 Å²	59.3	7%	0.067	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-74.2	124.8	177	175.8	0	0	0	0	109.1	E85 Y163 L200 N202 Q206 G210	E85-V208 HydrophobicContact CB-CG1 4.17Å; E85-V208 VanDerWaalsContact OE2-CA 3.28Å; E85-V208 WeakPolarHBondContact OE2-CA 3.41Å; E85-V208 VanDerWaalsContact OE2-CG1 3.26Å; E85-V208 WeakPolarHBondContact OE2-CG1 3.42Å; Y163-V208 HydrophobicContact CD1-CG2 3.81Å; Y163-V208 HydrophobicContact CE1-CG2 3.52Å; Y163-V208 HydrophobicContact CG-CG2 4.46Å; L200-V208 HydrophobicContact CB-CB 4.08Å; L200-V208 HydrophobicContact CB-CG2 4.09Å; L200-V208 PolarHBondContact O-N 3.41Å; N202-V208 HydrophobicContact CB-CG2 4.42Å; Q206-V208 PolarHBondContact O-N 2.92Å; V208-G210 PolarHBondContact O-N 3.28Å
209	N	69.7	Low	67.6	Low	56 Å²	56	63.1 Å²	63.1	30%	0.299	31%	0.307	S	S	.	.			trans	-81.5	109.5	179.6	-171.8	-12.2	0	0	0	110.6	E85 G188 M211 E212	E85-N209 PolarHBondContact OE2-N 3.42Å; E85-N209 VanDerWaalsContact OE2-N 3.14Å; G188-N209 WeakPolarHBondContact CA-OD1 3.33Å; N209-M211 PolarHBondContact O-N 3.46Å; N209-M211 VanDerWaalsContact O-N 3.13Å; N209-M211 WeakPolarHBondContact OD1-CB 3.49Å; N209-M211 PolarHBondContact OD1-N 3.31Å; N209-E212 PolarHBondContact O-N 2.88Å
210	G	65	Low	66.6	Low	1 Å²	1	61.8 Å²	61.8	1%	0.01	30%	0.302	C	S	.	.	H	α-helix	trans	-61.4	-19.7	178.2	0	0	0	0	0	114.9	L182 G188 V208 A214	L182-G210 VanDerWaalsContact CD2-CA 3.48Å; G188-G210 WeakPolarHBondContact O-CA 3.44Å; G188-G210 PolarHBondContact O-N 3.04Å; V208-G210 PolarHBondContact O-N 3.28Å; G210-A214 VanDerWaalsContact O-CB 3.26Å; G210-A214 WeakPolarHBondContact O-CB 3.31Å; G210-A214 PolarHBondContact O-N 3.26Å
211	M	62.5	Low	65.6	Low	79 Å²	79	63.2 Å²	63.2	39%	0.389	31%	0.31	S	S	.	.	H	α-helix	trans	-72.2	-36.6	-177.2	-171.3	162.9	47.4	0	0	113	N209 A214 K215	N209-M211 PolarHBondContact O-N 3.46Å; N209-M211 VanDerWaalsContact O-N 3.13Å; N209-M211 WeakPolarHBondContact OD1-CB 3.49Å; N209-M211 PolarHBondContact OD1-N 3.31Å; M211-A214 WeakPolarHBondContact O-CB 3.37Å; M211-A214 PolarHBondContact O-N 3.21Å; M211-K215 WeakPolarHBondContact O-CB 3.45Å; M211-K215 PolarHBondContact O-N 3.11Å
212	E	61.3	Low	64.8	Low	62 Å²	62	65.9 Å²	65.9	29%	0.29	32%	0.323	S	S	.	.	H	α-helix	trans	-69.8	-37.3	176.1	-68.9	-59.4	142.9	0	0	111.3	E85 R89 N209 A214 S216	E85-E212 HydrophobicContact CG-CB 4.39Å; R89-E212 HydrophobicContact CG-CB 4.45Å; R89-E212 HydrophobicContact CG-CG 4.2Å; N209-E212 PolarHBondContact O-N 2.88Å; E212-A214 VanDerWaalsContact C-N 3.28Å; E212-A214 PolarHBondContact O-N 2.82Å; E212-S216 PolarHBondContact O-OG 3Å
213	V	59.6	Low	64	Low	14 Å²	14	72 Å²	72	9%	0.085	35%	0.349	C	S	.	.	H	α-helix	trans	-65	-34.5	170.1	-176.4	0	0	0	0	111.3	L84 E85 L88 P176 S216 R217	L84-V213 HydrophobicContact CD2-CG1 4.36Å; E85-V213 HydrophobicContact CB-CG2 4.36Å; L88-V213 HydrophobicContact CD1-CB 4.3Å; L88-V213 HydrophobicContact CD1-CG1 4.35Å; L88-V213 HydrophobicContact CD1-CG2 4.17Å; P176-V213 HydrophobicContact CB-CG1 4.45Å; P176-V213 HydrophobicContact CG-CG1 3.75Å; V213-S216 PolarHBondContact O-OG 3.31Å; V213-S216 VanDerWaalsContact O-OG 3.1Å; V213-R217 PolarHBondContact O-N 2.66Å
214	A	58.3	Low	63.3	Low	5 Å²	5	71.9 Å²	71.9	4%	0.041	34%	0.344	C	S	.	.	H	α-helix	trans	-73.7	-43.3	-179.9	0	0	0	0	0	114.2	V179 M183 G210 M211 E212 S216 R217 K218	V179-A214 HydrophobicContact CG1-CB 3.24Å; M183-A214 HydrophobicContact CG-CB 3.85Å; M183-A214 HydrophobicContact SD-CB 4.39Å; G210-A214 VanDerWaalsContact O-CB 3.26Å; G210-A214 WeakPolarHBondContact O-CB 3.31Å; G210-A214 PolarHBondContact O-N 3.26Å; M211-A214 WeakPolarHBondContact O-CB 3.37Å; M211-A214 PolarHBondContact O-N 3.21Å; E212-A214 VanDerWaalsContact C-N 3.28Å; E212-A214 PolarHBondContact O-N 2.82Å; A214-S216 VanDerWaalsContact C-N 3.33Å; A214-S216 PolarHBondContact O-N 3.43Å; A214-R217 PolarHBondContact O-N 2.53Å; A214-K218 PolarHBondContact O-N 2.87Å
215	K	59.5	Low	62.8	Low	150 Å²	150	67 Å²	67	65%	0.652	33%	0.328	S	S	*	.	H	α-helix	trans	-63.3	-40.3	-175.1	-157.1	175	-172.7	178.3	0	111.9	M211	M211-K215 WeakPolarHBondContact O-CB 3.45Å; M211-K215 PolarHBondContact O-N 3.11Å
216	S	54.4	Low	62.5	Low	18 Å²	18	67.3 Å²	67.3	13%	0.126	33%	0.329	C	S	.	.	H	α-helix	trans	-74	-36.3	176.9	53	0	0	0	0	113.3	L88 E212 V213 A214 K218 L219 V220	L88-S216 WeakPolarHBondContact CD1-OG 3.4Å; L88-S216 WeakPolarHBondContact CD2-OG 3.24Å; E212-S216 PolarHBondContact O-OG 3Å; V213-S216 PolarHBondContact O-OG 3.31Å; V213-S216 VanDerWaalsContact O-OG 3.1Å; A214-S216 VanDerWaalsContact C-N 3.33Å; A214-S216 PolarHBondContact O-N 3.43Å; S216-K218 VanDerWaalsContact C-N 3.34Å; S216-L219 PolarHBondContact O-N 3.15Å; S216-V220 PolarHBondContact O-N 3.44Å
217	R	56.2	Low	62.2	Low	58 Å²	58	67.5 Å²	67.5	22%	0.219	33%	0.329	C	S	.	.	H	α-helix	trans	-64.7	-37.2	171.9	-171.7	-175.6	-173.1	-106.2	-3.7	112	P176 S177 V179 V213 A214 L219 V220 L221	P176-R217 PolarHBondContact O-NE 2.92Å; S177-R217 PolarHBondContact O-NH2 3.15Å; V179-R217 VanDerWaalsContact CB-CD 3.42Å; V179-R217 HydrophobicContact CG2-CB 4.28Å; V179-R217 HydrophobicContact CG2-CG 4.27Å; V213-R217 PolarHBondContact O-N 2.66Å; A214-R217 PolarHBondContact O-N 2.53Å; R217-L219 VanDerWaalsContact C-N 3.29Å; R217-L219 PolarHBondContact O-N 3.48Å; R217-V220 PolarHBondContact O-N 3.01Å; R217-L221 HydrophobicContact CG-CB 4.3Å; R217-L221 HydrophobicContact CG-CD1 3.37Å; R217-L221 HydrophobicContact CG-CG 3.72Å; R217-L221 VanDerWaalsContact O-CB 3.31Å; R217-L221 WeakPolarHBondContact O-CB 3.45Å; R217-L221 PolarHBondContact O-N 3.29Å
218	K	55.5	Low	62.3	Low	121 Å²	121	69.1 Å²	69.1	53%	0.526	34%	0.336	S	S	.	.	H	α-helix	trans	-55.3	-47.3	177.1	-167	176.9	179.3	-178.4	0	110.9	A214 S216 E222	A214-K218 PolarHBondContact O-N 2.87Å; S216-K218 VanDerWaalsContact C-N 3.34Å; K218-E222 WeakPolarHBondContact CE-OE1 3.27Å; K218-E222 HydrophobicContact CG-CG 4.27Å; K218-E222 WeakPolarHBondContact CG-OE1 3.33Å; K218-E222 IonicContact NZ-OE1 2.58Å; K218-E222 WeakPolarHBondContact O-CB 3.37Å; K218-E222 VanDerWaalsContact O-CG 3.29Å; K218-E222 WeakPolarHBondContact O-CG 3.48Å; K218-E222 PolarHBondContact O-N 3.12Å
219	L	56.3	Low	62.6	Low	114 Å²	114	72.3 Å²	72.3	60%	0.597	35%	0.349	S	S	*	.	H	α-helix	trans	-63.8	-44.5	178.8	-165.9	107.3	0	0	0	113	P92 S216 R217 F223	P92-L219 HydrophobicContact CG-CD2 4.49Å; S216-L219 PolarHBondContact O-N 3.15Å; R217-L219 VanDerWaalsContact C-N 3.29Å; R217-L219 PolarHBondContact O-N 3.48Å; L219-F223 WeakPolarHBondContact O-CB 3.39Å; L219-F223 PolarHBondContact O-N 3.06Å
220	V	54.4	Low	63.3	Low	54 Å²	54	71 Å²	71	33%	0.327	34%	0.343	S	S	.	.	H	α-helix	trans	-79.4	-33.2	-175.2	175.5	0	0	0	0	112.6	M170 S216 R217 T224	M170-V220 HydrophobicContact CE-CG1 3.56Å; M170-V220 HydrophobicContact SD-CG1 3.87Å; S216-V220 PolarHBondContact O-N 3.44Å; R217-V220 PolarHBondContact O-N 3.01Å; V220-T224 PolarHBondContact O-N 3.27Å; V220-T224 PolarHBondContact O-OG1 3.23Å
221	L	55.6	Low	64.2	Low	39 Å²	39	74.2 Å²	74.2	20%	0.204	36%	0.362	C	S	.	.	H	α-helix	trans	-88	-32.6	178.7	-75.9	-173.6	0	0	0	114.9	M170 R217 F223 T224 T225	M170-L221 HydrophobicContact CE-CD2 3.93Å; M170-L221 HydrophobicContact SD-CD2 3.94Å; R217-L221 HydrophobicContact CG-CB 4.3Å; R217-L221 HydrophobicContact CG-CD1 3.37Å; R217-L221 HydrophobicContact CG-CG 3.72Å; R217-L221 VanDerWaalsContact O-CB 3.31Å; R217-L221 WeakPolarHBondContact O-CB 3.45Å; R217-L221 PolarHBondContact O-N 3.29Å; L221-F223 PolarHBondContact O-N 3.39Å; L221-T224 WeakPolarHBondContact CA-OG1 3.36Å; L221-T224 WeakPolarHBondContact CD2-OG1 3.27Å; L221-T224 PolarHBondContact O-N 3.06Å; L221-T224 PolarHBondContact O-OG1 2.85Å; L221-T225 WeakPolarHBondContact O-CB 3.08Å; L221-T225 WeakPolarHBondContact O-CG2 3.18Å; L221-T225 PolarHBondContact O-N 2.94Å; L221-T225 PolarHBondContact O-OG1 2.88Å
222	E	61.5	Low	65.2	Low	97 Å²	97	72.5 Å²	72.5	45%	0.453	36%	0.361	S	S	.	.	H	α-helix	trans	-58.1	-45.2	167.7	-77.9	177.3	171.9	0	0	108.6	K218 T224 T225 I226	K218-E222 WeakPolarHBondContact CE-OE1 3.27Å; K218-E222 HydrophobicContact CG-CG 4.27Å; K218-E222 WeakPolarHBondContact CG-OE1 3.33Å; K218-E222 IonicContact NZ-OE1 2.58Å; K218-E222 WeakPolarHBondContact O-CB 3.37Å; K218-E222 VanDerWaalsContact O-CG 3.29Å; K218-E222 WeakPolarHBondContact O-CG 3.48Å; K218-E222 PolarHBondContact O-N 3.12Å; E222-T224 PolarHBondContact O-N 3.05Å; E222-T225 PolarHBondContact O-OG1 3.26Å; E222-I226 HydrophobicContact CB-CD1 4.36Å; E222-I226 WeakPolarHBondContact O-CB 3.38Å; E222-I226 VanDerWaalsContact O-CD1 3.23Å; E222-I226 WeakPolarHBondContact O-CD1 3.2Å; E222-I226 WeakPolarHBondContact O-CG1 3.33Å; E222-I226 PolarHBondContact O-N 3.3Å
223	F	60.4	Low	66.4	Low	151 Å²	151	69.7 Å²	69.7	66%	0.662	35%	0.348	S	S	*	.	H	α-helix	trans	-60.5	-42.4	178.1	-163.4	-92.5	0	0	0	113.3	L219 L221 F227	L219-F223 WeakPolarHBondContact O-CB 3.39Å; L219-F223 PolarHBondContact O-N 3.06Å; L221-F223 PolarHBondContact O-N 3.39Å; F223-F227 WeakPolarHBondContact O-CB 3.36Å; F223-F227 PolarHBondContact O-N 2.83Å
224	T	60.8	Low	67.8	Low	32 Å²	32	71.5 Å²	71.5	20%	0.196	36%	0.356	C	S	.	.	H	α-helix	trans	-80.9	-34.8	-177.7	46.9	0	0	0	0	114.6	M170 V220 L221 E222 F227 E228	M170-T224 HydrophobicContact CE-CG2 3.1Å; M170-T224 WeakPolarHBondContact CE-OG1 3.18Å; V220-T224 PolarHBondContact O-N 3.27Å; V220-T224 PolarHBondContact O-OG1 3.23Å; L221-T224 WeakPolarHBondContact CA-OG1 3.36Å; L221-T224 WeakPolarHBondContact CD2-OG1 3.27Å; L221-T224 PolarHBondContact O-N 3.06Å; L221-T224 PolarHBondContact O-OG1 2.85Å; E222-T224 PolarHBondContact O-N 3.05Å; T224-F227 WeakPolarHBondContact O-CB 3.43Å; T224-F227 PolarHBondContact O-N 3.3Å; T224-E228 WeakPolarHBondContact O-CB 3.47Å; T224-E228 WeakPolarHBondContact O-CG 3Å; T224-E228 PolarHBondContact O-N 2.97Å
225	T	67.2	Low	69.2	Low	62 Å²	62	75 Å²	75	38%	0.38	38%	0.381	S	S	.	.	H	α-helix	trans	-67.9	-37.9	171	54.8	0	0	0	0	111.4	L221 E222 K229	L221-T225 WeakPolarHBondContact O-CB 3.08Å; L221-T225 WeakPolarHBondContact O-CG2 3.18Å; L221-T225 PolarHBondContact O-N 2.94Å; L221-T225 PolarHBondContact O-OG1 2.88Å; E222-T225 PolarHBondContact O-OG1 3.26Å; T225-K229 WeakPolarHBondContact O-CB 3.35Å; T225-K229 VanDerWaalsContact O-CG 3.25Å; T225-K229 WeakPolarHBondContact O-CG 3.34Å; T225-K229 PolarHBondContact O-N 2.86Å; T225-K229 VanDerWaalsContact O-N 3.08Å
226	I	70.7	Confident	70.5	Confident	76 Å²	76	72.7 Å²	72.7	39%	0.39	37%	0.373	S	S	.	.	H	α-helix	trans	-61.5	-47.1	169.1	-68.7	165.2	0	0	0	109.3	E222 K229 V230	E222-I226 HydrophobicContact CB-CD1 4.36Å; E222-I226 WeakPolarHBondContact O-CB 3.38Å; E222-I226 VanDerWaalsContact O-CD1 3.23Å; E222-I226 WeakPolarHBondContact O-CD1 3.2Å; E222-I226 WeakPolarHBondContact O-CG1 3.33Å; E222-I226 PolarHBondContact O-N 3.3Å; I226-K229 PolarHBondContact O-N 3.47Å; I226-V230 HydrophobicContact CG2-CG2 4.11Å; I226-V230 WeakPolarHBondContact O-CB 3.46Å; I226-V230 WeakPolarHBondContact O-CG2 3.2Å; I226-V230 PolarHBondContact O-N 3.11Å
227	F	72.9	Confident	72.1	Confident	120 Å²	120	71.9 Å²	71.9	53%	0.526	37%	0.367	S	S	.	.	H	α-helix	trans	-60.2	-47.3	179.5	179.8	-97.4	0	0	0	112.6	F223 T224 K229 V230 V231	F223-F227 WeakPolarHBondContact O-CB 3.36Å; F223-F227 PolarHBondContact O-N 2.83Å; T224-F227 WeakPolarHBondContact O-CB 3.43Å; T224-F227 PolarHBondContact O-N 3.3Å; F227-K229 PolarHBondContact O-N 3.21Å; F227-V230 PolarHBondContact O-N 3.42Å; F227-V231 HydrophobicContact CD1-CG2 4.07Å; F227-V231 HydrophobicContact CD2-CG2 4.35Å; F227-V231 HydrophobicContact CE1-CG2 3.67Å; F227-V231 HydrophobicContact CE2-CG2 3.97Å; F227-V231 HydrophobicContact CG-CG2 4.4Å; F227-V231 HydrophobicContact CZ-CG2 3.61Å; F227-V231 WeakPolarHBondContact O-CB 3.39Å; F227-V231 VanDerWaalsContact O-CG2 3.28Å; F227-V231 WeakPolarHBondContact O-CG2 3.36Å; F227-V231 PolarHBondContact O-N 3.05Å
228	E	74.4	Confident	73.8	Confident	131 Å²	131	75.2 Å²	75.2	61%	0.612	38%	0.379	S	S	*	.	H	α-helix	trans	-60.6	-45	177.5	-75.7	173.6	179.6	0	0	111.6	T224 V231 A232	T224-E228 WeakPolarHBondContact O-CB 3.47Å; T224-E228 WeakPolarHBondContact O-CG 3Å; T224-E228 PolarHBondContact O-N 2.97Å; E228-V231 PolarHBondContact O-N 3.16Å; E228-A232 WeakPolarHBondContact O-CB 3.32Å; E228-A232 PolarHBondContact O-N 2.9Å
229	K	79.2	Confident	75.5	Confident	79 Å²	79	74.6 Å²	74.6	34%	0.343	38%	0.378	S	S	.	.	H	α-helix	trans	-63.2	-42.7	175.6	-73.2	176.7	177.7	-177.6	0	112.1	T225 I226 F227 A232 D233 H649 Y650	T225-K229 WeakPolarHBondContact O-CB 3.35Å; T225-K229 VanDerWaalsContact O-CG 3.25Å; T225-K229 WeakPolarHBondContact O-CG 3.34Å; T225-K229 PolarHBondContact O-N 2.86Å; T225-K229 VanDerWaalsContact O-N 3.08Å; I226-K229 PolarHBondContact O-N 3.47Å; F227-K229 PolarHBondContact O-N 3.21Å; K229-A232 PolarHBondContact O-N 3.42Å; K229-D233 WeakPolarHBondContact O-CB 3.21Å; K229-D233 PolarHBondContact O-N 2.94Å; K229-H649 HydrophobicContact CB-CB 4.07Å; K229-H649 HydrophobicContact CD-CB 4.12Å; K229-H649 HydrophobicContact CG-CB 4.29Å; K229-Y650 HydrophobicContact CB-CD2 4.1Å; K229-Y650 HydrophobicContact CB-CE2 3.78Å; K229-Y650 HydrophobicContact CD-CE2 3.82Å; K229-Y650 HydrophobicContact CG-CE2 4.47Å
230	V	83.1	Confident	77.1	Confident	28 Å²	28	70.5 Å²	70.5	17%	0.17	36%	0.357	C	S	.	.	H	α-helix	trans	-63	-43.8	175.3	165.7	0	0	0	0	110.9	I226 F227 A232 D233 L234 Y650 V653	I226-V230 HydrophobicContact CG2-CG2 4.11Å; I226-V230 WeakPolarHBondContact O-CB 3.46Å; I226-V230 WeakPolarHBondContact O-CG2 3.2Å; I226-V230 PolarHBondContact O-N 3.11Å; F227-V230 PolarHBondContact O-N 3.42Å; V230-A232 VanDerWaalsContact C-N 3.34Å; V230-D233 PolarHBondContact O-N 2.9Å; V230-L234 HydrophobicContact CG1-CD1 3.84Å; V230-L234 HydrophobicContact CG1-CG 4.29Å; V230-L234 WeakPolarHBondContact O-CB 3.43Å; V230-L234 WeakPolarHBondContact O-CG 3.34Å; V230-L234 PolarHBondContact O-N 2.76Å; V230-Y650 HydrophobicContact CG2-CD2 4.24Å; V230-V653 HydrophobicContact CG1-CG1 3.92Å; V230-V653 HydrophobicContact CG2-CG1 4.34Å; V230-V653 HydrophobicContact CG2-CG2 4.16Å
231	V	84.8	Confident	78.9	Confident	68 Å²	68	68.9 Å²	68.9	41%	0.412	35%	0.346	S	S	.	.	H	α-helix	trans	-64.2	-41.1	177.2	169.6	0	0	0	0	110.8	F227 E228 L234 S235	F227-V231 HydrophobicContact CD1-CG2 4.07Å; F227-V231 HydrophobicContact CD2-CG2 4.35Å; F227-V231 HydrophobicContact CE1-CG2 3.67Å; F227-V231 HydrophobicContact CE2-CG2 3.97Å; F227-V231 HydrophobicContact CG-CG2 4.4Å; F227-V231 HydrophobicContact CZ-CG2 3.61Å; F227-V231 WeakPolarHBondContact O-CB 3.39Å; F227-V231 VanDerWaalsContact O-CG2 3.28Å; F227-V231 WeakPolarHBondContact O-CG2 3.36Å; F227-V231 PolarHBondContact O-N 3.05Å; E228-V231 PolarHBondContact O-N 3.16Å; V231-L234 PolarHBondContact O-N 3.4Å; V231-S235 WeakPolarHBondContact O-CB 3.48Å; V231-S235 PolarHBondContact O-N 3.22Å
232	A	83	Confident	80.7	Confident	44 Å²	44	71.4 Å²	71.4	36%	0.364	36%	0.359	S	S	.	.	H	α-helix	trans	-60.7	-50.8	174.4	0	0	0	0	0	111.2	E228 K229 V230 L234 S235 Q236	E228-A232 WeakPolarHBondContact O-CB 3.32Å; E228-A232 PolarHBondContact O-N 2.9Å; K229-A232 PolarHBondContact O-N 3.42Å; V230-A232 VanDerWaalsContact C-N 3.34Å; A232-L234 VanDerWaalsContact C-N 3.3Å; A232-L234 PolarHBondContact O-N 3.41Å; A232-S235 PolarHBondContact O-N 3.49Å; A232-S235 VanDerWaalsContact O-N 3.14Å; A232-S235 PolarHBondContact O-OG 3.33Å; A232-Q236 PolarHBondContact O-N 2.87Å
233	D	86.8	Confident	82.3	Confident	3 Å²	3	71.8 Å²	71.8	2%	0.016	36%	0.363	C	S	.	.	H	α-helix	trans	-57.1	-41.9	177.4	-73.1	-7.2	0	0	0	111.5	K229 V230 Q236 T237 L648 H649 Y650	K229-D233 WeakPolarHBondContact O-CB 3.21Å; K229-D233 PolarHBondContact O-N 2.94Å; V230-D233 PolarHBondContact O-N 2.9Å; D233-Q236 PolarHBondContact O-N 3.38Å; D233-T237 WeakPolarHBondContact O-CB 3.49Å; D233-T237 WeakPolarHBondContact O-CG2 3.37Å; D233-T237 PolarHBondContact O-N 2.93Å; D233-T237 PolarHBondContact O-OG1 3Å; D233-L648 HydrophobicContact CB-CD2 3.47Å; D233-L648 VanDerWaalsContact CB-CD2 3.47Å; D233-H649 IonicContact OD1-CD2 3.99Å; D233-H649 PolarHBondContact OD1-N 2.84Å; D233-H649 PolarHBondContact OD2-N 3.4Å; D233-Y650 PolarHBondContact OD2-N 3.06Å
234	L	89	Confident	83.9	Confident	51 Å²	51	65.4 Å²	65.4	27%	0.267	34%	0.337	S	S	.	.	H	α-helix	trans	-70.6	-38.8	177.2	-69.5	175.4	0	0	0	112.6	V230 V231 A232 Q236 T237 W238 I241 I657	V230-L234 HydrophobicContact CG1-CD1 3.84Å; V230-L234 HydrophobicContact CG1-CG 4.29Å; V230-L234 WeakPolarHBondContact O-CB 3.43Å; V230-L234 WeakPolarHBondContact O-CG 3.34Å; V230-L234 PolarHBondContact O-N 2.76Å; V231-L234 PolarHBondContact O-N 3.4Å; A232-L234 VanDerWaalsContact C-N 3.3Å; A232-L234 PolarHBondContact O-N 3.41Å; L234-Q236 PolarHBondContact O-N 2.71Å; L234-T237 PolarHBondContact O-N 2.94Å; L234-W238 WeakPolarHBondContact O-CB 3.3Å; L234-W238 PolarHBondContact O-N 3.14Å; L234-I241 HydrophobicContact CD2-CD1 3.95Å; L234-I657 HydrophobicContact CD1-CD1 4.3Å; L234-I657 HydrophobicContact CD2-CD1 3.41Å; L234-I657 VanDerWaalsContact CD2-CD1 3.41Å; L234-I657 HydrophobicContact CG-CD1 4.49Å
235	S	87.1	Confident	85.5	Confident	80 Å²	80	66.2 Å²	66.2	56%	0.559	34%	0.339	S	S	*	.	H	α-helix	trans	-63.8	-26.7	176.6	82.3	0	0	0	0	112	V231 A232	V231-S235 WeakPolarHBondContact O-CB 3.48Å; V231-S235 PolarHBondContact O-N 3.22Å; A232-S235 PolarHBondContact O-N 3.49Å; A232-S235 VanDerWaalsContact O-N 3.14Å; A232-S235 PolarHBondContact O-OG 3.33Å
236	Q	86.5	Confident	86.7	Confident	101 Å²	101	66.7 Å²	66.7	47%	0.472	35%	0.345	S	S	.	.	H	α-helix	trans	-84.5	-34.7	174.7	-167.1	171.8	17.5	0	0	112.5	A232 D233 L234 S646	A232-Q236 PolarHBondContact O-N 2.87Å; D233-Q236 PolarHBondContact O-N 3.38Å; L234-Q236 PolarHBondContact O-N 2.71Å; Q236-S646 VanDerWaalsContact NE2-CB 3.34Å
237	T	89.9	Confident	87.9	Confident	1 Å²	1	66.2 Å²	66.2	1%	0.006	35%	0.346	C	S	.	.	H	α-helix	trans	-100.9	-2	-170.1	54.7	0	0	0	0	115.6	D233 L234 H239 I240 I241 L629 L648 P654	D233-T237 WeakPolarHBondContact O-CB 3.49Å; D233-T237 WeakPolarHBondContact O-CG2 3.37Å; D233-T237 PolarHBondContact O-N 2.93Å; D233-T237 PolarHBondContact O-OG1 3Å; L234-T237 PolarHBondContact O-N 2.94Å; T237-H239 VanDerWaalsContact C-N 3.28Å; T237-H239 PolarHBondContact O-N 2.76Å; T237-H239 VanDerWaalsContact O-N 3.16Å; T237-I240 HydrophobicContact CG2-CD1 4.31Å; T237-I240 WeakPolarHBondContact O-CB 3.27Å; T237-I240 PolarHBondContact O-N 3.44Å; T237-I241 PolarHBondContact O-N 2.71Å; T237-I241 VanDerWaalsContact O-N 3.09Å; T237-L629 HydrophobicContact CG2-CD2 4.27Å; T237-L648 HydrophobicContact CG2-CD1 3.97Å; T237-L648 HydrophobicContact CG2-CD2 3.68Å; T237-L648 HydrophobicContact CG2-CG 4.36Å; T237-P654 HydrophobicContact CG2-CB 4.48Å; T237-P654 HydrophobicContact CG2-CG 4.44Å
238	W	91.2	Very high	89	Confident	128 Å²	128	60.5 Å²	60.5	49%	0.485	32%	0.321	S	S	.	.	H	α-helix	trans	-56	-36.9	-174.1	75	-83.8	0	0	0	114.4	L234 I240 I241 L242	L234-W238 WeakPolarHBondContact O-CB 3.3Å; L234-W238 PolarHBondContact O-N 3.14Å; W238-I240 VanDerWaalsContact C-N 3.34Å; W238-I240 PolarHBondContact O-N 3.38Å; W238-I241 WeakPolarHBondContact O-CB 3.17Å; W238-I241 PolarHBondContact O-N 3.08Å; W238-L242 HydrophobicContact CE3-CD1 3.46Å; W238-L242 VanDerWaalsContact CE3-CD1 3.46Å; W238-L242 HydrophobicContact CE3-CG 4.25Å; W238-L242 HydrophobicContact CZ3-CD1 3.4Å; W238-L242 PolarHBondContact O-N 3.2Å
239	H	91.3	Very high	89.8	Confident	107 Å²	107	56.8 Å²	56.8	50%	0.495	31%	0.307	S	S	.	.	H	α-helix	trans	-62	-42.5	176.8	-63.1	-71.2	0	0	0	112	T237 I241 L242 I243	T237-H239 VanDerWaalsContact C-N 3.28Å; T237-H239 PolarHBondContact O-N 2.76Å; T237-H239 VanDerWaalsContact O-N 3.16Å; H239-I241 VanDerWaalsContact C-N 3.34Å; H239-L242 PolarHBondContact O-N 2.97Å; H239-I243 VanDerWaalsContact O-CG1 3.32Å; H239-I243 WeakPolarHBondContact O-CG1 3.38Å; H239-I243 PolarHBondContact O-N 3.37Å
240	I	90.2	Very high	90.4	Very high	29 Å²	29	57.2 Å²	57.2	15%	0.149	32%	0.316	C	S	.	.	H	α-helix	trans	-65.1	-43.2	178.3	-60.6	157.9	0	0	0	109.4	T237 W238 L242 I243 C244 Y628 I658	T237-I240 HydrophobicContact CG2-CD1 4.31Å; T237-I240 WeakPolarHBondContact O-CB 3.27Å; T237-I240 PolarHBondContact O-N 3.44Å; W238-I240 VanDerWaalsContact C-N 3.34Å; W238-I240 PolarHBondContact O-N 3.38Å; I240-L242 VanDerWaalsContact C-N 3.31Å; I240-L242 PolarHBondContact O-N 3.47Å; I240-I243 PolarHBondContact O-N 3.34Å; I240-C244 WeakPolarHBondContact O-CB 3.4Å; I240-C244 PolarHBondContact O-N 2.96Å; I240-C244 PolarHBondContact O-SG 3.25Å; I240-C244 VanDerWaalsContact O-SG 3.39Å; I240-Y628 HydrophobicContact CD1-CD1 4.27Å; I240-Y628 HydrophobicContact CD1-CE1 3.47Å; I240-Y628 VanDerWaalsContact CD1-CE1 3.47Å; I240-Y628 HydrophobicContact CG1-CE1 4.05Å; I240-Y628 HydrophobicContact CG2-CD1 4.49Å; I240-I658 HydrophobicContact CG2-CD1 4.43Å
241	I	92.3	Very high	90.9	Very high	20 Å²	20	58.2 Å²	58.2	10%	0.103	32%	0.32	C	S	.	.	H	α-helix	trans	-56.6	-46.9	176.1	-65	168.1	0	0	0	110.3	L234 T237 W238 H239 C244 I245 P654 I657 I658	L234-I241 HydrophobicContact CD2-CD1 3.95Å; T237-I241 PolarHBondContact O-N 2.71Å; T237-I241 VanDerWaalsContact O-N 3.09Å; W238-I241 WeakPolarHBondContact O-CB 3.17Å; W238-I241 PolarHBondContact O-N 3.08Å; H239-I241 VanDerWaalsContact C-N 3.34Å; I241-C244 PolarHBondContact O-N 3.28Å; I241-I245 HydrophobicContact CG2-CD1 3.86Å; I241-I245 HydrophobicContact CG2-CG1 4.5Å; I241-I245 VanDerWaalsContact O-CG1 3.27Å; I241-I245 WeakPolarHBondContact O-CG1 3.4Å; I241-I245 PolarHBondContact O-N 3.45Å; I241-P654 HydrophobicContact CD1-CB 4.31Å; I241-I657 HydrophobicContact CD1-CG2 4.35Å; I241-I657 HydrophobicContact CG2-CG2 4.11Å; I241-I658 HydrophobicContact CB-CG1 4.48Å; I241-I658 HydrophobicContact CG1-CD1 4.24Å; I241-I658 HydrophobicContact CG1-CG1 4Å
242	L	93.4	Very high	91.2	Very high	91 Å²	91	55.2 Å²	55.2	48%	0.476	30%	0.302	S	S	.	.	H	α-helix	trans	-64.6	-39.6	178	-72.6	-179.2	0	0	0	113.4	W238 H239 I240 I245 S246	W238-L242 HydrophobicContact CE3-CD1 3.46Å; W238-L242 VanDerWaalsContact CE3-CD1 3.46Å; W238-L242 HydrophobicContact CE3-CG 4.25Å; W238-L242 HydrophobicContact CZ3-CD1 3.4Å; W238-L242 PolarHBondContact O-N 3.2Å; H239-L242 PolarHBondContact O-N 2.97Å; I240-L242 VanDerWaalsContact C-N 3.31Å; I240-L242 PolarHBondContact O-N 3.47Å; L242-I245 PolarHBondContact O-N 3.4Å; L242-S246 WeakPolarHBondContact O-CB 3.32Å; L242-S246 PolarHBondContact O-N 3Å; L242-S246 PolarHBondContact O-OG 3.27Å
243	I	94.1	Very high	91.4	Very high	106 Å²	106	56.9 Å²	56.9	54%	0.544	30%	0.301	S	S	.	.	H	α-helix	trans	-62.4	-48.1	175	-68.5	165.3	0	0	0	109.8	H239 I240 I245 S246 V247	H239-I243 VanDerWaalsContact O-CG1 3.32Å; H239-I243 WeakPolarHBondContact O-CG1 3.38Å; H239-I243 PolarHBondContact O-N 3.37Å; I240-I243 PolarHBondContact O-N 3.34Å; I243-I245 VanDerWaalsContact C-N 3.34Å; I243-I245 PolarHBondContact O-N 3.24Å; I243-S246 WeakPolarHBondContact O-CB 3.09Å; I243-S246 PolarHBondContact O-N 3.42Å; I243-S246 VanDerWaalsContact O-N 3.11Å; I243-V247 HydrophobicContact CG2-CG2 4.39Å; I243-V247 WeakPolarHBondContact O-CG2 3.24Å; I243-V247 PolarHBondContact O-N 3.06Å
244	C	94.9	Very high	91.5	Very high	16 Å²	16	59.4 Å²	59.4	11%	0.108	32%	0.319	C	S	.	.	H	α-helix	trans	-62	-38.6	178.1	-71	0	0	0	0	112.7	I240 I241 S246 V247 S248 V621 I658	I240-C244 WeakPolarHBondContact O-CB 3.4Å; I240-C244 PolarHBondContact O-N 2.96Å; I240-C244 PolarHBondContact O-SG 3.25Å; I240-C244 VanDerWaalsContact O-SG 3.39Å; I241-C244 PolarHBondContact O-N 3.28Å; C244-S246 VanDerWaalsContact C-N 3.35Å; C244-V247 PolarHBondContact O-N 2.93Å; C244-S248 WeakPolarHBondContact O-CB 3.31Å; C244-S248 PolarHBondContact O-N 2.69Å; C244-S248 PolarHBondContact O-OG 3.5Å; C244-V621 HydrophobicContact CB-CG1 3.88Å; C244-I658 HydrophobicContact CB-CD1 4.41Å; C244-I658 HydrophobicContact CB-CG1 4.19Å; C244-I658 HydrophobicContact CB-CG2 3.74Å
245	I	93.6	Very high	91.5	Very high	49 Å²	49	58.7 Å²	58.7	25%	0.251	31%	0.312	S	S	.	.	H	α-helix	trans	-61.6	-45.1	173	-71.4	168.5	0	0	0	110.3	I241 L242 I243 S248 V249 V665	I241-I245 HydrophobicContact CG2-CD1 3.86Å; I241-I245 HydrophobicContact CG2-CG1 4.5Å; I241-I245 VanDerWaalsContact O-CG1 3.27Å; I241-I245 WeakPolarHBondContact O-CG1 3.4Å; I241-I245 PolarHBondContact O-N 3.45Å; L242-I245 PolarHBondContact O-N 3.4Å; I243-I245 VanDerWaalsContact C-N 3.34Å; I243-I245 PolarHBondContact O-N 3.24Å; I245-S248 VanDerWaalsContact O-CB 3.31Å; I245-S248 WeakPolarHBondContact O-CB 3.27Å; I245-S248 PolarHBondContact O-N 3.39Å; I245-S248 VanDerWaalsContact O-N 3.16Å; I245-V249 WeakPolarHBondContact O-CG2 3.39Å; I245-V249 PolarHBondContact O-N 3.12Å; I245-V665 HydrophobicContact CG2-CG2 4.31Å
246	S	93	Very high	91.4	Very high	72 Å²	72	55.1 Å²	55.1	50%	0.503	29%	0.287	S	S	.	.	H	α-helix	trans	-63.9	-43.4	179.1	-56.3	0	0	0	0	111.9	L242 I243 C244 S248 V249 V250	L242-S246 WeakPolarHBondContact O-CB 3.32Å; L242-S246 PolarHBondContact O-N 3Å; L242-S246 PolarHBondContact O-OG 3.27Å; I243-S246 WeakPolarHBondContact O-CB 3.09Å; I243-S246 PolarHBondContact O-N 3.42Å; I243-S246 VanDerWaalsContact O-N 3.11Å; C244-S246 VanDerWaalsContact C-N 3.35Å; S246-S248 VanDerWaalsContact C-N 3.29Å; S246-S248 PolarHBondContact O-N 2.69Å; S246-V249 WeakPolarHBondContact O-CB 3.4Å; S246-V249 PolarHBondContact O-N 3.27Å; S246-V250 WeakPolarHBondContact O-CG2 3.45Å; S246-V250 PolarHBondContact O-N 2.83Å; S246-V250 VanDerWaalsContact O-N 3.12Å
247	V	94.9	Very high	91.2	Very high	67 Å²	67	52.7 Å²	52.7	41%	0.406	28%	0.279	S	S	.	.	H	α-helix	trans	-61.8	-38.6	173.5	172.9	0	0	0	0	110.9	I243 C244 V249 V250 L251 V621	I243-V247 HydrophobicContact CG2-CG2 4.39Å; I243-V247 WeakPolarHBondContact O-CG2 3.24Å; I243-V247 PolarHBondContact O-N 3.06Å; C244-V247 PolarHBondContact O-N 2.93Å; V247-V249 VanDerWaalsContact C-N 3.31Å; V247-V249 PolarHBondContact O-N 2.83Å; V247-V250 PolarHBondContact O-N 2.87Å; V247-L251 HydrophobicContact CG1-CD1 3.83Å; V247-L251 HydrophobicContact CG1-CG 4.14Å; V247-L251 WeakPolarHBondContact O-CB 3.45Å; V247-L251 WeakPolarHBondContact O-CG 3.44Å; V247-L251 PolarHBondContact O-N 3.28Å; V247-V621 HydrophobicContact CG1-CG2 4.31Å
248	S	95.4	Very high	91	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-61.8	-38.6	176.3	-56.3	0	0	0	0	112.3	C244 I245 S246 S252 S662	C244-S248 WeakPolarHBondContact O-CB 3.31Å; C244-S248 PolarHBondContact O-N 2.69Å; C244-S248 PolarHBondContact O-OG 3.5Å; I245-S248 VanDerWaalsContact O-CB 3.31Å; I245-S248 WeakPolarHBondContact O-CB 3.27Å; I245-S248 PolarHBondContact O-N 3.39Å; I245-S248 VanDerWaalsContact O-N 3.16Å; S246-S248 VanDerWaalsContact C-N 3.29Å; S246-S248 PolarHBondContact O-N 2.69Å; S248-S252 VanDerWaalsContact O-CB 3.27Å; S248-S252 WeakPolarHBondContact O-CB 3.46Å; S248-S252 PolarHBondContact O-N 3.18Å; S248-S252 PolarHBondContact O-OG 2.96Å; S248-S662 WeakPolarHBondContact OG-CB 3.41Å
249	V	91.3	Very high	90.6	Very high	52 Å²	52	51 Å²	51	32%	0.315	28%	0.279	S	S	.	.	H	α-helix	trans	-62.6	-48.6	174.5	171.1	0	0	0	0	110.2	I245 S246 V247 S252 F253 V665 F669	I245-V249 WeakPolarHBondContact O-CG2 3.39Å; I245-V249 PolarHBondContact O-N 3.12Å; S246-V249 WeakPolarHBondContact O-CB 3.4Å; S246-V249 PolarHBondContact O-N 3.27Å; V247-V249 VanDerWaalsContact C-N 3.31Å; V247-V249 PolarHBondContact O-N 2.83Å; V249-S252 PolarHBondContact O-N 3.05Å; V249-F253 WeakPolarHBondContact O-CB 3.37Å; V249-F253 PolarHBondContact O-N 2.98Å; V249-V665 HydrophobicContact CB-CG1 4.34Å; V249-V665 HydrophobicContact CG2-CG1 3.62Å; V249-V665 HydrophobicContact CG2-CG2 4.43Å; V249-F669 HydrophobicContact CB-CE2 4.49Å; V249-F669 HydrophobicContact CG1-CE2 4.07Å; V249-F669 HydrophobicContact CG1-CZ 3.85Å; V249-F669 HydrophobicContact CG2-CE2 4.43Å
250	V	92.2	Very high	90.2	Very high	89 Å²	89	52.1 Å²	52.1	54%	0.539	28%	0.279	S	S	.	.	H	α-helix	trans	-62.7	-46.7	179.5	176.9	0	0	0	0	111	S246 V247 S252 F253 C254	S246-V250 WeakPolarHBondContact O-CG2 3.45Å; S246-V250 PolarHBondContact O-N 2.83Å; S246-V250 VanDerWaalsContact O-N 3.12Å; V247-V250 PolarHBondContact O-N 2.87Å; V250-S252 VanDerWaalsContact C-N 3.33Å; V250-S252 PolarHBondContact O-N 3.15Å; V250-F253 WeakPolarHBondContact O-CB 3.4Å; V250-F253 PolarHBondContact O-N 2.99Å; V250-C254 WeakPolarHBondContact O-CB 3.47Å; V250-C254 PolarHBondContact O-N 3.5Å; V250-C254 PolarHBondContact O-SG 3.27Å
251	L	93.5	Very high	89.7	Confident	48 Å²	48	55.2 Å²	55.2	25%	0.251	30%	0.302	S	S	.	.	H	α-helix	trans	-63.1	-39.1	178	-71.9	175.3	0	0	0	112.2	V247 C254 W255 V617 I620 V621	V247-L251 HydrophobicContact CG1-CD1 3.83Å; V247-L251 HydrophobicContact CG1-CG 4.14Å; V247-L251 WeakPolarHBondContact O-CB 3.45Å; V247-L251 WeakPolarHBondContact O-CG 3.44Å; V247-L251 PolarHBondContact O-N 3.28Å; L251-C254 PolarHBondContact O-N 2.76Å; L251-W255 WeakPolarHBondContact O-CB 3.38Å; L251-W255 PolarHBondContact O-N 2.93Å; L251-V617 HydrophobicContact CB-CG1 4.32Å; L251-V617 HydrophobicContact CB-CG2 4.17Å; L251-I620 HydrophobicContact CD1-CB 4.35Å; L251-I620 HydrophobicContact CD1-CG2 3.88Å; L251-V621 HydrophobicContact CD1-CG2 3.64Å
252	S	92	Very high	89.3	Confident	5 Å²	5	57 Å²	57	4%	0.035	32%	0.315	C	S	.	.	H	α-helix	trans	-65	-40.6	175.7	-59.9	0	0	0	0	111.6	S248 V249 V250 W255 I256	S248-S252 VanDerWaalsContact O-CB 3.27Å; S248-S252 WeakPolarHBondContact O-CB 3.46Å; S248-S252 PolarHBondContact O-N 3.18Å; S248-S252 PolarHBondContact O-OG 2.96Å; V249-S252 PolarHBondContact O-N 3.05Å; V250-S252 VanDerWaalsContact C-N 3.33Å; V250-S252 PolarHBondContact O-N 3.15Å; S252-W255 PolarHBondContact O-N 2.91Å; S252-I256 PolarHBondContact O-N 3.48Å
253	F	86.3	Confident	88.8	Confident	79 Å²	79	52.9 Å²	52.9	35%	0.346	29%	0.294	S	S	.	.	H	α-helix	trans	-62.6	-48.8	172.6	178.9	-90.7	0	0	0	111.4	V249 V250 W255 I256 V257 L364 F669	V249-F253 WeakPolarHBondContact O-CB 3.37Å; V249-F253 PolarHBondContact O-N 2.98Å; V250-F253 WeakPolarHBondContact O-CB 3.4Å; V250-F253 PolarHBondContact O-N 2.99Å; F253-W255 VanDerWaalsContact C-N 3.28Å; F253-W255 PolarHBondContact O-N 3.22Å; F253-I256 PolarHBondContact O-N 3.4Å; F253-I256 VanDerWaalsContact O-N 3.14Å; F253-V257 HydrophobicContact CD1-CG2 4.04Å; F253-V257 HydrophobicContact CE1-CG2 3.59Å; F253-V257 HydrophobicContact CZ-CG2 3.88Å; F253-V257 WeakPolarHBondContact O-CG2 3.5Å; F253-V257 PolarHBondContact O-N 2.79Å; F253-L364 HydrophobicContact CD2-CD1 3.47Å; F253-L364 VanDerWaalsContact CD2-CD1 3.47Å; F253-L364 HydrophobicContact CE2-CD1 3.38Å; F253-F669 HydrophobicContact CB-CE1 4.41Å
254	C	88.3	Confident	88.5	Confident	56 Å²	56	50.8 Å²	50.8	38%	0.378	29%	0.289	S	S	.	.	H	α-helix	trans	-57.4	-40.8	176.6	-72.1	0	0	0	0	111.6	V250 L251 I256 V257 L258	V250-C254 WeakPolarHBondContact O-CB 3.47Å; V250-C254 PolarHBondContact O-N 3.5Å; V250-C254 PolarHBondContact O-SG 3.27Å; L251-C254 PolarHBondContact O-N 2.76Å; C254-I256 PolarHBondContact O-N 2.82Å; C254-V257 PolarHBondContact O-N 2.8Å; C254-L258 WeakPolarHBondContact O-CB 3.3Å; C254-L258 VanDerWaalsContact O-CG 3.27Å; C254-L258 WeakPolarHBondContact O-CG 3.35Å; C254-L258 PolarHBondContact O-N 3.42Å
255	W	89.1	Confident	88.3	Confident	36 Å²	36	54.2 Å²	54.2	14%	0.136	31%	0.309	C	S	.	.	H	α-helix	trans	-59.5	-44.4	176	-178.4	-99.4	0	0	0	112.5	L251 S252 F253 V257 L258 L259 M266 I612 G613 V616	L251-W255 WeakPolarHBondContact O-CB 3.38Å; L251-W255 PolarHBondContact O-N 2.93Å; S252-W255 PolarHBondContact O-N 2.91Å; F253-W255 VanDerWaalsContact C-N 3.28Å; F253-W255 PolarHBondContact O-N 3.22Å; W255-V257 VanDerWaalsContact C-N 3.33Å; W255-V257 PolarHBondContact O-N 2.98Å; W255-L258 WeakPolarHBondContact O-CB 3.31Å; W255-L258 PolarHBondContact O-N 3.35Å; W255-L259 PolarHBondContact O-N 3.49Å; W255-M266 HydrophobicContact CD2-CE 4.14Å; W255-M266 HydrophobicContact CE3-CE 4.08Å; W255-M266 HydrophobicContact CH2-CE 3.42Å; W255-M266 VanDerWaalsContact CH2-CE 3.42Å; W255-M266 HydrophobicContact CZ2-CE 3.45Å; W255-M266 VanDerWaalsContact CZ2-CE 3.45Å; W255-M266 HydrophobicContact CZ3-CE 3.74Å; W255-I612 HydrophobicContact CH2-CG2 4.29Å; W255-G613 VanDerWaalsContact CZ2-CA 3.48Å; W255-V616 HydrophobicContact CZ3-CG2 4.41Å
256	I	85.5	Confident	88	Confident	5 Å²	5	52.9 Å²	52.9	3%	0.026	30%	0.302	C	S	.	.	H	α-helix	trans	-65.1	-38.5	176.4	-67.5	179.1	0	0	0	111.4	S252 F253 C254 L259 R260 V357 L364 F669 F673	S252-I256 PolarHBondContact O-N 3.48Å; F253-I256 PolarHBondContact O-N 3.4Å; F253-I256 VanDerWaalsContact O-N 3.14Å; C254-I256 PolarHBondContact O-N 2.82Å; I256-L259 WeakPolarHBondContact O-CB 3.42Å; I256-L259 PolarHBondContact O-N 2.96Å; I256-R260 PolarHBondContact O-N 3.39Å; I256-V357 HydrophobicContact CG2-CB 4.39Å; I256-V357 HydrophobicContact CG2-CG1 3.73Å; I256-L364 HydrophobicContact CD1-CD2 3.65Å; I256-F669 HydrophobicContact CD1-CB 4.13Å; I256-F669 HydrophobicContact CD1-CD1 3.89Å; I256-F673 HydrophobicContact CG2-CD2 4.29Å
257	V	82.1	Confident	87.8	Confident	50 Å²	50	49.5 Å²	49.5	30%	0.303	28%	0.278	S	S	.	.	H	α-helix	trans	-67.4	-39.1	175.2	175.2	0	0	0	0	111.3	F253 C254 W255 L259 R260 C261	F253-V257 HydrophobicContact CD1-CG2 4.04Å; F253-V257 HydrophobicContact CE1-CG2 3.59Å; F253-V257 HydrophobicContact CZ-CG2 3.88Å; F253-V257 WeakPolarHBondContact O-CG2 3.5Å; F253-V257 PolarHBondContact O-N 2.79Å; C254-V257 PolarHBondContact O-N 2.8Å; W255-V257 VanDerWaalsContact C-N 3.33Å; W255-V257 PolarHBondContact O-N 2.98Å; V257-L259 VanDerWaalsContact C-N 3.28Å; V257-L259 PolarHBondContact O-N 3.32Å; V257-R260 WeakPolarHBondContact O-CA 3.27Å; V257-R260 VanDerWaalsContact O-CB 3.26Å; V257-R260 WeakPolarHBondContact O-CB 3.2Å; V257-R260 PolarHBondContact O-N 3.37Å; V257-C261 PolarHBondContact O-N 3Å
258	L	85.4	Confident	87.6	Confident	93 Å²	93	50.4 Å²	50.4	49%	0.487	27%	0.274	S	S	.	.	H	α-helix	trans	-60.9	-38.9	174	-74	170.6	0	0	0	111.3	C254 W255 R260 C261 C262 M266	C254-L258 WeakPolarHBondContact O-CB 3.3Å; C254-L258 VanDerWaalsContact O-CG 3.27Å; C254-L258 WeakPolarHBondContact O-CG 3.35Å; C254-L258 PolarHBondContact O-N 3.42Å; W255-L258 WeakPolarHBondContact O-CB 3.31Å; W255-L258 PolarHBondContact O-N 3.35Å; L258-R260 PolarHBondContact O-N 2.96Å; L258-R260 VanDerWaalsContact O-N 3.15Å; L258-C261 PolarHBondContact O-N 3.34Å; L258-C261 VanDerWaalsContact O-N 3.13Å; L258-C262 PolarHBondContact O-N 2.97Å; L258-C262 VanDerWaalsContact O-N 3.11Å; L258-M266 HydrophobicContact CB-SD 4.03Å
259	L	84.6	Confident	87.2	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-58.8	-24.8	172.6	-74.4	172.9	0	0	0	112.6	W255 I256 V257 T263 M266 I609 L610 F673	W255-L259 PolarHBondContact O-N 3.49Å; I256-L259 WeakPolarHBondContact O-CB 3.42Å; I256-L259 PolarHBondContact O-N 2.96Å; V257-L259 VanDerWaalsContact C-N 3.28Å; V257-L259 PolarHBondContact O-N 3.32Å; L259-T263 WeakPolarHBondContact O-CA 3.01Å; L259-T263 WeakPolarHBondContact O-CB 3.25Å; L259-T263 PolarHBondContact O-N 3.39Å; L259-T263 PolarHBondContact O-OG1 3.18Å; L259-M266 HydrophobicContact CD2-CE 3.62Å; L259-M266 HydrophobicContact CD2-SD 3.8Å; L259-M266 HydrophobicContact CG-CE 4.04Å; L259-M266 HydrophobicContact CG-SD 4.22Å; L259-I609 HydrophobicContact CD2-CG2 3.64Å; L259-L610 HydrophobicContact CD1-CD2 4.15Å; L259-F673 HydrophobicContact CD1-CE1 4.46Å; L259-F673 HydrophobicContact CD1-CE2 4.15Å; L259-F673 HydrophobicContact CD1-CZ 4.08Å
260	R	81.8	Confident	87.1	Confident	132 Å²	132	52.3 Å²	52.3	50%	0.498	29%	0.287	S	S	.	.	H	α-helix	trans	-76.8	-46.5	172.5	175.3	-179.2	169.8	-169.9	1.4	112.7	I256 V257 L258 C262 S354 S358	I256-R260 PolarHBondContact O-N 3.39Å; V257-R260 WeakPolarHBondContact O-CA 3.27Å; V257-R260 VanDerWaalsContact O-CB 3.26Å; V257-R260 WeakPolarHBondContact O-CB 3.2Å; V257-R260 PolarHBondContact O-N 3.37Å; L258-R260 PolarHBondContact O-N 2.96Å; L258-R260 VanDerWaalsContact O-N 3.15Å; R260-C262 VanDerWaalsContact C-N 3.27Å; R260-C262 PolarHBondContact O-N 2.88Å; R260-S354 VanDerWaalsContact CA-OG 3.3Å; R260-S354 WeakPolarHBondContact CA-OG 3.27Å; R260-S358 VanDerWaalsContact CD-OG 3.24Å; R260-S358 WeakPolarHBondContact CD-OG 3.31Å; R260-S358 VanDerWaalsContact NH1-CB 3.32Å
261	C	80.1	Confident	86.9	Confident	94 Å²	94	49.2 Å²	49.2	64%	0.635	27%	0.267	S	S	*	.	H	α-helix	trans	-66.5	-32.7	-175.5	-66.7	0	0	0	0	112.1	V257 L258	V257-C261 PolarHBondContact O-N 3Å; L258-C261 PolarHBondContact O-N 3.34Å; L258-C261 VanDerWaalsContact O-N 3.13Å
262	C	83.1	Confident	86.8	Confident	57 Å²	57	52.1 Å²	52.1	39%	0.385	28%	0.282	S	S	.	.	H	α-helix	trans	-145	35.3	-163.7	-69.8	0	0	0	0	113.7	L258 R260 S264 V265 M266	L258-C262 PolarHBondContact O-N 2.97Å; L258-C262 VanDerWaalsContact O-N 3.11Å; R260-C262 VanDerWaalsContact C-N 3.27Å; R260-C262 PolarHBondContact O-N 2.88Å; C262-S264 VanDerWaalsContact C-N 3.3Å; C262-S264 PolarHBondContact O-N 3.4Å; C262-S264 VanDerWaalsContact O-N 3.16Å; C262-V265 HydrophobicContact CB-CB 4.14Å; C262-V265 PolarHBondContact O-N 3.47Å; C262-M266 HydrophobicContact CB-CG 4.21Å; C262-M266 WeakPolarHBondContact O-CB 3.36Å; C262-M266 WeakPolarHBondContact O-CG 3.29Å; C262-M266 PolarHBondContact O-N 2.71Å
263	T	84.5	Confident	86.7	Confident	5 Å²	5	58 Å²	58	3%	0.031	31%	0.312	C	S	.	.	H	α-helix	trans	-50.2	-48.5	-175.7	-35.7	0	0	0	0	113	L259 M266 V267 I347 L350 N351	L259-T263 WeakPolarHBondContact O-CA 3.01Å; L259-T263 WeakPolarHBondContact O-CB 3.25Å; L259-T263 PolarHBondContact O-N 3.39Å; L259-T263 PolarHBondContact O-OG1 3.18Å; T263-M266 PolarHBondContact O-N 2.86Å; T263-V267 WeakPolarHBondContact O-CB 3.27Å; T263-V267 VanDerWaalsContact O-CG2 3.24Å; T263-V267 WeakPolarHBondContact O-CG2 3.35Å; T263-V267 PolarHBondContact O-N 2.9Å; T263-I347 HydrophobicContact CG2-CG2 4.36Å; T263-L350 HydrophobicContact CG2-CB 3.55Å; T263-L350 HydrophobicContact CG2-CD2 4.47Å; T263-N351 HydrophobicContact CG2-CB 4.34Å; T263-N351 WeakPolarHBondContact OG1-CA 3.31Å; T263-N351 WeakPolarHBondContact OG1-CB 3.48Å; T263-N351 PolarHBondContact OG1-OD1 3.05Å
264	S	87.6	Confident	86.8	Confident	61 Å²	61	57.1 Å²	57.1	43%	0.427	31%	0.308	S	S	.	.	H	α-helix	trans	-64.1	-46.1	-178.9	-172.3	0	0	0	0	111.4	C262 V267 W268	C262-S264 VanDerWaalsContact C-N 3.3Å; C262-S264 PolarHBondContact O-N 3.4Å; C262-S264 VanDerWaalsContact O-N 3.16Å; S264-V267 PolarHBondContact O-N 3.32Å; S264-W268 PolarHBondContact O-N 2.8Å
265	V	89.9	Confident	87	Confident	88 Å²	88	55.7 Å²	55.7	53%	0.533	30%	0.298	S	S	.	.	H	α-helix	trans	-62.4	-50.6	178.9	178.9	0	0	0	0	109.6	C262 V267 W268 T269	C262-V265 HydrophobicContact CB-CB 4.14Å; C262-V265 PolarHBondContact O-N 3.47Å; V265-V267 VanDerWaalsContact C-N 3.33Å; V265-V267 PolarHBondContact O-N 2.91Å; V265-W268 PolarHBondContact O-N 3.16Å; V265-T269 HydrophobicContact CG1-CG2 3.84Å; V265-T269 WeakPolarHBondContact O-CB 3.25Å; V265-T269 VanDerWaalsContact O-CG2 3.27Å; V265-T269 WeakPolarHBondContact O-CG2 3.5Å; V265-T269 PolarHBondContact O-N 3.27Å; V265-T269 PolarHBondContact O-OG1 3.39Å
266	M	87.4	Confident	87.2	Confident	22 Å²	22	56.5 Å²	56.5	11%	0.108	31%	0.312	C	S	.	.	H	α-helix	trans	-57	-43.8	179.4	-73.3	-176.8	69.8	0	0	112.5	W255 L258 L259 C262 T263 T269 T270	W255-M266 HydrophobicContact CD2-CE 4.14Å; W255-M266 HydrophobicContact CE3-CE 4.08Å; W255-M266 HydrophobicContact CH2-CE 3.42Å; W255-M266 VanDerWaalsContact CH2-CE 3.42Å; W255-M266 HydrophobicContact CZ2-CE 3.45Å; W255-M266 VanDerWaalsContact CZ2-CE 3.45Å; W255-M266 HydrophobicContact CZ3-CE 3.74Å; L258-M266 HydrophobicContact CB-SD 4.03Å; L259-M266 HydrophobicContact CD2-CE 3.62Å; L259-M266 HydrophobicContact CD2-SD 3.8Å; L259-M266 HydrophobicContact CG-CE 4.04Å; L259-M266 HydrophobicContact CG-SD 4.22Å; C262-M266 HydrophobicContact CB-CG 4.21Å; C262-M266 WeakPolarHBondContact O-CB 3.36Å; C262-M266 WeakPolarHBondContact O-CG 3.29Å; C262-M266 PolarHBondContact O-N 2.71Å; T263-M266 PolarHBondContact O-N 2.86Å; M266-T269 WeakPolarHBondContact CA-OG1 3.45Å; M266-T269 PolarHBondContact O-OG1 3.47Å; M266-T269 VanDerWaalsContact O-OG1 3.06Å; M266-T270 WeakPolarHBondContact O-CB 3.5Å; M266-T270 WeakPolarHBondContact O-CG2 3.25Å; M266-T270 PolarHBondContact O-N 2.98Å; M266-T270 PolarHBondContact O-OG1 3Å
267	V	88.9	Confident	87.5	Confident	1 Å²	1	61.5 Å²	61.5	1%	0.006	34%	0.338	C	S	.	.	H	α-helix	trans	-66.1	-48	178.3	174.6	0	0	0	0	110.7	T263 S264 V265 T270 L271 I347 V605 I609	T263-V267 WeakPolarHBondContact O-CB 3.27Å; T263-V267 VanDerWaalsContact O-CG2 3.24Å; T263-V267 WeakPolarHBondContact O-CG2 3.35Å; T263-V267 PolarHBondContact O-N 2.9Å; S264-V267 PolarHBondContact O-N 3.32Å; V265-V267 VanDerWaalsContact C-N 3.33Å; V265-V267 PolarHBondContact O-N 2.91Å; V267-T270 PolarHBondContact O-N 2.87Å; V267-T270 PolarHBondContact O-OG1 3.38Å; V267-L271 HydrophobicContact CG1-CD1 3.86Å; V267-L271 HydrophobicContact CG1-CG 4.4Å; V267-L271 WeakPolarHBondContact O-CB 3.38Å; V267-L271 WeakPolarHBondContact O-CG 3.34Å; V267-L271 PolarHBondContact O-N 3.27Å; V267-I347 HydrophobicContact CB-CD1 4.16Å; V267-I347 HydrophobicContact CB-CG1 3.98Å; V267-I347 HydrophobicContact CG1-CD1 3.89Å; V267-I347 HydrophobicContact CG1-CG1 3.81Å; V267-I347 HydrophobicContact CG2-CG1 4.09Å; V267-V605 HydrophobicContact CG1-CG1 4.31Å; V267-I609 HydrophobicContact CB-CD1 4.32Å; V267-I609 HydrophobicContact CG2-CD1 3.84Å; V267-I609 HydrophobicContact CG2-CG1 4.02Å
268	W	89.9	Confident	88	Confident	85 Å²	85	61.2 Å²	61.2	32%	0.322	33%	0.333	S	S	.	.	H	α-helix	trans	-66.6	-40.9	178.5	-76.8	108.8	0	0	0	112.8	S264 V265 L271 I272 R340	S264-W268 PolarHBondContact O-N 2.8Å; V265-W268 PolarHBondContact O-N 3.16Å; W268-L271 PolarHBondContact O-N 3.36Å; W268-I272 WeakPolarHBondContact O-CB 3.35Å; W268-I272 WeakPolarHBondContact O-CD1 3.42Å; W268-I272 WeakPolarHBondContact O-CG1 3.4Å; W268-I272 PolarHBondContact O-N 2.81Å; W268-R340 HydrophobicContact CH2-CG 4.5Å
269	T	88.6	Confident	88.4	Confident	74 Å²	74	58.9 Å²	58.9	45%	0.454	32%	0.324	S	S	.	.	H	α-helix	trans	-64.2	-42.9	177.8	54.1	0	0	0	0	111.4	V265 M266 I272 L273	V265-T269 HydrophobicContact CG1-CG2 3.84Å; V265-T269 WeakPolarHBondContact O-CB 3.25Å; V265-T269 VanDerWaalsContact O-CG2 3.27Å; V265-T269 WeakPolarHBondContact O-CG2 3.5Å; V265-T269 PolarHBondContact O-N 3.27Å; V265-T269 PolarHBondContact O-OG1 3.39Å; M266-T269 WeakPolarHBondContact CA-OG1 3.45Å; M266-T269 PolarHBondContact O-OG1 3.47Å; M266-T269 VanDerWaalsContact O-OG1 3.06Å; T269-I272 PolarHBondContact O-N 3.29Å; T269-L273 WeakPolarHBondContact O-CB 3.22Å; T269-L273 PolarHBondContact O-N 3.41Å
270	T	88.6	Confident	89	Confident	19 Å²	19	65.8 Å²	65.8	12%	0.117	36%	0.355	C	S	.	.	H	α-helix	trans	-66.7	-40.4	177.2	51	0	0	0	0	111.9	M266 V267 L273 F274 I609 I612	M266-T270 WeakPolarHBondContact O-CB 3.5Å; M266-T270 WeakPolarHBondContact O-CG2 3.25Å; M266-T270 PolarHBondContact O-N 2.98Å; M266-T270 PolarHBondContact O-OG1 3Å; V267-T270 PolarHBondContact O-N 2.87Å; V267-T270 PolarHBondContact O-OG1 3.38Å; T270-L273 PolarHBondContact O-N 3.47Å; T270-F274 VanDerWaalsContact O-CB 3.27Å; T270-F274 WeakPolarHBondContact O-CB 3.4Å; T270-F274 PolarHBondContact O-N 3.42Å; T270-I609 HydrophobicContact CG2-CD1 4.22Å; T270-I609 WeakPolarHBondContact OG1-CD1 3.34Å; T270-I612 HydrophobicContact CG2-CG2 4.28Å
271	L	87.9	Confident	89.5	Confident	23 Å²	23	60.5 Å²	60.5	12%	0.12	34%	0.341	C	S	.	.	H	α-helix	trans	-63.9	-44.2	175.4	-70.9	175.4	0	0	0	111.9	V267 W268 F274 V275 L336 F608	V267-L271 HydrophobicContact CG1-CD1 3.86Å; V267-L271 HydrophobicContact CG1-CG 4.4Å; V267-L271 WeakPolarHBondContact O-CB 3.38Å; V267-L271 WeakPolarHBondContact O-CG 3.34Å; V267-L271 PolarHBondContact O-N 3.27Å; W268-L271 PolarHBondContact O-N 3.36Å; L271-F274 PolarHBondContact O-N 2.99Å; L271-V275 WeakPolarHBondContact O-CG2 3.36Å; L271-V275 PolarHBondContact O-N 2.91Å; L271-L336 HydrophobicContact CD1-CD2 3.77Å; L271-L336 HydrophobicContact CD2-CD2 3.81Å; L271-L336 HydrophobicContact CG-CD2 4.22Å; L271-F608 HydrophobicContact CD2-CE1 4.2Å
272	I	90.9	Very high	90.2	Very high	110 Å²	110	56.8 Å²	56.8	56%	0.564	32%	0.315	S	S	*	.	H	α-helix	trans	-65.2	-46.4	177.5	-69.4	164.7	0	0	0	110.6	W268 T269 F274 V275 A276	W268-I272 WeakPolarHBondContact O-CB 3.35Å; W268-I272 WeakPolarHBondContact O-CD1 3.42Å; W268-I272 WeakPolarHBondContact O-CG1 3.4Å; W268-I272 PolarHBondContact O-N 2.81Å; T269-I272 PolarHBondContact O-N 3.29Å; I272-F274 VanDerWaalsContact C-N 3.26Å; I272-F274 PolarHBondContact O-N 3.45Å; I272-V275 PolarHBondContact O-N 3.47Å; I272-A276 WeakPolarHBondContact O-CB 3.28Å; I272-A276 PolarHBondContact O-N 3.28Å
273	L	90.5	Very high	90.8	Very high	128 Å²	128	58.9 Å²	58.9	67%	0.67	33%	0.326	S	S	*	.	H	α-helix	trans	-60.7	-39	178.7	-163	96	0	0	0	111.1	T269 T270 A276 L277	T269-L273 WeakPolarHBondContact O-CB 3.22Å; T269-L273 PolarHBondContact O-N 3.41Å; T270-L273 PolarHBondContact O-N 3.47Å; L273-A276 PolarHBondContact O-N 2.93Å; L273-L277 WeakPolarHBondContact O-CB 3.47Å; L273-L277 PolarHBondContact O-N 3.22Å
274	F	87.5	Confident	91.4	Very high	60 Å²	60	62.6 Å²	62.6	26%	0.263	34%	0.342	S	S	.	.	H	α-helix	trans	-67.1	-43.9	177.7	-161.6	-104.9	0	0	0	112	T270 L271 I272 A276 L277 F278 I332 F608	T270-F274 VanDerWaalsContact O-CB 3.27Å; T270-F274 WeakPolarHBondContact O-CB 3.4Å; T270-F274 PolarHBondContact O-N 3.42Å; L271-F274 PolarHBondContact O-N 2.99Å; I272-F274 VanDerWaalsContact C-N 3.26Å; I272-F274 PolarHBondContact O-N 3.45Å; F274-A276 VanDerWaalsContact C-N 3.32Å; F274-A276 PolarHBondContact O-N 2.85Å; F274-L277 PolarHBondContact O-N 3.4Å; F274-F278 AromaticContact CD1-CD2 3.98Å; F274-F278 HydrophobicContact CD1-CD2 3.98Å; F274-F278 HydrophobicContact CD1-CE2 4.06Å; F274-F278 HydrophobicContact CD2-CE2 4.36Å; F274-F278 AromaticContact CE1-CD2 3.81Å; F274-F278 HydrophobicContact CE1-CD2 3.81Å; F274-F278 AromaticContact CE1-CE2 3.44Å; F274-F278 HydrophobicContact CE1-CE2 3.44Å; F274-F278 VanDerWaalsContact CE1-CE2 3.44Å; F274-F278 HydrophobicContact CE1-CZ 4.34Å; F274-F278 HydrophobicContact CE2-CD2 4.43Å; F274-F278 AromaticContact CE2-CE2 3.78Å; F274-F278 HydrophobicContact CE2-CE2 3.78Å; F274-F278 HydrophobicContact CG-CD2 4.4Å; F274-F278 HydrophobicContact CG-CE2 4.49Å; F274-F278 HydrophobicContact CZ-CD2 4.06Å; F274-F278 AromaticContact CZ-CE2 3.3Å; F274-F278 HydrophobicContact CZ-CE2 3.3Å; F274-F278 HydrophobicContact CZ-CZ 4.12Å; F274-F278 WeakPolarHBondContact O-CD2 3.46Å; F274-F278 PolarHBondContact O-N 3.4Å; F274-I332 HydrophobicContact CD1-CD1 4.05Å; F274-I332 HydrophobicContact CE1-CD1 3.58Å; F274-I332 HydrophobicContact CE1-CG1 4.46Å; F274-F608 HydrophobicContact CB-CZ 4.07Å; F274-F608 HydrophobicContact CD1-CZ 4.35Å; F274-F608 AromaticContact CD2-CE2 3.83Å; F274-F608 HydrophobicContact CD2-CE2 3.83Å; F274-F608 AromaticContact CD2-CZ 3.65Å; F274-F608 HydrophobicContact CD2-CZ 3.65Å; F274-F608 HydrophobicContact CE1-CE2 4.46Å; F274-F608 AromaticContact CE2-CE2 3.74Å; F274-F608 HydrophobicContact CE2-CE2 3.74Å; F274-F608 HydrophobicContact CE2-CZ 4.07Å; F274-F608 HydrophobicContact CG-CE2 4.24Å; F274-F608 AromaticContact CG-CZ 3.79Å; F274-F608 HydrophobicContact CG-CZ 3.79Å; F274-F608 HydrophobicContact CZ-CE2 4.05Å
275	V	92.5	Very high	91.7	Very high	27 Å²	27	60.4 Å²	60.4	16%	0.164	33%	0.327	C	S	.	.	H	α-helix	trans	-61.2	-43.3	173.3	170.6	0	0	0	0	110.5	L271 I272 L277 F278 S279 L329 I332 L333 L336	L271-V275 WeakPolarHBondContact O-CG2 3.36Å; L271-V275 PolarHBondContact O-N 2.91Å; I272-V275 PolarHBondContact O-N 3.47Å; V275-L277 PolarHBondContact O-N 2.97Å; V275-F278 PolarHBondContact O-N 3.35Å; V275-S279 VanDerWaalsContact O-CB 3.29Å; V275-S279 WeakPolarHBondContact O-CB 3.32Å; V275-S279 PolarHBondContact O-N 2.98Å; V275-S279 PolarHBondContact O-OG 2.76Å; V275-L329 HydrophobicContact CG1-CD1 4.09Å; V275-I332 HydrophobicContact CG2-CG2 4.09Å; V275-L333 HydrophobicContact CG1-CD2 3.91Å; V275-L333 HydrophobicContact CG2-CD2 4.21Å; V275-L336 HydrophobicContact CG2-CD1 3.73Å
276	A	94.1	Very high	91.9	Very high	53 Å²	53	59.8 Å²	59.8	44%	0.438	32%	0.317	S	S	.	.	H	α-helix	trans	-62.5	-42.8	177.6	0	0	0	0	0	111.9	I272 L273 F274 S279 F280	I272-A276 WeakPolarHBondContact O-CB 3.28Å; I272-A276 PolarHBondContact O-N 3.28Å; L273-A276 PolarHBondContact O-N 2.93Å; F274-A276 VanDerWaalsContact C-N 3.32Å; F274-A276 PolarHBondContact O-N 2.85Å; A276-S279 PolarHBondContact O-N 3.39Å; A276-F280 VanDerWaalsContact O-CB 3.3Å; A276-F280 WeakPolarHBondContact O-CB 3.25Å; A276-F280 PolarHBondContact O-N 2.99Å
277	L	92.6	Very high	92.2	Very high	109 Å²	109	65.6 Å²	65.6	57%	0.571	34%	0.339	S	S	*	.	H	α-helix	trans	-60.5	-48.6	176.7	-171.6	93.2	0	0	0	111.7	L273 F274 V275 F280 G281	L273-L277 WeakPolarHBondContact O-CB 3.47Å; L273-L277 PolarHBondContact O-N 3.22Å; F274-L277 PolarHBondContact O-N 3.4Å; V275-L277 PolarHBondContact O-N 2.97Å; L277-F280 PolarHBondContact O-N 3.27Å; L277-G281 PolarHBondContact O-N 3.17Å
278	F	91.5	Very high	92.3	Very high	45 Å²	45	70 Å²	70	20%	0.197	36%	0.355	C	S	.	.	H	α-helix	trans	-68.5	-34.8	178.1	-89.4	-91.3	0	0	0	112.4	F274 V275 T282 S325 L328 L329 I332	F274-F278 AromaticContact CD1-CD2 3.98Å; F274-F278 HydrophobicContact CD1-CD2 3.98Å; F274-F278 HydrophobicContact CD1-CE2 4.06Å; F274-F278 HydrophobicContact CD2-CE2 4.36Å; F274-F278 AromaticContact CE1-CD2 3.81Å; F274-F278 HydrophobicContact CE1-CD2 3.81Å; F274-F278 AromaticContact CE1-CE2 3.44Å; F274-F278 HydrophobicContact CE1-CE2 3.44Å; F274-F278 VanDerWaalsContact CE1-CE2 3.44Å; F274-F278 HydrophobicContact CE1-CZ 4.34Å; F274-F278 HydrophobicContact CE2-CD2 4.43Å; F274-F278 AromaticContact CE2-CE2 3.78Å; F274-F278 HydrophobicContact CE2-CE2 3.78Å; F274-F278 HydrophobicContact CG-CD2 4.4Å; F274-F278 HydrophobicContact CG-CE2 4.49Å; F274-F278 HydrophobicContact CZ-CD2 4.06Å; F274-F278 AromaticContact CZ-CE2 3.3Å; F274-F278 HydrophobicContact CZ-CE2 3.3Å; F274-F278 HydrophobicContact CZ-CZ 4.12Å; F274-F278 WeakPolarHBondContact O-CD2 3.46Å; F274-F278 PolarHBondContact O-N 3.4Å; V275-F278 PolarHBondContact O-N 3.35Å; F278-T282 VanDerWaalsContact O-CB 3.3Å; F278-T282 WeakPolarHBondContact O-CB 3.48Å; F278-T282 PolarHBondContact O-N 2.97Å; F278-T282 PolarHBondContact O-OG1 3.26Å; F278-S325 PolarHBondContact O-OG 3.08Å; F278-L328 HydrophobicContact CD1-CB 4.25Å; F278-L328 HydrophobicContact CE1-CB 3.93Å; F278-L328 HydrophobicContact CE1-CD1 3.92Å; F278-L329 HydrophobicContact CB-CB 4.26Å; F278-L329 HydrophobicContact CB-CD1 3.83Å; F278-I332 HydrophobicContact CD2-CD1 4.31Å; F278-I332 HydrophobicContact CE2-CD1 4.44Å; F278-I332 HydrophobicContact CG-CD1 4.45Å
279	S	94.9	Very high	92.3	Very high	44 Å²	44	69.2 Å²	69.2	31%	0.308	35%	0.352	S	S	.	.	H	α-helix	trans	-64	-50.3	174.6	-56.5	0	0	0	0	110.5	V275 A276 T282 V283	V275-S279 VanDerWaalsContact O-CB 3.29Å; V275-S279 WeakPolarHBondContact O-CB 3.32Å; V275-S279 PolarHBondContact O-N 2.98Å; V275-S279 PolarHBondContact O-OG 2.76Å; A276-S279 PolarHBondContact O-N 3.39Å; S279-T282 PolarHBondContact O-N 3.47Å; S279-V283 WeakPolarHBondContact O-CG2 3.44Å; S279-V283 PolarHBondContact O-N 3.48Å
280	F	95.8	Very high	92.3	Very high	145 Å²	145	68.1 Å²	68.1	64%	0.636	35%	0.347	S	S	*	.	H	α-helix	trans	-60.9	-47.3	176	176.2	-98.5	0	0	0	111.9	A276 L277 T282 V283 F284	A276-F280 VanDerWaalsContact O-CB 3.3Å; A276-F280 WeakPolarHBondContact O-CB 3.25Å; A276-F280 PolarHBondContact O-N 2.99Å; L277-F280 PolarHBondContact O-N 3.27Å; F280-T282 VanDerWaalsContact C-N 3.31Å; F280-T282 PolarHBondContact O-N 2.76Å; F280-V283 PolarHBondContact O-N 2.94Å; F280-F284 HydrophobicContact CE1-CB 4.36Å; F280-F284 HydrophobicContact CZ-CB 4.48Å; F280-F284 HydrophobicContact CZ-CD2 4.36Å; F280-F284 VanDerWaalsContact O-CB 3.25Å; F280-F284 WeakPolarHBondContact O-CB 3.49Å; F280-F284 PolarHBondContact O-N 3.5Å
281	G	93.3	Very high	92.4	Very high	21 Å²	21	70.2 Å²	70.2	22%	0.216	36%	0.36	C	S	.	.	H	α-helix	trans	-59.5	-41.3	178.3	0	0	0	0	0	112.4	L277 F284 C285	L277-G281 PolarHBondContact O-N 3.17Å; G281-F284 PolarHBondContact O-N 3.2Å; G281-C285 WeakPolarHBondContact O-CB 3.26Å; G281-C285 PolarHBondContact O-N 3.44Å; G281-C285 PolarHBondContact O-SG 2.99Å
282	T	94.9	Very high	92.3	Very high	15 Å²	15	70 Å²	70	9%	0.092	36%	0.359	C	S	.	.	H	α-helix	trans	-62.2	-51	175.5	-55.6	0	0	0	0	111	F278 S279 F280 F284 C285 F286 S325 A326	F278-T282 VanDerWaalsContact O-CB 3.3Å; F278-T282 WeakPolarHBondContact O-CB 3.48Å; F278-T282 PolarHBondContact O-N 2.97Å; F278-T282 PolarHBondContact O-OG1 3.26Å; S279-T282 PolarHBondContact O-N 3.47Å; F280-T282 VanDerWaalsContact C-N 3.31Å; F280-T282 PolarHBondContact O-N 2.76Å; T282-F284 VanDerWaalsContact C-N 3.35Å; T282-F284 PolarHBondContact O-N 3.41Å; T282-C285 PolarHBondContact O-N 3.41Å; T282-F286 HydrophobicContact CG2-CD2 3.83Å; T282-F286 HydrophobicContact CG2-CE2 3.7Å; T282-F286 WeakPolarHBondContact O-CD2 3.48Å; T282-F286 PolarHBondContact O-N 3.4Å; T282-S325 WeakPolarHBondContact OG1-CB 3.5Å; T282-S325 PolarHBondContact OG1-OG 2.96Å; T282-A326 HydrophobicContact CG2-CB 3.74Å
283	V	96	Very high	91.9	Very high	102 Å²	102	72.8 Å²	72.8	62%	0.618	36%	0.363	S	S	*	.	H	α-helix	trans	-61	-44.1	178.5	173.2	0	0	0	0	111.2	S279 F280 F286 Y287	S279-V283 WeakPolarHBondContact O-CG2 3.44Å; S279-V283 PolarHBondContact O-N 3.48Å; F280-V283 PolarHBondContact O-N 2.94Å; V283-F286 PolarHBondContact O-N 3.02Å; V283-Y287 WeakPolarHBondContact O-CB 3.15Å; V283-Y287 PolarHBondContact O-N 3.29Å
284	F	95.6	Very high	91.6	Very high	83 Å²	83	75 Å²	75	36%	0.364	37%	0.367	S	S	.	.	H	α-helix	trans	-63.2	-43.3	178.9	-177.1	-98.7	0	0	0	112	F280 G281 T282 Y287 R288 W318	F280-F284 HydrophobicContact CE1-CB 4.36Å; F280-F284 HydrophobicContact CZ-CB 4.48Å; F280-F284 HydrophobicContact CZ-CD2 4.36Å; F280-F284 VanDerWaalsContact O-CB 3.25Å; F280-F284 WeakPolarHBondContact O-CB 3.49Å; F280-F284 PolarHBondContact O-N 3.5Å; G281-F284 PolarHBondContact O-N 3.2Å; T282-F284 VanDerWaalsContact C-N 3.35Å; T282-F284 PolarHBondContact O-N 3.41Å; F284-Y287 PolarHBondContact O-N 3.38Å; F284-R288 HydrophobicContact CD1-CG 4.07Å; F284-R288 HydrophobicContact CE1-CG 3.64Å; F284-R288 HydrophobicContact CE2-CG 4.2Å; F284-R288 HydrophobicContact CZ-CG 3.71Å; F284-R288 WeakPolarHBondContact O-CB 3.48Å; F284-R288 WeakPolarHBondContact O-CG 3.21Å; F284-R288 PolarHBondContact O-N 3.47Å; F284-W318 HydrophobicContact CD1-CZ3 4.1Å; F284-W318 AromaticContact CE1-CH2 3.94Å; F284-W318 HydrophobicContact CE1-CH2 3.94Å; F284-W318 AromaticContact CE1-CZ3 3.92Å; F284-W318 HydrophobicContact CE1-CZ3 3.92Å
285	C	94.3	Very high	91.2	Very high	14 Å²	14	75.6 Å²	75.6	10%	0.095	38%	0.375	C	S	.	.	H	α-helix	trans	-61.3	-45.8	175.6	-74.4	0	0	0	0	111.8	G281 T282 Y287 R288 W289 W318	G281-C285 WeakPolarHBondContact O-CB 3.26Å; G281-C285 PolarHBondContact O-N 3.44Å; G281-C285 PolarHBondContact O-SG 2.99Å; T282-C285 PolarHBondContact O-N 3.41Å; C285-Y287 VanDerWaalsContact C-N 3.34Å; C285-Y287 PolarHBondContact O-N 3.21Å; C285-R288 PolarHBondContact O-N 3.3Å; C285-W289 WeakPolarHBondContact O-CB 3.27Å; C285-W289 PolarHBondContact O-N 3.05Å; C285-W318 HydrophobicContact CB-CE3 4.25Å
286	F	94.1	Very high	89.8	Confident	75 Å²	75	80.8 Å²	80.8	33%	0.329	41%	0.41	S	S	.	.	H	α-helix	trans	-66.3	-36.1	176.5	-80.3	-66.9	0	0	0	112.7	T282 V283 W289 S290 L319 I323	T282-F286 HydrophobicContact CG2-CD2 3.83Å; T282-F286 HydrophobicContact CG2-CE2 3.7Å; T282-F286 WeakPolarHBondContact O-CD2 3.48Å; T282-F286 PolarHBondContact O-N 3.4Å; V283-F286 PolarHBondContact O-N 3.02Å; F286-W289 HydrophobicContact CD1-CE3 4.19Å; F286-S290 WeakPolarHBondContact O-CB 3.22Å; F286-S290 PolarHBondContact O-N 3.16Å; F286-L319 HydrophobicContact CE1-CD1 4.49Å; F286-I323 HydrophobicContact CZ-CG1 4.3Å
287	Y	93.7	Very high	88.2	Confident	145 Å²	145	84.8 Å²	84.8	57%	0.569	42%	0.419	S	S	*	.	H	α-helix	trans	-62.9	-49.9	173	174	-98.9	0	0	0	111.5	V283 F284 C285 W289 S290 V291	V283-Y287 WeakPolarHBondContact O-CB 3.15Å; V283-Y287 PolarHBondContact O-N 3.29Å; F284-Y287 PolarHBondContact O-N 3.38Å; C285-Y287 VanDerWaalsContact C-N 3.34Å; C285-Y287 PolarHBondContact O-N 3.21Å; Y287-W289 VanDerWaalsContact C-N 3.34Å; Y287-W289 PolarHBondContact O-N 2.88Å; Y287-S290 WeakPolarHBondContact O-CB 3.26Å; Y287-S290 PolarHBondContact O-N 3.39Å; Y287-S290 VanDerWaalsContact O-N 3.14Å; Y287-V291 HydrophobicContact CD1-CG2 4.49Å; Y287-V291 HydrophobicContact CE1-CG2 4.02Å; Y287-V291 HydrophobicContact CE2-CG2 4.11Å; Y287-V291 WeakPolarHBondContact O-CG2 3.31Å; Y287-V291 PolarHBondContact O-N 3.01Å
288	R	90.8	Very high	86.5	Confident	92 Å²	92	80.4 Å²	80.4	35%	0.347	40%	0.4	S	S	.	.	H	α-helix	trans	-60.7	-43	177.5	-72.8	-67.1	-65.7	-158.7	-2.3	111.8	F284 C285 S290 V291 L292 W318	F284-R288 HydrophobicContact CD1-CG 4.07Å; F284-R288 HydrophobicContact CE1-CG 3.64Å; F284-R288 HydrophobicContact CE2-CG 4.2Å; F284-R288 HydrophobicContact CZ-CG 3.71Å; F284-R288 WeakPolarHBondContact O-CB 3.48Å; F284-R288 WeakPolarHBondContact O-CG 3.21Å; F284-R288 PolarHBondContact O-N 3.47Å; C285-R288 PolarHBondContact O-N 3.3Å; R288-S290 VanDerWaalsContact C-N 3.35Å; R288-S290 PolarHBondContact O-N 2.98Å; R288-V291 PolarHBondContact O-N 2.93Å; R288-L292 WeakPolarHBondContact O-CB 3.38Å; R288-L292 VanDerWaalsContact O-CD1 3.25Å; R288-L292 WeakPolarHBondContact O-CD1 3.44Å; R288-L292 PolarHBondContact O-N 2.98Å; R288-W318 HydrophobicContact CB-CD2 3.81Å; R288-W318 HydrophobicContact CB-CE3 4.01Å; R288-W318 HydrophobicContact CB-CG 4.05Å; R288-W318 HydrophobicContact CG-CD2 4.42Å; R288-W318 HydrophobicContact CG-CE3 4.36Å; R288-W318 HydrophobicContact CG-CH2 4.49Å; R288-W318 HydrophobicContact CG-CZ3 4.39Å
289	W	89.9	Confident	84.8	Confident	69 Å²	69	81.6 Å²	81.6	26%	0.261	41%	0.414	S	S	.	.	H	α-helix	trans	-58.7	-45.5	173.3	169.2	69.5	0	0	0	112	C285 F286 Y287 V291 L292 R293 W318 L319	C285-W289 WeakPolarHBondContact O-CB 3.27Å; C285-W289 PolarHBondContact O-N 3.05Å; F286-W289 HydrophobicContact CD1-CE3 4.19Å; Y287-W289 VanDerWaalsContact C-N 3.34Å; Y287-W289 PolarHBondContact O-N 2.88Å; W289-V291 VanDerWaalsContact C-N 3.32Å; W289-V291 PolarHBondContact O-N 3.01Å; W289-L292 PolarHBondContact O-N 3.45Å; W289-R293 VanDerWaalsContact O-CB 3.31Å; W289-R293 WeakPolarHBondContact O-CB 3.37Å; W289-R293 PolarHBondContact O-N 3.45Å; W289-W318 HydrophobicContact CB-CB 4.08Å; W289-L319 HydrophobicContact CD2-CD1 3.69Å; W289-L319 VanDerWaalsContact CE2-CD1 3.4Å; W289-L319 HydrophobicContact CE3-CD1 4.22Å; W289-L319 HydrophobicContact CG-CB 4.14Å; W289-L319 HydrophobicContact CG-CD1 4.09Å; W289-L319 HydrophobicContact CH2-CD1 4.18Å; W289-L319 HydrophobicContact CZ2-CD1 3.68Å; W289-L319 HydrophobicContact CZ3-CD1 4.44Å
290	S	89.7	Confident	82.9	Confident	51 Å²	51	84.5 Å²	84.5	36%	0.357	43%	0.426	S	S	.	.	H	α-helix	trans	-59.1	-41.7	177.7	178.5	0	0	0	0	112.6	F286 Y287 R288	F286-S290 WeakPolarHBondContact O-CB 3.22Å; F286-S290 PolarHBondContact O-N 3.16Å; Y287-S290 WeakPolarHBondContact O-CB 3.26Å; Y287-S290 PolarHBondContact O-N 3.39Å; Y287-S290 VanDerWaalsContact O-N 3.14Å; R288-S290 VanDerWaalsContact C-N 3.35Å; R288-S290 PolarHBondContact O-N 2.98Å
291	V	89.3	Confident	81	Confident	64 Å²	64	83.6 Å²	83.6	39%	0.388	43%	0.428	S	S	.	.	H	α-helix	trans	-68.8	-51.8	177.6	174	0	0	0	0	110.8	Y287 R288 W289 R293 K294 T295	Y287-V291 HydrophobicContact CD1-CG2 4.49Å; Y287-V291 HydrophobicContact CE1-CG2 4.02Å; Y287-V291 HydrophobicContact CE2-CG2 4.11Å; Y287-V291 WeakPolarHBondContact O-CG2 3.31Å; Y287-V291 PolarHBondContact O-N 3.01Å; R288-V291 PolarHBondContact O-N 2.93Å; W289-V291 VanDerWaalsContact C-N 3.32Å; W289-V291 PolarHBondContact O-N 3.01Å; V291-R293 VanDerWaalsContact C-N 3.28Å; V291-R293 PolarHBondContact O-N 3.02Å; V291-K294 PolarHBondContact O-N 3.01Å; V291-K294 VanDerWaalsContact O-N 3.1Å; V291-T295 PolarHBondContact O-OG1 3.35Å
292	L	86	Confident	79.2	Confident	18 Å²	18	87.6 Å²	87.6	9%	0.094	44%	0.444	C	S	.	.	H	α-helix	trans	-65	-31.8	-174.8	-92.8	73.3	0	0	0	112.9	R288 W289 K294 T295 R313 A315	R288-L292 WeakPolarHBondContact O-CB 3.38Å; R288-L292 VanDerWaalsContact O-CD1 3.25Å; R288-L292 WeakPolarHBondContact O-CD1 3.44Å; R288-L292 PolarHBondContact O-N 2.98Å; W289-L292 PolarHBondContact O-N 3.45Å; L292-K294 PolarHBondContact O-N 3.3Å; L292-T295 WeakPolarHBondContact CA-OG1 3.45Å; L292-T295 PolarHBondContact O-N 2.93Å; L292-T295 PolarHBondContact O-OG1 2.72Å; L292-R313 WeakPolarHBondContact CD2-O 3.21Å; L292-A315 HydrophobicContact CB-CB 3.96Å
293	R	82.4	Confident	77.4	Confident	169 Å²	169	94.7 Å²	94.7	64%	0.638	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-23.3	176.6	-172.2	177.6	-177.9	-167.2	0.1	113.2	W289 V291	W289-R293 VanDerWaalsContact O-CB 3.31Å; W289-R293 WeakPolarHBondContact O-CB 3.37Å; W289-R293 PolarHBondContact O-N 3.45Å; V291-R293 VanDerWaalsContact C-N 3.28Å; V291-R293 PolarHBondContact O-N 3.02Å
294	K	84.7	Confident	75.5	Confident	174 Å²	174	99 Å²	99	76%	0.757	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-17.6	-179.6	-66.4	179.3	-178.7	-178.6	0	113.3	V291 L292	V291-K294 PolarHBondContact O-N 3.01Å; V291-K294 VanDerWaalsContact O-N 3.1Å; L292-K294 PolarHBondContact O-N 3.3Å
295	T	78.5	Confident	73.9	Confident	72 Å²	72	96.6 Å²	96.6	44%	0.442	48%	0.48	S	S	.	.	S	Bend	trans	-86.5	133.6	178.8	22.1	0	0	0	0	111.3	V291 L292 E297 G298	V291-T295 PolarHBondContact O-OG1 3.35Å; L292-T295 WeakPolarHBondContact CA-OG1 3.45Å; L292-T295 PolarHBondContact O-N 2.93Å; L292-T295 PolarHBondContact O-OG1 2.72Å; T295-E297 PolarHBondContact O-N 2.92Å; T295-G298 PolarHBondContact O-N 3.35Å
296	P	63.5	Low	72.5	Confident	137 Å²	137	104.5 Å²	104.5	89%	0.89	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-20.3	-177.2	24	-31.9	0	0	0	114	G298	P296-G298 VanDerWaalsContact C-N 3.29Å
297	E	60.9	Low	71.3	Confident	137 Å²	137	106.4 Å²	106.4	64%	0.64	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-4.2	173.1	-66.4	-167.2	172.5	0	0	114.2	T295 S299 R313	T295-E297 PolarHBondContact O-N 2.92Å; E297-S299 VanDerWaalsContact C-N 3.28Å; E297-S299 PolarHBondContact O-N 2.82Å; E297-R313 IonicContact OE2-CZ 2.63Å; E297-R313 IonicContact OE2-NE 3.23Å; E297-R313 IonicContact OE2-NH2 3.89Å; E297-R313 PolarHBondContact OE2-NH2 3.47Å
298	G	56.8	Low	70.2	Confident	16 Å²	16	105.1 Å²	105.1	17%	0.165	54%	0.536	C	S	.	.			trans	-72.9	82	178.1	0	0	0	0	0	110.5	T295 P296 N300	T295-G298 PolarHBondContact O-N 3.35Å; P296-G298 VanDerWaalsContact C-N 3.29Å; G298-N300 PolarHBondContact O-N 3.03Å
299	S	55.2	Low	69.5	Low	70 Å²	70	105.7 Å²	105.7	49%	0.49	55%	0.55	S	S	.	.			trans	-59.8	125	173.3	60.7	0	0	0	0	109.6	E297	E297-S299 VanDerWaalsContact C-N 3.28Å; E297-S299 PolarHBondContact O-N 2.82Å
300	N	56.2	Low	68.8	Low	105 Å²	105	104.8 Å²	104.8	56%	0.561	55%	0.553	S	S	*	*			trans	-75.9	-17	175.8	-69.3	-38.8	0	0	0	111.8	G298 S316	G298-N300 PolarHBondContact O-N 3.03Å; N300-S316 PolarHBondContact O-OG 2.95Å
301	D	56.3	Low	67.9	Low	127 Å²	127	105.2 Å²	105.2	68%	0.679	55%	0.548	S	S	*	.	S	Bend	trans	-82.8	125.1	-174.9	-60.1	-32.4	0	0	0	111	E303	D301-E303 PolarHBondContact O-N 3.48Å; D301-E303 VanDerWaalsContact O-N 3.12Å
302	L	55.8	Low	67.4	Low	105 Å²	105	107.5 Å²	107.5	55%	0.55	55%	0.553	S	S	.	*			trans	-82.1	81.6	177.7	-167	80.9	0	0	0	109	Y311 T317	L302-Y311 HydrophobicContact CD1-CD1 4.3Å; L302-Y311 HydrophobicContact CD1-CE1 4.36Å; L302-T317 VanDerWaalsContact CD1-OG1 3.25Å; L302-T317 WeakPolarHBondContact CD1-OG1 3.3Å
303	E	56.8	Low	67	Low	163 Å²	163	114.1 Å²	114.1	76%	0.762	58%	0.576	S	S	*	*			trans	-71.8	127.8	170.6	-86.3	-168.6	147.5	0	0	110.9	D301 S305	D301-E303 PolarHBondContact O-N 3.48Å; D301-E303 VanDerWaalsContact O-N 3.12Å; E303-S305 PolarHBondContact O-N 3.05Å
304	F	54.8	Low	66.8	Low	193 Å²	193	106.4 Å²	106.4	85%	0.846	55%	0.548	S	S	*	.			trans	-76.5	91.4	178.7	-144.9	-85.1	0	0	0	109.5
305	S	62.3	Low	66.9	Low	32 Å²	32	98.1 Å²	98.1	22%	0.224	51%	0.513	C	S	.	.			trans	-111	142.5	178.9	100.2	0	0	0	0	110.8	E303 N307 S310 Y311	E303-S305 PolarHBondContact O-N 3.05Å; S305-N307 PolarHBondContact O-N 3.47Å; S305-N307 PolarHBondContact OG-N 3.35Å; S305-N307 PolarHBondContact OG-O 2.9Å; S305-N307 VanDerWaalsContact OG-O 3.12Å; S305-S310 WeakPolarHBondContact OG-CB 3.27Å; S305-S310 PolarHBondContact OG-OG 3.24Å; S305-Y311 WeakPolarHBondContact O-CE2 3.26Å
306	L	65.1	Low	67.2	Low	181 Å²	181	96.7 Å²	96.7	95%	0.948	51%	0.506	S	S	*	.	S	Bend	trans	-69.4	-10	172.1	-73.3	168.1	0	0	0	113.3	I308	L306-I308 PolarHBondContact O-N 2.84Å
307	N	69.1	Low	68.2	Low	114 Å²	114	91.3 Å²	91.3	61%	0.61	47%	0.47	S	S	*	.			trans	-80.6	110.4	175.8	-111.9	-32.7	0	0	0	109.9	S305 V309 S310	S305-N307 PolarHBondContact O-N 3.47Å; S305-N307 PolarHBondContact OG-N 3.35Å; S305-N307 PolarHBondContact OG-O 2.9Å; S305-N307 VanDerWaalsContact OG-O 3.12Å; N307-V309 PolarHBondContact O-N 3.5Å; N307-V309 VanDerWaalsContact O-N 3.16Å; N307-S310 WeakPolarHBondContact CB-OG 3.44Å; N307-S310 WeakPolarHBondContact O-CB 3.37Å; N307-S310 PolarHBondContact O-N 2.72Å; N307-S310 VanDerWaalsContact O-N 3.09Å; N307-S310 PolarHBondContact O-OG 3.47Å
308	I	70.5	Confident	69.7	Low	119 Å²	119	86.1 Å²	86.1	61%	0.61	44%	0.444	S	S	*	.	H	α-helix	trans	-56	-32.2	177.7	-74.9	168.2	0	0	0	111.8	L306 S310 Y311 F312	L306-I308 PolarHBondContact O-N 2.84Å; I308-S310 VanDerWaalsContact C-N 3.25Å; I308-S310 PolarHBondContact O-N 2.92Å; I308-Y311 PolarHBondContact O-N 3.45Å; I308-F312 HydrophobicContact CG2-CD2 3.92Å; I308-F312 HydrophobicContact CG2-CE2 3.39Å; I308-F312 HydrophobicContact CG2-CZ 4.3Å; I308-F312 WeakPolarHBondContact O-CD2 3.43Å
309	V	76.8	Confident	71.3	Confident	104 Å²	104	88 Å²	88	63%	0.63	45%	0.451	S	S	*	.	H	α-helix	trans	-61	-33.8	179.8	-177.2	0	0	0	0	112.1	N307 Y311 F312 R313	N307-V309 PolarHBondContact O-N 3.5Å; N307-V309 VanDerWaalsContact O-N 3.16Å; V309-Y311 VanDerWaalsContact C-N 3.33Å; V309-Y311 PolarHBondContact O-N 2.85Å; V309-F312 PolarHBondContact O-N 3.26Å; V309-R313 PolarHBondContact O-N 3.36Å
310	S	73.6	Confident	73	Confident	49 Å²	49	86.9 Å²	86.9	34%	0.343	45%	0.446	S	S	.	.	H	α-helix	trans	-62.4	-41.7	179.9	-33.2	0	0	0	0	111.5	S305 N307 I308 F312 R313 S314	S305-S310 WeakPolarHBondContact OG-CB 3.27Å; S305-S310 PolarHBondContact OG-OG 3.24Å; N307-S310 WeakPolarHBondContact CB-OG 3.44Å; N307-S310 WeakPolarHBondContact O-CB 3.37Å; N307-S310 PolarHBondContact O-N 2.72Å; N307-S310 VanDerWaalsContact O-N 3.09Å; N307-S310 PolarHBondContact O-OG 3.47Å; I308-S310 VanDerWaalsContact C-N 3.25Å; I308-S310 PolarHBondContact O-N 2.92Å; S310-F312 VanDerWaalsContact C-N 3.32Å; S310-F312 PolarHBondContact O-N 3.49Å; S310-R313 PolarHBondContact O-N 3.1Å; S310-R313 VanDerWaalsContact O-N 3.14Å; S310-S314 PolarHBondContact O-N 3.17Å
311	Y	72.7	Confident	74.7	Confident	61 Å²	61	85.7 Å²	85.7	24%	0.239	44%	0.439	C	S	.	.	H	α-helix	trans	-63.8	-37.7	178.2	-71.2	-74.6	0	0	0	111.9	L302 S305 I308 V309 R313 S314 T317	L302-Y311 HydrophobicContact CD1-CD1 4.3Å; L302-Y311 HydrophobicContact CD1-CE1 4.36Å; S305-Y311 WeakPolarHBondContact O-CE2 3.26Å; I308-Y311 PolarHBondContact O-N 3.45Å; V309-Y311 VanDerWaalsContact C-N 3.33Å; V309-Y311 PolarHBondContact O-N 2.85Å; Y311-R313 PolarHBondContact O-N 3.43Å; Y311-S314 PolarHBondContact O-N 3.02Å; Y311-T317 WeakPolarHBondContact O-CB 3.44Å; Y311-T317 PolarHBondContact O-OG1 2.95Å
312	F	78	Confident	76.5	Confident	111 Å²	111	79.7 Å²	79.7	49%	0.487	41%	0.407	S	S	.	.	H	α-helix	trans	-70.8	-17.3	177	-69.3	-56.9	0	0	0	113.9	I308 V309 S310 W318	I308-F312 HydrophobicContact CG2-CD2 3.92Å; I308-F312 HydrophobicContact CG2-CE2 3.39Å; I308-F312 HydrophobicContact CG2-CZ 4.3Å; I308-F312 WeakPolarHBondContact O-CD2 3.43Å; V309-F312 PolarHBondContact O-N 3.26Å; S310-F312 VanDerWaalsContact C-N 3.32Å; S310-F312 PolarHBondContact O-N 3.49Å; F312-W318 HydrophobicContact CD1-CH2 4.29Å; F312-W318 AromaticContact CD1-CZ2 3.84Å; F312-W318 HydrophobicContact CD1-CZ2 3.84Å; F312-W318 PolarHBondContact O-NE1 3.34Å
313	R	77.8	Confident	78.4	Confident	157 Å²	157	78.4 Å²	78.4	59%	0.592	40%	0.4	S	S	*	.	H	α-helix	trans	-92.2	-14.2	177.3	-152.4	173.8	-173.6	165.7	-1.9	113.2	L292 E297 V309 S310 Y311	L292-R313 WeakPolarHBondContact CD2-O 3.21Å; E297-R313 IonicContact OE2-CZ 2.63Å; E297-R313 IonicContact OE2-NE 3.23Å; E297-R313 IonicContact OE2-NH2 3.89Å; E297-R313 PolarHBondContact OE2-NH2 3.47Å; V309-R313 PolarHBondContact O-N 3.36Å; S310-R313 PolarHBondContact O-N 3.1Å; S310-R313 VanDerWaalsContact O-N 3.14Å; Y311-R313 PolarHBondContact O-N 3.43Å
314	S	78.9	Confident	80.2	Confident	7 Å²	7	75.3 Å²	75.3	5%	0.049	39%	0.387	C	S	.	.			trans	-84.9	126.6	179.9	174.6	0	0	0	0	112.1	S310 Y311 S316 T317 W318	S310-S314 PolarHBondContact O-N 3.17Å; Y311-S314 PolarHBondContact O-N 3.02Å; S314-S316 PolarHBondContact O-N 3.41Å; S314-T317 WeakPolarHBondContact CB-OG1 3.48Å; S314-T317 PolarHBondContact O-N 3.18Å; S314-W318 VanDerWaalsContact O-CD1 3.31Å
315	A	85.1	Confident	82.1	Confident	1 Å²	1	66.9 Å²	66.9	1%	0.008	35%	0.352	C	S	.	.	H	α-helix	trans	-62.3	-41.5	177.3	0	0	0	0	0	112.1	L292 T317 W318 L319	L292-A315 HydrophobicContact CB-CB 3.96Å; A315-T317 PolarHBondContact O-N 3.42Å; A315-W318 PolarHBondContact O-N 3.42Å; A315-L319 PolarHBondContact O-N 2.94Å; A315-L319 VanDerWaalsContact O-N 3.15Å
316	S	84.4	Confident	83.7	Confident	42 Å²	42	66.7 Å²	66.7	29%	0.294	35%	0.353	S	S	.	.	H	α-helix	trans	-59	-34.7	-180	-57.8	0	0	0	0	112.5	N300 S314 L319 A320	N300-S316 PolarHBondContact O-OG 2.95Å; S314-S316 PolarHBondContact O-N 3.41Å; S316-L319 PolarHBondContact O-N 3.2Å; S316-A320 PolarHBondContact O-N 3.28Å
317	T	86.3	Confident	85.1	Confident	23 Å²	23	62.8 Å²	62.8	14%	0.141	33%	0.332	C	S	.	.	H	α-helix	trans	-66.6	-43.4	177.8	-52.5	0	0	0	0	111.6	L302 Y311 S314 A315 L319 A320 L321	L302-T317 VanDerWaalsContact CD1-OG1 3.25Å; L302-T317 WeakPolarHBondContact CD1-OG1 3.3Å; Y311-T317 WeakPolarHBondContact O-CB 3.44Å; Y311-T317 PolarHBondContact O-OG1 2.95Å; S314-T317 WeakPolarHBondContact CB-OG1 3.48Å; S314-T317 PolarHBondContact O-N 3.18Å; A315-T317 PolarHBondContact O-N 3.42Å; T317-L319 PolarHBondContact O-N 3.28Å; T317-A320 PolarHBondContact O-N 3.04Å; T317-L321 HydrophobicContact CG2-CD1 4.22Å; T317-L321 WeakPolarHBondContact O-CG 3.17Å; T317-L321 PolarHBondContact O-N 3.02Å
318	W	91	Very high	86.3	Confident	28 Å²	28	61 Å²	61	11%	0.106	32%	0.322	C	S	.	.	H	α-helix	trans	-65.7	-37.2	177.2	-72.5	102.9	0	0	0	112.7	F284 C285 R288 W289 F312 S314 A315 G322	F284-W318 HydrophobicContact CD1-CZ3 4.1Å; F284-W318 AromaticContact CE1-CH2 3.94Å; F284-W318 HydrophobicContact CE1-CH2 3.94Å; F284-W318 AromaticContact CE1-CZ3 3.92Å; F284-W318 HydrophobicContact CE1-CZ3 3.92Å; C285-W318 HydrophobicContact CB-CE3 4.25Å; R288-W318 HydrophobicContact CB-CD2 3.81Å; R288-W318 HydrophobicContact CB-CE3 4.01Å; R288-W318 HydrophobicContact CB-CG 4.05Å; R288-W318 HydrophobicContact CG-CD2 4.42Å; R288-W318 HydrophobicContact CG-CE3 4.36Å; R288-W318 HydrophobicContact CG-CH2 4.49Å; R288-W318 HydrophobicContact CG-CZ3 4.39Å; W289-W318 HydrophobicContact CB-CB 4.08Å; F312-W318 HydrophobicContact CD1-CH2 4.29Å; F312-W318 AromaticContact CD1-CZ2 3.84Å; F312-W318 HydrophobicContact CD1-CZ2 3.84Å; F312-W318 PolarHBondContact O-NE1 3.34Å; S314-W318 VanDerWaalsContact O-CD1 3.31Å; A315-W318 PolarHBondContact O-N 3.42Å; W318-G322 PolarHBondContact O-N 2.88Å
319	L	90.3	Very high	87.4	Confident	56 Å²	56	56.4 Å²	56.4	29%	0.293	30%	0.298	S	S	.	.	H	α-helix	trans	-60.4	-50	172.7	-174.7	94.1	0	0	0	110.9	F286 W289 A315 S316 T317 L321 G322 I323	F286-L319 HydrophobicContact CE1-CD1 4.49Å; W289-L319 HydrophobicContact CD2-CD1 3.69Å; W289-L319 VanDerWaalsContact CE2-CD1 3.4Å; W289-L319 HydrophobicContact CE3-CD1 4.22Å; W289-L319 HydrophobicContact CG-CB 4.14Å; W289-L319 HydrophobicContact CG-CD1 4.09Å; W289-L319 HydrophobicContact CH2-CD1 4.18Å; W289-L319 HydrophobicContact CZ2-CD1 3.68Å; W289-L319 HydrophobicContact CZ3-CD1 4.44Å; A315-L319 PolarHBondContact O-N 2.94Å; A315-L319 VanDerWaalsContact O-N 3.15Å; S316-L319 PolarHBondContact O-N 3.2Å; T317-L319 PolarHBondContact O-N 3.28Å; L319-L321 PolarHBondContact O-N 2.76Å; L319-G322 PolarHBondContact O-N 3.48Å; L319-I323 HydrophobicContact CD2-CD1 4.13Å; L319-I323 HydrophobicContact CG-CD1 4.01Å; L319-I323 WeakPolarHBondContact O-CG1 3.28Å; L319-I323 PolarHBondContact O-N 2.91Å
320	A	91.4	Very high	88.3	Confident	47 Å²	47	55.4 Å²	55.4	39%	0.388	29%	0.292	S	S	.	.	H	α-helix	trans	-60.5	-46.5	-179.6	0	0	0	0	0	111.8	S316 T317 G322 I323 I324	S316-A320 PolarHBondContact O-N 3.28Å; T317-A320 PolarHBondContact O-N 3.04Å; A320-G322 VanDerWaalsContact C-N 3.32Å; A320-G322 PolarHBondContact O-N 3.05Å; A320-I323 PolarHBondContact O-N 3.48Å; A320-I324 VanDerWaalsContact O-CG1 3.29Å; A320-I324 WeakPolarHBondContact O-CG1 3.42Å; A320-I324 PolarHBondContact O-N 3.08Å
321	L	92.1	Very high	89.3	Confident	80 Å²	80	57 Å²	57	42%	0.419	30%	0.296	S	S	.	.	H	α-helix	trans	-60.9	-40.3	175.2	-72.6	173.5	0	0	0	112.2	T317 L319 S325	T317-L321 HydrophobicContact CG2-CD1 4.22Å; T317-L321 WeakPolarHBondContact O-CG 3.17Å; T317-L321 PolarHBondContact O-N 3.02Å; L319-L321 PolarHBondContact O-N 2.76Å; L321-S325 WeakPolarHBondContact O-CB 3.24Å; L321-S325 PolarHBondContact O-N 3.47Å
322	G	94.6	Very high	90.1	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-62.1	-46.5	176.3	0	0	0	0	0	113	W318 L319 A320 S325 A326	W318-G322 PolarHBondContact O-N 2.88Å; L319-G322 PolarHBondContact O-N 3.48Å; A320-G322 VanDerWaalsContact C-N 3.32Å; A320-G322 PolarHBondContact O-N 3.05Å; G322-S325 PolarHBondContact O-N 3.36Å; G322-A326 WeakPolarHBondContact O-CB 3.32Å; G322-A326 PolarHBondContact O-N 3.46Å
323	I	94.5	Very high	90.8	Very high	78 Å²	78	53.8 Å²	53.8	40%	0.4	29%	0.287	S	S	.	.	H	α-helix	trans	-63.8	-47.1	177.7	-66.5	168.6	0	0	0	110.9	F286 L319 A320 S325 A326 I327	F286-I323 HydrophobicContact CZ-CG1 4.3Å; L319-I323 HydrophobicContact CD2-CD1 4.13Å; L319-I323 HydrophobicContact CG-CD1 4.01Å; L319-I323 WeakPolarHBondContact O-CG1 3.28Å; L319-I323 PolarHBondContact O-N 2.91Å; A320-I323 PolarHBondContact O-N 3.48Å; I323-S325 VanDerWaalsContact C-N 3.34Å; I323-S325 PolarHBondContact O-N 3.42Å; I323-A326 PolarHBondContact O-N 3.49Å; I323-I327 HydrophobicContact CG2-CD1 3.92Å; I323-I327 WeakPolarHBondContact O-CG1 3.32Å; I323-I327 PolarHBondContact O-N 2.86Å
324	I	94.7	Very high	91.5	Very high	98 Å²	98	50.2 Å²	50.2	50%	0.503	28%	0.28	S	S	.	.	H	α-helix	trans	-60.9	-45.6	178.9	-67.7	166.8	0	0	0	110.4	A320 A326 I327 L328	A320-I324 VanDerWaalsContact O-CG1 3.29Å; A320-I324 WeakPolarHBondContact O-CG1 3.42Å; A320-I324 PolarHBondContact O-N 3.08Å; I324-A326 VanDerWaalsContact C-N 3.34Å; I324-A326 PolarHBondContact O-N 2.82Å; I324-I327 PolarHBondContact O-N 3.32Å; I324-L328 HydrophobicContact CG2-CD1 4.07Å; I324-L328 WeakPolarHBondContact O-CG 3.28Å; I324-L328 PolarHBondContact O-N 3Å
325	S	94.5	Very high	92.1	Very high	16 Å²	16	54 Å²	54	11%	0.112	30%	0.299	C	S	.	.	H	α-helix	trans	-60.8	-41.6	177	-179.6	0	0	0	0	112	F278 T282 L321 G322 I323 L328 L329	F278-S325 PolarHBondContact O-OG 3.08Å; T282-S325 WeakPolarHBondContact OG1-CB 3.5Å; T282-S325 PolarHBondContact OG1-OG 2.96Å; L321-S325 WeakPolarHBondContact O-CB 3.24Å; L321-S325 PolarHBondContact O-N 3.47Å; G322-S325 PolarHBondContact O-N 3.36Å; I323-S325 VanDerWaalsContact C-N 3.34Å; I323-S325 PolarHBondContact O-N 3.42Å; S325-L328 PolarHBondContact O-N 3.28Å; S325-L329 WeakPolarHBondContact O-CB 3.31Å; S325-L329 PolarHBondContact O-N 2.98Å
326	A	95.7	Very high	92.3	Very high	29 Å²	29	55.4 Å²	55.4	24%	0.24	31%	0.306	C	S	.	.	H	α-helix	trans	-63.9	-44	177.6	0	0	0	0	0	112.5	T282 G322 I323 I324 L329 V330	T282-A326 HydrophobicContact CG2-CB 3.74Å; G322-A326 WeakPolarHBondContact O-CB 3.32Å; G322-A326 PolarHBondContact O-N 3.46Å; I323-A326 PolarHBondContact O-N 3.49Å; I324-A326 VanDerWaalsContact C-N 3.34Å; I324-A326 PolarHBondContact O-N 2.82Å; A326-L329 WeakPolarHBondContact O-CB 3.25Å; A326-L329 PolarHBondContact O-N 2.97Å; A326-V330 WeakPolarHBondContact O-CG2 3.33Å; A326-V330 PolarHBondContact O-N 3.32Å
327	I	95.9	Very high	92.6	Very high	98 Å²	98	59 Å²	59	50%	0.503	32%	0.321	S	S	.	.	H	α-helix	trans	-62.5	-45.9	177.6	-67.5	167.8	0	0	0	110.3	I323 I324 L329 V330 I331	I323-I327 HydrophobicContact CG2-CD1 3.92Å; I323-I327 WeakPolarHBondContact O-CG1 3.32Å; I323-I327 PolarHBondContact O-N 2.86Å; I324-I327 PolarHBondContact O-N 3.32Å; I327-L329 VanDerWaalsContact C-N 3.33Å; I327-L329 PolarHBondContact O-N 3.5Å; I327-V330 PolarHBondContact O-N 3.47Å; I327-I331 HydrophobicContact CG2-CD1 3.89Å; I327-I331 WeakPolarHBondContact O-CG1 3.36Å; I327-I331 PolarHBondContact O-N 2.92Å
328	L	93.6	Very high	93	Very high	76 Å²	76	65.5 Å²	65.5	40%	0.398	35%	0.347	S	S	.	.	H	α-helix	trans	-59.9	-44	176.5	-73.6	171.6	0	0	0	111.5	F278 I324 S325 V330 I331 I332	F278-L328 HydrophobicContact CD1-CB 4.25Å; F278-L328 HydrophobicContact CE1-CB 3.93Å; F278-L328 HydrophobicContact CE1-CD1 3.92Å; I324-L328 HydrophobicContact CG2-CD1 4.07Å; I324-L328 WeakPolarHBondContact O-CG 3.28Å; I324-L328 PolarHBondContact O-N 3Å; S325-L328 PolarHBondContact O-N 3.28Å; L328-V330 PolarHBondContact O-N 2.95Å; L328-I331 PolarHBondContact O-N 3.47Å; L328-I332 WeakPolarHBondContact O-CB 3.1Å; L328-I332 VanDerWaalsContact O-CD1 3.31Å; L328-I332 WeakPolarHBondContact O-CD1 3.4Å; L328-I332 WeakPolarHBondContact O-CG1 3.42Å; L328-I332 PolarHBondContact O-N 3.26Å
329	L	94.5	Very high	93	Very high	23 Å²	23	66 Å²	66	12%	0.12	35%	0.351	C	S	.	.	H	α-helix	trans	-58.1	-46.1	176.8	179.3	64.7	0	0	0	111.9	V275 F278 S325 A326 I327 I332 L333	V275-L329 HydrophobicContact CG1-CD1 4.09Å; F278-L329 HydrophobicContact CB-CB 4.26Å; F278-L329 HydrophobicContact CB-CD1 3.83Å; S325-L329 WeakPolarHBondContact O-CB 3.31Å; S325-L329 PolarHBondContact O-N 2.98Å; A326-L329 WeakPolarHBondContact O-CB 3.25Å; A326-L329 PolarHBondContact O-N 2.97Å; I327-L329 VanDerWaalsContact C-N 3.33Å; I327-L329 PolarHBondContact O-N 3.5Å; L329-I332 PolarHBondContact O-N 3.33Å; L329-L333 HydrophobicContact CD1-CD1 4.37Å; L329-L333 HydrophobicContact CD1-CG 4.46Å; L329-L333 HydrophobicContact CG-CD1 4.22Å; L329-L333 WeakPolarHBondContact O-CG 3.38Å; L329-L333 PolarHBondContact O-N 2.85Å
330	V	95.4	Very high	93.1	Very high	83 Å²	83	69.6 Å²	69.6	50%	0.503	36%	0.361	S	S	.	.	H	α-helix	trans	-61.9	-46.4	177.8	172.1	0	0	0	0	111	A326 I327 L328 I332 L333 L334	A326-V330 WeakPolarHBondContact O-CG2 3.33Å; A326-V330 PolarHBondContact O-N 3.32Å; I327-V330 PolarHBondContact O-N 3.47Å; L328-V330 PolarHBondContact O-N 2.95Å; V330-I332 VanDerWaalsContact C-N 3.33Å; V330-I332 PolarHBondContact O-N 3.35Å; V330-L333 PolarHBondContact O-N 3.05Å; V330-L334 HydrophobicContact CG1-CD1 4.01Å; V330-L334 HydrophobicContact CG1-CG 4.43Å; V330-L334 VanDerWaalsContact O-CG 3.32Å; V330-L334 WeakPolarHBondContact O-CG 3.31Å; V330-L334 PolarHBondContact O-N 2.9Å
331	I	93.2	Very high	93	Very high	84 Å²	84	75.7 Å²	75.7	43%	0.431	38%	0.379	S	S	.	.	H	α-helix	trans	-59.7	-45.3	177.9	-67.9	168.6	0	0	0	110.7	I327 L328 L333 L334 I335	I327-I331 HydrophobicContact CG2-CD1 3.89Å; I327-I331 WeakPolarHBondContact O-CG1 3.36Å; I327-I331 PolarHBondContact O-N 2.92Å; L328-I331 PolarHBondContact O-N 3.47Å; I331-L333 PolarHBondContact O-N 3.19Å; I331-L334 PolarHBondContact O-N 2.95Å; I331-I335 HydrophobicContact CG2-CD1 3.86Å; I331-I335 VanDerWaalsContact O-CG1 3.31Å; I331-I335 WeakPolarHBondContact O-CG1 3.37Å; I331-I335 PolarHBondContact O-N 3.36Å
332	I	90.4	Very high	93	Very high	33 Å²	33	76.3 Å²	76.3	17%	0.169	38%	0.376	C	S	.	.	H	α-helix	trans	-60	-47.5	178.2	-68.9	158.4	0	0	0	110.5	F274 V275 F278 L328 L329 V330 L334 I335 L336	F274-I332 HydrophobicContact CD1-CD1 4.05Å; F274-I332 HydrophobicContact CE1-CD1 3.58Å; F274-I332 HydrophobicContact CE1-CG1 4.46Å; V275-I332 HydrophobicContact CG2-CG2 4.09Å; F278-I332 HydrophobicContact CD2-CD1 4.31Å; F278-I332 HydrophobicContact CE2-CD1 4.44Å; F278-I332 HydrophobicContact CG-CD1 4.45Å; L328-I332 WeakPolarHBondContact O-CB 3.1Å; L328-I332 VanDerWaalsContact O-CD1 3.31Å; L328-I332 WeakPolarHBondContact O-CD1 3.4Å; L328-I332 WeakPolarHBondContact O-CG1 3.42Å; L328-I332 PolarHBondContact O-N 3.26Å; L329-I332 PolarHBondContact O-N 3.33Å; V330-I332 VanDerWaalsContact C-N 3.33Å; V330-I332 PolarHBondContact O-N 3.35Å; I332-L334 PolarHBondContact O-N 3.5Å; I332-I335 PolarHBondContact O-N 3.41Å; I332-L336 HydrophobicContact CG2-CD1 4.08Å; I332-L336 HydrophobicContact CG2-CG 4.38Å; I332-L336 WeakPolarHBondContact O-CG 3.37Å; I332-L336 PolarHBondContact O-N 3.22Å
333	L	92.8	Very high	92.8	Very high	70 Å²	70	76.5 Å²	76.5	37%	0.366	38%	0.377	S	S	.	.	H	α-helix	trans	-60.9	-43.3	179.1	-73.8	172.1	0	0	0	112.1	V275 L329 V330 I331 I335 L336 I337	V275-L333 HydrophobicContact CG1-CD2 3.91Å; V275-L333 HydrophobicContact CG2-CD2 4.21Å; L329-L333 HydrophobicContact CD1-CD1 4.37Å; L329-L333 HydrophobicContact CD1-CG 4.46Å; L329-L333 HydrophobicContact CG-CD1 4.22Å; L329-L333 WeakPolarHBondContact O-CG 3.38Å; L329-L333 PolarHBondContact O-N 2.85Å; V330-L333 PolarHBondContact O-N 3.05Å; I331-L333 PolarHBondContact O-N 3.19Å; L333-I335 PolarHBondContact O-N 3.06Å; L333-L336 PolarHBondContact O-N 3.07Å; L333-I337 VanDerWaalsContact O-CG1 3.28Å; L333-I337 WeakPolarHBondContact O-CG1 3.28Å; L333-I337 PolarHBondContact O-N 3.12Å
334	L	93	Very high	92.7	Very high	82 Å²	82	78.4 Å²	78.4	43%	0.429	38%	0.379	S	S	.	.	H	α-helix	trans	-61.1	-45.1	176.3	-67.1	170.9	0	0	0	111.1	V330 I331 I332 L336 I337 F338	V330-L334 HydrophobicContact CG1-CD1 4.01Å; V330-L334 HydrophobicContact CG1-CG 4.43Å; V330-L334 VanDerWaalsContact O-CG 3.32Å; V330-L334 WeakPolarHBondContact O-CG 3.31Å; V330-L334 PolarHBondContact O-N 2.9Å; I331-L334 PolarHBondContact O-N 2.95Å; I332-L334 PolarHBondContact O-N 3.5Å; L334-L336 VanDerWaalsContact C-N 3.33Å; L334-L336 PolarHBondContact O-N 3.32Å; L334-I337 PolarHBondContact O-N 2.84Å; L334-F338 HydrophobicContact CB-CD2 4.2Å; L334-F338 HydrophobicContact CB-CE2 4.26Å; L334-F338 HydrophobicContact CD2-CE2 3.81Å; L334-F338 WeakPolarHBondContact O-CB 3.42Å; L334-F338 WeakPolarHBondContact O-CD2 3.44Å; L334-F338 PolarHBondContact O-N 3.09Å
335	I	89.5	Confident	92.5	Very high	87 Å²	87	74 Å²	74	45%	0.446	36%	0.357	S	S	.	.	H	α-helix	trans	-58.7	-45.5	176.6	-70.8	171	0	0	0	110.8	I331 I332 L333 I337 L339	I331-I335 HydrophobicContact CG2-CD1 3.86Å; I331-I335 VanDerWaalsContact O-CG1 3.31Å; I331-I335 WeakPolarHBondContact O-CG1 3.37Å; I331-I335 PolarHBondContact O-N 3.36Å; I332-I335 PolarHBondContact O-N 3.41Å; L333-I335 PolarHBondContact O-N 3.06Å; I335-I337 PolarHBondContact O-N 2.86Å; I335-L339 HydrophobicContact CG2-CD1 3.93Å; I335-L339 VanDerWaalsContact O-CB 3.25Å; I335-L339 WeakPolarHBondContact O-CB 3.33Å; I335-L339 PolarHBondContact O-N 3.34Å
336	L	90.1	Very high	92.5	Very high	31 Å²	31	73.2 Å²	73.2	16%	0.162	35%	0.351	C	S	.	.	H	α-helix	trans	-63.9	-40	-179.8	-69.8	-179.6	0	0	0	112.9	L271 V275 I332 L333 L334 R340 I343	L271-L336 HydrophobicContact CD1-CD2 3.77Å; L271-L336 HydrophobicContact CD2-CD2 3.81Å; L271-L336 HydrophobicContact CG-CD2 4.22Å; V275-L336 HydrophobicContact CG2-CD1 3.73Å; I332-L336 HydrophobicContact CG2-CD1 4.08Å; I332-L336 HydrophobicContact CG2-CG 4.38Å; I332-L336 WeakPolarHBondContact O-CG 3.37Å; I332-L336 PolarHBondContact O-N 3.22Å; L333-L336 PolarHBondContact O-N 3.07Å; L334-L336 VanDerWaalsContact C-N 3.33Å; L334-L336 PolarHBondContact O-N 3.32Å; L336-R340 PolarHBondContact O-N 3.46Å; L336-I343 HydrophobicContact CD2-CD1 3.98Å
337	I	91.3	Very high	92.3	Very high	118 Å²	118	72.5 Å²	72.5	61%	0.605	34%	0.343	S	S	*	.	H	α-helix	trans	-70.3	-54.9	179.5	-66.9	166.9	0	0	0	110.3	L333 L334 I335 L339 R340	L333-I337 VanDerWaalsContact O-CG1 3.28Å; L333-I337 WeakPolarHBondContact O-CG1 3.28Å; L333-I337 PolarHBondContact O-N 3.12Å; L334-I337 PolarHBondContact O-N 2.84Å; I335-I337 PolarHBondContact O-N 2.86Å; I337-L339 PolarHBondContact O-N 3.03Å; I337-R340 PolarHBondContact O-N 2.67Å
338	F	93.4	Very high	92.2	Very high	158 Å²	158	68 Å²	68	69%	0.693	32%	0.321	S	S	*	.	H	α-helix	trans	-70.7	-32.2	-173.4	-71.3	-62.8	0	0	0	113.1	L334	L334-F338 HydrophobicContact CB-CD2 4.2Å; L334-F338 HydrophobicContact CB-CE2 4.26Å; L334-F338 HydrophobicContact CD2-CE2 3.81Å; L334-F338 WeakPolarHBondContact O-CB 3.42Å; L334-F338 WeakPolarHBondContact O-CD2 3.44Å; L334-F338 PolarHBondContact O-N 3.09Å
339	L	91.8	Very high	92.2	Very high	38 Å²	38	64.4 Å²	64.4	20%	0.199	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	8.7	-177.6	-54.9	-178.9	0	0	0	113.6	I335 I337 K341 R342 I343 V597 V601	I335-L339 HydrophobicContact CG2-CD1 3.93Å; I335-L339 VanDerWaalsContact O-CB 3.25Å; I335-L339 WeakPolarHBondContact O-CB 3.33Å; I335-L339 PolarHBondContact O-N 3.34Å; I337-L339 PolarHBondContact O-N 3.03Å; L339-K341 VanDerWaalsContact C-N 3.32Å; L339-K341 PolarHBondContact O-N 3.1Å; L339-K341 VanDerWaalsContact O-N 3.15Å; L339-R342 HydrophobicContact CB-CB 4.49Å; L339-R342 CarbonylContact O-C 3.49Å; L339-R342 WeakPolarHBondContact O-CA 3.42Å; L339-R342 WeakPolarHBondContact O-CB 3.27Å; L339-R342 PolarHBondContact O-N 2.74Å; L339-I343 HydrophobicContact CB-CD1 4.34Å; L339-I343 HydrophobicContact CB-CG1 4.38Å; L339-I343 WeakPolarHBondContact O-CG1 3.42Å; L339-I343 PolarHBondContact O-N 2.8Å; L339-V597 HydrophobicContact CD2-CG1 4.31Å; L339-V601 HydrophobicContact CB-CG2 4.21Å; L339-V601 HydrophobicContact CD1-CG2 3.61Å; L339-V601 HydrophobicContact CD2-CG2 4.4Å; L339-V601 HydrophobicContact CG-CG2 4.29Å
340	R	91.5	Very high	92.1	Very high	132 Å²	132	63.3 Å²	63.3	50%	0.498	30%	0.296	S	S	.	.	H	α-helix	trans	-46.9	-48.3	-178.9	-175.8	-175.6	-176.1	-162.6	4.4	114	W268 L336 I337 R342 I343 R344	W268-R340 HydrophobicContact CH2-CG 4.5Å; L336-R340 PolarHBondContact O-N 3.46Å; I337-R340 PolarHBondContact O-N 2.67Å; R340-R342 VanDerWaalsContact C-N 3.31Å; R340-R342 PolarHBondContact O-N 2.92Å; R340-I343 PolarHBondContact O-N 3.4Å; R340-R344 PolarHBondContact O-N 2.95Å; R340-R344 VanDerWaalsContact O-N 3.15Å
341	K	90	Very high	91.9	Very high	176 Å²	176	60.8 Å²	60.8	77%	0.765	28%	0.28	S	S	*	.	H	α-helix	trans	-64.4	-36.9	179.3	-68.9	-173.7	-178.8	-179.6	0	111.7	L339	L339-K341 VanDerWaalsContact C-N 3.32Å; L339-K341 PolarHBondContact O-N 3.1Å; L339-K341 VanDerWaalsContact O-N 3.15Å
342	R	92.2	Very high	91.9	Very high	92 Å²	92	58.1 Å²	58.1	35%	0.347	27%	0.266	S	S	.	.	H	α-helix	trans	-73	-38.4	178	-56.9	-61.8	-172.2	-158.8	0.3	111.6	L339 R340 R344 V345 A346 V597 V601	L339-R342 HydrophobicContact CB-CB 4.49Å; L339-R342 CarbonylContact O-C 3.49Å; L339-R342 WeakPolarHBondContact O-CA 3.42Å; L339-R342 WeakPolarHBondContact O-CB 3.27Å; L339-R342 PolarHBondContact O-N 2.74Å; R340-R342 VanDerWaalsContact C-N 3.31Å; R340-R342 PolarHBondContact O-N 2.92Å; R342-R344 VanDerWaalsContact C-N 3.3Å; R342-R344 PolarHBondContact O-N 3.31Å; R342-V345 WeakPolarHBondContact O-CB 3.26Å; R342-V345 PolarHBondContact O-N 3.24Å; R342-V345 VanDerWaalsContact O-N 3.12Å; R342-A346 PolarHBondContact O-N 3.16Å; R342-V597 HydrophobicContact CG-CG1 4.45Å; R342-V601 HydrophobicContact CB-CB 4.1Å; R342-V601 HydrophobicContact CB-CG1 3.91Å; R342-V601 HydrophobicContact CB-CG2 3.9Å
343	I	91.2	Very high	92	Very high	5 Å²	5	56.6 Å²	56.6	3%	0.026	26%	0.258	C	S	.	.	H	α-helix	trans	-61	-39.4	175.7	-66.2	166.5	0	0	0	110.6	L336 L339 R340 V345 A346 I347 V601 V605	L336-I343 HydrophobicContact CD2-CD1 3.98Å; L339-I343 HydrophobicContact CB-CD1 4.34Å; L339-I343 HydrophobicContact CB-CG1 4.38Å; L339-I343 WeakPolarHBondContact O-CG1 3.42Å; L339-I343 PolarHBondContact O-N 2.8Å; R340-I343 PolarHBondContact O-N 3.4Å; I343-V345 VanDerWaalsContact C-N 3.31Å; I343-V345 PolarHBondContact O-N 3.27Å; I343-A346 WeakPolarHBondContact O-CB 3.26Å; I343-A346 PolarHBondContact O-N 2.86Å; I343-A346 VanDerWaalsContact O-N 3.14Å; I343-I347 HydrophobicContact CG2-CD1 3.96Å; I343-I347 HydrophobicContact CG2-CG1 4.33Å; I343-I347 WeakPolarHBondContact O-CG1 3.09Å; I343-I347 PolarHBondContact O-N 2.98Å; I343-V601 HydrophobicContact CG1-CG1 3.93Å; I343-V605 HydrophobicContact CG1-CG2 4.43Å
344	R	91.7	Very high	91.9	Very high	117 Å²	117	53.2 Å²	53.2	44%	0.442	24%	0.24	S	C	.	.	H	α-helix	trans	-59.4	-39.8	174.3	-72.2	-177.2	179.2	-175.5	-3	113	R340 R342 I347 A348	R340-R344 PolarHBondContact O-N 2.95Å; R340-R344 VanDerWaalsContact O-N 3.15Å; R342-R344 VanDerWaalsContact C-N 3.3Å; R342-R344 PolarHBondContact O-N 3.31Å; R344-I347 PolarHBondContact O-N 3.36Å; R344-A348 PolarHBondContact O-N 3.35Å; R344-A348 VanDerWaalsContact O-N 3.08Å
345	V	91.5	Very high	91.7	Very high	6 Å²	6	52.8 Å²	52.8	4%	0.036	24%	0.235	C	C	.	.	H	α-helix	trans	-65.4	-43.1	174.7	177.2	0	0	0	0	110.3	R342 I343 I347 A348 I349 F684 L705 I708 L709	R342-V345 WeakPolarHBondContact O-CB 3.26Å; R342-V345 PolarHBondContact O-N 3.24Å; R342-V345 VanDerWaalsContact O-N 3.12Å; I343-V345 VanDerWaalsContact C-N 3.31Å; I343-V345 PolarHBondContact O-N 3.27Å; V345-I347 PolarHBondContact O-N 3.2Å; V345-A348 PolarHBondContact O-N 2.92Å; V345-I349 HydrophobicContact CG1-CD1 3.9Å; V345-I349 WeakPolarHBondContact O-CG1 3.3Å; V345-I349 PolarHBondContact O-N 3.36Å; V345-F684 HydrophobicContact CG1-CE1 4.37Å; V345-L705 HydrophobicContact CG1-CD1 4.33Å; V345-I708 HydrophobicContact CG2-CG2 3.87Å; V345-L709 HydrophobicContact CG2-CD2 4.44Å
346	A	93.7	Very high	91.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-58.5	-48.6	174.6	0	0	0	0	0	111.9	R342 I343 A348 I349 L350 V601 V602 V605	R342-A346 PolarHBondContact O-N 3.16Å; I343-A346 WeakPolarHBondContact O-CB 3.26Å; I343-A346 PolarHBondContact O-N 2.86Å; I343-A346 VanDerWaalsContact O-N 3.14Å; A346-A348 VanDerWaalsContact C-N 3.26Å; A346-A348 PolarHBondContact O-N 3.5Å; A346-I349 PolarHBondContact O-N 3.35Å; A346-L350 HydrophobicContact CB-CD1 4.39Å; A346-L350 WeakPolarHBondContact O-CD1 3.42Å; A346-L350 PolarHBondContact O-N 3.36Å; A346-V601 HydrophobicContact CB-CG1 4.31Å; A346-V602 HydrophobicContact CB-CB 4.41Å; A346-V602 HydrophobicContact CB-CG2 3.89Å; A346-V605 HydrophobicContact CB-CB 4.33Å; A346-V605 HydrophobicContact CB-CG1 4.43Å
347	I	92.4	Very high	91.8	Very high	14 Å²	14	47.1 Å²	47.1	7%	0.072	21%	0.206	C	C	.	.	H	α-helix	trans	-55.1	-42.8	176.2	-67.6	166.7	0	0	0	111.3	T263 V267 I343 R344 V345 L350 N351	T263-I347 HydrophobicContact CG2-CG2 4.36Å; V267-I347 HydrophobicContact CB-CD1 4.16Å; V267-I347 HydrophobicContact CB-CG1 3.98Å; V267-I347 HydrophobicContact CG1-CD1 3.89Å; V267-I347 HydrophobicContact CG1-CG1 3.81Å; V267-I347 HydrophobicContact CG2-CG1 4.09Å; I343-I347 HydrophobicContact CG2-CD1 3.96Å; I343-I347 HydrophobicContact CG2-CG1 4.33Å; I343-I347 WeakPolarHBondContact O-CG1 3.09Å; I343-I347 PolarHBondContact O-N 2.98Å; R344-I347 PolarHBondContact O-N 3.36Å; V345-I347 PolarHBondContact O-N 3.2Å; I347-L350 PolarHBondContact O-N 2.86Å; I347-N351 WeakPolarHBondContact O-CB 3.4Å; I347-N351 PolarHBondContact O-N 3.45Å
348	A	92	Very high	91.5	Very high	3 Å²	3	42.7 Å²	42.7	3%	0.025	19%	0.185	C	C	.	.	H	α-helix	trans	-64.8	-40.3	178.3	0	0	0	0	0	112.2	R344 V345 A346 N351 E352 L705 I708	R344-A348 PolarHBondContact O-N 3.35Å; R344-A348 VanDerWaalsContact O-N 3.08Å; V345-A348 PolarHBondContact O-N 2.92Å; A346-A348 VanDerWaalsContact C-N 3.26Å; A346-A348 PolarHBondContact O-N 3.5Å; A348-N351 PolarHBondContact O-N 3.3Å; A348-E352 PolarHBondContact O-N 3.46Å; A348-L705 HydrophobicContact CB-CD1 3.51Å; A348-I708 HydrophobicContact CB-CD1 3.78Å
349	I	94.1	Very high	91.1	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-66.7	-43.8	175.5	-65.5	157.4	0	0	0	111.4	V345 A346 N351 E352 T353 V602 V677 I680 F681	V345-I349 HydrophobicContact CG1-CD1 3.9Å; V345-I349 WeakPolarHBondContact O-CG1 3.3Å; V345-I349 PolarHBondContact O-N 3.36Å; A346-I349 PolarHBondContact O-N 3.35Å; I349-N351 VanDerWaalsContact C-N 3.26Å; I349-N351 PolarHBondContact O-N 2.88Å; I349-E352 PolarHBondContact O-N 3.46Å; I349-T353 WeakPolarHBondContact O-CB 3.4Å; I349-T353 PolarHBondContact O-N 2.86Å; I349-T353 PolarHBondContact O-OG1 3.16Å; I349-V602 HydrophobicContact CD1-CG1 4.34Å; I349-V602 HydrophobicContact CD1-CG2 3.62Å; I349-V602 HydrophobicContact CG2-CG1 4.43Å; I349-V677 HydrophobicContact CG2-CG1 3.99Å; I349-I680 HydrophobicContact CG2-CB 4.45Å; I349-I680 HydrophobicContact CG2-CG2 4.14Å; I349-F681 HydrophobicContact CD1-CB 4.4Å; I349-F681 HydrophobicContact CD1-CD2 3.45Å; I349-F681 VanDerWaalsContact CD1-CD2 3.45Å; I349-F681 HydrophobicContact CD1-CE2 4.15Å; I349-F681 HydrophobicContact CD1-CG 4.33Å; I349-F681 HydrophobicContact CG2-CB 4.32Å
350	L	93.2	Very high	91	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-59.4	-40.1	174.9	-86.3	89.6	0	0	0	111	T263 A346 I347 T353 S354 V605 T606 F673 V677	T263-L350 HydrophobicContact CG2-CB 3.55Å; T263-L350 HydrophobicContact CG2-CD2 4.47Å; A346-L350 HydrophobicContact CB-CD1 4.39Å; A346-L350 WeakPolarHBondContact O-CD1 3.42Å; A346-L350 PolarHBondContact O-N 3.36Å; I347-L350 PolarHBondContact O-N 2.86Å; L350-T353 PolarHBondContact O-N 3.18Å; L350-S354 WeakPolarHBondContact O-CB 3.43Å; L350-S354 PolarHBondContact O-N 3.08Å; L350-S354 PolarHBondContact O-OG 3.46Å; L350-V605 HydrophobicContact CD1-CG1 4.41Å; L350-T606 WeakPolarHBondContact CD1-OG1 3.18Å; L350-F673 HydrophobicContact CD2-CE1 4.28Å; L350-F673 HydrophobicContact CG-CE1 4.2Å; L350-V677 HydrophobicContact CG-CG2 4.39Å
351	N	91.7	Very high	90.6	Very high	30 Å²	30	34.7 Å²	34.7	16%	0.16	17%	0.171	C	C	.	.	H	α-helix	trans	-67.2	-40.8	177.7	-175	35	0	0	0	112.3	T263 I347 A348 I349 T353 S354 K355	T263-N351 HydrophobicContact CG2-CB 4.34Å; T263-N351 WeakPolarHBondContact OG1-CA 3.31Å; T263-N351 WeakPolarHBondContact OG1-CB 3.48Å; T263-N351 PolarHBondContact OG1-OD1 3.05Å; I347-N351 WeakPolarHBondContact O-CB 3.4Å; I347-N351 PolarHBondContact O-N 3.45Å; A348-N351 PolarHBondContact O-N 3.3Å; I349-N351 VanDerWaalsContact C-N 3.26Å; I349-N351 PolarHBondContact O-N 2.88Å; N351-T353 VanDerWaalsContact C-N 3.33Å; N351-S354 PolarHBondContact O-OG 3.19Å; N351-K355 VanDerWaalsContact O-CG 3.29Å; N351-K355 WeakPolarHBondContact O-CG 3.48Å; N351-K355 PolarHBondContact O-N 2.88Å
352	E	91.8	Very high	90.6	Very high	28 Å²	28	28.9 Å²	28.9	13%	0.131	15%	0.153	C	C	.	.	H	α-helix	trans	-68.3	-35.2	174.3	-68	-49.3	139.3	0	0	112.1	A348 I349 K355 A356 I680 S702	A348-E352 PolarHBondContact O-N 3.46Å; I349-E352 PolarHBondContact O-N 3.46Å; E352-K355 PolarHBondContact O-N 3.37Å; E352-K355 IonicContact OE1-NZ 2.78Å; E352-K355 PolarHBondContact OE1-NZ 2.98Å; E352-K355 IonicContact OE2-NZ 3.69Å; E352-A356 WeakPolarHBondContact O-CB 3.39Å; E352-A356 PolarHBondContact O-N 3.11Å; E352-I680 HydrophobicContact CB-CG2 4.35Å; E352-S702 WeakPolarHBondContact OE1-CB 3.43Å; E352-S702 PolarHBondContact OE1-OG 3.35Å
353	T	93.4	Very high	90.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-66.1	-43.9	175.7	-55.1	0	0	0	0	111.5	I349 L350 N351 K355 A356 V357 F673 V677	I349-T353 WeakPolarHBondContact O-CB 3.4Å; I349-T353 PolarHBondContact O-N 2.86Å; I349-T353 PolarHBondContact O-OG1 3.16Å; L350-T353 PolarHBondContact O-N 3.18Å; N351-T353 VanDerWaalsContact C-N 3.33Å; T353-K355 VanDerWaalsContact C-N 3.31Å; T353-K355 PolarHBondContact O-N 3.25Å; T353-A356 WeakPolarHBondContact O-CB 3.44Å; T353-A356 PolarHBondContact O-N 2.77Å; T353-A356 VanDerWaalsContact O-N 3.11Å; T353-V357 HydrophobicContact CG2-CG2 4.37Å; T353-V357 WeakPolarHBondContact O-CG2 3.43Å; T353-V357 PolarHBondContact O-N 3.34Å; T353-F673 HydrophobicContact CG2-CD2 4.24Å; T353-F673 HydrophobicContact CG2-CE1 4.35Å; T353-F673 HydrophobicContact CG2-CE2 4.05Å; T353-F673 HydrophobicContact CG2-CG 4.48Å; T353-F673 HydrophobicContact CG2-CZ 4.12Å; T353-V677 HydrophobicContact CG2-CG2 3.85Å; T353-V677 WeakPolarHBondContact OG1-CA 3.28Å
354	S	90.9	Very high	90.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-64.4	-36.2	178.4	68.6	0	0	0	0	112.2	R260 L350 N351 S358	R260-S354 VanDerWaalsContact CA-OG 3.3Å; R260-S354 WeakPolarHBondContact CA-OG 3.27Å; L350-S354 WeakPolarHBondContact O-CB 3.43Å; L350-S354 PolarHBondContact O-N 3.08Å; L350-S354 PolarHBondContact O-OG 3.46Å; N351-S354 PolarHBondContact O-OG 3.19Å; S354-S358 WeakPolarHBondContact O-CB 3.46Å; S354-S358 PolarHBondContact O-N 3.22Å; S354-S358 PolarHBondContact O-OG 3.29Å
355	K	89.3	Confident	90	Very high	72 Å²	72	25.4 Å²	25.4	31%	0.313	14%	0.144	S	C	.	.	H	α-helix	trans	-63.2	-44.7	169.8	-68.8	171.9	-165.7	170.3	0	111.7	N351 E352 T353 S358 A359	N351-K355 VanDerWaalsContact O-CG 3.29Å; N351-K355 WeakPolarHBondContact O-CG 3.48Å; N351-K355 PolarHBondContact O-N 2.88Å; E352-K355 PolarHBondContact O-N 3.37Å; E352-K355 IonicContact OE1-NZ 2.78Å; E352-K355 PolarHBondContact OE1-NZ 2.98Å; E352-K355 IonicContact OE2-NZ 3.69Å; T353-K355 VanDerWaalsContact C-N 3.31Å; T353-K355 PolarHBondContact O-N 3.25Å; K355-S358 PolarHBondContact O-N 2.87Å; K355-A359 WeakPolarHBondContact O-CB 3.16Å; K355-A359 PolarHBondContact O-N 3.48Å
356	A	90.8	Very high	90	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-60.1	-48.9	178.1	0	0	0	0	0	111.9	E352 T353 S358 A359 M360 F480 Y483	E352-A356 WeakPolarHBondContact O-CB 3.39Å; E352-A356 PolarHBondContact O-N 3.11Å; T353-A356 WeakPolarHBondContact O-CB 3.44Å; T353-A356 PolarHBondContact O-N 2.77Å; T353-A356 VanDerWaalsContact O-N 3.11Å; A356-S358 VanDerWaalsContact C-N 3.31Å; A356-S358 PolarHBondContact O-N 3.17Å; A356-A359 PolarHBondContact O-N 3.13Å; A356-M360 HydrophobicContact CB-CE 3.98Å; A356-M360 WeakPolarHBondContact O-CE 3.47Å; A356-M360 PolarHBondContact O-N 3.27Å; A356-F480 HydrophobicContact CB-CD1 3.81Å; A356-F480 HydrophobicContact CB-CE1 3.86Å; A356-Y483 HydrophobicContact CB-CD1 3.38Å; A356-Y483 HydrophobicContact CB-CD2 4.36Å; A356-Y483 HydrophobicContact CB-CE1 3.36Å; A356-Y483 HydrophobicContact CB-CE2 4.35Å; A356-Y483 HydrophobicContact CB-CG 3.91Å
357	V	90.2	Very high	89.7	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.4	-40.9	177.6	174.8	0	0	0	0	111.3	I256 T353 M360 T361 L364 F480 F673	I256-V357 HydrophobicContact CG2-CB 4.39Å; I256-V357 HydrophobicContact CG2-CG1 3.73Å; T353-V357 HydrophobicContact CG2-CG2 4.37Å; T353-V357 WeakPolarHBondContact O-CG2 3.43Å; T353-V357 PolarHBondContact O-N 3.34Å; V357-M360 CarbonylContact O-C 3.2Å; V357-M360 VanDerWaalsContact O-C 3.3Å; V357-M360 PolarHBondContact O-N 2.71Å; V357-T361 PolarHBondContact O-N 3.2Å; V357-L364 HydrophobicContact CG1-CD1 3.96Å; V357-L364 HydrophobicContact CG1-CD2 3.49Å; V357-L364 VanDerWaalsContact CG1-CD2 3.49Å; V357-L364 HydrophobicContact CG1-CG 3.77Å; V357-F480 HydrophobicContact CG2-CE1 3.72Å; V357-F480 HydrophobicContact CG2-CZ 3.68Å; V357-F673 HydrophobicContact CG2-CD2 4.25Å
358	S	84.5	Confident	89.5	Confident	24 Å²	24	30.6 Å²	30.6	17%	0.168	17%	0.169	C	C	.	.	H	α-helix	trans	-70.5	-30.8	178	-59.9	0	0	0	0	113.3	R260 S354 K355 A356 T361	R260-S358 VanDerWaalsContact CD-OG 3.24Å; R260-S358 WeakPolarHBondContact CD-OG 3.31Å; R260-S358 VanDerWaalsContact NH1-CB 3.32Å; S354-S358 WeakPolarHBondContact O-CB 3.46Å; S354-S358 PolarHBondContact O-N 3.22Å; S354-S358 PolarHBondContact O-OG 3.29Å; K355-S358 PolarHBondContact O-N 2.87Å; A356-S358 VanDerWaalsContact C-N 3.31Å; A356-S358 PolarHBondContact O-N 3.17Å; S358-T361 WeakPolarHBondContact O-CG2 3.36Å
359	A	86.1	Confident	89.4	Confident	65 Å²	65	33.9 Å²	33.9	54%	0.537	19%	0.186	S	C	.	.	H	α-helix	trans	-76.3	-30.9	176.4	0	0	0	0	0	112	K355 A356 Y483	K355-A359 WeakPolarHBondContact O-CB 3.16Å; K355-A359 PolarHBondContact O-N 3.48Å; A356-A359 PolarHBondContact O-N 3.13Å; A359-Y483 HydrophobicContact CB-CD2 4.41Å; A359-Y483 HydrophobicContact CB-CE2 3.75Å
360	M	88.7	Confident	89.3	Confident	19 Å²	19	34.2 Å²	34.2	9%	0.094	19%	0.189	C	C	.	.			trans	-115	63	-179	-58.7	178.8	-69.4	0	0	110.4	A356 V357 S362 V363 T479 F480 Y483 P497	A356-M360 HydrophobicContact CB-CE 3.98Å; A356-M360 WeakPolarHBondContact O-CE 3.47Å; A356-M360 PolarHBondContact O-N 3.27Å; V357-M360 CarbonylContact O-C 3.2Å; V357-M360 VanDerWaalsContact O-C 3.3Å; V357-M360 PolarHBondContact O-N 2.71Å; M360-S362 PolarHBondContact O-N 3.33Å; M360-V363 HydrophobicContact CB-CG2 3.83Å; M360-V363 VanDerWaalsContact O-CB 3.24Å; M360-V363 WeakPolarHBondContact O-CB 3.46Å; M360-V363 WeakPolarHBondContact O-CG2 3.2Å; M360-V363 PolarHBondContact O-N 3.03Å; M360-T479 HydrophobicContact CE-CG2 4.19Å; M360-T479 HydrophobicContact SD-CG2 3.6Å; M360-F480 HydrophobicContact CE-CD1 3.88Å; M360-F480 HydrophobicContact CE-CE1 4.12Å; M360-Y483 VanDerWaalsContact CE-CB 3.44Å; M360-Y483 HydrophobicContact CE-CD2 3.97Å; M360-Y483 HydrophobicContact CE-CG 3.74Å; M360-Y483 HydrophobicContact SD-CD2 4.25Å; M360-Y483 HydrophobicContact SD-CG 4.35Å; M360-P497 HydrophobicContact CG-CG 4.34Å; M360-P497 HydrophobicContact SD-CG 3.9Å
361	T	84.1	Confident	89.1	Confident	77 Å²	77	39 Å²	39	47%	0.472	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-25.3	-174.6	49.3	0	0	0	0	114.1	V357 S358 V363 L364	V357-T361 PolarHBondContact O-N 3.2Å; S358-T361 WeakPolarHBondContact O-CG2 3.36Å; T361-V363 PolarHBondContact O-N 3.05Å; T361-V363 VanDerWaalsContact O-N 3.16Å; T361-L364 WeakPolarHBondContact O-CB 3.36Å; T361-L364 PolarHBondContact O-N 3.22Å; T361-L364 VanDerWaalsContact O-N 3.1Å
362	S	88.8	Confident	89.2	Confident	54 Å²	54	41.4 Å²	41.4	38%	0.378	22%	0.222	S	C	.	.	H	α-helix	trans	-57.3	-27.7	173.7	60.1	0	0	0	0	113.6	M360 L364 F365 W366	M360-S362 PolarHBondContact O-N 3.33Å; S362-L364 PolarHBondContact O-N 3.47Å; S362-F365 PolarHBondContact O-N 2.88Å; S362-W366 PolarHBondContact O-N 3.12Å
363	V	92	Very high	89.3	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.8	-26	179	173.6	0	0	0	0	111.8	M360 T361 W366 L476 T479 F480 L498 V672	M360-V363 HydrophobicContact CB-CG2 3.83Å; M360-V363 VanDerWaalsContact O-CB 3.24Å; M360-V363 WeakPolarHBondContact O-CB 3.46Å; M360-V363 WeakPolarHBondContact O-CG2 3.2Å; M360-V363 PolarHBondContact O-N 3.03Å; T361-V363 PolarHBondContact O-N 3.05Å; T361-V363 VanDerWaalsContact O-N 3.16Å; V363-W366 WeakPolarHBondContact O-CB 3.31Å; V363-W366 PolarHBondContact O-N 3.32Å; V363-L476 HydrophobicContact CG1-CD2 3.51Å; V363-T479 HydrophobicContact CG2-CG2 3.68Å; V363-F480 HydrophobicContact CG1-CE2 4.01Å; V363-F480 HydrophobicContact CG1-CZ 3.85Å; V363-L498 HydrophobicContact CG2-CD1 4.23Å; V363-V672 HydrophobicContact CG1-CG1 3.32Å
364	L	85.8	Confident	89.4	Confident	6 Å²	6	45.1 Å²	45.1	3%	0.031	24%	0.241	C	C	.	.	H	α-helix	trans	-74.8	-27.1	179.7	-67.2	171.1	0	0	0	113.4	F253 I256 V357 T361 S362 W366 P367 F669	F253-L364 HydrophobicContact CD2-CD1 3.47Å; F253-L364 VanDerWaalsContact CD2-CD1 3.47Å; F253-L364 HydrophobicContact CE2-CD1 3.38Å; I256-L364 HydrophobicContact CD1-CD2 3.65Å; V357-L364 HydrophobicContact CG1-CD1 3.96Å; V357-L364 HydrophobicContact CG1-CD2 3.49Å; V357-L364 VanDerWaalsContact CG1-CD2 3.49Å; V357-L364 HydrophobicContact CG1-CG 3.77Å; T361-L364 WeakPolarHBondContact O-CB 3.36Å; T361-L364 PolarHBondContact O-N 3.22Å; T361-L364 VanDerWaalsContact O-N 3.1Å; S362-L364 PolarHBondContact O-N 3.47Å; L364-W366 VanDerWaalsContact C-N 3.32Å; L364-P367 VanDerWaalsContact O-CD 3.29Å; L364-P367 WeakPolarHBondContact O-CD 3.46Å; L364-F669 HydrophobicContact CB-CE1 4.16Å; L364-F669 HydrophobicContact CD2-CD1 3.99Å; L364-F669 HydrophobicContact CD2-CE1 4.18Å
365	F	85.9	Confident	89.5	Confident	135 Å²	135	49.1 Å²	49.1	59%	0.592	26%	0.262	S	S	*	.	H	α-helix	trans	-86.5	-8.6	174.1	-62	-76.9	0	0	0	112.4	S362 P367 I368	S362-F365 PolarHBondContact O-N 2.88Å; F365-P367 VanDerWaalsContact C-N 3.35Å; F365-I368 HydrophobicContact CB-CD1 4.37Å; F365-I368 HydrophobicContact CD1-CD1 4.16Å; F365-I368 WeakPolarHBondContact O-CB 3.36Å; F365-I368 WeakPolarHBondContact O-CG1 3.45Å; F365-I368 PolarHBondContact O-N 3.39Å
366	W	90.3	Very high	89.8	Confident	17 Å²	17	50.2 Å²	50.2	6%	0.064	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-41.5	179.7	-177.4	-115.7	0	0	0	114.2	S362 V363 L364 I368 L369 P370 T472 T475 L476 L498 L502	S362-W366 PolarHBondContact O-N 3.12Å; V363-W366 WeakPolarHBondContact O-CB 3.31Å; V363-W366 PolarHBondContact O-N 3.32Å; L364-W366 VanDerWaalsContact C-N 3.32Å; W366-I368 PolarHBondContact O-N 3.31Å; W366-L369 HydrophobicContact CE3-CD2 4.4Å; W366-L369 HydrophobicContact CH2-CD2 3.65Å; W366-L369 HydrophobicContact CZ3-CD2 3.53Å; W366-L369 PolarHBondContact O-N 3.44Å; W366-P370 WeakPolarHBondContact O-CD 3.38Å; W366-T472 PolarHBondContact NE1-O 2.96Å; W366-T475 HydrophobicContact CD2-CG2 4.47Å; W366-T475 HydrophobicContact CH2-CG2 3.71Å; W366-T475 HydrophobicContact CZ2-CG2 3.48Å; W366-T475 VanDerWaalsContact CZ2-CG2 3.48Å; W366-T475 HydrophobicContact CZ3-CG2 4.26Å; W366-L476 HydrophobicContact CB-CD2 4.3Å; W366-L476 VanDerWaalsContact CD1-CD2 3.47Å; W366-L476 HydrophobicContact CG-CD2 3.98Å; W366-L476 HydrophobicContact CG-CG 4.45Å; W366-L498 HydrophobicContact CB-CD1 4.4Å; W366-L498 HydrophobicContact CB-CD2 4.31Å; W366-L498 HydrophobicContact CD2-CD1 3.97Å; W366-L498 HydrophobicContact CD2-CD2 4.37Å; W366-L498 HydrophobicContact CD2-CG 4.48Å; W366-L498 HydrophobicContact CE3-CD1 4.01Å; W366-L498 HydrophobicContact CE3-CD2 3.79Å; W366-L498 HydrophobicContact CE3-CG 4.01Å; W366-L498 HydrophobicContact CG-CD1 4.15Å; W366-L498 HydrophobicContact CZ3-CG 4.48Å; W366-L502 HydrophobicContact CH2-CB 4.27Å; W366-L502 HydrophobicContact CH2-CD1 3.67Å; W366-L502 HydrophobicContact CH2-CD2 3.77Å; W366-L502 HydrophobicContact CH2-CG 4.09Å; W366-L502 HydrophobicContact CZ2-CD1 4.37Å; W366-L502 HydrophobicContact CZ3-CD2 3.94Å
367	P	88.4	Confident	90.1	Very high	13 Å²	13	51 Å²	51	8%	0.084	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-19.4	-178.6	-27.6	38	0	0	0	115.7	L364 F365 P370 F371 L668 V672	L364-P367 VanDerWaalsContact O-CD 3.29Å; L364-P367 WeakPolarHBondContact O-CD 3.46Å; F365-P367 VanDerWaalsContact C-N 3.35Å; P367-P370 WeakPolarHBondContact O-CD 3.25Å; P367-P370 WeakPolarHBondContact O-CG 3.38Å; P367-F371 WeakPolarHBondContact O-CB 3.28Å; P367-F371 PolarHBondContact O-N 3.45Å; P367-F371 VanDerWaalsContact O-N 3.12Å; P367-L668 HydrophobicContact CB-CB 4.07Å; P367-L668 HydrophobicContact CB-CD2 4.21Å; P367-V672 HydrophobicContact CG-CG2 3.25Å
368	I	86.8	Confident	90.3	Very high	98 Å²	98	54 Å²	54	50%	0.503	29%	0.29	S	S	.	.	H	α-helix	trans	-65.1	-45	179.1	-61.1	172.1	0	0	0	110.6	F365 W366 F371 I372	F365-I368 HydrophobicContact CB-CD1 4.37Å; F365-I368 HydrophobicContact CD1-CD1 4.16Å; F365-I368 WeakPolarHBondContact O-CB 3.36Å; F365-I368 WeakPolarHBondContact O-CG1 3.45Å; F365-I368 PolarHBondContact O-N 3.39Å; W366-I368 PolarHBondContact O-N 3.31Å; I368-F371 PolarHBondContact O-N 3.03Å; I368-I372 HydrophobicContact CG2-CD1 3.84Å; I368-I372 WeakPolarHBondContact O-CG1 3.39Å; I368-I372 PolarHBondContact O-N 3.32Å
369	L	90.4	Very high	90.9	Very high	72 Å²	72	55.8 Å²	55.8	38%	0.377	31%	0.306	S	S	.	.	H	α-helix	trans	-61.7	-54.4	-178.8	-179.3	65.4	0	0	0	113.2	W366 F371 I372 L373 L502	W366-L369 HydrophobicContact CE3-CD2 4.4Å; W366-L369 HydrophobicContact CH2-CD2 3.65Å; W366-L369 HydrophobicContact CZ3-CD2 3.53Å; W366-L369 PolarHBondContact O-N 3.44Å; L369-F371 VanDerWaalsContact C-N 3.29Å; L369-F371 PolarHBondContact O-N 3.07Å; L369-I372 PolarHBondContact O-N 3.06Å; L369-L373 HydrophobicContact CG-CD1 4.27Å; L369-L373 WeakPolarHBondContact O-CG 3.31Å; L369-L373 PolarHBondContact O-N 3.09Å; L369-L502 HydrophobicContact CD2-CD2 4.27Å
370	P	92.3	Very high	91.3	Very high	9 Å²	9	56.2 Å²	56.2	6%	0.058	30%	0.297	C	S	.	.	H	α-helix	trans	-65.9	-31.5	177.9	29	-34.4	0	0	0	112.3	W366 P367 I372 L373 E374 V468 T472	W366-P370 WeakPolarHBondContact O-CD 3.38Å; P367-P370 WeakPolarHBondContact O-CD 3.25Å; P367-P370 WeakPolarHBondContact O-CG 3.38Å; P370-I372 PolarHBondContact O-N 3.4Å; P370-L373 PolarHBondContact O-N 3.01Å; P370-E374 WeakPolarHBondContact O-CB 3.44Å; P370-E374 VanDerWaalsContact O-CG 3.27Å; P370-E374 WeakPolarHBondContact O-CG 3.39Å; P370-E374 PolarHBondContact O-N 3.48Å; P370-V468 HydrophobicContact CB-CG1 3.74Å; P370-T472 HydrophobicContact CB-CG2 4.32Å; P370-T472 WeakPolarHBondContact CB-OG1 3.43Å; P370-T472 HydrophobicContact CG-CG2 3.94Å
371	F	89.4	Confident	91.6	Very high	99 Å²	99	56.1 Å²	56.1	43%	0.434	30%	0.297	S	S	.	.	H	α-helix	trans	-60.4	-45.7	172.7	178.8	-104.7	0	0	0	111.8	P367 I368 L369 L373 E374 L375	P367-F371 WeakPolarHBondContact O-CB 3.28Å; P367-F371 PolarHBondContact O-N 3.45Å; P367-F371 VanDerWaalsContact O-N 3.12Å; I368-F371 PolarHBondContact O-N 3.03Å; L369-F371 VanDerWaalsContact C-N 3.29Å; L369-F371 PolarHBondContact O-N 3.07Å; F371-L373 PolarHBondContact O-N 3.21Å; F371-E374 PolarHBondContact O-N 3.48Å; F371-L375 HydrophobicContact CD1-CD1 4Å; F371-L375 HydrophobicContact CE1-CD1 3.42Å; F371-L375 VanDerWaalsContact CE1-CD1 3.42Å; F371-L375 HydrophobicContact CE1-CG 4.15Å; F371-L375 HydrophobicContact CE2-CD1 4.47Å; F371-L375 HydrophobicContact CE2-CG 4.41Å; F371-L375 HydrophobicContact CZ-CD1 3.7Å; F371-L375 HydrophobicContact CZ-CD2 4.33Å; F371-L375 HydrophobicContact CZ-CG 4.09Å; F371-L375 WeakPolarHBondContact O-CG 3.35Å; F371-L375 PolarHBondContact O-N 2.83Å
372	I	92.6	Very high	92.1	Very high	82 Å²	82	57.1 Å²	57.1	42%	0.421	30%	0.299	S	S	.	.	H	α-helix	trans	-61.4	-44.9	174.8	-67.7	167	0	0	0	110.7	I368 L369 P370 E374 L375 I376	I368-I372 HydrophobicContact CG2-CD1 3.84Å; I368-I372 WeakPolarHBondContact O-CG1 3.39Å; I368-I372 PolarHBondContact O-N 3.32Å; L369-I372 PolarHBondContact O-N 3.06Å; P370-I372 PolarHBondContact O-N 3.4Å; I372-E374 PolarHBondContact O-N 3.28Å; I372-L375 PolarHBondContact O-N 2.77Å; I372-I376 HydrophobicContact CG2-CD1 3.94Å; I372-I376 VanDerWaalsContact O-CG1 3.32Å; I372-I376 WeakPolarHBondContact O-CG1 3.29Å; I372-I376 PolarHBondContact O-N 2.7Å
373	L	94.5	Very high	92.3	Very high	60 Å²	60	57.9 Å²	57.9	31%	0.314	30%	0.296	S	S	.	.	H	α-helix	trans	-62.7	-41.5	178	-67.6	174.9	0	0	0	112.2	L369 P370 F371 I376 V377 V468	L369-L373 HydrophobicContact CG-CD1 4.27Å; L369-L373 WeakPolarHBondContact O-CG 3.31Å; L369-L373 PolarHBondContact O-N 3.09Å; P370-L373 PolarHBondContact O-N 3.01Å; F371-L373 PolarHBondContact O-N 3.21Å; L373-I376 PolarHBondContact O-N 3.14Å; L373-V377 WeakPolarHBondContact O-CG2 3.34Å; L373-V377 PolarHBondContact O-N 2.89Å; L373-V468 HydrophobicContact CB-CG1 3.87Å; L373-V468 HydrophobicContact CB-CG2 4.01Å; L373-V468 HydrophobicContact CD1-CG1 4.35Å
374	E	94.6	Very high	92.4	Very high	46 Å²	46	57.9 Å²	57.9	22%	0.215	30%	0.296	C	S	.	.	H	α-helix	trans	-63.6	-41.7	175.3	-73.2	-176.1	173.1	0	0	111.5	P370 F371 I372 I376 V377 I378 I465 V468 K469	P370-E374 WeakPolarHBondContact O-CB 3.44Å; P370-E374 VanDerWaalsContact O-CG 3.27Å; P370-E374 WeakPolarHBondContact O-CG 3.39Å; P370-E374 PolarHBondContact O-N 3.48Å; F371-E374 PolarHBondContact O-N 3.48Å; I372-E374 PolarHBondContact O-N 3.28Å; E374-I376 PolarHBondContact O-N 2.91Å; E374-V377 PolarHBondContact O-N 2.9Å; E374-I378 WeakPolarHBondContact O-CG1 3.45Å; E374-I378 PolarHBondContact O-N 2.81Å; E374-I465 HydrophobicContact CB-CD1 3.75Å; E374-I465 HydrophobicContact CG-CD1 3.72Å; E374-V468 HydrophobicContact CG-CB 4.31Å; E374-V468 HydrophobicContact CG-CG1 3.9Å; E374-K469 WeakPolarHBondContact OE1-CE 3.44Å; E374-K469 WeakPolarHBondContact OE1-CG 3.36Å
375	L	93.3	Very high	92.8	Very high	84 Å²	84	58.6 Å²	58.6	44%	0.44	30%	0.303	S	S	.	.	H	α-helix	trans	-62.3	-41	174.4	-74.7	-179	0	0	0	112.3	F371 I372 V377 I378 A379	F371-L375 HydrophobicContact CD1-CD1 4Å; F371-L375 HydrophobicContact CE1-CD1 3.42Å; F371-L375 VanDerWaalsContact CE1-CD1 3.42Å; F371-L375 HydrophobicContact CE1-CG 4.15Å; F371-L375 HydrophobicContact CE2-CD1 4.47Å; F371-L375 HydrophobicContact CE2-CG 4.41Å; F371-L375 HydrophobicContact CZ-CD1 3.7Å; F371-L375 HydrophobicContact CZ-CD2 4.33Å; F371-L375 HydrophobicContact CZ-CG 4.09Å; F371-L375 WeakPolarHBondContact O-CG 3.35Å; F371-L375 PolarHBondContact O-N 2.83Å; I372-L375 PolarHBondContact O-N 2.77Å; L375-V377 VanDerWaalsContact C-N 3.32Å; L375-V377 PolarHBondContact O-N 3Å; L375-I378 PolarHBondContact O-N 2.89Å; L375-A379 VanDerWaalsContact O-CB 3.31Å; L375-A379 WeakPolarHBondContact O-CB 3.31Å; L375-A379 PolarHBondContact O-N 3.5Å
376	I	96.2	Very high	93	Very high	95 Å²	95	55.3 Å²	55.3	49%	0.487	29%	0.29	S	S	.	.	H	α-helix	trans	-60.3	-44.4	175.3	-70.2	165.7	0	0	0	110.3	I372 L373 E374 A379 Q380	I372-I376 HydrophobicContact CG2-CD1 3.94Å; I372-I376 VanDerWaalsContact O-CG1 3.32Å; I372-I376 WeakPolarHBondContact O-CG1 3.29Å; I372-I376 PolarHBondContact O-N 2.7Å; L373-I376 PolarHBondContact O-N 3.14Å; E374-I376 PolarHBondContact O-N 2.91Å; I376-A379 PolarHBondContact O-N 3.03Å; I376-Q380 WeakPolarHBondContact O-CB 3.36Å; I376-Q380 PolarHBondContact O-N 2.9Å
377	V	96.7	Very high	93	Very high	16 Å²	16	54.7 Å²	54.7	10%	0.097	29%	0.289	C	S	.	.	H	α-helix	trans	-62.5	-46.8	176.9	172.1	0	0	0	0	111.1	L373 E374 L375 A379 Q380 V381 F461 L464 I465	L373-V377 WeakPolarHBondContact O-CG2 3.34Å; L373-V377 PolarHBondContact O-N 2.89Å; E374-V377 PolarHBondContact O-N 2.9Å; L375-V377 VanDerWaalsContact C-N 3.32Å; L375-V377 PolarHBondContact O-N 3Å; V377-A379 PolarHBondContact O-N 2.82Å; V377-Q380 PolarHBondContact O-N 2.95Å; V377-V381 HydrophobicContact CG1-CG2 4.4Å; V377-V381 WeakPolarHBondContact O-CB 3.48Å; V377-V381 VanDerWaalsContact O-CG2 3.26Å; V377-V381 WeakPolarHBondContact O-CG2 3.45Å; V377-V381 PolarHBondContact O-N 3.42Å; V377-F461 HydrophobicContact CG1-CD2 4.4Å; V377-L464 HydrophobicContact CB-CB 4.48Å; V377-L464 HydrophobicContact CG1-CB 3.7Å; V377-L464 HydrophobicContact CG1-CD1 4.32Å; V377-L464 HydrophobicContact CG2-CB 3.86Å; V377-L464 HydrophobicContact CG2-CD1 4.44Å; V377-I465 HydrophobicContact CB-CD1 4.13Å; V377-I465 HydrophobicContact CG1-CD1 4.01Å; V377-I465 HydrophobicContact CG1-CG1 3.93Å
378	I	95.7	Very high	93.1	Very high	64 Å²	64	54.1 Å²	54.1	33%	0.328	29%	0.285	S	S	.	.	H	α-helix	trans	-60.2	-47.5	177.8	-69.8	163.1	0	0	0	110.6	E374 L375 Q380 V381 L382 F461 I465	E374-I378 WeakPolarHBondContact O-CG1 3.45Å; E374-I378 PolarHBondContact O-N 2.81Å; L375-I378 PolarHBondContact O-N 2.89Å; I378-Q380 PolarHBondContact O-N 3.22Å; I378-V381 PolarHBondContact O-N 3.23Å; I378-L382 HydrophobicContact CG2-CD1 3.82Å; I378-L382 HydrophobicContact CG2-CG 4.29Å; I378-L382 WeakPolarHBondContact O-CB 3.27Å; I378-L382 VanDerWaalsContact O-CG 3.3Å; I378-L382 WeakPolarHBondContact O-CG 3.46Å; I378-L382 PolarHBondContact O-N 3.46Å; I378-F461 HydrophobicContact CG1-CE2 3.98Å; I378-I465 HydrophobicContact CG1-CD1 4.45Å
379	A	95.5	Very high	93	Very high	60 Å²	60	58 Å²	58	50%	0.496	29%	0.293	S	S	.	.	H	α-helix	trans	-60.5	-45.5	179.8	0	0	0	0	0	111.7	L375 I376 V377 L382 F383	L375-A379 VanDerWaalsContact O-CB 3.31Å; L375-A379 WeakPolarHBondContact O-CB 3.31Å; L375-A379 PolarHBondContact O-N 3.5Å; I376-A379 PolarHBondContact O-N 3.03Å; V377-A379 PolarHBondContact O-N 2.82Å; A379-L382 PolarHBondContact O-N 3.36Å; A379-F383 VanDerWaalsContact O-CB 3.27Å; A379-F383 WeakPolarHBondContact O-CB 3.13Å; A379-F383 PolarHBondContact O-N 3.33Å
380	Q	94.4	Very high	92.7	Very high	75 Å²	75	55 Å²	55	35%	0.35	28%	0.278	S	S	.	.	H	α-helix	trans	-60.7	-47.4	176	-85.3	-69	-17	0	0	112.2	F42 I376 V377 I378 L382 F383 V384	F42-Q380 HydrophobicContact CE1-CB 4.31Å; F42-Q380 HydrophobicContact CZ-CB 4.44Å; I376-Q380 WeakPolarHBondContact O-CB 3.36Å; I376-Q380 PolarHBondContact O-N 2.9Å; V377-Q380 PolarHBondContact O-N 2.95Å; I378-Q380 PolarHBondContact O-N 3.22Å; Q380-L382 PolarHBondContact O-N 3.49Å; Q380-F383 WeakPolarHBondContact O-CB 3.48Å; Q380-F383 PolarHBondContact O-N 3.47Å; Q380-V384 WeakPolarHBondContact O-CG2 3.19Å; Q380-V384 PolarHBondContact O-N 2.88Å
381	V	96.1	Very high	92.4	Very high	16 Å²	16	55.1 Å²	55.1	10%	0.097	28%	0.278	C	S	.	.	H	α-helix	trans	-63.9	-41.8	-179.8	167.3	0	0	0	0	111.6	F42 V377 I378 A385 N457 F461	F42-V381 HydrophobicContact CZ-CG2 4.17Å; V377-V381 HydrophobicContact CG1-CG2 4.4Å; V377-V381 WeakPolarHBondContact O-CB 3.48Å; V377-V381 VanDerWaalsContact O-CG2 3.26Å; V377-V381 WeakPolarHBondContact O-CG2 3.45Å; V377-V381 PolarHBondContact O-N 3.42Å; I378-V381 PolarHBondContact O-N 3.23Å; V381-A385 VanDerWaalsContact O-CB 3.22Å; V381-A385 WeakPolarHBondContact O-CB 3.42Å; V381-A385 PolarHBondContact O-N 3.41Å; V381-N457 PolarHBondContact O-ND2 2.84Å; V381-F461 HydrophobicContact CB-CB 4.37Å; V381-F461 HydrophobicContact CB-CD2 4.34Å; V381-F461 HydrophobicContact CG1-CB 3.87Å; V381-F461 HydrophobicContact CG1-CD2 4.21Å; V381-F461 HydrophobicContact CG1-CG 4.24Å; V381-F461 HydrophobicContact CG2-CB 3.71Å; V381-F461 HydrophobicContact CG2-CD2 4.08Å; V381-F461 HydrophobicContact CG2-CG 4.37Å
382	L	94.3	Very high	91.9	Very high	99 Å²	99	50.8 Å²	50.8	52%	0.518	26%	0.261	S	S	.	.	H	α-helix	trans	-64.7	-43.9	176.1	-73.2	176.3	0	0	0	111.4	I378 A379 Q380 A385 I386	I378-L382 HydrophobicContact CG2-CD1 3.82Å; I378-L382 HydrophobicContact CG2-CG 4.29Å; I378-L382 WeakPolarHBondContact O-CB 3.27Å; I378-L382 VanDerWaalsContact O-CG 3.3Å; I378-L382 WeakPolarHBondContact O-CG 3.46Å; I378-L382 PolarHBondContact O-N 3.46Å; A379-L382 PolarHBondContact O-N 3.36Å; Q380-L382 PolarHBondContact O-N 3.49Å; L382-A385 PolarHBondContact O-N 2.67Å; L382-I386 WeakPolarHBondContact O-CB 3.5Å; L382-I386 VanDerWaalsContact O-CG1 3.26Å; L382-I386 WeakPolarHBondContact O-CG1 3.27Å; L382-I386 PolarHBondContact O-N 3.43Å
383	F	93.5	Very high	91	Very high	69 Å²	69	50 Å²	50	30%	0.303	26%	0.257	S	S	.	.	H	α-helix	trans	-58.2	-49.5	175.9	171.4	-98.1	0	0	0	111.8	T46 F50 A379 Q380 A385 I386 S387	T46-F383 HydrophobicContact CG2-CD1 4.2Å; T46-F383 HydrophobicContact CG2-CE1 4.01Å; F50-F383 HydrophobicContact CB-CE1 4.23Å; F50-F383 HydrophobicContact CB-CZ 3.93Å; F50-F383 HydrophobicContact CD2-CE2 4.21Å; F50-F383 AromaticContact CD2-CZ 3.57Å; F50-F383 HydrophobicContact CD2-CZ 3.57Å; F50-F383 HydrophobicContact CE2-CZ 4.45Å; F50-F383 HydrophobicContact CG-CZ 4.08Å; A379-F383 VanDerWaalsContact O-CB 3.27Å; A379-F383 WeakPolarHBondContact O-CB 3.13Å; A379-F383 PolarHBondContact O-N 3.33Å; Q380-F383 WeakPolarHBondContact O-CB 3.48Å; Q380-F383 PolarHBondContact O-N 3.47Å; F383-A385 PolarHBondContact O-N 3.03Å; F383-I386 PolarHBondContact O-N 2.98Å; F383-S387 VanDerWaalsContact O-CB 3.26Å; F383-S387 WeakPolarHBondContact O-CB 3.46Å; F383-S387 PolarHBondContact O-N 2.94Å; F383-S387 PolarHBondContact O-OG 2.98Å
384	V	94.3	Very high	90	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62.6	-43.3	176.7	174.3	0	0	0	0	110.9	F42 V45 T46 Q380 I386 S387 L388 N457	F42-V384 HydrophobicContact CE2-CG2 4.29Å; F42-V384 HydrophobicContact CZ-CG2 4.25Å; V45-V384 HydrophobicContact CG1-CG1 4.06Å; T46-V384 HydrophobicContact CG2-CG2 4.01Å; T46-V384 WeakPolarHBondContact OG1-CG2 3.3Å; Q380-V384 WeakPolarHBondContact O-CG2 3.19Å; Q380-V384 PolarHBondContact O-N 2.88Å; V384-I386 PolarHBondContact O-N 2.91Å; V384-S387 PolarHBondContact O-N 3.44Å; V384-L388 HydrophobicContact CG1-CD1 3.7Å; V384-L388 HydrophobicContact CG1-CG 4.06Å; V384-L388 VanDerWaalsContact O-CB 3.32Å; V384-L388 WeakPolarHBondContact O-CB 3.31Å; V384-L388 VanDerWaalsContact O-CG 3.25Å; V384-L388 WeakPolarHBondContact O-CG 3.35Å; V384-L388 PolarHBondContact O-N 3.49Å; V384-N457 HydrophobicContact CG1-CB 4.13Å
385	A	93.2	Very high	88.9	Confident	21 Å²	21	48 Å²	48	17%	0.174	25%	0.249	C	C	.	.	H	α-helix	trans	-61.6	-45	-179.9	0	0	0	0	0	112.5	V381 L382 F383 R389 Q454 N457	V381-A385 VanDerWaalsContact O-CB 3.22Å; V381-A385 WeakPolarHBondContact O-CB 3.42Å; V381-A385 PolarHBondContact O-N 3.41Å; L382-A385 PolarHBondContact O-N 2.67Å; F383-A385 PolarHBondContact O-N 3.03Å; A385-R389 PolarHBondContact O-N 2.82Å; A385-Q454 VanDerWaalsContact CB-NE2 3.29Å; A385-N457 PolarHBondContact N-ND2 3.04Å
386	I	89.7	Confident	87.8	Confident	66 Å²	66	44 Å²	44	34%	0.338	23%	0.228	S	C	.	.	H	α-helix	trans	-67.2	-47.6	177.9	-65.1	164.8	0	0	0	109.5	F55 V58 L382 F383 V384 L388 R389 T390	F55-I386 HydrophobicContact CD2-CG2 3.99Å; F55-I386 HydrophobicContact CE2-CG2 3.63Å; V58-I386 HydrophobicContact CG2-CG2 3.94Å; L382-I386 WeakPolarHBondContact O-CB 3.5Å; L382-I386 VanDerWaalsContact O-CG1 3.26Å; L382-I386 WeakPolarHBondContact O-CG1 3.27Å; L382-I386 PolarHBondContact O-N 3.43Å; F383-I386 PolarHBondContact O-N 2.98Å; V384-I386 PolarHBondContact O-N 2.91Å; I386-L388 PolarHBondContact O-N 3.48Å; I386-R389 WeakPolarHBondContact O-CB 3.26Å; I386-R389 PolarHBondContact O-N 3.24Å; I386-R389 VanDerWaalsContact O-N 3.16Å; I386-T390 VanDerWaalsContact O-CG2 3.3Å; I386-T390 WeakPolarHBondContact O-CG2 3.43Å; I386-T390 PolarHBondContact O-N 2.99Å; I386-T390 VanDerWaalsContact O-N 3.15Å
387	S	90.4	Very high	86.5	Confident	4 Å²	4	40.9 Å²	40.9	3%	0.028	21%	0.213	C	C	.	.	H	α-helix	trans	-61.5	-44.9	-178.4	-57.1	0	0	0	0	111.9	F383 V384 R389 T390 I391	F383-S387 VanDerWaalsContact O-CB 3.26Å; F383-S387 WeakPolarHBondContact O-CB 3.46Å; F383-S387 PolarHBondContact O-N 2.94Å; F383-S387 PolarHBondContact O-OG 2.98Å; V384-S387 PolarHBondContact O-N 3.44Å; S387-R389 VanDerWaalsContact C-N 3.29Å; S387-R389 PolarHBondContact O-N 3.34Å; S387-T390 PolarHBondContact O-N 3.28Å; S387-T390 PolarHBondContact O-OG1 3.34Å; S387-I391 PolarHBondContact O-N 3.47Å
388	L	90.9	Very high	85	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-59.6	-38.7	175.3	-75	175.2	0	0	0	112.6	V384 I386 T390 I391 L453	V384-L388 HydrophobicContact CG1-CD1 3.7Å; V384-L388 HydrophobicContact CG1-CG 4.06Å; V384-L388 VanDerWaalsContact O-CB 3.32Å; V384-L388 WeakPolarHBondContact O-CB 3.31Å; V384-L388 VanDerWaalsContact O-CG 3.25Å; V384-L388 WeakPolarHBondContact O-CG 3.35Å; V384-L388 PolarHBondContact O-N 3.49Å; I386-L388 PolarHBondContact O-N 3.48Å; L388-T390 PolarHBondContact O-N 3.49Å; L388-I391 HydrophobicContact CD2-CD1 4.19Å; L388-I391 WeakPolarHBondContact O-CB 3.41Å; L388-I391 PolarHBondContact O-N 2.92Å; L388-I391 VanDerWaalsContact O-N 3.17Å; L388-L453 HydrophobicContact CD1-CB 3.72Å; L388-L453 HydrophobicContact CD2-CB 3.95Å; L388-L453 HydrophobicContact CD2-CD1 3.72Å
389	R	84.7	Confident	83.3	Confident	180 Å²	180	44.8 Å²	44.8	68%	0.679	23%	0.229	S	C	*	.	H	α-helix	trans	-67.5	-25.4	176.7	-169.9	175.5	-179.7	-172.4	-1.7	112.8	A385 I386 S387 I391	A385-R389 PolarHBondContact O-N 2.82Å; I386-R389 WeakPolarHBondContact O-CB 3.26Å; I386-R389 PolarHBondContact O-N 3.24Å; I386-R389 VanDerWaalsContact O-N 3.16Å; S387-R389 VanDerWaalsContact C-N 3.29Å; S387-R389 PolarHBondContact O-N 3.34Å; R389-I391 VanDerWaalsContact C-N 3.27Å
390	T	85	Confident	81.4	Confident	10 Å²	10	44.2 Å²	44.2	6%	0.061	22%	0.22	C	C	.	.	H	α-helix	trans	-75.3	-18	174.9	70.6	0	0	0	0	113.4	G53 D54 V58 I386 S387 L388 A392	G53-T390 WeakPolarHBondContact CA-OG1 3.43Å; D54-T390 PolarHBondContact N-OG1 2.93Å; D54-T390 WeakPolarHBondContact O-CB 3.41Å; V58-T390 HydrophobicContact CG2-CG2 3.4Å; I386-T390 VanDerWaalsContact O-CG2 3.3Å; I386-T390 WeakPolarHBondContact O-CG2 3.43Å; I386-T390 PolarHBondContact O-N 2.99Å; I386-T390 VanDerWaalsContact O-N 3.15Å; S387-T390 PolarHBondContact O-N 3.28Å; S387-T390 PolarHBondContact O-OG1 3.34Å; L388-T390 PolarHBondContact O-N 3.49Å; T390-A392 VanDerWaalsContact C-N 3.3Å; T390-A392 PolarHBondContact O-N 3.43Å
391	I	86	Confident	79.3	Confident	11 Å²	11	47 Å²	47	6%	0.056	24%	0.237	C	C	.	.			trans	-78.5	83.3	174.2	-53.4	172.6	0	0	0	108.5	M52 S387 L388 R389 Y449 T450	M52-I391 HydrophobicContact CB-CD1 3.68Å; M52-I391 HydrophobicContact CB-CG1 4.02Å; S387-I391 PolarHBondContact O-N 3.47Å; L388-I391 HydrophobicContact CD2-CD1 4.19Å; L388-I391 WeakPolarHBondContact O-CB 3.41Å; L388-I391 PolarHBondContact O-N 2.92Å; L388-I391 VanDerWaalsContact O-N 3.17Å; R389-I391 VanDerWaalsContact C-N 3.27Å; I391-Y449 WeakPolarHBondContact CG2-OH 3.48Å; I391-T450 HydrophobicContact CB-CG2 4.23Å; I391-T450 HydrophobicContact CG2-CG2 4.34Å
392	A	78.3	Confident	76.9	Confident	8 Å²	8	51.4 Å²	51.4	7%	0.066	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	146.6	-174.2	0	0	0	0	0	111.3	R57 T390 Y444 G445	R57-A392 PolarHBondContact NH1-O 3.29Å; T390-A392 VanDerWaalsContact C-N 3.3Å; T390-A392 PolarHBondContact O-N 3.43Å; A392-Y444 HydrophobicContact CB-CG 4.47Å; A392-G445 WeakPolarHBondContact CA-O 3.28Å; A392-G445 WeakPolarHBondContact CB-O 3.34Å
393	D	74.4	Confident	74.3	Confident	66 Å²	66	53.6 Å²	53.6	35%	0.353	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	142.4	179.7	-63.5	-39.4	0	0	0	109.4	I395 Y444 G445 R447	D393-I395 PolarHBondContact O-N 3.45Å; D393-Y444 CarbonylContact O-C 3.2Å; D393-Y444 WeakPolarHBondContact O-CA 3.48Å; D393-G445 PolarHBondContact N-O 3.39Å; D393-G445 VanDerWaalsContact N-O 3.07Å; D393-G445 PolarHBondContact O-N 2.9Å; D393-R447 VanDerWaalsContact CG-NE 3.31Å; D393-R447 IonicContact OD1-CZ 2.8Å; D393-R447 IonicContact OD1-NE 2.88Å; D393-R447 PolarHBondContact OD1-NE 3.45Å; D393-R447 IonicContact OD1-NH2 3.65Å; D393-R447 PolarHBondContact OD1-NH2 2.87Å; D393-R447 WeakPolarHBondContact OD2-CG 3.31Å; D393-R447 IonicContact OD2-CZ 3.42Å; D393-R447 IonicContact OD2-NE 2.82Å; D393-R447 PolarHBondContact OD2-NE 2.8Å; D393-R447 IonicContact OD2-NH2 3.58Å
394	P	72.1	Confident	71.9	Confident	16 Å²	16	56 Å²	56	10%	0.104	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	123.2	178.9	27.2	-31.7	0	0	0	110.4	P429 L430 F441 Y444	P394-P429 HydrophobicContact CB-CG 3.73Å; P394-P429 HydrophobicContact CG-CG 4.01Å; P394-P429 WeakPolarHBondContact O-CD 3.42Å; P394-L430 HydrophobicContact CG-CD1 3.46Å; P394-L430 VanDerWaalsContact CG-CD1 3.46Å; P394-L430 HydrophobicContact CG-CG 3.69Å; P394-F441 HydrophobicContact CB-CD2 3.55Å; P394-F441 HydrophobicContact CB-CE2 3.72Å; P394-Y444 HydrophobicContact CB-CD1 4.16Å; P394-Y444 HydrophobicContact CB-CE1 3.94Å
395	I	72.1	Confident	69.3	Low	47 Å²	47	62.4 Å²	62.4	24%	0.241	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	123.6	171	-61.8	-178.3	0	0	0	107.5	D393 P426 L442 Y443	D393-I395 PolarHBondContact O-N 3.45Å; I395-P426 HydrophobicContact CG2-CB 4.13Å; I395-L442 PolarHBondContact O-N 3.36Å; I395-Y443 WeakPolarHBondContact CA-O 3.39Å; I395-Y443 HydrophobicContact CB-CE1 4.48Å; I395-Y443 WeakPolarHBondContact CB-O 3.3Å; I395-Y443 HydrophobicContact CD1-CE2 3.89Å; I395-Y443 HydrophobicContact CG2-CE1 4.32Å; I395-Y443 PolarHBondContact N-O 2.96Å; I395-Y443 PolarHBondContact O-N 2.86Å
396	G	70	Confident	66.9	Low	0 Å²	0	65.4 Å²	65.4	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	174.1	172.4	0	0	0	0	0	113.4	P426 C427 R440	G396-P426 CarbonylContact O-C 3.57Å; G396-P426 WeakPolarHBondContact O-CA 3.4Å; G396-C427 VanDerWaalsContact C-SG 3.54Å; G396-C427 PolarHBondContact N-O 3.4Å; G396-C427 PolarHBondContact O-N 3.47Å; G396-R440 CarbonylContact C-O 3.54Å; G396-R440 VanDerWaalsContact C-O 3.3Å; G396-R440 WeakPolarHBondContact CA-O 3.3Å
397	T	68.4	Low	64.6	Low	29 Å²	29	67.4 Å²	67.4	18%	0.178	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	149.2	172.9	66.2	0	0	0	0	111.2	Q423 R440 L442	T397-Q423 WeakPolarHBondContact CB-O 3.42Å; T397-Q423 WeakPolarHBondContact CG2-O 3.4Å; T397-Q423 PolarHBondContact OG1-O 2.82Å; T397-R440 PolarHBondContact N-O 3.04Å; T397-R440 PolarHBondContact O-N 3.46Å; T397-L442 HydrophobicContact CG2-CD2 4.28Å
398	K	65.1	Low	62.2	Low	90 Å²	90	74 Å²	74	39%	0.391	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	131.7	-178.8	-68.4	-175.3	179	179.3	0	110.8	T400 C427	K398-T400 PolarHBondContact O-N 3.26Å; K398-C427 HydrophobicContact CG-CB 3.88Å; K398-C427 PolarHBondContact N-SG 2.63Å; K398-C427 VanDerWaalsContact N-SG 3.4Å
399	I	61.8	Low	60.5	Low	73 Å²	73	77.6 Å²	77.6	37%	0.374	44%	0.438	S	S	.	.			trans	-79.4	108.9	166	-53.8	173.8	0	0	0	106.6	N401 A438 R440	I399-N401 PolarHBondContact O-N 3.4Å; I399-A438 PolarHBondContact N-O 3.38Å; I399-R440 HydrophobicContact CD1-CB 4.18Å; I399-R440 HydrophobicContact CG1-CB 4.06Å
400	T	55.3	Low	59.1	Low	48 Å²	48	75 Å²	75	29%	0.294	43%	0.432	S	S	.	.			trans	-77.5	105.9	162.7	30.8	0	0	0	0	107.9	K398 F422	K398-T400 PolarHBondContact O-N 3.26Å; T400-F422 HydrophobicContact CG2-CB 4.43Å
401	N	49.1	Very low	58	Low	134 Å²	134	77.8 Å²	77.8	72%	0.717	45%	0.452	S	S	*	.			trans	-65.6	140.3	158.3	-67.9	-10.1	0	0	0	107.2	I399 D403	I399-N401 PolarHBondContact O-N 3.4Å; N401-D403 PolarHBondContact O-N 2.98Å
402	D	45.4	Very low	56.9	Low	107 Å²	107	82.2 Å²	82.2	57%	0.572	48%	0.476	S	S	*	.	S	Bend	trans	-56.9	96.8	177	-89.7	-17.6	0	0	0	110.1	R419	D402-R419 IonicContact OD1-CZ 3Å; D402-R419 IonicContact OD1-NE 2.64Å; D402-R419 PolarHBondContact OD1-NE 3.03Å; D402-R419 IonicContact OD1-NH1 3.42Å; D402-R419 PolarHBondContact OD1-NH1 3.22Å; D402-R419 IonicContact OD1-NH2 3.32Å; D402-R419 PolarHBondContact OD1-NH2 3.42Å
403	D	41	Very low	56.2	Low	145 Å²	145	89.1 Å²	89.1	78%	0.775	50%	0.504	S	S	*	.			trans	177.5	53.8	152.7	-88.6	-20.3	0	0	0	110.4	N401 T405	N401-D403 PolarHBondContact O-N 2.98Å; D403-T405 VanDerWaalsContact C-N 3.28Å; D403-T405 PolarHBondContact O-N 3.4Å
404	L	43.5	Very low	55.4	Low	120 Å²	120	88.3 Å²	88.3	63%	0.628	50%	0.502	S	S	*	.			trans	-77.3	95.8	151.2	-150.9	79.7	0	0	0	105	V406	L404-V406 HydrophobicContact CB-CG2 4.16Å; L404-V406 HydrophobicContact CD2-CG2 3.5Å; L404-V406 VanDerWaalsContact CD2-CG2 3.5Å; L404-V406 HydrophobicContact CG-CG2 3.82Å; L404-V406 PolarHBondContact O-N 3.38Å
405	T	39.1	Very low	54.8	Low	134 Å²	134	93.3 Å²	93.3	82%	0.822	52%	0.519	S	S	*	.			trans	-63.2	72.4	169.6	51.9	0	0	0	0	109	D403	D403-T405 VanDerWaalsContact C-N 3.28Å; D403-T405 PolarHBondContact O-N 3.4Å
406	V	42.6	Very low	54.3	Low	84 Å²	84	95.4 Å²	95.4	51%	0.509	53%	0.53	S	S	.	.			trans	-83.5	123.5	167.3	-176.2	0	0	0	0	105.4	L404	L404-V406 HydrophobicContact CB-CG2 4.16Å; L404-V406 HydrophobicContact CD2-CG2 3.5Å; L404-V406 VanDerWaalsContact CD2-CG2 3.5Å; L404-V406 HydrophobicContact CG-CG2 3.82Å; L404-V406 PolarHBondContact O-N 3.38Å
407	T	41.9	Very low	53.8	Low	108 Å²	108	99.9 Å²	99.9	66%	0.663	55%	0.554	S	S	*	*			trans	-35.8	138.2	-179.5	39	0	0	0	0	113.3	G409	T407-G409 PolarHBondContact O-N 3.34Å
408	P	39.5	Very low	53.4	Low	143 Å²	143	101.9 Å²	101.9	93%	0.929	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	108.8	-179.5	26.7	-31.2	0	0	0	108.7
409	G	56.2	Low	53.1	Low	76 Å²	76	101.5 Å²	101.5	78%	0.784	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	174.2	-16.6	-176.7	0	0	0	0	0	115.8	T407	T407-G409 PolarHBondContact O-N 3.34Å
410	F	54.8	Low	53	Low	125 Å²	125	99.4 Å²	99.4	55%	0.548	56%	0.556	S	S	.	*	S	Bend	trans	-99.3	136.3	177.2	-86.5	-88.3	0	0	0	113.2	T414 R415	F410-T414 HydrophobicContact CD1-CG2 3.67Å; F410-T414 HydrophobicContact CE1-CG2 4.12Å; F410-R415 PolarHBondContact O-NH2 3.4Å
411	S	60.7	Low	53.3	Low	69 Å²	69	102.4 Å²	102.4	48%	0.483	57%	0.569	S	S	.	*			trans	-55.9	146.7	175.7	81.5	0	0	0	0	112.2	K413 T414 R415	S411-K413 PolarHBondContact O-N 3.32Å; S411-T414 PolarHBondContact O-N 3.45Å; S411-T414 PolarHBondContact OG-N 2.86Å; S411-T414 PolarHBondContact OG-OG1 3.18Å; S411-T414 VanDerWaalsContact OG-OG1 3.06Å; S411-R415 PolarHBondContact O-N 2.74Å; S411-R415 VanDerWaalsContact O-N 3.1Å
412	D	63.3	Low	53.8	Low	104 Å²	104	100.4 Å²	100.4	56%	0.556	55%	0.554	S	S	*	*	H	α-helix	trans	-56.3	-27.7	-178.4	-65.5	-21.3	0	0	0	113.3	R415 N416	D412-R415 IonicContact OD1-CZ 3.61Å; D412-R415 IonicContact OD1-NH1 3.68Å; D412-R415 PolarHBondContact OD1-NH1 2.92Å; D412-R415 IonicContact OD1-NH2 2.73Å; D412-R415 PolarHBondContact OD1-NH2 3.31Å; D412-N416 PolarHBondContact O-N 2.96Å; D412-N416 VanDerWaalsContact O-N 3.09Å; D412-N416 PolarHBondContact O-ND2 3.31Å; D412-N416 VanDerWaalsContact O-ND2 3.11Å
413	K	63.1	Low	54.5	Low	154 Å²	154	98.6 Å²	98.6	67%	0.67	54%	0.542	S	S	*	.	H	α-helix	trans	-68.9	-48.5	176.3	-168.4	177	-179.2	-176.6	0	111.7	S411 R415 N416 D417	S411-K413 PolarHBondContact O-N 3.32Å; K413-R415 VanDerWaalsContact C-N 3.28Å; K413-R415 PolarHBondContact O-N 3.48Å; K413-N416 PolarHBondContact O-N 3.5Å; K413-D417 VanDerWaalsContact O-CG 3.31Å; K413-D417 PolarHBondContact O-N 2.88Å
414	T	59	Low	55.4	Low	49 Å²	49	98 Å²	98	30%	0.301	54%	0.538	S	S	.	.	H	α-helix	trans	-63.6	-35.6	176.6	-44.2	0	0	0	0	111.6	F410 S411 D417 I418	F410-T414 HydrophobicContact CD1-CG2 3.67Å; F410-T414 HydrophobicContact CE1-CG2 4.12Å; S411-T414 PolarHBondContact O-N 3.45Å; S411-T414 PolarHBondContact OG-N 2.86Å; S411-T414 PolarHBondContact OG-OG1 3.18Å; S411-T414 VanDerWaalsContact OG-OG1 3.06Å; T414-D417 PolarHBondContact O-N 2.96Å; T414-I418 HydrophobicContact CG2-CD1 3.91Å; T414-I418 HydrophobicContact CG2-CG1 4.42Å; T414-I418 WeakPolarHBondContact O-CB 3.29Å; T414-I418 VanDerWaalsContact O-CG1 3.27Å; T414-I418 WeakPolarHBondContact O-CG1 3.43Å; T414-I418 PolarHBondContact O-N 2.73Å
415	R	59.7	Low	56.5	Low	121 Å²	121	95.6 Å²	95.6	46%	0.457	53%	0.525	S	S	.	.	H	α-helix	trans	-61.1	-44.9	173.9	-165.2	-177	-55.1	125	16.3	111.9	F410 S411 D412 K413 R419	F410-R415 PolarHBondContact O-NH2 3.4Å; S411-R415 PolarHBondContact O-N 2.74Å; S411-R415 VanDerWaalsContact O-N 3.1Å; D412-R415 IonicContact OD1-CZ 3.61Å; D412-R415 IonicContact OD1-NH1 3.68Å; D412-R415 PolarHBondContact OD1-NH1 2.92Å; D412-R415 IonicContact OD1-NH2 2.73Å; D412-R415 PolarHBondContact OD1-NH2 3.31Å; K413-R415 VanDerWaalsContact C-N 3.28Å; K413-R415 PolarHBondContact O-N 3.48Å; R415-R419 VanDerWaalsContact O-CB 3.32Å; R415-R419 WeakPolarHBondContact O-CB 3.44Å; R415-R419 PolarHBondContact O-N 3.34Å
416	N	60	Low	57.9	Low	91 Å²	91	93.6 Å²	93.6	49%	0.487	51%	0.514	S	S	.	.	H	α-helix	trans	-69	-38.5	177.8	-75	-34.2	0	0	0	112.7	D412 K413 R419 G420	D412-N416 PolarHBondContact O-N 2.96Å; D412-N416 VanDerWaalsContact O-N 3.09Å; D412-N416 PolarHBondContact O-ND2 3.31Å; D412-N416 VanDerWaalsContact O-ND2 3.11Å; K413-N416 PolarHBondContact O-N 3.5Å; N416-R419 PolarHBondContact O-N 2.77Å; N416-G420 PolarHBondContact O-N 2.98Å
417	D	60.4	Low	59.4	Low	93 Å²	93	90.6 Å²	90.6	50%	0.497	50%	0.497	S	S	.	.	H	α-helix	trans	-67.6	-44.3	178.5	-68.7	-22.5	0	0	0	111.4	K413 T414 R419 G420 I421	K413-D417 VanDerWaalsContact O-CG 3.31Å; K413-D417 PolarHBondContact O-N 2.88Å; T414-D417 PolarHBondContact O-N 2.96Å; D417-R419 PolarHBondContact O-N 3.18Å; D417-G420 PolarHBondContact O-N 2.86Å; D417-I421 WeakPolarHBondContact O-CG1 3.46Å; D417-I421 PolarHBondContact O-N 2.97Å
418	I	59.6	Low	60.7	Low	71 Å²	71	88.3 Å²	88.3	36%	0.364	48%	0.481	S	S	.	.	H	α-helix	trans	-63.2	-41.6	175	-69	170.7	0	0	0	111	T414 G420 I421 F422	T414-I418 HydrophobicContact CG2-CD1 3.91Å; T414-I418 HydrophobicContact CG2-CG1 4.42Å; T414-I418 WeakPolarHBondContact O-CB 3.29Å; T414-I418 VanDerWaalsContact O-CG1 3.27Å; T414-I418 WeakPolarHBondContact O-CG1 3.43Å; T414-I418 PolarHBondContact O-N 2.73Å; I418-G420 VanDerWaalsContact C-N 3.31Å; I418-G420 PolarHBondContact O-N 3.32Å; I418-I421 PolarHBondContact O-N 3.44Å; I418-F422 HydrophobicContact CG2-CD2 3.71Å; I418-F422 HydrophobicContact CG2-CE2 3.79Å; I418-F422 WeakPolarHBondContact O-CD2 3.49Å; I418-F422 PolarHBondContact O-N 3.2Å
419	R	58.7	Low	62	Low	82 Å²	82	82.8 Å²	82.8	31%	0.309	45%	0.445	S	S	.	.	H	α-helix	trans	-61.5	-39.5	175.3	-170.4	-177.1	-72.1	161.2	-4.4	111.7	D402 R415 N416 D417 I421 F422 Q423	D402-R419 IonicContact OD1-CZ 3Å; D402-R419 IonicContact OD1-NE 2.64Å; D402-R419 PolarHBondContact OD1-NE 3.03Å; D402-R419 IonicContact OD1-NH1 3.42Å; D402-R419 PolarHBondContact OD1-NH1 3.22Å; D402-R419 IonicContact OD1-NH2 3.32Å; D402-R419 PolarHBondContact OD1-NH2 3.42Å; R415-R419 VanDerWaalsContact O-CB 3.32Å; R415-R419 WeakPolarHBondContact O-CB 3.44Å; R415-R419 PolarHBondContact O-N 3.34Å; N416-R419 PolarHBondContact O-N 2.77Å; D417-R419 PolarHBondContact O-N 3.18Å; R419-I421 VanDerWaalsContact C-N 3.35Å; R419-F422 PolarHBondContact O-N 3Å; R419-Q423 WeakPolarHBondContact O-CG 3.39Å; R419-Q423 PolarHBondContact O-N 2.82Å; R419-Q423 VanDerWaalsContact O-N 3.14Å
420	G	60.4	Low	62.5	Low	30 Å²	30	85.4 Å²	85.4	31%	0.309	44%	0.44	S	S	.	.	H	α-helix	trans	-62.8	-38.7	173.6	0	0	0	0	0	113	N416 D417 I418 Q423 L424	N416-G420 PolarHBondContact O-N 2.98Å; D417-G420 PolarHBondContact O-N 2.86Å; I418-G420 VanDerWaalsContact C-N 3.31Å; I418-G420 PolarHBondContact O-N 3.32Å; G420-Q423 PolarHBondContact O-N 3.47Å; G420-L424 WeakPolarHBondContact O-CD1 3.29Å
421	I	61	Low	63.2	Low	110 Å²	110	84 Å²	84	56%	0.564	44%	0.435	S	S	*	.	H	α-helix	trans	-69.6	-42.6	176.6	-65.8	165.8	0	0	0	111.6	D417 I418 R419 Q423 L424	D417-I421 WeakPolarHBondContact O-CG1 3.46Å; D417-I421 PolarHBondContact O-N 2.97Å; I418-I421 PolarHBondContact O-N 3.44Å; R419-I421 VanDerWaalsContact C-N 3.35Å; I421-Q423 VanDerWaalsContact C-N 3.26Å; I421-Q423 PolarHBondContact O-N 2.87Å; I421-L424 WeakPolarHBondContact O-CA 3.45Å; I421-L424 WeakPolarHBondContact O-CB 3.39Å; I421-L424 PolarHBondContact O-N 3.38Å
422	F	59.3	Low	63.7	Low	92 Å²	92	87.8 Å²	87.8	40%	0.404	45%	0.45	S	S	.	.	H	α-helix	trans	-63.2	-33.3	176.8	-92	-78.2	0	0	0	112.6	T400 I418 R419 L424 I425	T400-F422 HydrophobicContact CG2-CB 4.43Å; I418-F422 HydrophobicContact CG2-CD2 3.71Å; I418-F422 HydrophobicContact CG2-CE2 3.79Å; I418-F422 WeakPolarHBondContact O-CD2 3.49Å; I418-F422 PolarHBondContact O-N 3.2Å; R419-F422 PolarHBondContact O-N 3Å; F422-L424 PolarHBondContact O-N 2.89Å; F422-I425 HydrophobicContact CD1-CD1 3.44Å; F422-I425 VanDerWaalsContact CD1-CD1 3.44Å; F422-I425 HydrophobicContact CE1-CD1 3.77Å; F422-I425 HydrophobicContact CG-CD1 4.23Å; F422-I425 PolarHBondContact O-N 3.24Å
423	Q	59.6	Low	64.3	Low	69 Å²	69	86.2 Å²	86.2	32%	0.322	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-7.8	172.1	-74.7	177.5	1.7	0	0	113.8	T397 R419 G420 I421	T397-Q423 WeakPolarHBondContact CB-O 3.42Å; T397-Q423 WeakPolarHBondContact CG2-O 3.4Å; T397-Q423 PolarHBondContact OG1-O 2.82Å; R419-Q423 WeakPolarHBondContact O-CG 3.39Å; R419-Q423 PolarHBondContact O-N 2.82Å; R419-Q423 VanDerWaalsContact O-N 3.14Å; G420-Q423 PolarHBondContact O-N 3.47Å; I421-Q423 VanDerWaalsContact C-N 3.26Å; I421-Q423 PolarHBondContact O-N 2.87Å
424	L	60.1	Low	64.7	Low	134 Å²	134	83.9 Å²	83.9	70%	0.702	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-1.3	174.5	-72.3	153.7	0	0	0	112.4	G420 I421 F422 P426	G420-L424 WeakPolarHBondContact O-CD1 3.29Å; I421-L424 WeakPolarHBondContact O-CA 3.45Å; I421-L424 WeakPolarHBondContact O-CB 3.39Å; I421-L424 PolarHBondContact O-N 3.38Å; F422-L424 PolarHBondContact O-N 2.89Å; L424-P426 WeakPolarHBondContact O-CD 3.47Å
425	I	66.8	Low	65	Low	68 Å²	68	83.3 Å²	83.3	35%	0.349	45%	0.445	S	S	.	.	S	Bend	trans	-76.8	121.8	177.7	-58.5	179.6	0	0	0	109.4	F422	F422-I425 HydrophobicContact CD1-CD1 3.44Å; F422-I425 VanDerWaalsContact CD1-CD1 3.44Å; F422-I425 HydrophobicContact CE1-CD1 3.77Å; F422-I425 HydrophobicContact CG-CD1 4.23Å; F422-I425 PolarHBondContact O-N 3.24Å
426	P	68.7	Low	65.3	Low	92 Å²	92	77.8 Å²	77.8	60%	0.597	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.1	139.6	179.7	26.6	-32.9	0	0	0	111.5	I395 G396 L424	I395-P426 HydrophobicContact CG2-CB 4.13Å; G396-P426 CarbonylContact O-C 3.57Å; G396-P426 WeakPolarHBondContact O-CA 3.4Å; L424-P426 WeakPolarHBondContact O-CD 3.47Å
427	C	73.7	Confident	65.6	Low	21 Å²	21	81.1 Å²	81.1	14%	0.142	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	163.1	170.6	53.9	0	0	0	0	110	G396 K398 C439	G396-C427 VanDerWaalsContact C-SG 3.54Å; G396-C427 PolarHBondContact N-O 3.4Å; G396-C427 PolarHBondContact O-N 3.47Å; K398-C427 HydrophobicContact CG-CB 3.88Å; K398-C427 PolarHBondContact N-SG 2.63Å; K398-C427 VanDerWaalsContact N-SG 3.4Å; C427-C439 HydrophobicContact CB-CB 3.93Å; C427-C439 WeakPolarHBondContact CB-SG 3.45Å; C427-C439 PolarHBondContact O-SG 2.8Å; C427-C439 VanDerWaalsContact SG-CA 3.53Å; C427-C439 WeakPolarHBondContact SG-CB 3.34Å; C427-C439 CovalentContact SG-SG 2.03Å; C427-C439 PolarHBondContact SG-SG 2.83Å
428	D	70.3	Confident	65.9	Low	60 Å²	60	78.5 Å²	78.5	32%	0.321	43%	0.427	S	S	.	.			trans	-100.3	114	177	-178.6	-2.6	0	0	0	109.8	L430 Q431	D428-L430 PolarHBondContact O-N 3.39Å; D428-L430 WeakPolarHBondContact OD1-CB 3.34Å; D428-L430 PolarHBondContact OD1-N 2.95Å; D428-Q431 HydrophobicContact CB-CG 4.06Å; D428-Q431 PolarHBondContact O-N 3.37Å
429	P	65.6	Low	66.4	Low	27 Å²	27	75.8 Å²	75.8	18%	0.175	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-11.6	-179.6	30.7	-34.7	0	0	0	113.6	P394 Q431 C439	P394-P429 HydrophobicContact CB-CG 3.73Å; P394-P429 HydrophobicContact CG-CG 4.01Å; P394-P429 WeakPolarHBondContact O-CD 3.42Å; P429-Q431 VanDerWaalsContact C-N 3.34Å; P429-C439 HydrophobicContact CB-CB 4.26Å
430	L	67.1	Low	66.9	Low	132 Å²	132	73.4 Å²	73.4	69%	0.691	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-7.2	177	-64.9	173.7	0	0	0	113.3	P394 D428 N432	P394-L430 HydrophobicContact CG-CD1 3.46Å; P394-L430 VanDerWaalsContact CG-CD1 3.46Å; P394-L430 HydrophobicContact CG-CG 3.69Å; D428-L430 PolarHBondContact O-N 3.39Å; D428-L430 WeakPolarHBondContact OD1-CB 3.34Å; D428-L430 PolarHBondContact OD1-N 2.95Å; L430-N432 PolarHBondContact O-N 2.85Å
431	Q	70.5	Confident	67.3	Low	94 Å²	94	72.3 Å²	72.3	44%	0.439	39%	0.392	S	S	.	.			trans	-71.4	127.3	175.9	-72.9	-173.9	6.7	0	0	111.4	D428 P429 N433 G436	D428-Q431 HydrophobicContact CB-CG 4.06Å; D428-Q431 PolarHBondContact O-N 3.37Å; P429-Q431 VanDerWaalsContact C-N 3.34Å; Q431-N433 PolarHBondContact O-N 3.44Å; Q431-N433 VanDerWaalsContact O-N 3.08Å; Q431-N433 PolarHBondContact OE1-ND2 3.03Å; Q431-G436 WeakPolarHBondContact O-CA 3.41Å
432	N	70	Confident	67.7	Low	149 Å²	149	69 Å²	69	80%	0.797	38%	0.376	S	S	*	.			trans	-77.9	13	-179.9	-161.7	19.8	0	0	0	114.1	L430	L430-N432 PolarHBondContact O-N 2.85Å
433	N	77.1	Confident	68.2	Low	71 Å²	71	69.8 Å²	69.8	38%	0.38	38%	0.377	S	S	.	.	S	Bend	trans	-91.5	170.2	176.7	61.8	20.6	0	0	0	110.7	Q431 A435 G436 K437	Q431-N433 PolarHBondContact O-N 3.44Å; Q431-N433 VanDerWaalsContact O-N 3.08Å; Q431-N433 PolarHBondContact OE1-ND2 3.03Å; N433-A435 PolarHBondContact O-N 3.49Å; N433-A435 VanDerWaalsContact O-N 3.15Å; N433-A435 PolarHBondContact OD1-N 3.46Å; N433-G436 PolarHBondContact O-N 3.32Å; N433-G436 VanDerWaalsContact O-N 3.1Å; N433-G436 PolarHBondContact OD1-N 2.75Å; N433-K437 PolarHBondContact O-N 3.14Å
434	S	71.1	Confident	68.8	Low	105 Å²	105	68.7 Å²	68.7	73%	0.734	37%	0.37	S	S	*	.	H	α-helix	trans	-56.7	-31.7	178.5	-39.2	0	0	0	0	112.5	A438	S434-A438 WeakPolarHBondContact O-CB 3.23Å; S434-A438 PolarHBondContact O-N 3.33Å; S434-A438 VanDerWaalsContact O-N 3.07Å
435	A	65.6	Low	69.1	Low	38 Å²	38	62.8 Å²	62.8	31%	0.314	34%	0.341	S	S	.	.	H	α-helix	trans	-69.6	-38.6	178.1	0	0	0	0	0	112.8	N433 A438 C439	N433-A435 PolarHBondContact O-N 3.49Å; N433-A435 VanDerWaalsContact O-N 3.15Å; N433-A435 PolarHBondContact OD1-N 3.46Å; A435-A438 PolarHBondContact O-N 2.87Å; A435-C439 WeakPolarHBondContact O-CB 3.41Å; A435-C439 PolarHBondContact O-N 3.36Å
436	G	65.3	Low	69.4	Low	4 Å²	4	64.6 Å²	64.6	4%	0.041	35%	0.352	C	S	.	.	H	α-helix	trans	-72.7	-35.9	174.4	0	0	0	0	0	112.3	Q431 N433 A438 C439	Q431-G436 WeakPolarHBondContact O-CA 3.41Å; N433-G436 PolarHBondContact O-N 3.32Å; N433-G436 VanDerWaalsContact O-N 3.1Å; N433-G436 PolarHBondContact OD1-N 2.75Å; G436-A438 VanDerWaalsContact C-N 3.28Å; G436-A438 PolarHBondContact O-N 3Å; G436-C439 WeakPolarHBondContact O-CB 3.37Å; G436-C439 PolarHBondContact O-N 3.33Å
437	K	66.4	Low	69.9	Low	162 Å²	162	65.1 Å²	65.1	70%	0.704	34%	0.342	S	S	*	.	H	α-helix	trans	-64.1	-31.2	172.1	-69.4	-176.5	-178.5	179.8	0	113.4	N433 C439	N433-K437 PolarHBondContact O-N 3.14Å; K437-C439 VanDerWaalsContact C-N 3.29Å
438	A	66.5	Low	70.3	Confident	38 Å²	38	73.2 Å²	73.2	31%	0.314	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	0.7	172.9	0	0	0	0	0	113.2	I399 S434 A435 G436	I399-A438 PolarHBondContact N-O 3.38Å; S434-A438 WeakPolarHBondContact O-CB 3.23Å; S434-A438 PolarHBondContact O-N 3.33Å; S434-A438 VanDerWaalsContact O-N 3.07Å; A435-A438 PolarHBondContact O-N 2.87Å; G436-A438 VanDerWaalsContact C-N 3.28Å; G436-A438 PolarHBondContact O-N 3Å
439	C	70.4	Confident	71.1	Confident	14 Å²	14	74.4 Å²	74.4	10%	0.095	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	139.1	-177.6	-165.9	0	0	0	0	111.1	C427 P429 A435 G436 K437	C427-C439 HydrophobicContact CB-CB 3.93Å; C427-C439 WeakPolarHBondContact CB-SG 3.45Å; C427-C439 PolarHBondContact O-SG 2.8Å; C427-C439 VanDerWaalsContact SG-CA 3.53Å; C427-C439 WeakPolarHBondContact SG-CB 3.34Å; C427-C439 CovalentContact SG-SG 2.03Å; C427-C439 PolarHBondContact SG-SG 2.83Å; P429-C439 HydrophobicContact CB-CB 4.26Å; A435-C439 WeakPolarHBondContact O-CB 3.41Å; A435-C439 PolarHBondContact O-N 3.36Å; G436-C439 WeakPolarHBondContact O-CB 3.37Å; G436-C439 PolarHBondContact O-N 3.33Å; K437-C439 VanDerWaalsContact C-N 3.29Å
440	R	68.6	Low	72.1	Confident	32 Å²	32	73.5 Å²	73.5	12%	0.121	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	119.1	-178.4	-179.4	131	161.4	-90.5	-44.2	110.9	S64 T101 P102 G396 T397 I399 L442	S64-R440 PolarHBondContact OG-NE 2.98Å; T101-R440 PolarHBondContact O-NH2 3.44Å; P102-R440 VanDerWaalsContact CB-CZ 3.43Å; P102-R440 VanDerWaalsContact CD-NH1 3.27Å; P102-R440 VanDerWaalsContact CD-NH2 3.28Å; G396-R440 CarbonylContact C-O 3.54Å; G396-R440 VanDerWaalsContact C-O 3.3Å; G396-R440 WeakPolarHBondContact CA-O 3.3Å; T397-R440 PolarHBondContact N-O 3.04Å; T397-R440 PolarHBondContact O-N 3.46Å; I399-R440 HydrophobicContact CD1-CB 4.18Å; I399-R440 HydrophobicContact CG1-CB 4.06Å; R440-L442 PolarHBondContact O-N 3.35Å
441	F	69.8	Low	73	Confident	7 Å²	7	71.4 Å²	71.4	3%	0.031	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	132.4	179.2	175.8	-96.5	0	0	0	111.6	T62 N63 S64 P394 Y443 Y444	T62-F441 HydrophobicContact CG2-CD1 4.34Å; T62-F441 HydrophobicContact CG2-CE1 3.87Å; T62-F441 HydrophobicContact CG2-CZ 4.19Å; N63-F441 VanDerWaalsContact O-CD1 3.3Å; N63-F441 WeakPolarHBondContact O-CD1 3.04Å; S64-F441 VanDerWaalsContact O-CB 3.27Å; S64-F441 WeakPolarHBondContact O-CB 3.38Å; S64-F441 PolarHBondContact O-N 3.04Å; P394-F441 HydrophobicContact CB-CD2 3.55Å; P394-F441 HydrophobicContact CB-CE2 3.72Å; F441-Y443 WeakPolarHBondContact CE2-O 3.44Å; F441-Y443 VanDerWaalsContact CZ-C 3.42Å; F441-Y444 AromaticContact CE2-CD1 3.92Å; F441-Y444 HydrophobicContact CE2-CD1 3.92Å; F441-Y444 AromaticContact CE2-CD2 3.92Å; F441-Y444 HydrophobicContact CE2-CD2 3.92Å; F441-Y444 AromaticContact CE2-CE1 3.92Å; F441-Y444 HydrophobicContact CE2-CE1 3.92Å; F441-Y444 AromaticContact CE2-CE2 3.94Å; F441-Y444 HydrophobicContact CE2-CE2 3.94Å; F441-Y444 AromaticContact CE2-CG 3.9Å; F441-Y444 HydrophobicContact CE2-CG 3.9Å; F441-Y444 AromaticContact CE2-CZ 3.93Å; F441-Y444 HydrophobicContact CZ-CD1 4.37Å; F441-Y444 AromaticContact CZ-CD2 3.51Å; F441-Y444 HydrophobicContact CZ-CD2 3.51Å; F441-Y444 HydrophobicContact CZ-CE1 4.39Å; F441-Y444 AromaticContact CZ-CE2 3.55Å; F441-Y444 HydrophobicContact CZ-CE2 3.55Å; F441-Y444 AromaticContact CZ-CG 3.93Å; F441-Y444 HydrophobicContact CZ-CG 3.93Å
442	L	68.5	Low	74	Confident	41 Å²	41	74.8 Å²	74.8	22%	0.215	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	-58.1	175.7	-169.2	71	0	0	0	110	G98 P100 I395 T397 R440	G98-L442 VanDerWaalsContact CA-O 3.23Å; G98-L442 WeakPolarHBondContact CA-O 3.3Å; P100-L442 HydrophobicContact CB-CD1 4.15Å; I395-L442 PolarHBondContact O-N 3.36Å; T397-L442 HydrophobicContact CG2-CD2 4.28Å; R440-L442 PolarHBondContact O-N 3.35Å
443	Y	70.8	Confident	75.1	Confident	108 Å²	108	69.7 Å²	69.7	42%	0.424	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	166.6	178.3	68.3	-84.3	0	0	0	111	T97 I395 F441	T97-Y443 WeakPolarHBondContact O-CB 3.19Å; I395-Y443 WeakPolarHBondContact CA-O 3.39Å; I395-Y443 HydrophobicContact CB-CE1 4.48Å; I395-Y443 WeakPolarHBondContact CB-O 3.3Å; I395-Y443 HydrophobicContact CD1-CE2 3.89Å; I395-Y443 HydrophobicContact CG2-CE1 4.32Å; I395-Y443 PolarHBondContact N-O 2.96Å; I395-Y443 PolarHBondContact O-N 2.86Å; F441-Y443 WeakPolarHBondContact CE2-O 3.44Å; F441-Y443 VanDerWaalsContact CZ-C 3.42Å
444	Y	71.2	Confident	75.8	Confident	46 Å²	46	69.4 Å²	69.4	18%	0.18	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	118.2	171.3	-72.6	-75	0	0	0	110.6	R57 T62 G66 A392 D393 P394 F441	R57-Y444 HydrophobicContact CG-CE2 4.48Å; T62-Y444 HydrophobicContact CG2-CE2 4Å; G66-Y444 PolarHBondContact O-OH 3.39Å; A392-Y444 HydrophobicContact CB-CG 4.47Å; D393-Y444 CarbonylContact O-C 3.2Å; D393-Y444 WeakPolarHBondContact O-CA 3.48Å; P394-Y444 HydrophobicContact CB-CD1 4.16Å; P394-Y444 HydrophobicContact CB-CE1 3.94Å; F441-Y444 AromaticContact CE2-CD1 3.92Å; F441-Y444 HydrophobicContact CE2-CD1 3.92Å; F441-Y444 AromaticContact CE2-CD2 3.92Å; F441-Y444 HydrophobicContact CE2-CD2 3.92Å; F441-Y444 AromaticContact CE2-CE1 3.92Å; F441-Y444 HydrophobicContact CE2-CE1 3.92Å; F441-Y444 AromaticContact CE2-CE2 3.94Å; F441-Y444 HydrophobicContact CE2-CE2 3.94Å; F441-Y444 AromaticContact CE2-CG 3.9Å; F441-Y444 HydrophobicContact CE2-CG 3.9Å; F441-Y444 AromaticContact CE2-CZ 3.93Å; F441-Y444 HydrophobicContact CZ-CD1 4.37Å; F441-Y444 AromaticContact CZ-CD2 3.51Å; F441-Y444 HydrophobicContact CZ-CD2 3.51Å; F441-Y444 HydrophobicContact CZ-CE1 4.39Å; F441-Y444 AromaticContact CZ-CE2 3.55Å; F441-Y444 HydrophobicContact CZ-CE2 3.55Å; F441-Y444 AromaticContact CZ-CG 3.93Å; F441-Y444 HydrophobicContact CZ-CG 3.93Å
445	G	68.3	Low	76.8	Confident	10 Å²	10	67.3 Å²	67.3	10%	0.103	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	134.6	177.8	0	0	0	0	0	112.8	A392 D393	A392-G445 WeakPolarHBondContact CA-O 3.28Å; A392-G445 WeakPolarHBondContact CB-O 3.34Å; D393-G445 PolarHBondContact N-O 3.39Å; D393-G445 VanDerWaalsContact N-O 3.07Å; D393-G445 PolarHBondContact O-N 2.9Å
446	D	72	Confident	78.3	Confident	106 Å²	106	67.9 Å²	67.9	57%	0.567	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.5	136.6	178	-60.3	-36.7	0	0	0	111.1
447	R	79.5	Confident	79.7	Confident	103 Å²	103	67.7 Å²	67.7	39%	0.389	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-70.2	146.1	171.1	-68.6	-167.3	176.2	-175.7	8.3	110.7	D393 Y449 T450	D393-R447 VanDerWaalsContact CG-NE 3.31Å; D393-R447 IonicContact OD1-CZ 2.8Å; D393-R447 IonicContact OD1-NE 2.88Å; D393-R447 PolarHBondContact OD1-NE 3.45Å; D393-R447 IonicContact OD1-NH2 3.65Å; D393-R447 PolarHBondContact OD1-NH2 2.87Å; D393-R447 WeakPolarHBondContact OD2-CG 3.31Å; D393-R447 IonicContact OD2-CZ 3.42Å; D393-R447 IonicContact OD2-NE 2.82Å; D393-R447 PolarHBondContact OD2-NE 2.8Å; D393-R447 IonicContact OD2-NH2 3.58Å; R447-Y449 HydrophobicContact CB-CD1 3.98Å; R447-Y449 HydrophobicContact CB-CE1 3.71Å; R447-Y449 HydrophobicContact CG-CE1 4.2Å; R447-Y449 PolarHBondContact O-N 3.32Å; R447-T450 HydrophobicContact CB-CG2 4.17Å; R447-T450 PolarHBondContact O-N 3.06Å; R447-T450 PolarHBondContact O-OG1 3.17Å
448	K	82.1	Confident	81.1	Confident	191 Å²	191	62.4 Å²	62.4	83%	0.83	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-27.9	-178.3	-68.8	-175.6	-178.5	177.7	0	114.3	I451 Y452	K448-I451 WeakPolarHBondContact O-CG2 3.36Å; K448-Y452 WeakPolarHBondContact O-CE2 3.4Å
449	Y	86.7	Confident	82.5	Confident	84 Å²	84	61.5 Å²	61.5	33%	0.329	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-23.1	-179.3	67.3	-100.3	0	0	0	114	I391 R447 I451 Y452 L453	I391-Y449 WeakPolarHBondContact CG2-OH 3.48Å; R447-Y449 HydrophobicContact CB-CD1 3.98Å; R447-Y449 HydrophobicContact CB-CE1 3.71Å; R447-Y449 HydrophobicContact CG-CE1 4.2Å; R447-Y449 PolarHBondContact O-N 3.32Å; Y449-I451 PolarHBondContact O-N 3.38Å; Y449-Y452 PolarHBondContact O-N 3.43Å; Y449-Y452 VanDerWaalsContact O-N 3.1Å; Y449-L453 HydrophobicContact CD2-CD1 4.01Å; Y449-L453 HydrophobicContact CE2-CD1 4.3Å; Y449-L453 PolarHBondContact O-N 2.93Å
450	T	86.5	Confident	83.8	Confident	8 Å²	8	60.9 Å²	60.9	5%	0.049	27%	0.274	C	S	.	.	H	α-helix	trans	-67.1	-28.4	-176.4	58.9	0	0	0	0	111.2	I391 R447 Y452 L453 Q454	I391-T450 HydrophobicContact CB-CG2 4.23Å; I391-T450 HydrophobicContact CG2-CG2 4.34Å; R447-T450 HydrophobicContact CB-CG2 4.17Å; R447-T450 PolarHBondContact O-N 3.06Å; R447-T450 PolarHBondContact O-OG1 3.17Å; T450-Y452 VanDerWaalsContact C-N 3.35Å; T450-Y452 PolarHBondContact O-N 2.86Å; T450-L453 PolarHBondContact O-N 3.31Å; T450-Q454 WeakPolarHBondContact O-CB 3.32Å; T450-Q454 PolarHBondContact O-N 3.03Å
451	I	86.8	Confident	85.2	Confident	89 Å²	89	62 Å²	62	46%	0.456	28%	0.28	S	S	.	.	H	α-helix	trans	-62.1	-39.8	172.9	-165.8	61.9	0	0	0	112.3	K448 Y449 Q454 L455	K448-I451 WeakPolarHBondContact O-CG2 3.36Å; Y449-I451 PolarHBondContact O-N 3.38Å; I451-Q454 PolarHBondContact O-N 3.3Å; I451-L455 WeakPolarHBondContact O-CG 3.42Å; I451-L455 PolarHBondContact O-N 2.96Å
452	Y	91	Very high	86.5	Confident	165 Å²	165	63 Å²	63	65%	0.647	28%	0.284	S	S	*	.	H	α-helix	trans	-69.3	-39.4	178.1	-58.6	-65.9	0	0	0	110.9	K448 Y449 T450 Q454 L455 F456	K448-Y452 WeakPolarHBondContact O-CE2 3.4Å; Y449-Y452 PolarHBondContact O-N 3.43Å; Y449-Y452 VanDerWaalsContact O-N 3.1Å; T450-Y452 VanDerWaalsContact C-N 3.35Å; T450-Y452 PolarHBondContact O-N 2.86Å; Y452-Q454 VanDerWaalsContact C-N 3.3Å; Y452-Q454 PolarHBondContact O-N 3.45Å; Y452-L455 PolarHBondContact O-N 2.64Å; Y452-F456 PolarHBondContact O-N 2.93Å
453	L	93.5	Very high	87.9	Confident	41 Å²	41	61.2 Å²	61.2	22%	0.215	28%	0.275	C	S	.	.	H	α-helix	trans	-65	-35.2	173.4	-63.6	-179.2	0	0	0	111.9	V45 L388 Y449 T450 F456 N457	V45-L453 HydrophobicContact CG2-CD2 4.01Å; L388-L453 HydrophobicContact CD1-CB 3.72Å; L388-L453 HydrophobicContact CD2-CB 3.95Å; L388-L453 HydrophobicContact CD2-CD1 3.72Å; Y449-L453 HydrophobicContact CD2-CD1 4.01Å; Y449-L453 HydrophobicContact CE2-CD1 4.3Å; Y449-L453 PolarHBondContact O-N 2.93Å; T450-L453 PolarHBondContact O-N 3.31Å; L453-F456 PolarHBondContact O-N 3.45Å; L453-N457 WeakPolarHBondContact O-CB 3.26Å; L453-N457 PolarHBondContact O-N 2.91Å
454	Q	91.9	Very high	89.2	Confident	65 Å²	65	57.3 Å²	57.3	30%	0.304	26%	0.261	S	S	.	.	H	α-helix	trans	-68.1	-39.4	175	-167.8	64.2	20.8	0	0	111.8	A385 T450 I451 Y452 N457 L458	A385-Q454 VanDerWaalsContact CB-NE2 3.29Å; T450-Q454 WeakPolarHBondContact O-CB 3.32Å; T450-Q454 PolarHBondContact O-N 3.03Å; I451-Q454 PolarHBondContact O-N 3.3Å; Y452-Q454 VanDerWaalsContact C-N 3.3Å; Y452-Q454 PolarHBondContact O-N 3.45Å; Q454-N457 PolarHBondContact O-N 3.45Å; Q454-L458 WeakPolarHBondContact O-CB 3.49Å; Q454-L458 PolarHBondContact O-N 3.42Å
455	L	92.5	Very high	90.4	Very high	62 Å²	62	55.9 Å²	55.9	33%	0.325	26%	0.256	S	S	.	.	H	α-helix	trans	-64.9	-39.6	173.6	-71.9	173	0	0	0	111.8	I451 Y452 L458 F459 W525	I451-L455 WeakPolarHBondContact O-CG 3.42Å; I451-L455 PolarHBondContact O-N 2.96Å; Y452-L455 PolarHBondContact O-N 2.64Å; L455-L458 PolarHBondContact O-N 3.29Å; L455-F459 PolarHBondContact O-N 2.75Å; L455-W525 PolarHBondContact O-NE1 3.34Å
456	F	95.4	Very high	91.8	Very high	49 Å²	49	55.9 Å²	55.9	22%	0.215	25%	0.254	C	S	.	.	H	α-helix	trans	-64.3	-46.2	173.2	173.6	-105.4	0	0	0	111.9	F38 F42 V45 Y452 L453 L458 F459 M460	F38-F456 AromaticContact CD1-CE2 3.71Å; F38-F456 HydrophobicContact CD1-CE2 3.71Å; F38-F456 HydrophobicContact CE1-CE2 4.04Å; F42-F456 HydrophobicContact CB-CE1 4.2Å; F42-F456 HydrophobicContact CB-CZ 4.3Å; F42-F456 HydrophobicContact CD2-CE1 4.18Å; V45-F456 HydrophobicContact CB-CE1 4.48Å; V45-F456 HydrophobicContact CG2-CD1 4.11Å; V45-F456 HydrophobicContact CG2-CE1 3.98Å; Y452-F456 PolarHBondContact O-N 2.93Å; L453-F456 PolarHBondContact O-N 3.45Å; F456-L458 VanDerWaalsContact C-N 3.31Å; F456-L458 PolarHBondContact O-N 3.03Å; F456-F459 WeakPolarHBondContact O-CB 3.36Å; F456-F459 PolarHBondContact O-N 2.91Å; F456-F459 VanDerWaalsContact O-N 3.15Å; F456-M460 HydrophobicContact CD1-CG 4.43Å; F456-M460 HydrophobicContact CD2-CG 4.33Å; F456-M460 HydrophobicContact CE1-CG 3.98Å; F456-M460 HydrophobicContact CE2-CG 3.87Å; F456-M460 HydrophobicContact CE2-SD 4.12Å; F456-M460 HydrophobicContact CZ-CG 3.67Å; F456-M460 HydrophobicContact CZ-SD 4.12Å; F456-M460 WeakPolarHBondContact O-CG 3.28Å; F456-M460 PolarHBondContact O-N 3.46Å
457	N	95.6	Very high	93	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-57.4	-43.9	174.6	-178.2	32.6	0	0	0	111.6	F42 V381 V384 A385 L453 Q454 F459 M460 F461	F42-N457 VanDerWaalsContact CE2-OD1 3.29Å; F42-N457 WeakPolarHBondContact CE2-OD1 3.26Å; V381-N457 PolarHBondContact O-ND2 2.84Å; V384-N457 HydrophobicContact CG1-CB 4.13Å; A385-N457 PolarHBondContact N-ND2 3.04Å; L453-N457 WeakPolarHBondContact O-CB 3.26Å; L453-N457 PolarHBondContact O-N 2.91Å; Q454-N457 PolarHBondContact O-N 3.45Å; N457-F459 PolarHBondContact O-N 3.37Å; N457-M460 PolarHBondContact O-N 2.91Å; N457-F461 PolarHBondContact O-N 3.29Å
458	L	94.9	Very high	93.8	Very high	51 Å²	51	47.8 Å²	47.8	27%	0.267	22%	0.218	S	C	.	.	H	α-helix	trans	-63.8	-39.7	175.9	-178.3	63.9	0	0	0	112.4	Q454 L455 F456 F461 F462 V528	Q454-L458 WeakPolarHBondContact O-CB 3.49Å; Q454-L458 PolarHBondContact O-N 3.42Å; L455-L458 PolarHBondContact O-N 3.29Å; F456-L458 VanDerWaalsContact C-N 3.31Å; F456-L458 PolarHBondContact O-N 3.03Å; L458-F461 WeakPolarHBondContact O-CB 3.21Å; L458-F461 PolarHBondContact O-N 3.4Å; L458-F462 HydrophobicContact CD1-CD2 4.38Å; L458-F462 HydrophobicContact CD1-CE2 3.66Å; L458-F462 HydrophobicContact CD1-CZ 4.17Å; L458-F462 HydrophobicContact CD2-CE2 4.44Å; L458-F462 HydrophobicContact CG-CD2 4.32Å; L458-F462 HydrophobicContact CG-CE2 3.8Å; L458-F462 WeakPolarHBondContact O-CD2 3.22Å; L458-F462 PolarHBondContact O-N 3.23Å; L458-V528 HydrophobicContact CD2-CG1 4.14Å
459	F	96.9	Very high	94.4	Very high	19 Å²	19	43.2 Å²	43.2	8%	0.083	20%	0.198	C	C	.	.	H	α-helix	trans	-64	-45.5	174.6	177.3	-106.2	0	0	0	111.5	F38 L455 F456 N457 F461 F462 W463 F518 L522 W525	F38-F459 HydrophobicContact CD1-CD1 4.45Å; F38-F459 HydrophobicContact CD1-CE1 4.1Å; F38-F459 HydrophobicContact CE1-CD1 4.3Å; F38-F459 AromaticContact CE1-CE1 3.91Å; F38-F459 HydrophobicContact CE1-CE1 3.91Å; L455-F459 PolarHBondContact O-N 2.75Å; F456-F459 WeakPolarHBondContact O-CB 3.36Å; F456-F459 PolarHBondContact O-N 2.91Å; F456-F459 VanDerWaalsContact O-N 3.15Å; N457-F459 PolarHBondContact O-N 3.37Å; F459-F461 VanDerWaalsContact C-N 3.31Å; F459-F461 PolarHBondContact O-N 2.88Å; F459-F462 PolarHBondContact O-N 3.41Å; F459-W463 HydrophobicContact CD1-CE3 4.32Å; F459-W463 HydrophobicContact CE1-CD2 4.33Å; F459-W463 AromaticContact CE1-CE3 3.37Å; F459-W463 HydrophobicContact CE1-CE3 3.37Å; F459-W463 AromaticContact CE1-CZ3 3.76Å; F459-W463 HydrophobicContact CE1-CZ3 3.76Å; F459-W463 HydrophobicContact CZ-CD2 4.4Å; F459-W463 AromaticContact CZ-CE3 3.79Å; F459-W463 HydrophobicContact CZ-CE3 3.79Å; F459-W463 HydrophobicContact CZ-CZ3 4.19Å; F459-W463 PolarHBondContact O-N 2.9Å; F459-F518 HydrophobicContact CE2-CE2 4.49Å; F459-F518 AromaticContact CZ-CD2 3.86Å; F459-F518 HydrophobicContact CZ-CD2 3.86Å; F459-F518 AromaticContact CZ-CE2 3.71Å; F459-F518 HydrophobicContact CZ-CE2 3.71Å; F459-L522 HydrophobicContact CE2-CD1 4.46Å; F459-W525 HydrophobicContact CB-CG 4.19Å; F459-W525 HydrophobicContact CD2-CB 3.95Å; F459-W525 HydrophobicContact CD2-CD2 4.38Å; F459-W525 AromaticContact CD2-CG 3.91Å; F459-W525 HydrophobicContact CD2-CG 3.91Å
460	M	97.4	Very high	94.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-62.4	-36.2	177.2	-71.7	-53.9	-60.5	0	0	112.6	F38 V39 F42 F456 N457 F462 W463 L464	F38-M460 HydrophobicContact CB-CE 4.29Å; F38-M460 HydrophobicContact CB-SD 3.96Å; F38-M460 HydrophobicContact CD1-SD 3.91Å; F38-M460 HydrophobicContact CG-SD 4.44Å; V39-M460 HydrophobicContact CG2-CE 4.35Å; F42-M460 HydrophobicContact CB-CE 4.04Å; F42-M460 HydrophobicContact CB-CG 4.13Å; F42-M460 HydrophobicContact CD2-CB 3.83Å; F42-M460 HydrophobicContact CD2-CG 3.87Å; F42-M460 HydrophobicContact CE2-CB 4.16Å; F42-M460 HydrophobicContact CG-CB 4.23Å; F42-M460 HydrophobicContact CG-CE 4.41Å; F42-M460 HydrophobicContact CG-CG 4.14Å; F456-M460 HydrophobicContact CD1-CG 4.43Å; F456-M460 HydrophobicContact CD2-CG 4.33Å; F456-M460 HydrophobicContact CE1-CG 3.98Å; F456-M460 HydrophobicContact CE2-CG 3.87Å; F456-M460 HydrophobicContact CE2-SD 4.12Å; F456-M460 HydrophobicContact CZ-CG 3.67Å; F456-M460 HydrophobicContact CZ-SD 4.12Å; F456-M460 WeakPolarHBondContact O-CG 3.28Å; F456-M460 PolarHBondContact O-N 3.46Å; N457-M460 PolarHBondContact O-N 2.91Å; M460-F462 PolarHBondContact O-N 3.47Å; M460-W463 PolarHBondContact O-N 3.49Å; M460-W463 HydrophobicContact SD-CE3 4.17Å; M460-L464 HydrophobicContact CE-CD1 4.23Å; M460-L464 HydrophobicContact CE-CD2 4.27Å; M460-L464 HydrophobicContact CE-CG 4.09Å; M460-L464 WeakPolarHBondContact O-CB 3.25Å; M460-L464 VanDerWaalsContact O-CG 3.28Å; M460-L464 WeakPolarHBondContact O-CG 3.37Å; M460-L464 PolarHBondContact O-N 2.84Å
461	F	97.3	Very high	95.4	Very high	56 Å²	56	40 Å²	40	25%	0.246	19%	0.186	C	C	.	.	H	α-helix	trans	-54.4	-53.3	171.2	169.2	-108.3	0	0	0	112	V377 I378 V381 N457 L458 F459 W463 I465	V377-F461 HydrophobicContact CG1-CD2 4.4Å; I378-F461 HydrophobicContact CG1-CE2 3.98Å; V381-F461 HydrophobicContact CB-CB 4.37Å; V381-F461 HydrophobicContact CB-CD2 4.34Å; V381-F461 HydrophobicContact CG1-CB 3.87Å; V381-F461 HydrophobicContact CG1-CD2 4.21Å; V381-F461 HydrophobicContact CG1-CG 4.24Å; V381-F461 HydrophobicContact CG2-CB 3.71Å; V381-F461 HydrophobicContact CG2-CD2 4.08Å; V381-F461 HydrophobicContact CG2-CG 4.37Å; N457-F461 PolarHBondContact O-N 3.29Å; L458-F461 WeakPolarHBondContact O-CB 3.21Å; L458-F461 PolarHBondContact O-N 3.4Å; F459-F461 VanDerWaalsContact C-N 3.31Å; F459-F461 PolarHBondContact O-N 2.88Å; F461-W463 VanDerWaalsContact C-N 3.34Å; F461-W463 PolarHBondContact O-N 2.98Å; F461-I465 HydrophobicContact CD2-CG1 4.05Å; F461-I465 HydrophobicContact CE2-CD1 4.42Å; F461-I465 HydrophobicContact CE2-CG1 3.7Å; F461-I465 HydrophobicContact CZ-CG1 4.21Å; F461-I465 WeakPolarHBondContact O-CB 3.16Å; F461-I465 WeakPolarHBondContact O-CG1 3.31Å; F461-I465 PolarHBondContact O-N 3.15Å
462	F	97.3	Very high	95.8	Very high	27 Å²	27	36.9 Å²	36.9	12%	0.118	17%	0.171	C	C	.	.	H	α-helix	trans	-63.8	-41.5	179.2	-69.5	-59.3	0	0	0	111.4	L458 F459 M460 N466 A521 Q524 W525 V528	L458-F462 HydrophobicContact CD1-CD2 4.38Å; L458-F462 HydrophobicContact CD1-CE2 3.66Å; L458-F462 HydrophobicContact CD1-CZ 4.17Å; L458-F462 HydrophobicContact CD2-CE2 4.44Å; L458-F462 HydrophobicContact CG-CD2 4.32Å; L458-F462 HydrophobicContact CG-CE2 3.8Å; L458-F462 WeakPolarHBondContact O-CD2 3.22Å; L458-F462 PolarHBondContact O-N 3.23Å; F459-F462 PolarHBondContact O-N 3.41Å; M460-F462 PolarHBondContact O-N 3.47Å; F462-N466 WeakPolarHBondContact O-CB 3.31Å; F462-N466 PolarHBondContact O-N 2.93Å; F462-N466 VanDerWaalsContact O-N 3.09Å; F462-N466 PolarHBondContact O-ND2 3.1Å; F462-A521 HydrophobicContact CB-CB 3.88Å; F462-Q524 HydrophobicContact CB-CB 4.41Å; F462-Q524 HydrophobicContact CD1-CB 3.73Å; F462-Q524 HydrophobicContact CD1-CG 4.46Å; F462-Q524 VanDerWaalsContact CD1-OE1 3.29Å; F462-Q524 HydrophobicContact CD2-CB 4.3Å; F462-Q524 HydrophobicContact CE1-CB 4.04Å; F462-Q524 HydrophobicContact CG-CB 3.9Å; F462-Q524 HydrophobicContact CZ-CB 4.46Å; F462-W525 HydrophobicContact CD2-CB 4.08Å; F462-V528 HydrophobicContact CE2-CG2 4.26Å; F462-V528 HydrophobicContact CZ-CG2 3.83Å
463	W	98.1	Very high	96	Very high	5 Å²	5	31.6 Å²	31.6	2%	0.019	15%	0.153	C	C	.	.	H	α-helix	trans	-65.6	-49	-178.9	-160.2	-4.4	0	0	0	112	V34 F35 F38 F459 M460 F461 N466 F467 A514 S517 F518 A521	V34-W463 HydrophobicContact CG1-CH2 4.2Å; F35-W463 HydrophobicContact CB-CZ2 4.17Å; F35-W463 HydrophobicContact CD2-CD2 4.09Å; F35-W463 AromaticContact CD2-CE2 3.57Å; F35-W463 HydrophobicContact CD2-CH2 4.34Å; F35-W463 AromaticContact CD2-CZ2 3.71Å; F35-W463 HydrophobicContact CD2-CZ2 3.71Å; F35-W463 AromaticContact CD2-NE1 3.75Å; F35-W463 HydrophobicContact CE2-CD2 4.36Å; F35-W463 HydrophobicContact CE2-CG 4.41Å; F35-W463 AromaticContact CE2-NE1 4Å; F35-W463 HydrophobicContact CG-CZ2 4.44Å; F38-W463 HydrophobicContact CB-CE3 4.33Å; F38-W463 HydrophobicContact CB-CH2 4.45Å; F38-W463 HydrophobicContact CB-CZ3 3.75Å; F38-W463 HydrophobicContact CD1-CE3 4.2Å; F38-W463 AromaticContact CD1-CZ3 3.64Å; F38-W463 HydrophobicContact CD1-CZ3 3.64Å; F38-W463 HydrophobicContact CD2-CH2 4.37Å; F38-W463 AromaticContact CD2-CZ3 3.96Å; F38-W463 HydrophobicContact CD2-CZ3 3.96Å; F38-W463 HydrophobicContact CE1-CZ3 4.19Å; F38-W463 HydrophobicContact CE2-CZ3 4.46Å; F38-W463 HydrophobicContact CG-CE3 4.33Å; F38-W463 HydrophobicContact CG-CH2 4.29Å; F38-W463 AromaticContact CG-CZ3 3.51Å; F38-W463 HydrophobicContact CG-CZ3 3.51Å; F459-W463 HydrophobicContact CD1-CE3 4.32Å; F459-W463 HydrophobicContact CE1-CD2 4.33Å; F459-W463 AromaticContact CE1-CE3 3.37Å; F459-W463 HydrophobicContact CE1-CE3 3.37Å; F459-W463 AromaticContact CE1-CZ3 3.76Å; F459-W463 HydrophobicContact CE1-CZ3 3.76Å; F459-W463 HydrophobicContact CZ-CD2 4.4Å; F459-W463 AromaticContact CZ-CE3 3.79Å; F459-W463 HydrophobicContact CZ-CE3 3.79Å; F459-W463 HydrophobicContact CZ-CZ3 4.19Å; F459-W463 PolarHBondContact O-N 2.9Å; M460-W463 PolarHBondContact O-N 3.49Å; M460-W463 HydrophobicContact SD-CE3 4.17Å; F461-W463 VanDerWaalsContact C-N 3.34Å; F461-W463 PolarHBondContact O-N 2.98Å; W463-N466 PolarHBondContact O-N 3.4Å; W463-F467 VanDerWaalsContact O-CB 3.3Å; W463-F467 WeakPolarHBondContact O-CB 3.44Å; W463-F467 PolarHBondContact O-N 3.42Å; W463-A514 PolarHBondContact NE1-O 2.97Å; W463-A514 VanDerWaalsContact NE1-O 3.16Å; W463-S517 PolarHBondContact NE1-OG 2.89Å; W463-F518 HydrophobicContact CD2-CD2 4.25Å; W463-F518 AromaticContact CE2-CD2 3.95Å; W463-F518 HydrophobicContact CE3-CD2 4.3Å; W463-F518 AromaticContact CH2-CD2 3.76Å; W463-F518 HydrophobicContact CH2-CD2 3.76Å; W463-F518 HydrophobicContact CH2-CE2 4.44Å; W463-F518 HydrophobicContact CZ2-CB 3.72Å; W463-F518 AromaticContact CZ2-CD2 3.72Å; W463-F518 HydrophobicContact CZ2-CD2 3.72Å; W463-F518 HydrophobicContact CZ2-CG 4.09Å; W463-F518 HydrophobicContact CZ3-CD2 4.05Å; W463-A521 VanDerWaalsContact CA-CB 3.47Å; W463-A521 HydrophobicContact CB-CB 3.91Å; W463-A521 HydrophobicContact CG-CB 4.32Å
464	L	97.8	Very high	96.1	Very high	26 Å²	26	29.7 Å²	29.7	14%	0.136	14%	0.143	C	C	.	.	H	α-helix	trans	-66.1	-42.3	-178.4	-67.1	175.2	0	0	0	112.4	F35 V39 F42 V377 M460 N466 F467 V468	F35-L464 HydrophobicContact CE2-CD2 4.16Å; F35-L464 HydrophobicContact CZ-CD2 4Å; V39-L464 HydrophobicContact CG2-CD2 4.22Å; F42-L464 HydrophobicContact CD1-CD1 4.2Å; F42-L464 HydrophobicContact CE1-CD1 4.18Å; V377-L464 HydrophobicContact CB-CB 4.48Å; V377-L464 HydrophobicContact CG1-CB 3.7Å; V377-L464 HydrophobicContact CG1-CD1 4.32Å; V377-L464 HydrophobicContact CG2-CB 3.86Å; V377-L464 HydrophobicContact CG2-CD1 4.44Å; M460-L464 HydrophobicContact CE-CD1 4.23Å; M460-L464 HydrophobicContact CE-CD2 4.27Å; M460-L464 HydrophobicContact CE-CG 4.09Å; M460-L464 WeakPolarHBondContact O-CB 3.25Å; M460-L464 VanDerWaalsContact O-CG 3.28Å; M460-L464 WeakPolarHBondContact O-CG 3.37Å; M460-L464 PolarHBondContact O-N 2.84Å; L464-N466 PolarHBondContact O-N 3.46Å; L464-F467 WeakPolarHBondContact O-CB 3.32Å; L464-F467 PolarHBondContact O-N 3.48Å; L464-V468 WeakPolarHBondContact O-CG2 3.48Å; L464-V468 PolarHBondContact O-N 2.89Å
465	I	96.6	Very high	96.3	Very high	16 Å²	16	26.6 Å²	26.6	8%	0.082	13%	0.128	C	C	.	.	H	α-helix	trans	-62.2	-45.5	175.5	-73.8	-64.2	0	0	0	111.3	E374 V377 I378 F461 F467 V468 K469	E374-I465 HydrophobicContact CB-CD1 3.75Å; E374-I465 HydrophobicContact CG-CD1 3.72Å; V377-I465 HydrophobicContact CB-CD1 4.13Å; V377-I465 HydrophobicContact CG1-CD1 4.01Å; V377-I465 HydrophobicContact CG1-CG1 3.93Å; I378-I465 HydrophobicContact CG1-CD1 4.45Å; F461-I465 HydrophobicContact CD2-CG1 4.05Å; F461-I465 HydrophobicContact CE2-CD1 4.42Å; F461-I465 HydrophobicContact CE2-CG1 3.7Å; F461-I465 HydrophobicContact CZ-CG1 4.21Å; F461-I465 WeakPolarHBondContact O-CB 3.16Å; F461-I465 WeakPolarHBondContact O-CG1 3.31Å; F461-I465 PolarHBondContact O-N 3.15Å; I465-F467 VanDerWaalsContact C-N 3.27Å; I465-F467 PolarHBondContact O-N 2.97Å; I465-V468 PolarHBondContact O-N 3.46Å; I465-K469 HydrophobicContact CG2-CD 4.24Å; I465-K469 WeakPolarHBondContact O-CG 3.41Å; I465-K469 PolarHBondContact O-N 3.36Å
466	N	97.3	Very high	96.5	Very high	9 Å²	9	23.9 Å²	23.9	5%	0.048	11%	0.114	C	C	.	.	H	α-helix	trans	-68.7	-28.7	177.7	-72.7	-65.9	0	0	0	112.1	F462 W463 L464 S470 S517 I520 Q524	F462-N466 WeakPolarHBondContact O-CB 3.31Å; F462-N466 PolarHBondContact O-N 2.93Å; F462-N466 VanDerWaalsContact O-N 3.09Å; F462-N466 PolarHBondContact O-ND2 3.1Å; W463-N466 PolarHBondContact O-N 3.4Å; L464-N466 PolarHBondContact O-N 3.46Å; N466-S470 WeakPolarHBondContact O-CB 3.41Å; N466-S470 PolarHBondContact O-N 2.91Å; N466-S470 PolarHBondContact O-OG 3.46Å; N466-S517 VanDerWaalsContact C-CB 3.45Å; N466-I520 WeakPolarHBondContact OD1-CG2 3.27Å; N466-Q524 PolarHBondContact ND2-OE1 3.01Å
467	F	97.7	Very high	96.6	Very high	28 Å²	28	21.5 Å²	21.5	12%	0.123	10%	0.103	C	C	.	.	H	α-helix	trans	-65.6	-48.3	174.2	-176.8	-88.7	0	0	0	110.8	F35 W463 L464 I465 K469 S470 L471 T510 L513 A514	F35-F467 HydrophobicContact CD1-CE2 4.23Å; F35-F467 AromaticContact CE1-CD2 3.97Å; F35-F467 HydrophobicContact CE1-CD2 3.97Å; F35-F467 HydrophobicContact CE1-CE1 4.29Å; F35-F467 AromaticContact CE1-CE2 3.72Å; F35-F467 HydrophobicContact CE1-CE2 3.72Å; F35-F467 HydrophobicContact CE1-CG 4.37Å; F35-F467 AromaticContact CE1-CZ 3.9Å; F35-F467 HydrophobicContact CE1-CZ 3.9Å; F35-F467 HydrophobicContact CE2-CB 4.45Å; F35-F467 AromaticContact CE2-CD2 3.97Å; F35-F467 HydrophobicContact CE2-CD2 3.97Å; F35-F467 HydrophobicContact CE2-CE2 4.5Å; F35-F467 HydrophobicContact CE2-CG 4.22Å; F35-F467 HydrophobicContact CZ-CB 4.31Å; F35-F467 HydrophobicContact CZ-CD1 4.06Å; F35-F467 AromaticContact CZ-CD2 3.61Å; F35-F467 HydrophobicContact CZ-CD2 3.61Å; F35-F467 HydrophobicContact CZ-CE1 4.3Å; F35-F467 AromaticContact CZ-CE2 3.87Å; F35-F467 HydrophobicContact CZ-CE2 3.87Å; F35-F467 AromaticContact CZ-CG 3.72Å; F35-F467 HydrophobicContact CZ-CG 3.72Å; F35-F467 HydrophobicContact CZ-CZ 4.21Å; W463-F467 VanDerWaalsContact O-CB 3.3Å; W463-F467 WeakPolarHBondContact O-CB 3.44Å; W463-F467 PolarHBondContact O-N 3.42Å; L464-F467 WeakPolarHBondContact O-CB 3.32Å; L464-F467 PolarHBondContact O-N 3.48Å; I465-F467 VanDerWaalsContact C-N 3.27Å; I465-F467 PolarHBondContact O-N 2.97Å; F467-K469 VanDerWaalsContact C-N 3.31Å; F467-K469 PolarHBondContact O-N 3.31Å; F467-S470 PolarHBondContact O-N 3.43Å; F467-L471 WeakPolarHBondContact O-CB 3.37Å; F467-L471 PolarHBondContact O-N 2.85Å; F467-T510 HydrophobicContact CE2-CG2 4.17Å; F467-T510 HydrophobicContact CZ-CG2 4.05Å; F467-L513 HydrophobicContact CD2-CB 4.26Å; F467-L513 HydrophobicContact CE2-CB 3.8Å; F467-L513 HydrophobicContact CZ-CB 4.39Å; F467-A514 HydrophobicContact CD2-CB 4.42Å; F467-A514 HydrophobicContact CE2-CB 4.24Å
468	V	96.8	Very high	96.5	Very high	12 Å²	12	21.5 Å²	21.5	7%	0.073	10%	0.104	C	C	.	.	H	α-helix	trans	-59.2	-42.9	175.6	176.7	0	0	0	0	111	P370 L373 E374 L464 I465 L471 T472	P370-V468 HydrophobicContact CB-CG1 3.74Å; L373-V468 HydrophobicContact CB-CG1 3.87Å; L373-V468 HydrophobicContact CB-CG2 4.01Å; L373-V468 HydrophobicContact CD1-CG1 4.35Å; E374-V468 HydrophobicContact CG-CB 4.31Å; E374-V468 HydrophobicContact CG-CG1 3.9Å; L464-V468 WeakPolarHBondContact O-CG2 3.48Å; L464-V468 PolarHBondContact O-N 2.89Å; I465-V468 PolarHBondContact O-N 3.46Å; V468-L471 PolarHBondContact O-N 3.01Å; V468-T472 WeakPolarHBondContact O-CB 3.48Å; V468-T472 PolarHBondContact O-N 3.46Å; V468-T472 PolarHBondContact O-OG1 3.47Å
469	K	95.4	Very high	96.5	Very high	94 Å²	94	19.1 Å²	19.1	41%	0.409	9%	0.091	S	C	.	.	H	α-helix	trans	-61.7	-44.1	174.9	-72.1	178.3	-179.6	178.7	0	112.8	E374 I465 F467 T472 Q473	E374-K469 WeakPolarHBondContact OE1-CE 3.44Å; E374-K469 WeakPolarHBondContact OE1-CG 3.36Å; I465-K469 HydrophobicContact CG2-CD 4.24Å; I465-K469 WeakPolarHBondContact O-CG 3.41Å; I465-K469 PolarHBondContact O-N 3.36Å; F467-K469 VanDerWaalsContact C-N 3.31Å; F467-K469 PolarHBondContact O-N 3.31Å; K469-T472 WeakPolarHBondContact O-CB 3.28Å; K469-T472 PolarHBondContact O-N 2.92Å; K469-Q473 WeakPolarHBondContact O-CG 3.24Å; K469-Q473 PolarHBondContact O-N 2.94Å
470	S	96.4	Very high	96.4	Very high	3 Å²	3	18.2 Å²	18.2	2%	0.021	9%	0.087	C	C	.	.	H	α-helix	trans	-63	-44.9	177.7	-58	0	0	0	0	111.1	N466 F467 T472 Q473 M474 L513 F571	N466-S470 WeakPolarHBondContact O-CB 3.41Å; N466-S470 PolarHBondContact O-N 2.91Å; N466-S470 PolarHBondContact O-OG 3.46Å; F467-S470 PolarHBondContact O-N 3.43Å; S470-T472 VanDerWaalsContact C-N 3.3Å; S470-T472 PolarHBondContact O-N 3.37Å; S470-Q473 PolarHBondContact O-N 3.25Å; S470-M474 WeakPolarHBondContact O-CB 3.39Å; S470-M474 PolarHBondContact O-N 2.93Å; S470-L513 WeakPolarHBondContact O-CD2 3.25Å; S470-F571 VanDerWaalsContact CB-CE2 3.4Å; S470-F571 VanDerWaalsContact OG-CE2 3.31Å; S470-F571 WeakPolarHBondContact OG-CE2 3.21Å
471	L	96.6	Very high	96.2	Very high	21 Å²	21	18.2 Å²	18.2	11%	0.11	9%	0.087	C	C	.	.	H	α-helix	trans	-59	-43.4	176.2	179.3	65	0	0	0	111.2	F467 V468 T475 L502 L513	F467-L471 WeakPolarHBondContact O-CB 3.37Å; F467-L471 PolarHBondContact O-N 2.85Å; V468-L471 PolarHBondContact O-N 3.01Å; L471-T475 VanDerWaalsContact O-CB 3.31Å; L471-T475 WeakPolarHBondContact O-CB 3.34Å; L471-T475 PolarHBondContact O-N 2.96Å; L471-T475 PolarHBondContact O-OG1 2.98Å; L471-L502 HydrophobicContact CD1-CD1 4.04Å; L471-L502 HydrophobicContact CD2-CD1 4.35Å; L471-L502 HydrophobicContact CG-CD1 4.27Å; L471-L513 HydrophobicContact CB-CD1 4.26Å; L471-L513 HydrophobicContact CD1-CD1 3.71Å
472	T	95.2	Very high	95.9	Very high	25 Å²	25	16.2 Å²	16.2	15%	0.153	8%	0.079	C	C	.	.	H	α-helix	trans	-60.1	-51.7	177.3	-58	0	0	0	0	111.5	W366 P370 V468 K469 S470 M474 T475 L476	W366-T472 PolarHBondContact NE1-O 2.96Å; P370-T472 HydrophobicContact CB-CG2 4.32Å; P370-T472 WeakPolarHBondContact CB-OG1 3.43Å; P370-T472 HydrophobicContact CG-CG2 3.94Å; V468-T472 WeakPolarHBondContact O-CB 3.48Å; V468-T472 PolarHBondContact O-N 3.46Å; V468-T472 PolarHBondContact O-OG1 3.47Å; K469-T472 WeakPolarHBondContact O-CB 3.28Å; K469-T472 PolarHBondContact O-N 2.92Å; S470-T472 VanDerWaalsContact C-N 3.3Å; S470-T472 PolarHBondContact O-N 3.37Å; T472-M474 PolarHBondContact O-N 2.84Å; T472-T475 PolarHBondContact O-N 3.39Å; T472-L476 HydrophobicContact CG2-CD1 4.38Å; T472-L476 WeakPolarHBondContact O-CG 3.22Å; T472-L476 PolarHBondContact O-N 3.3Å; T472-L476 VanDerWaalsContact O-N 3.08Å
473	Q	95.9	Very high	95.6	Very high	54 Å²	54	17.6 Å²	17.6	25%	0.252	8%	0.083	S	C	.	.	H	α-helix	trans	-61.9	-44.5	-179	-73.6	176.5	-14.8	0	0	111.5	K469 S470 L476 A477 M675	K469-Q473 WeakPolarHBondContact O-CG 3.24Å; K469-Q473 PolarHBondContact O-N 2.94Å; S470-Q473 PolarHBondContact O-N 3.25Å; Q473-L476 PolarHBondContact O-N 2.79Å; Q473-A477 WeakPolarHBondContact O-CB 3.48Å; Q473-A477 PolarHBondContact O-N 3.05Å; Q473-M675 HydrophobicContact CB-SD 3.93Å; Q473-M675 HydrophobicContact CG-SD 3.92Å
474	M	96	Very high	95.4	Very high	1 Å²	1	18 Å²	18	1%	0.005	9%	0.085	C	C	.	.	H	α-helix	trans	-71.1	-34.7	-178	-155.9	167.8	94.3	0	0	112.8	S470 T472 A477 G478 S505 H509 L513 F571 V574 A575	S470-M474 WeakPolarHBondContact O-CB 3.39Å; S470-M474 PolarHBondContact O-N 2.93Å; T472-M474 PolarHBondContact O-N 2.84Å; M474-A477 PolarHBondContact O-N 3.27Å; M474-G478 PolarHBondContact O-N 3.45Å; M474-S505 WeakPolarHBondContact CE-OG 3.47Å; M474-H509 HydrophobicContact CE-CB 3.17Å; M474-H509 HydrophobicContact SD-CB 4.38Å; M474-L513 HydrophobicContact CB-CD2 3.92Å; M474-L513 HydrophobicContact CE-CD1 4.45Å; M474-L513 HydrophobicContact CE-CD2 4.28Å; M474-L513 HydrophobicContact CE-CG 4.33Å; M474-L513 HydrophobicContact SD-CD2 3.82Å; M474-L513 HydrophobicContact SD-CG 4.38Å; M474-F571 HydrophobicContact CB-CB 4.16Å; M474-F571 HydrophobicContact CG-CB 4.09Å; M474-F571 HydrophobicContact SD-CB 4.29Å; M474-F571 HydrophobicContact SD-CD1 3.99Å; M474-F571 HydrophobicContact SD-CG 4.47Å; M474-V574 HydrophobicContact CE-CG1 4.15Å; M474-V574 HydrophobicContact SD-CB 4Å; M474-V574 HydrophobicContact SD-CG1 3.69Å; M474-A575 HydrophobicContact CG-CB 3.93Å
475	T	96.1	Very high	94.9	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-63.9	-45.4	174.5	-59.3	0	0	0	0	111.2	W366 L471 T472 T479 L498 S501 L502	W366-T475 HydrophobicContact CD2-CG2 4.47Å; W366-T475 HydrophobicContact CH2-CG2 3.71Å; W366-T475 HydrophobicContact CZ2-CG2 3.48Å; W366-T475 VanDerWaalsContact CZ2-CG2 3.48Å; W366-T475 HydrophobicContact CZ3-CG2 4.26Å; L471-T475 VanDerWaalsContact O-CB 3.31Å; L471-T475 WeakPolarHBondContact O-CB 3.34Å; L471-T475 PolarHBondContact O-N 2.96Å; L471-T475 PolarHBondContact O-OG1 2.98Å; T472-T475 PolarHBondContact O-N 3.39Å; T475-T479 PolarHBondContact O-N 3.46Å; T475-T479 PolarHBondContact O-OG1 3.05Å; T475-L498 HydrophobicContact CG2-CD1 3.94Å; T475-S501 WeakPolarHBondContact O-CB 3.36Å; T475-S501 PolarHBondContact O-OG 2.99Å; T475-L502 HydrophobicContact CG2-CB 3.84Å
476	L	96	Very high	94.3	Very high	4 Å²	4	17.4 Å²	17.4	2%	0.021	8%	0.083	C	C	.	.	H	α-helix	trans	-63.9	-44.7	174.6	-70.8	177.1	0	0	0	111.2	V363 W366 T472 Q473 G478 T479 F480 L498 V672 M675	V363-L476 HydrophobicContact CG1-CD2 3.51Å; W366-L476 HydrophobicContact CB-CD2 4.3Å; W366-L476 VanDerWaalsContact CD1-CD2 3.47Å; W366-L476 HydrophobicContact CG-CD2 3.98Å; W366-L476 HydrophobicContact CG-CG 4.45Å; T472-L476 HydrophobicContact CG2-CD1 4.38Å; T472-L476 WeakPolarHBondContact O-CG 3.22Å; T472-L476 PolarHBondContact O-N 3.3Å; T472-L476 VanDerWaalsContact O-N 3.08Å; Q473-L476 PolarHBondContact O-N 2.79Å; L476-G478 PolarHBondContact O-N 3.34Å; L476-T479 WeakPolarHBondContact O-CB 3.34Å; L476-T479 PolarHBondContact O-N 2.99Å; L476-T479 VanDerWaalsContact O-N 3.15Å; L476-F480 HydrophobicContact CB-CD2 4.41Å; L476-F480 HydrophobicContact CB-CE2 4.42Å; L476-F480 HydrophobicContact CD2-CE2 4.4Å; L476-F480 WeakPolarHBondContact O-CD2 3.19Å; L476-F480 PolarHBondContact O-N 3.34Å; L476-L498 HydrophobicContact CD2-CD1 4.35Å; L476-V672 HydrophobicContact CD1-CG2 4.43Å; L476-V672 HydrophobicContact CD2-CG1 4.27Å; L476-M675 HydrophobicContact CB-CB 4.31Å; L476-M675 HydrophobicContact CB-CG 3.64Å; L476-M675 HydrophobicContact CD1-CB 3.87Å; L476-M675 HydrophobicContact CD1-CG 3.91Å; L476-M675 HydrophobicContact CG-CG 4.44Å
477	A	96.4	Very high	93.1	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-57.8	-46.6	178.6	0	0	0	0	0	112.4	Q473 M474 T479 F480 A481 I572 A575 M675 T679	Q473-A477 WeakPolarHBondContact O-CB 3.48Å; Q473-A477 PolarHBondContact O-N 3.05Å; M474-A477 PolarHBondContact O-N 3.27Å; A477-T479 VanDerWaalsContact C-N 3.27Å; A477-T479 PolarHBondContact O-N 2.85Å; A477-F480 PolarHBondContact O-N 3.39Å; A477-A481 WeakPolarHBondContact O-CB 3.21Å; A477-A481 PolarHBondContact O-N 3.48Å; A477-I572 HydrophobicContact CB-CB 4.27Å; A477-I572 HydrophobicContact CB-CG1 3.87Å; A477-I572 HydrophobicContact CB-CG2 4.47Å; A477-A575 HydrophobicContact CB-CB 3.71Å; A477-M675 HydrophobicContact CB-CE 3.93Å; A477-T679 WeakPolarHBondContact CA-OG1 3.47Å; A477-T679 HydrophobicContact CB-CG2 4.38Å; A477-T679 VanDerWaalsContact O-CG2 3.29Å; A477-T679 WeakPolarHBondContact O-CG2 3.31Å
478	G	94.5	Very high	91.7	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.01	12%	0.117	C	C	.	.	H	α-helix	trans	-63.7	-36.9	178.8	0	0	0	0	0	112.1	M474 L476 E482 S501	M474-G478 PolarHBondContact O-N 3.45Å; L476-G478 PolarHBondContact O-N 3.34Å; G478-E482 WeakPolarHBondContact O-CB 3.4Å; G478-E482 PolarHBondContact O-N 2.79Å; G478-S501 VanDerWaalsContact CA-OG 3.3Å; G478-S501 WeakPolarHBondContact CA-OG 3.38Å
479	T	94.5	Very high	90.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-65	-50.2	177.2	-53.4	0	0	0	0	112.2	M360 V363 T475 L476 A477 E482 Y483 P497 L498	M360-T479 HydrophobicContact CE-CG2 4.19Å; M360-T479 HydrophobicContact SD-CG2 3.6Å; V363-T479 HydrophobicContact CG2-CG2 3.68Å; T475-T479 PolarHBondContact O-N 3.46Å; T475-T479 PolarHBondContact O-OG1 3.05Å; L476-T479 WeakPolarHBondContact O-CB 3.34Å; L476-T479 PolarHBondContact O-N 2.99Å; L476-T479 VanDerWaalsContact O-N 3.15Å; A477-T479 VanDerWaalsContact C-N 3.27Å; A477-T479 PolarHBondContact O-N 2.85Å; T479-E482 PolarHBondContact O-N 3.35Å; T479-Y483 PolarHBondContact O-N 3.26Å; T479-Y483 VanDerWaalsContact O-N 3.11Å; T479-P497 HydrophobicContact CG2-CB 4.13Å; T479-P497 HydrophobicContact CG2-CG 4.2Å; T479-L498 HydrophobicContact CG2-CB 4.42Å; T479-L498 WeakPolarHBondContact OG1-CA 3.3Å
480	F	94.9	Very high	88.8	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-69.4	-35.5	179.1	-75.7	-69.7	0	0	0	112.7	A356 V357 M360 V363 L476 A477 Y483 Y484 G676 T679 I680	A356-F480 HydrophobicContact CB-CD1 3.81Å; A356-F480 HydrophobicContact CB-CE1 3.86Å; V357-F480 HydrophobicContact CG2-CE1 3.72Å; V357-F480 HydrophobicContact CG2-CZ 3.68Å; M360-F480 HydrophobicContact CE-CD1 3.88Å; M360-F480 HydrophobicContact CE-CE1 4.12Å; V363-F480 HydrophobicContact CG1-CE2 4.01Å; V363-F480 HydrophobicContact CG1-CZ 3.85Å; L476-F480 HydrophobicContact CB-CD2 4.41Å; L476-F480 HydrophobicContact CB-CE2 4.42Å; L476-F480 HydrophobicContact CD2-CE2 4.4Å; L476-F480 WeakPolarHBondContact O-CD2 3.19Å; L476-F480 PolarHBondContact O-N 3.34Å; A477-F480 PolarHBondContact O-N 3.39Å; F480-Y483 PolarHBondContact O-N 3.35Å; F480-Y484 PolarHBondContact O-N 2.81Å; F480-G676 VanDerWaalsContact CD2-CA 3.43Å; F480-T679 HydrophobicContact CB-CG2 3.6Å; F480-I680 HydrophobicContact CB-CD1 4.36Å
481	A	93.9	Very high	87	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-63.6	-43.2	173.8	0	0	0	0	0	111.5	P20 A477 Y483 Y484 F485 I576 T679	P20-A481 HydrophobicContact CG-CB 3.99Å; A477-A481 WeakPolarHBondContact O-CB 3.21Å; A477-A481 PolarHBondContact O-N 3.48Å; A481-Y483 VanDerWaalsContact C-N 3.33Å; A481-Y483 PolarHBondContact O-N 2.8Å; A481-Y484 PolarHBondContact O-N 2.78Å; A481-F485 VanDerWaalsContact O-CD2 3.24Å; A481-F485 WeakPolarHBondContact O-CD2 3.41Å; A481-F485 PolarHBondContact O-N 3.08Å; A481-F485 VanDerWaalsContact O-N 3.13Å; A481-I576 HydrophobicContact CB-CG1 3.77Å; A481-T679 HydrophobicContact CB-CG2 4.21Å
482	E	91.2	Very high	85.3	Confident	15 Å²	15	41.7 Å²	41.7	7%	0.07	20%	0.204	C	C	.	.	H	α-helix	trans	-60.7	-42.5	175.7	-170	169.7	163.4	0	0	111.7	P20 G478 T479 S486 T493 S494	P20-E482 HydrophobicContact CG-CB 4.03Å; G478-E482 WeakPolarHBondContact O-CB 3.4Å; G478-E482 PolarHBondContact O-N 2.79Å; T479-E482 PolarHBondContact O-N 3.35Å; E482-S486 VanDerWaalsContact O-CB 3.24Å; E482-S486 WeakPolarHBondContact O-CB 3.41Å; E482-S486 PolarHBondContact O-N 3.46Å; E482-S486 VanDerWaalsContact O-N 3.09Å; E482-S486 PolarHBondContact O-OG 3.46Å; E482-T493 HydrophobicContact CG-CG2 4.37Å; E482-S494 WeakPolarHBondContact OE1-CB 3.48Å; E482-S494 PolarHBondContact OE1-N 3.07Å; E482-S494 PolarHBondContact OE1-OG 2.69Å
483	Y	91.4	Very high	83.9	Confident	55 Å²	55	43 Å²	43	22%	0.216	21%	0.212	C	C	.	.	H	α-helix	trans	-60.7	-47.9	173.9	174.7	-90.3	0	0	0	112.5	A356 A359 M360 T479 F480 A481 F485 S486 S487 I680	A356-Y483 HydrophobicContact CB-CD1 3.38Å; A356-Y483 HydrophobicContact CB-CD2 4.36Å; A356-Y483 HydrophobicContact CB-CE1 3.36Å; A356-Y483 HydrophobicContact CB-CE2 4.35Å; A356-Y483 HydrophobicContact CB-CG 3.91Å; A359-Y483 HydrophobicContact CB-CD2 4.41Å; A359-Y483 HydrophobicContact CB-CE2 3.75Å; M360-Y483 VanDerWaalsContact CE-CB 3.44Å; M360-Y483 HydrophobicContact CE-CD2 3.97Å; M360-Y483 HydrophobicContact CE-CG 3.74Å; M360-Y483 HydrophobicContact SD-CD2 4.25Å; M360-Y483 HydrophobicContact SD-CG 4.35Å; T479-Y483 PolarHBondContact O-N 3.26Å; T479-Y483 VanDerWaalsContact O-N 3.11Å; F480-Y483 PolarHBondContact O-N 3.35Å; A481-Y483 VanDerWaalsContact C-N 3.33Å; A481-Y483 PolarHBondContact O-N 2.8Å; Y483-F485 PolarHBondContact O-N 3.28Å; Y483-S486 PolarHBondContact O-N 3.25Å; Y483-S486 PolarHBondContact O-OG 3.44Å; Y483-S487 PolarHBondContact O-N 2.93Å; Y483-I680 HydrophobicContact CD1-CD1 4.47Å
484	Y	92.1	Very high	82.8	Confident	13 Å²	13	42.1 Å²	42.1	5%	0.051	21%	0.212	C	C	.	.	H	α-helix	trans	-58.9	-50.1	-176.8	-176.8	-89.1	0	0	0	112	F480 A481 S486 S487 I680 C683 F684 D687 M701	F480-Y484 PolarHBondContact O-N 2.81Å; A481-Y484 PolarHBondContact O-N 2.78Å; Y484-S486 VanDerWaalsContact C-N 3.35Å; Y484-S486 PolarHBondContact O-N 2.93Å; Y484-S487 WeakPolarHBondContact O-CB 3.43Å; Y484-S487 PolarHBondContact O-N 3.04Å; Y484-S487 PolarHBondContact O-OG 3.37Å; Y484-I680 HydrophobicContact CD2-CD1 3.93Å; Y484-I680 HydrophobicContact CD2-CG2 4.04Å; Y484-I680 HydrophobicContact CE2-CG2 4.28Å; Y484-I680 HydrophobicContact CG-CD1 4.37Å; Y484-C683 HydrophobicContact CD1-CB 3.57Å; Y484-C683 HydrophobicContact CD2-CB 4.18Å; Y484-C683 HydrophobicContact CE1-CB 3.94Å; Y484-C683 HydrophobicContact CE2-CB 4.47Å; Y484-C683 HydrophobicContact CG-CB 3.71Å; Y484-F684 HydrophobicContact CE2-CB 4.37Å; Y484-F684 WeakPolarHBondContact OH-CA 3.47Å; Y484-D687 HydrophobicContact CE1-CB 4.07Å; Y484-D687 PolarHBondContact OH-OD2 3.2Å; Y484-M701 VanDerWaalsContact OH-CA 3.31Å; Y484-M701 WeakPolarHBondContact OH-CA 3.29Å; Y484-M701 WeakPolarHBondContact OH-CB 3.32Å; Y484-M701 PolarHBondContact OH-N 3.2Å
485	F	88.5	Confident	81.8	Confident	17 Å²	17	52.2 Å²	52.2	8%	0.075	26%	0.256	C	S	.	.	H	α-helix	trans	-81.5	-11.3	-176	-68.4	-70	0	0	0	113.9	G19 A481 Y483 I576 C683 Y700	G19-F485 VanDerWaalsContact CA-CG 3.46Å; A481-F485 VanDerWaalsContact O-CD2 3.24Å; A481-F485 WeakPolarHBondContact O-CD2 3.41Å; A481-F485 PolarHBondContact O-N 3.08Å; A481-F485 VanDerWaalsContact O-N 3.13Å; Y483-F485 PolarHBondContact O-N 3.28Å; F485-I576 HydrophobicContact CE2-CG2 4.27Å; F485-C683 HydrophobicContact CE2-CB 3.89Å; F485-C683 HydrophobicContact CZ-CB 4Å; F485-Y700 HydrophobicContact CD1-CD1 4.36Å; F485-Y700 AromaticContact CD1-CD2 3.97Å; F485-Y700 HydrophobicContact CD1-CD2 3.97Å; F485-Y700 HydrophobicContact CD1-CE2 4.44Å; F485-Y700 AromaticContact CD1-CG 3.93Å; F485-Y700 HydrophobicContact CD1-CG 3.93Å; F485-Y700 HydrophobicContact CE1-CD2 4.37Å; F485-Y700 VanDerWaalsContact O-CD1 3.29Å; F485-Y700 WeakPolarHBondContact O-CD1 3.22Å; F485-Y700 WeakPolarHBondContact O-CE1 3.36Å
486	S	83.6	Confident	81.3	Confident	14 Å²	14	55.3 Å²	55.3	10%	0.098	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	3.8	173.3	62.3	0	0	0	0	114	E482 Y483 Y484 Q488 D489 T493	E482-S486 VanDerWaalsContact O-CB 3.24Å; E482-S486 WeakPolarHBondContact O-CB 3.41Å; E482-S486 PolarHBondContact O-N 3.46Å; E482-S486 VanDerWaalsContact O-N 3.09Å; E482-S486 PolarHBondContact O-OG 3.46Å; Y483-S486 PolarHBondContact O-N 3.25Å; Y483-S486 PolarHBondContact O-OG 3.44Å; Y484-S486 VanDerWaalsContact C-N 3.35Å; Y484-S486 PolarHBondContact O-N 2.93Å; S486-Q488 PolarHBondContact O-N 3.43Å; S486-Q488 VanDerWaalsContact O-N 3.13Å; S486-D489 CarbonylContact O-C 3.43Å; S486-D489 PolarHBondContact O-N 3.29Å; S486-T493 WeakPolarHBondContact CB-OG1 3.42Å; S486-T493 PolarHBondContact OG-OG1 3.1Å
487	S	71.5	Confident	80.9	Confident	60 Å²	60	55.9 Å²	55.9	42%	0.42	28%	0.281	S	S	.	.	S	Bend	trans	-57.6	-31.1	-174.6	73.6	0	0	0	0	114.3	Y483 Y484 Y700	Y483-S487 PolarHBondContact O-N 2.93Å; Y484-S487 WeakPolarHBondContact O-CB 3.43Å; Y484-S487 PolarHBondContact O-N 3.04Å; Y484-S487 PolarHBondContact O-OG 3.37Å; S487-Y700 PolarHBondContact OG-O 3.01Å; S487-Y700 VanDerWaalsContact OG-O 3.04Å
488	Q	68.6	Low	80.7	Confident	100 Å²	100	56.6 Å²	56.6	47%	0.467	29%	0.285	S	S	.	.	S	Bend	trans	-95.2	-23.3	-179.3	-64.1	-171	12.3	0	0	114	S486 Y699	S486-Q488 PolarHBondContact O-N 3.43Å; S486-Q488 VanDerWaalsContact O-N 3.13Å; Q488-Y699 PolarHBondContact NE2-O 3.05Å
489	D	68.3	Low	80.6	Confident	97 Å²	97	62 Å²	62	52%	0.519	31%	0.312	S	S	.	.			trans	-133.8	84.8	179.4	-166.9	-2.8	0	0	0	111.4	S486 K491 S492	S486-D489 CarbonylContact O-C 3.43Å; S486-D489 PolarHBondContact O-N 3.29Å; D489-K491 PolarHBondContact O-N 3.26Å; D489-K491 VanDerWaalsContact O-N 3.09Å; D489-K491 PolarHBondContact OD1-N 2.91Å; D489-S492 PolarHBondContact O-N 3.08Å; D489-S492 VanDerWaalsContact O-N 3.12Å
490	K	62.9	Low	80.4	Confident	180 Å²	180	64.4 Å²	64.4	78%	0.783	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-62.4	-14.3	-178.5	-65	-173.4	179.7	-179	0	113.8	S492 T493	K490-S492 PolarHBondContact O-N 3.31Å; K490-T493 PolarHBondContact O-OG1 3.31Å
491	K	58.5	Low	80.3	Confident	199 Å²	199	64.5 Å²	64.5	87%	0.865	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-73.7	-16.7	176.6	-70.5	-174	179	180	0	112.5	D489	D489-K491 PolarHBondContact O-N 3.26Å; D489-K491 VanDerWaalsContact O-N 3.09Å; D489-K491 PolarHBondContact OD1-N 2.91Å
492	S	60.8	Low	80.4	Confident	40 Å²	40	66.4 Å²	66.4	28%	0.28	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-86.9	-6.5	-177.8	-162.8	0	0	0	0	114	R22 D489 K490	R22-S492 PolarHBondContact NH2-O 3.18Å; R22-S492 PolarHBondContact NH2-OG 3.07Å; D489-S492 PolarHBondContact O-N 3.08Å; D489-S492 VanDerWaalsContact O-N 3.12Å; K490-S492 PolarHBondContact O-N 3.31Å
493	T	66.9	Low	80.5	Confident	53 Å²	53	71 Å²	71	33%	0.325	36%	0.357	S	S	.	.	S	Bend	trans	-82.9	137.2	-173	-34.4	0	0	0	0	112.3	E482 S486 K490	E482-T493 HydrophobicContact CG-CG2 4.37Å; S486-T493 WeakPolarHBondContact CB-OG1 3.42Å; S486-T493 PolarHBondContact OG-OG1 3.1Å; K490-T493 PolarHBondContact O-OG1 3.31Å
494	S	71.4	Confident	80.5	Confident	36 Å²	36	69.7 Å²	69.7	25%	0.252	35%	0.352	S	S	.	.			trans	-64.1	144.1	172.9	-52	0	0	0	0	110.7	E482 C496	E482-S494 WeakPolarHBondContact OE1-CB 3.48Å; E482-S494 PolarHBondContact OE1-N 3.07Å; E482-S494 PolarHBondContact OE1-OG 2.69Å; S494-C496 PolarHBondContact O-N 3.15Å
495	K	75.6	Confident	80.6	Confident	213 Å²	213	69.2 Å²	69.2	93%	0.926	35%	0.35	S	S	*	.	S	Bend	trans	-58.3	-32.7	179.6	-69.8	-175.3	178.7	-179.8	0	113.2
496	C	85.5	Confident	80.8	Confident	65 Å²	65	71 Å²	71	44%	0.439	36%	0.363	S	S	.	.	S	Bend	trans	-135.1	80.2	178.2	-63.1	0	0	0	0	110.1	S494 L498 I499 T500	S494-C496 PolarHBondContact O-N 3.15Å; C496-L498 PolarHBondContact O-N 3.46Å; C496-I499 HydrophobicContact CB-CB 4.26Å; C496-I499 HydrophobicContact CB-CD1 4.24Å; C496-I499 HydrophobicContact CB-CG1 4.4Å; C496-I499 PolarHBondContact O-N 3.42Å; C496-T500 PolarHBondContact O-N 2.63Å; C496-T500 PolarHBondContact O-OG1 2.9Å
497	P	88.2	Confident	81.3	Confident	15 Å²	15	76.3 Å²	76.3	10%	0.097	39%	0.385	C	S	.	.	H	α-helix	trans	-61.3	-31.7	-170.5	25.5	-34.6	0	0	0	112.6	M360 T479 S501	M360-P497 HydrophobicContact CG-CG 4.34Å; M360-P497 HydrophobicContact SD-CG 3.9Å; T479-P497 HydrophobicContact CG2-CB 4.13Å; T479-P497 HydrophobicContact CG2-CG 4.2Å; P497-S501 VanDerWaalsContact O-CB 3.26Å; P497-S501 WeakPolarHBondContact O-CB 3.09Å; P497-S501 PolarHBondContact O-N 3.16Å
498	L	92.4	Very high	82.3	Confident	16 Å²	16	77.4 Å²	77.4	8%	0.084	38%	0.38	C	S	.	.	H	α-helix	trans	-62.9	-49.6	176.5	-173.3	73.3	0	0	0	112.8	V363 W366 T475 L476 T479 C496 S501 L502	V363-L498 HydrophobicContact CG2-CD1 4.23Å; W366-L498 HydrophobicContact CB-CD1 4.4Å; W366-L498 HydrophobicContact CB-CD2 4.31Å; W366-L498 HydrophobicContact CD2-CD1 3.97Å; W366-L498 HydrophobicContact CD2-CD2 4.37Å; W366-L498 HydrophobicContact CD2-CG 4.48Å; W366-L498 HydrophobicContact CE3-CD1 4.01Å; W366-L498 HydrophobicContact CE3-CD2 3.79Å; W366-L498 HydrophobicContact CE3-CG 4.01Å; W366-L498 HydrophobicContact CG-CD1 4.15Å; W366-L498 HydrophobicContact CZ3-CG 4.48Å; T475-L498 HydrophobicContact CG2-CD1 3.94Å; L476-L498 HydrophobicContact CD2-CD1 4.35Å; T479-L498 HydrophobicContact CG2-CB 4.42Å; T479-L498 WeakPolarHBondContact OG1-CA 3.3Å; C496-L498 PolarHBondContact O-N 3.46Å; L498-S501 PolarHBondContact O-N 3.15Å; L498-L502 WeakPolarHBondContact O-CB 3.47Å; L498-L502 PolarHBondContact O-N 3.25Å
499	I	91.7	Very high	83.6	Confident	115 Å²	115	72.7 Å²	72.7	59%	0.59	36%	0.358	S	S	*	.	H	α-helix	trans	-68.2	-41.9	-179.6	-62.2	176.5	0	0	0	109.9	C496 S501 L502 F503	C496-I499 HydrophobicContact CB-CB 4.26Å; C496-I499 HydrophobicContact CB-CD1 4.24Å; C496-I499 HydrophobicContact CB-CG1 4.4Å; C496-I499 PolarHBondContact O-N 3.42Å; I499-S501 VanDerWaalsContact C-N 3.3Å; I499-S501 PolarHBondContact O-N 3Å; I499-L502 PolarHBondContact O-N 3.46Å; I499-F503 WeakPolarHBondContact O-CB 3.44Å; I499-F503 PolarHBondContact O-N 3.17Å
500	T	90	Very high	84.9	Confident	49 Å²	49	69.3 Å²	69.3	30%	0.301	34%	0.341	S	S	.	.	H	α-helix	trans	-60.2	-42.1	175.2	-58.4	0	0	0	0	111.3	C496 R504	C496-T500 PolarHBondContact O-N 2.63Å; C496-T500 PolarHBondContact O-OG1 2.9Å; T500-R504 WeakPolarHBondContact O-CD 3.45Å; T500-R504 VanDerWaalsContact O-CG 3.29Å; T500-R504 WeakPolarHBondContact O-CG 3.43Å; T500-R504 PolarHBondContact O-N 2.99Å
501	S	93.7	Very high	86.5	Confident	3 Å²	3	60.9 Å²	60.9	2%	0.021	31%	0.305	C	S	.	.	H	α-helix	trans	-66.4	-42.8	176.1	-167.9	0	0	0	0	112	T475 G478 P497 L498 I499 F503 R504 S505	T475-S501 WeakPolarHBondContact O-CB 3.36Å; T475-S501 PolarHBondContact O-OG 2.99Å; G478-S501 VanDerWaalsContact CA-OG 3.3Å; G478-S501 WeakPolarHBondContact CA-OG 3.38Å; P497-S501 VanDerWaalsContact O-CB 3.26Å; P497-S501 WeakPolarHBondContact O-CB 3.09Å; P497-S501 PolarHBondContact O-N 3.16Å; L498-S501 PolarHBondContact O-N 3.15Å; I499-S501 VanDerWaalsContact C-N 3.3Å; I499-S501 PolarHBondContact O-N 3Å; S501-F503 PolarHBondContact O-N 3.39Å; S501-R504 PolarHBondContact O-N 3.04Å; S501-S505 WeakPolarHBondContact O-CB 3.37Å; S501-S505 PolarHBondContact O-N 3.38Å; S501-S505 PolarHBondContact O-OG 3.34Å
502	L	94.8	Very high	88.3	Confident	40 Å²	40	51.4 Å²	51.4	21%	0.209	26%	0.264	C	S	.	.	H	α-helix	trans	-58.1	-50.3	176.7	175.4	56.8	0	0	0	110.8	W366 L369 L471 T475 L498 I499 R504 S505 T506	W366-L502 HydrophobicContact CH2-CB 4.27Å; W366-L502 HydrophobicContact CH2-CD1 3.67Å; W366-L502 HydrophobicContact CH2-CD2 3.77Å; W366-L502 HydrophobicContact CH2-CG 4.09Å; W366-L502 HydrophobicContact CZ2-CD1 4.37Å; W366-L502 HydrophobicContact CZ3-CD2 3.94Å; L369-L502 HydrophobicContact CD2-CD2 4.27Å; L471-L502 HydrophobicContact CD1-CD1 4.04Å; L471-L502 HydrophobicContact CD2-CD1 4.35Å; L471-L502 HydrophobicContact CG-CD1 4.27Å; T475-L502 HydrophobicContact CG2-CB 3.84Å; L498-L502 WeakPolarHBondContact O-CB 3.47Å; L498-L502 PolarHBondContact O-N 3.25Å; I499-L502 PolarHBondContact O-N 3.46Å; L502-R504 VanDerWaalsContact C-N 3.29Å; L502-R504 PolarHBondContact O-N 3.48Å; L502-S505 PolarHBondContact O-N 3.32Å; L502-S505 VanDerWaalsContact O-N 3.15Å; L502-T506 PolarHBondContact O-N 3.43Å; L502-T506 PolarHBondContact O-OG1 3.43Å
503	F	93.5	Very high	90.1	Very high	111 Å²	111	49.5 Å²	49.5	49%	0.487	25%	0.25	S	S	.	.	H	α-helix	trans	-57.3	-45.4	178	-172.8	-88.8	0	0	0	111	I499 S501 S505 T506 F507 Y508	I499-F503 WeakPolarHBondContact O-CB 3.44Å; I499-F503 PolarHBondContact O-N 3.17Å; S501-F503 PolarHBondContact O-N 3.39Å; F503-S505 PolarHBondContact O-N 2.78Å; F503-T506 PolarHBondContact O-N 2.91Å; F503-F507 AromaticContact CD1-CD2 3.96Å; F503-F507 HydrophobicContact CD1-CD2 3.96Å; F503-F507 AromaticContact CD2-CD2 3.43Å; F503-F507 HydrophobicContact CD2-CD2 3.43Å; F503-F507 VanDerWaalsContact CD2-CD2 3.43Å; F503-F507 AromaticContact CD2-CE2 3.37Å; F503-F507 HydrophobicContact CD2-CE2 3.37Å; F503-F507 HydrophobicContact CD2-CZ 4.49Å; F503-F507 HydrophobicContact CE1-CB 4.36Å; F503-F507 AromaticContact CE1-CD2 3.85Å; F503-F507 HydrophobicContact CE1-CD2 3.85Å; F503-F507 HydrophobicContact CE1-CG 4.23Å; F503-F507 AromaticContact CE2-CD2 3.31Å; F503-F507 HydrophobicContact CE2-CD2 3.31Å; F503-F507 AromaticContact CE2-CE2 3.14Å; F503-F507 HydrophobicContact CE2-CE2 3.14Å; F503-F507 HydrophobicContact CE2-CG 4.2Å; F503-F507 AromaticContact CE2-CZ 3.92Å; F503-F507 HydrophobicContact CE2-CZ 3.92Å; F503-F507 AromaticContact CG-CD2 3.76Å; F503-F507 HydrophobicContact CG-CD2 3.76Å; F503-F507 HydrophobicContact CG-CE2 4.17Å; F503-F507 AromaticContact CZ-CD2 3.52Å; F503-F507 HydrophobicContact CZ-CD2 3.52Å; F503-F507 AromaticContact CZ-CE2 3.78Å; F503-F507 HydrophobicContact CZ-CE2 3.78Å; F503-F507 AromaticContact CZ-CG 4Å; F503-F507 HydrophobicContact CZ-CG 4Å; F503-F507 HydrophobicContact CZ-CZ 4.43Å; F503-F507 WeakPolarHBondContact O-CB 3.43Å; F503-F507 WeakPolarHBondContact O-CD2 3.37Å; F503-F507 PolarHBondContact O-N 2.96Å; F503-Y508 HydrophobicContact CE1-CE2 4.49Å
504	R	91.9	Very high	91.5	Very high	27 Å²	27	47 Å²	47	10%	0.102	24%	0.235	C	C	.	.	H	α-helix	trans	-62.2	-43.1	177.5	-72.4	165.3	74.5	-166.4	19.8	112.3	P20 V21 R24 T500 S501 L502 Y508 H509	P20-R504 VanDerWaalsContact CB-NH2 3.34Å; P20-R504 PolarHBondContact O-NH2 3.24Å; V21-R504 PolarHBondContact O-NH2 3.21Å; R24-R504 VanDerWaalsContact CZ-NH2 3.3Å; T500-R504 WeakPolarHBondContact O-CD 3.45Å; T500-R504 VanDerWaalsContact O-CG 3.29Å; T500-R504 WeakPolarHBondContact O-CG 3.43Å; T500-R504 PolarHBondContact O-N 2.99Å; S501-R504 PolarHBondContact O-N 3.04Å; L502-R504 VanDerWaalsContact C-N 3.29Å; L502-R504 PolarHBondContact O-N 3.48Å; R504-Y508 WeakPolarHBondContact O-CB 3.35Å; R504-Y508 PolarHBondContact O-N 3.48Å; R504-Y508 VanDerWaalsContact O-N 3.12Å; R504-H509 PolarHBondContact O-CD2 2.96Å
505	S	94.5	Very high	92.8	Very high	3 Å²	3	47.6 Å²	47.6	2%	0.021	23%	0.233	C	C	.	.	H	α-helix	trans	-62.2	-45.8	177.8	-61.4	0	0	0	0	112	M474 S501 L502 F503 H509 T510	M474-S505 WeakPolarHBondContact CE-OG 3.47Å; S501-S505 WeakPolarHBondContact O-CB 3.37Å; S501-S505 PolarHBondContact O-N 3.38Å; S501-S505 PolarHBondContact O-OG 3.34Å; L502-S505 PolarHBondContact O-N 3.32Å; L502-S505 VanDerWaalsContact O-N 3.15Å; F503-S505 PolarHBondContact O-N 2.78Å; S505-H509 CarbonylContact O-C 3.54Å; S505-H509 PolarHBondContact O-N 3.03Å; S505-T510 PolarHBondContact O-N 3.22Å
506	T	93.4	Very high	93.7	Very high	55 Å²	55	37.5 Å²	37.5	34%	0.337	19%	0.189	S	C	.	.	H	α-helix	trans	-72	-44.7	-177.9	-56.7	0	0	0	0	112.6	L502 F503 T510	L502-T506 PolarHBondContact O-N 3.43Å; L502-T506 PolarHBondContact O-OG1 3.43Å; F503-T506 PolarHBondContact O-N 2.91Å; T506-T510 PolarHBondContact O-OG1 3.28Å
507	F	92.5	Very high	94.3	Very high	126 Å²	126	34.4 Å²	34.4	55%	0.553	17%	0.168	S	C	*	.	H	α-helix	trans	-86.8	-33.2	-171.8	-75.1	-80.6	0	0	0	114.2	F503	F503-F507 AromaticContact CD1-CD2 3.96Å; F503-F507 HydrophobicContact CD1-CD2 3.96Å; F503-F507 AromaticContact CD2-CD2 3.43Å; F503-F507 HydrophobicContact CD2-CD2 3.43Å; F503-F507 VanDerWaalsContact CD2-CD2 3.43Å; F503-F507 AromaticContact CD2-CE2 3.37Å; F503-F507 HydrophobicContact CD2-CE2 3.37Å; F503-F507 HydrophobicContact CD2-CZ 4.49Å; F503-F507 HydrophobicContact CE1-CB 4.36Å; F503-F507 AromaticContact CE1-CD2 3.85Å; F503-F507 HydrophobicContact CE1-CD2 3.85Å; F503-F507 HydrophobicContact CE1-CG 4.23Å; F503-F507 AromaticContact CE2-CD2 3.31Å; F503-F507 HydrophobicContact CE2-CD2 3.31Å; F503-F507 AromaticContact CE2-CE2 3.14Å; F503-F507 HydrophobicContact CE2-CE2 3.14Å; F503-F507 HydrophobicContact CE2-CG 4.2Å; F503-F507 AromaticContact CE2-CZ 3.92Å; F503-F507 HydrophobicContact CE2-CZ 3.92Å; F503-F507 AromaticContact CG-CD2 3.76Å; F503-F507 HydrophobicContact CG-CD2 3.76Å; F503-F507 HydrophobicContact CG-CE2 4.17Å; F503-F507 AromaticContact CZ-CD2 3.52Å; F503-F507 HydrophobicContact CZ-CD2 3.52Å; F503-F507 AromaticContact CZ-CE2 3.78Å; F503-F507 HydrophobicContact CZ-CE2 3.78Å; F503-F507 AromaticContact CZ-CG 4Å; F503-F507 HydrophobicContact CZ-CG 4Å; F503-F507 HydrophobicContact CZ-CZ 4.43Å; F503-F507 WeakPolarHBondContact O-CB 3.43Å; F503-F507 WeakPolarHBondContact O-CD2 3.37Å; F503-F507 PolarHBondContact O-N 2.96Å
508	Y	93.1	Very high	94.7	Very high	83 Å²	83	36.5 Å²	36.5	33%	0.325	18%	0.176	S	C	.	.	H	α-helix	trans	-103.7	-19.9	-176.4	-60.7	-79.3	0	0	0	113.7	R24 C26 T27 F503 R504	R24-Y508 HydrophobicContact CB-CD1 4.09Å; R24-Y508 HydrophobicContact CB-CD2 4.37Å; R24-Y508 HydrophobicContact CB-CG 3.97Å; R24-Y508 WeakPolarHBondContact O-CE1 3.35Å; C26-Y508 CarbonylContact C-O 3.55Å; C26-Y508 VanDerWaalsContact CA-O 3.26Å; C26-Y508 WeakPolarHBondContact CA-O 3.45Å; T27-Y508 PolarHBondContact N-O 2.82Å; T27-Y508 PolarHBondContact OG1-O 3.05Å; F503-Y508 HydrophobicContact CE1-CE2 4.49Å; R504-Y508 WeakPolarHBondContact O-CB 3.35Å; R504-Y508 PolarHBondContact O-N 3.48Å; R504-Y508 VanDerWaalsContact O-N 3.12Å
509	H	95.7	Very high	94.9	Very high	1 Å²	1	38 Å²	38	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-130	15.1	-167.5	-60.2	-57	0	0	0	114.6	R24 T27 M474 R504 S505 G511 S512 L513 V574	R24-H509 WeakPolarHBondContact CD-NE2 3.34Å; R24-H509 PolarHBondContact NH1-NE2 3.21Å; T27-H509 WeakPolarHBondContact CG2-ND1 3.34Å; T27-H509 PolarHBondContact OG1-ND1 3.29Å; M474-H509 HydrophobicContact CE-CB 3.17Å; M474-H509 HydrophobicContact SD-CB 4.38Å; R504-H509 PolarHBondContact O-CD2 2.96Å; S505-H509 CarbonylContact O-C 3.54Å; S505-H509 PolarHBondContact O-N 3.03Å; H509-G511 PolarHBondContact O-N 3.25Å; H509-S512 PolarHBondContact O-N 3.46Å; H509-S512 VanDerWaalsContact O-N 3.11Å; H509-L513 WeakPolarHBondContact O-CG 3.14Å; H509-L513 PolarHBondContact O-N 2.93Å; H509-V574 HydrophobicContact CB-CG1 4.42Å
510	T	96	Very high	95.1	Very high	26 Å²	26	32.8 Å²	32.8	16%	0.16	16%	0.157	C	C	.	.	H	α-helix	trans	-55.2	-35.9	173.7	-75.3	0	0	0	0	112	F35 F467 S505 T506 L513 A514	F35-T510 HydrophobicContact CD1-CG2 4.45Å; F467-T510 HydrophobicContact CE2-CG2 4.17Å; F467-T510 HydrophobicContact CZ-CG2 4.05Å; S505-T510 PolarHBondContact O-N 3.22Å; T506-T510 PolarHBondContact O-OG1 3.28Å; T510-L513 PolarHBondContact O-N 2.83Å; T510-A514 WeakPolarHBondContact O-CB 3.25Å; T510-A514 PolarHBondContact O-N 3.32Å
511	G	96.1	Very high	95.4	Very high	2 Å²	2	30.5 Å²	30.5	2%	0.021	14%	0.143	C	C	.	.	H	α-helix	trans	-61.3	-46.7	175.2	0	0	0	0	0	113.3	T27 D28 H509 A514 F515	T27-G511 WeakPolarHBondContact O-CA 3.48Å; D28-G511 WeakPolarHBondContact O-CA 3.38Å; H509-G511 PolarHBondContact O-N 3.25Å; G511-A514 PolarHBondContact O-N 3.38Å; G511-F515 WeakPolarHBondContact O-CB 3.36Å; G511-F515 PolarHBondContact O-N 2.85Å
512	S	97.3	Very high	95.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-65.2	-42.5	178	-56.6	0	0	0	0	111.7	T27 D28 H509 F515 G516	T27-S512 VanDerWaalsContact CB-OG 3.3Å; T27-S512 WeakPolarHBondContact CB-OG 3.01Å; T27-S512 PolarHBondContact OG1-OG 2.67Å; D28-S512 WeakPolarHBondContact OD2-CA 3.49Å; D28-S512 VanDerWaalsContact OD2-CB 3.31Å; D28-S512 WeakPolarHBondContact OD2-CB 3.23Å; D28-S512 PolarHBondContact OD2-OG 3.1Å; H509-S512 PolarHBondContact O-N 3.46Å; H509-S512 VanDerWaalsContact O-N 3.11Å; S512-F515 PolarHBondContact O-N 2.99Å; S512-G516 PolarHBondContact O-N 3.14Å
513	L	97.4	Very high	95.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.3	-44.7	175.7	-66.6	175.1	0	0	0	111.1	F467 S470 L471 M474 H509 T510 S517 F571	F467-L513 HydrophobicContact CD2-CB 4.26Å; F467-L513 HydrophobicContact CE2-CB 3.8Å; F467-L513 HydrophobicContact CZ-CB 4.39Å; S470-L513 WeakPolarHBondContact O-CD2 3.25Å; L471-L513 HydrophobicContact CB-CD1 4.26Å; L471-L513 HydrophobicContact CD1-CD1 3.71Å; M474-L513 HydrophobicContact CB-CD2 3.92Å; M474-L513 HydrophobicContact CE-CD1 4.45Å; M474-L513 HydrophobicContact CE-CD2 4.28Å; M474-L513 HydrophobicContact CE-CG 4.33Å; M474-L513 HydrophobicContact SD-CD2 3.82Å; M474-L513 HydrophobicContact SD-CG 4.38Å; H509-L513 WeakPolarHBondContact O-CG 3.14Å; H509-L513 PolarHBondContact O-N 2.93Å; T510-L513 PolarHBondContact O-N 2.83Å; L513-S517 VanDerWaalsContact O-CB 3.26Å; L513-S517 WeakPolarHBondContact O-CB 3.38Å; L513-S517 PolarHBondContact O-N 3.3Å; L513-S517 PolarHBondContact O-OG 2.92Å; L513-F571 HydrophobicContact CD2-CD1 4.09Å; L513-F571 HydrophobicContact CD2-CE1 3.92Å; L513-F571 HydrophobicContact CD2-CZ 4.25Å
514	A	97.3	Very high	95.5	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62.7	-44.3	177	0	0	0	0	0	112.2	F35 W463 F467 T510 G511 S517 F518	F35-A514 HydrophobicContact CB-CB 3.64Å; F35-A514 HydrophobicContact CD1-CB 4.29Å; F35-A514 HydrophobicContact CD2-CB 4.16Å; F35-A514 HydrophobicContact CG-CB 3.78Å; W463-A514 PolarHBondContact NE1-O 2.97Å; W463-A514 VanDerWaalsContact NE1-O 3.16Å; F467-A514 HydrophobicContact CD2-CB 4.42Å; F467-A514 HydrophobicContact CE2-CB 4.24Å; T510-A514 WeakPolarHBondContact O-CB 3.25Å; T510-A514 PolarHBondContact O-N 3.32Å; G511-A514 PolarHBondContact O-N 3.38Å; A514-S517 WeakPolarHBondContact CA-OG 3.12Å; A514-S517 PolarHBondContact O-OG 2.84Å; A514-F518 WeakPolarHBondContact O-CB 3.29Å; A514-F518 PolarHBondContact O-N 3.24Å
515	F	97.1	Very high	95.6	Very high	50 Å²	50	29.7 Å²	29.7	22%	0.219	14%	0.14	C	C	.	.	H	α-helix	trans	-66.4	-49	179.5	-176.4	-117.5	0	0	0	112.3	C31 G511 S512 S517 F518 L519 F581 C582	C31-F515 HydrophobicContact CB-CB 3.93Å; G511-F515 WeakPolarHBondContact O-CB 3.36Å; G511-F515 PolarHBondContact O-N 2.85Å; S512-F515 PolarHBondContact O-N 2.99Å; F515-S517 PolarHBondContact O-N 3.49Å; F515-F518 WeakPolarHBondContact O-CB 3.38Å; F515-F518 PolarHBondContact O-N 2.85Å; F515-L519 HydrophobicContact CD1-CD1 4.44Å; F515-L519 HydrophobicContact CE1-CD1 3.9Å; F515-L519 HydrophobicContact CE2-CD1 4.45Å; F515-L519 HydrophobicContact CE2-CD2 4.27Å; F515-L519 HydrophobicContact CE2-CG 4.35Å; F515-L519 HydrophobicContact CZ-CD1 3.91Å; F515-L519 HydrophobicContact CZ-CD2 4.3Å; F515-L519 HydrophobicContact CZ-CG 4.29Å; F515-L519 WeakPolarHBondContact O-CG 3.4Å; F515-L519 PolarHBondContact O-N 2.91Å; F515-F581 HydrophobicContact CD1-CB 3.98Å; F515-F581 AromaticContact CD1-CD1 3.33Å; F515-F581 HydrophobicContact CD1-CD1 3.33Å; F515-F581 HydrophobicContact CD1-CE1 4.02Å; F515-F581 AromaticContact CD1-CG 3.8Å; F515-F581 HydrophobicContact CD1-CG 3.8Å; F515-F581 AromaticContact CE1-CD1 3.55Å; F515-F581 HydrophobicContact CE1-CD1 3.55Å; F515-F581 HydrophobicContact CE1-CE1 4.05Å; F515-F581 HydrophobicContact CE1-CG 4.43Å; F515-C582 VanDerWaalsContact CE1-SG 3.56Å
516	G	95.9	Very high	95.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-60.3	-47.3	177.4	0	0	0	0	0	111.7	S512 F518 L519 I520 N567	S512-G516 PolarHBondContact O-N 3.14Å; G516-F518 VanDerWaalsContact C-N 3.34Å; G516-F518 PolarHBondContact O-N 2.89Å; G516-L519 PolarHBondContact O-N 3.2Å; G516-I520 PolarHBondContact O-N 3.43Å; G516-N567 WeakPolarHBondContact CA-ND2 3.49Å; G516-N567 PolarHBondContact O-ND2 3.28Å
517	S	97.4	Very high	95.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64.7	-35.7	178.5	56.8	0	0	0	0	113.3	W463 N466 L513 A514 F515 I520 A521	W463-S517 PolarHBondContact NE1-OG 2.89Å; N466-S517 VanDerWaalsContact C-CB 3.45Å; L513-S517 VanDerWaalsContact O-CB 3.26Å; L513-S517 WeakPolarHBondContact O-CB 3.38Å; L513-S517 PolarHBondContact O-N 3.3Å; L513-S517 PolarHBondContact O-OG 2.92Å; A514-S517 WeakPolarHBondContact CA-OG 3.12Å; A514-S517 PolarHBondContact O-OG 2.84Å; F515-S517 PolarHBondContact O-N 3.49Å; S517-I520 PolarHBondContact O-N 3.31Å; S517-A521 VanDerWaalsContact O-CB 3.27Å; S517-A521 WeakPolarHBondContact O-CB 3.5Å; S517-A521 PolarHBondContact O-N 2.91Å
518	F	97.4	Very high	95.2	Very high	60 Å²	60	29.4 Å²	29.4	26%	0.263	14%	0.138	S	C	.	.	H	α-helix	trans	-58.8	-46.9	175.2	170.7	-100.5	0	0	0	111.7	F459 W463 A514 F515 G516 I520 A521 L522	F459-F518 HydrophobicContact CE2-CE2 4.49Å; F459-F518 AromaticContact CZ-CD2 3.86Å; F459-F518 HydrophobicContact CZ-CD2 3.86Å; F459-F518 AromaticContact CZ-CE2 3.71Å; F459-F518 HydrophobicContact CZ-CE2 3.71Å; W463-F518 HydrophobicContact CD2-CD2 4.25Å; W463-F518 AromaticContact CE2-CD2 3.95Å; W463-F518 HydrophobicContact CE3-CD2 4.3Å; W463-F518 AromaticContact CH2-CD2 3.76Å; W463-F518 HydrophobicContact CH2-CD2 3.76Å; W463-F518 HydrophobicContact CH2-CE2 4.44Å; W463-F518 HydrophobicContact CZ2-CB 3.72Å; W463-F518 AromaticContact CZ2-CD2 3.72Å; W463-F518 HydrophobicContact CZ2-CD2 3.72Å; W463-F518 HydrophobicContact CZ2-CG 4.09Å; W463-F518 HydrophobicContact CZ3-CD2 4.05Å; A514-F518 WeakPolarHBondContact O-CB 3.29Å; A514-F518 PolarHBondContact O-N 3.24Å; F515-F518 WeakPolarHBondContact O-CB 3.38Å; F515-F518 PolarHBondContact O-N 2.85Å; G516-F518 VanDerWaalsContact C-N 3.34Å; G516-F518 PolarHBondContact O-N 2.89Å; F518-I520 VanDerWaalsContact C-N 3.32Å; F518-I520 PolarHBondContact O-N 2.98Å; F518-A521 PolarHBondContact O-N 3.21Å; F518-L522 HydrophobicContact CE1-CD2 4.24Å; F518-L522 HydrophobicContact CZ-CD2 4.18Å; F518-L522 WeakPolarHBondContact O-CB 3.42Å; F518-L522 PolarHBondContact O-N 3Å
519	L	95.9	Very high	94.8	Very high	46 Å²	46	27 Å²	27	24%	0.241	13%	0.133	C	C	.	.	H	α-helix	trans	-60.5	-42	-178.4	-66.5	175.7	0	0	0	111.9	F515 G516 L523 L563 F581	F515-L519 HydrophobicContact CD1-CD1 4.44Å; F515-L519 HydrophobicContact CE1-CD1 3.9Å; F515-L519 HydrophobicContact CE2-CD1 4.45Å; F515-L519 HydrophobicContact CE2-CD2 4.27Å; F515-L519 HydrophobicContact CE2-CG 4.35Å; F515-L519 HydrophobicContact CZ-CD1 3.91Å; F515-L519 HydrophobicContact CZ-CD2 4.3Å; F515-L519 HydrophobicContact CZ-CG 4.29Å; F515-L519 WeakPolarHBondContact O-CG 3.4Å; F515-L519 PolarHBondContact O-N 2.91Å; G516-L519 PolarHBondContact O-N 3.2Å; L519-L523 PolarHBondContact O-N 3.44Å; L519-L563 HydrophobicContact CB-CD1 3.94Å; L519-F581 HydrophobicContact CD1-CE1 4.23Å
520	I	96.1	Very high	94.4	Very high	7 Å²	7	28.4 Å²	28.4	4%	0.036	14%	0.14	C	C	.	.	H	α-helix	trans	-67.7	-45.6	175.7	-62.7	172.1	0	0	0	110.3	N466 G516 S517 F518 L522 L523 Q524 L563 K564 N567	N466-I520 WeakPolarHBondContact OD1-CG2 3.27Å; G516-I520 PolarHBondContact O-N 3.43Å; S517-I520 PolarHBondContact O-N 3.31Å; F518-I520 VanDerWaalsContact C-N 3.32Å; F518-I520 PolarHBondContact O-N 2.98Å; I520-L522 VanDerWaalsContact C-N 3.34Å; I520-L522 PolarHBondContact O-N 3.23Å; I520-L523 PolarHBondContact O-N 3.01Å; I520-Q524 HydrophobicContact CG2-CG 4.27Å; I520-Q524 WeakPolarHBondContact O-CG 3.23Å; I520-Q524 PolarHBondContact O-N 3.37Å; I520-L563 HydrophobicContact CG1-CB 4.15Å; I520-K564 HydrophobicContact CD1-CG 3.77Å; I520-K564 HydrophobicContact CG1-CG 4.37Å; I520-K564 HydrophobicContact CG2-CG 4.34Å; I520-N567 HydrophobicContact CD1-CB 4.15Å; I520-N567 WeakPolarHBondContact CD1-ND2 3.32Å
521	A	97	Very high	93.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.9	-41	-177.2	0	0	0	0	0	112.6	F462 W463 S517 F518 L523 Q524 W525	F462-A521 HydrophobicContact CB-CB 3.88Å; W463-A521 VanDerWaalsContact CA-CB 3.47Å; W463-A521 HydrophobicContact CB-CB 3.91Å; W463-A521 HydrophobicContact CG-CB 4.32Å; S517-A521 VanDerWaalsContact O-CB 3.27Å; S517-A521 WeakPolarHBondContact O-CB 3.5Å; S517-A521 PolarHBondContact O-N 2.91Å; F518-A521 PolarHBondContact O-N 3.21Å; A521-L523 VanDerWaalsContact C-N 3.35Å; A521-L523 PolarHBondContact O-N 3.32Å; A521-Q524 PolarHBondContact O-N 3.43Å; A521-W525 VanDerWaalsContact O-CB 3.31Å; A521-W525 WeakPolarHBondContact O-CB 3.23Å; A521-W525 PolarHBondContact O-N 2.98Å
522	L	95.2	Very high	93.3	Very high	60 Å²	60	37.1 Å²	37.1	31%	0.314	17%	0.173	S	C	.	.	H	α-helix	trans	-59.1	-45.4	175.7	-178.6	62.3	0	0	0	111.3	F459 F518 I520 W525 L526	F459-L522 HydrophobicContact CE2-CD1 4.46Å; F518-L522 HydrophobicContact CE1-CD2 4.24Å; F518-L522 HydrophobicContact CZ-CD2 4.18Å; F518-L522 WeakPolarHBondContact O-CB 3.42Å; F518-L522 PolarHBondContact O-N 3Å; I520-L522 VanDerWaalsContact C-N 3.34Å; I520-L522 PolarHBondContact O-N 3.23Å; L522-W525 PolarHBondContact O-N 2.82Å; L522-L526 HydrophobicContact CD1-CD1 4.36Å; L522-L526 HydrophobicContact CD1-CG 4.44Å; L522-L526 HydrophobicContact CG-CD1 4.16Å; L522-L526 WeakPolarHBondContact O-CB 3.37Å; L522-L526 VanDerWaalsContact O-CG 3.24Å; L522-L526 WeakPolarHBondContact O-CG 3.4Å; L522-L526 PolarHBondContact O-N 3.31Å
523	L	94.4	Very high	92.7	Very high	17 Å²	17	40.3 Å²	40.3	9%	0.089	19%	0.19	C	C	.	.	H	α-helix	trans	-66.6	-40.9	177.7	-66.9	-174.3	0	0	0	112.9	L519 I520 A521 L526 R527 F556 L559 L563	L519-L523 PolarHBondContact O-N 3.44Å; I520-L523 PolarHBondContact O-N 3.01Å; A521-L523 VanDerWaalsContact C-N 3.35Å; A521-L523 PolarHBondContact O-N 3.32Å; L523-L526 PolarHBondContact O-N 3.35Å; L523-R527 VanDerWaalsContact O-CB 3.31Å; L523-R527 WeakPolarHBondContact O-CB 3.4Å; L523-R527 PolarHBondContact O-N 3.14Å; L523-F556 HydrophobicContact CD2-CD1 4.23Å; L523-F556 HydrophobicContact CD2-CE1 4.42Å; L523-L559 HydrophobicContact CD1-CB 4.02Å; L523-L559 HydrophobicContact CD1-CD2 3.59Å; L523-L559 HydrophobicContact CD1-CG 3.47Å; L523-L559 VanDerWaalsContact CD1-CG 3.47Å; L523-L559 HydrophobicContact CD2-CD2 3.7Å; L523-L559 HydrophobicContact CG-CD2 4.31Å; L523-L563 HydrophobicContact CD1-CD1 3.38Å; L523-L563 HydrophobicContact CD1-CG 4.12Å; L523-L563 HydrophobicContact CG-CD1 4.2Å
524	Q	94.8	Very high	92.1	Very high	26 Å²	26	41.4 Å²	41.4	12%	0.121	20%	0.196	C	C	.	.	H	α-helix	trans	-63.3	-44.3	177.2	-72.1	-176.1	-34	0	0	111.3	F462 N466 I520 A521 R527 V528 E560	F462-Q524 HydrophobicContact CB-CB 4.41Å; F462-Q524 HydrophobicContact CD1-CB 3.73Å; F462-Q524 HydrophobicContact CD1-CG 4.46Å; F462-Q524 VanDerWaalsContact CD1-OE1 3.29Å; F462-Q524 HydrophobicContact CD2-CB 4.3Å; F462-Q524 HydrophobicContact CE1-CB 4.04Å; F462-Q524 HydrophobicContact CG-CB 3.9Å; F462-Q524 HydrophobicContact CZ-CB 4.46Å; N466-Q524 PolarHBondContact ND2-OE1 3.01Å; I520-Q524 HydrophobicContact CG2-CG 4.27Å; I520-Q524 WeakPolarHBondContact O-CG 3.23Å; I520-Q524 PolarHBondContact O-N 3.37Å; A521-Q524 PolarHBondContact O-N 3.43Å; Q524-R527 PolarHBondContact O-N 3.4Å; Q524-V528 WeakPolarHBondContact O-CG2 3.31Å; Q524-V528 PolarHBondContact O-N 3.21Å; Q524-E560 HydrophobicContact CG-CG 4.25Å; Q524-E560 PolarHBondContact NE2-OE1 3.4Å
525	W	93.4	Very high	91.4	Very high	61 Å²	61	45.7 Å²	45.7	23%	0.231	22%	0.222	C	C	.	.	H	α-helix	trans	-62.8	-45	176.6	-179.9	85	0	0	0	112.2	L455 F459 F462 A521 L522 R527 V528 T529	L455-W525 PolarHBondContact O-NE1 3.34Å; F459-W525 HydrophobicContact CB-CG 4.19Å; F459-W525 HydrophobicContact CD2-CB 3.95Å; F459-W525 HydrophobicContact CD2-CD2 4.38Å; F459-W525 AromaticContact CD2-CG 3.91Å; F459-W525 HydrophobicContact CD2-CG 3.91Å; F462-W525 HydrophobicContact CD2-CB 4.08Å; A521-W525 VanDerWaalsContact O-CB 3.31Å; A521-W525 WeakPolarHBondContact O-CB 3.23Å; A521-W525 PolarHBondContact O-N 2.98Å; L522-W525 PolarHBondContact O-N 2.82Å; W525-R527 PolarHBondContact O-N 2.84Å; W525-V528 PolarHBondContact O-N 3.06Å; W525-T529 WeakPolarHBondContact O-CB 3.47Å; W525-T529 PolarHBondContact O-N 3.35Å; W525-T529 PolarHBondContact O-OG1 2.95Å
526	L	91.4	Very high	90.6	Very high	57 Å²	57	49 Å²	49	30%	0.298	24%	0.236	S	C	.	.	H	α-helix	trans	-61	-44.1	175.7	-74.7	171.8	0	0	0	111.8	L522 L523 T529 L530 F556	L522-L526 HydrophobicContact CD1-CD1 4.36Å; L522-L526 HydrophobicContact CD1-CG 4.44Å; L522-L526 HydrophobicContact CG-CD1 4.16Å; L522-L526 WeakPolarHBondContact O-CB 3.37Å; L522-L526 VanDerWaalsContact O-CG 3.24Å; L522-L526 WeakPolarHBondContact O-CG 3.4Å; L522-L526 PolarHBondContact O-N 3.31Å; L523-L526 PolarHBondContact O-N 3.35Å; L526-T529 PolarHBondContact O-N 3.06Å; L526-L530 WeakPolarHBondContact O-CG 3.07Å; L526-L530 PolarHBondContact O-N 2.92Å; L526-F556 HydrophobicContact CB-CD2 4.48Å; L526-F556 HydrophobicContact CB-CE2 4.07Å; L526-F556 HydrophobicContact CD1-CZ 4.37Å
527	R	90.5	Very high	90	Very high	66 Å²	66	52.2 Å²	52.2	25%	0.249	25%	0.253	C	S	.	.	H	α-helix	trans	-62	-49	179.1	179.8	-179.5	166	-158.4	-1.3	112	L523 Q524 W525 T529 L530 E531 F556 E560	L523-R527 VanDerWaalsContact O-CB 3.31Å; L523-R527 WeakPolarHBondContact O-CB 3.4Å; L523-R527 PolarHBondContact O-N 3.14Å; Q524-R527 PolarHBondContact O-N 3.4Å; W525-R527 PolarHBondContact O-N 2.84Å; R527-T529 VanDerWaalsContact C-N 3.27Å; R527-T529 PolarHBondContact O-N 2.86Å; R527-L530 PolarHBondContact O-N 3.34Å; R527-E531 IonicContact CZ-OE1 2.84Å; R527-E531 IonicContact NE-OE1 3.35Å; R527-E531 PolarHBondContact NE-OE1 3.38Å; R527-E531 IonicContact NH2-OE1 2.81Å; R527-E531 PolarHBondContact NH2-OE1 3.41Å; R527-E531 WeakPolarHBondContact O-CG 3.4Å; R527-E531 PolarHBondContact O-N 2.95Å; R527-F556 HydrophobicContact CB-CB 4.35Å; R527-E560 IonicContact NH1-OE2 2.68Å; R527-E560 PolarHBondContact NH1-OE2 3.06Å
528	V	89.4	Confident	88.9	Confident	55 Å²	55	58.4 Å²	58.4	33%	0.333	28%	0.28	S	S	.	.	H	α-helix	trans	-62.8	-37.6	178	172	0	0	0	0	111.1	L458 F462 Q524 W525 E531 Y532	L458-V528 HydrophobicContact CD2-CG1 4.14Å; F462-V528 HydrophobicContact CE2-CG2 4.26Å; F462-V528 HydrophobicContact CZ-CG2 3.83Å; Q524-V528 WeakPolarHBondContact O-CG2 3.31Å; Q524-V528 PolarHBondContact O-N 3.21Å; W525-V528 PolarHBondContact O-N 3.06Å; V528-E531 PolarHBondContact O-N 3.45Å; V528-Y532 WeakPolarHBondContact O-CB 3.49Å; V528-Y532 PolarHBondContact O-N 3.15Å
529	T	85.5	Confident	87.8	Confident	33 Å²	33	64.6 Å²	64.6	20%	0.202	31%	0.307	C	S	.	.	H	α-helix	trans	-64	-42.2	175.6	-57.3	0	0	0	0	111.7	W525 L526 R527 Y532 I533	W525-T529 WeakPolarHBondContact O-CB 3.47Å; W525-T529 PolarHBondContact O-N 3.35Å; W525-T529 PolarHBondContact O-OG1 2.95Å; L526-T529 PolarHBondContact O-N 3.06Å; R527-T529 VanDerWaalsContact C-N 3.27Å; R527-T529 PolarHBondContact O-N 2.86Å; T529-Y532 WeakPolarHBondContact O-CB 3.49Å; T529-Y532 PolarHBondContact O-N 3.07Å; T529-I533 HydrophobicContact CG2-CD1 4.05Å; T529-I533 VanDerWaalsContact O-CG1 3.31Å; T529-I533 WeakPolarHBondContact O-CG1 3.46Å; T529-I533 PolarHBondContact O-N 2.73Å
530	L	86.1	Confident	86.8	Confident	30 Å²	30	66 Å²	66	16%	0.157	33%	0.326	C	S	.	.	H	α-helix	trans	-64.5	-41.2	174.5	-75	-176.4	0	0	0	112.7	L526 R527 Y532 I533 N534 L549 L552 F556	L526-L530 WeakPolarHBondContact O-CG 3.07Å; L526-L530 PolarHBondContact O-N 2.92Å; R527-L530 PolarHBondContact O-N 3.34Å; L530-Y532 VanDerWaalsContact C-N 3.3Å; L530-Y532 PolarHBondContact O-N 3.38Å; L530-I533 PolarHBondContact O-N 3.06Å; L530-N534 VanDerWaalsContact O-CB 3.3Å; L530-N534 WeakPolarHBondContact O-CB 3.33Å; L530-N534 PolarHBondContact O-N 2.7Å; L530-L549 HydrophobicContact CD2-CD2 3.97Å; L530-L552 HydrophobicContact CD1-CB 3.87Å; L530-L552 HydrophobicContact CD1-CD1 4.47Å; L530-F556 HydrophobicContact CD1-CD2 3.61Å; L530-F556 HydrophobicContact CD1-CE2 3.4Å; L530-F556 VanDerWaalsContact CD1-CE2 3.4Å; L530-F556 HydrophobicContact CG-CE2 4.39Å
531	E	86	Confident	85.7	Confident	76 Å²	76	72 Å²	72	36%	0.355	36%	0.358	S	S	.	.	H	α-helix	trans	-63.3	-37.6	176.3	-72.3	175.8	-168.1	0	0	111.3	R527 V528 T535	R527-E531 IonicContact CZ-OE1 2.84Å; R527-E531 IonicContact NE-OE1 3.35Å; R527-E531 PolarHBondContact NE-OE1 3.38Å; R527-E531 IonicContact NH2-OE1 2.81Å; R527-E531 PolarHBondContact NH2-OE1 3.41Å; R527-E531 WeakPolarHBondContact O-CG 3.4Å; R527-E531 PolarHBondContact O-N 2.95Å; V528-E531 PolarHBondContact O-N 3.45Å; E531-T535 PolarHBondContact O-N 3.01Å; E531-T535 PolarHBondContact O-OG1 2.92Å
532	Y	84.5	Confident	85.1	Confident	135 Å²	135	75.7 Å²	75.7	53%	0.529	38%	0.377	S	S	.	.	H	α-helix	trans	-64.4	-48.3	172.7	177.4	-104.2	0	0	0	112.3	V528 T529 L530 N534 T535 K536	V528-Y532 WeakPolarHBondContact O-CB 3.49Å; V528-Y532 PolarHBondContact O-N 3.15Å; T529-Y532 WeakPolarHBondContact O-CB 3.49Å; T529-Y532 PolarHBondContact O-N 3.07Å; L530-Y532 VanDerWaalsContact C-N 3.3Å; L530-Y532 PolarHBondContact O-N 3.38Å; Y532-N534 VanDerWaalsContact C-N 3.34Å; Y532-N534 PolarHBondContact O-N 3Å; Y532-T535 WeakPolarHBondContact O-CB 3.34Å; Y532-T535 PolarHBondContact O-N 3.27Å; Y532-T535 VanDerWaalsContact O-N 3.17Å; Y532-K536 HydrophobicContact CE1-CG 4.28Å; Y532-K536 HydrophobicContact CE2-CG 4.5Å; Y532-K536 VanDerWaalsContact CZ-CE 3.45Å; Y532-K536 PolarHBondContact O-N 3.4Å; Y532-K536 VanDerWaalsContact O-N 3.11Å; Y532-K536 WeakPolarHBondContact OH-CE 3.39Å
533	I	84.4	Confident	84.5	Confident	68 Å²	68	77.4 Å²	77.4	35%	0.349	39%	0.392	S	S	.	.	H	α-helix	trans	-60.2	-44.8	177.4	-69.8	166.2	0	0	0	110.6	T529 L530 T535 K536 L537	T529-I533 HydrophobicContact CG2-CD1 4.05Å; T529-I533 VanDerWaalsContact O-CG1 3.31Å; T529-I533 WeakPolarHBondContact O-CG1 3.46Å; T529-I533 PolarHBondContact O-N 2.73Å; L530-I533 PolarHBondContact O-N 3.06Å; I533-T535 VanDerWaalsContact C-N 3.28Å; I533-T535 PolarHBondContact O-N 2.84Å; I533-K536 PolarHBondContact O-N 3.32Å; I533-K536 VanDerWaalsContact O-N 3.09Å; I533-L537 HydrophobicContact CG2-CD1 3.48Å; I533-L537 VanDerWaalsContact CG2-CD1 3.48Å; I533-L537 HydrophobicContact CG2-CG 4.12Å; I533-L537 WeakPolarHBondContact O-CB 3.31Å; I533-L537 WeakPolarHBondContact O-CG 3.3Å; I533-L537 PolarHBondContact O-N 3.07Å
534	N	83.6	Confident	84.1	Confident	22 Å²	22	81 Å²	81	12%	0.118	42%	0.415	C	S	.	.	H	α-helix	trans	-56.1	-44	175.6	-173.5	22	0	0	0	111.5	L530 Y532 K536 L537 K538 L549	L530-N534 VanDerWaalsContact O-CB 3.3Å; L530-N534 WeakPolarHBondContact O-CB 3.33Å; L530-N534 PolarHBondContact O-N 2.7Å; Y532-N534 VanDerWaalsContact C-N 3.34Å; Y532-N534 PolarHBondContact O-N 3Å; N534-K536 VanDerWaalsContact C-N 3.3Å; N534-K536 PolarHBondContact O-N 3.4Å; N534-L537 PolarHBondContact O-N 3.01Å; N534-K538 WeakPolarHBondContact O-CG 3.34Å; N534-K538 PolarHBondContact O-N 2.93Å; N534-L549 HydrophobicContact CB-CB 4.36Å; N534-L549 HydrophobicContact CB-CD1 3.85Å
535	T	82.7	Confident	83.5	Confident	90 Å²	90	82 Å²	82	55%	0.552	42%	0.423	S	S	*	.	H	α-helix	trans	-63.7	-35.3	178.2	-56.5	0	0	0	0	112.5	E531 Y532 I533	E531-T535 PolarHBondContact O-N 3.01Å; E531-T535 PolarHBondContact O-OG1 2.92Å; Y532-T535 WeakPolarHBondContact O-CB 3.34Å; Y532-T535 PolarHBondContact O-N 3.27Å; Y532-T535 VanDerWaalsContact O-N 3.17Å; I533-T535 VanDerWaalsContact C-N 3.28Å; I533-T535 PolarHBondContact O-N 2.84Å
536	K	82.2	Confident	82.9	Confident	119 Å²	119	80.9 Å²	80.9	52%	0.517	42%	0.421	S	S	.	.	H	α-helix	trans	-74	-39.9	175.6	-67.9	-67.5	-173.1	175.9	0	112.6	Y532 I533 N534 K538 K539	Y532-K536 HydrophobicContact CE1-CG 4.28Å; Y532-K536 HydrophobicContact CE2-CG 4.5Å; Y532-K536 VanDerWaalsContact CZ-CE 3.45Å; Y532-K536 PolarHBondContact O-N 3.4Å; Y532-K536 VanDerWaalsContact O-N 3.11Å; Y532-K536 WeakPolarHBondContact OH-CE 3.39Å; I533-K536 PolarHBondContact O-N 3.32Å; I533-K536 VanDerWaalsContact O-N 3.09Å; N534-K536 VanDerWaalsContact C-N 3.3Å; N534-K536 PolarHBondContact O-N 3.4Å; K536-K538 VanDerWaalsContact C-N 3.34Å; K536-K539 PolarHBondContact O-N 3.44Å
537	L	81.4	Confident	82.7	Confident	68 Å²	68	85 Å²	85	36%	0.356	44%	0.437	S	S	.	.	H	α-helix	trans	-76	-18.7	-178.3	-69.8	173.7	0	0	0	113.8	I533 N534 K539 A540 T545 L549	I533-L537 HydrophobicContact CG2-CD1 3.48Å; I533-L537 VanDerWaalsContact CG2-CD1 3.48Å; I533-L537 HydrophobicContact CG2-CG 4.12Å; I533-L537 WeakPolarHBondContact O-CB 3.31Å; I533-L537 WeakPolarHBondContact O-CG 3.3Å; I533-L537 PolarHBondContact O-N 3.07Å; N534-L537 PolarHBondContact O-N 3.01Å; L537-K539 PolarHBondContact O-N 3.31Å; L537-A540 PolarHBondContact O-N 3.48Å; L537-T545 HydrophobicContact CD1-CG2 3.82Å; L537-L549 HydrophobicContact CD1-CD1 4.04Å
538	K	75.4	Confident	82.5	Confident	131 Å²	131	86.6 Å²	86.6	57%	0.57	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-52.8	-25.4	170.1	-83.2	178.9	-177.4	-178.5	0	113.1	N534 K536 A540	N534-K538 WeakPolarHBondContact O-CG 3.34Å; N534-K538 PolarHBondContact O-N 2.93Å; K536-K538 VanDerWaalsContact C-N 3.34Å; K538-A540 VanDerWaalsContact C-N 3.34Å
539	K	73.9	Confident	82.3	Confident	189 Å²	189	84.7 Å²	84.7	82%	0.822	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-71.3	-24.5	174.5	-64	-172	176.7	-169.8	0	114	K536 L537	K536-K539 PolarHBondContact O-N 3.44Å; L537-K539 PolarHBondContact O-N 3.31Å
540	A	74.2	Confident	82.2	Confident	77 Å²	77	90.1 Å²	90.1	64%	0.636	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-92.4	-3.1	-177.6	0	0	0	0	0	113.7	L537 K538 N542	L537-A540 PolarHBondContact O-N 3.48Å; K538-A540 VanDerWaalsContact C-N 3.34Å; A540-N542 PolarHBondContact O-N 3.24Å
541	N	73.9	Confident	82.3	Confident	133 Å²	133	91.7 Å²	91.7	71%	0.711	47%	0.471	S	S	*	.			trans	46.4	44.5	171.8	-151.8	25.2	0	0	0	116.9
542	N	83.8	Confident	82.4	Confident	76 Å²	76	91.9 Å²	91.9	41%	0.406	47%	0.474	S	S	.	.			trans	-96.4	115.8	172.8	-173.1	-30.6	0	0	0	111.6	A540 V544 T545 N546	A540-N542 PolarHBondContact O-N 3.24Å; N542-V544 PolarHBondContact O-N 3.14Å; N542-V544 PolarHBondContact OD1-N 3.33Å; N542-T545 PolarHBondContact O-N 2.83Å; N542-N546 PolarHBondContact O-N 2.71Å; N542-N546 PolarHBondContact O-ND2 3.45Å
543	P	83.3	Confident	82.5	Confident	97 Å²	97	86.4 Å²	86.4	63%	0.63	46%	0.456	S	S	*	.	H	α-helix	trans	-65.5	-36.3	-176.6	24.9	-33.1	0	0	0	113.8	N546 F547	P543-N546 PolarHBondContact O-N 3.16Å; P543-F547 PolarHBondContact O-N 3.33Å
544	V	85.2	Confident	82.7	Confident	93 Å²	93	86.9 Å²	86.9	56%	0.564	46%	0.464	S	S	*	.	H	α-helix	trans	-65.9	-43.7	-179.3	178.5	0	0	0	0	110.7	N542 N546 F547 L548	N542-V544 PolarHBondContact O-N 3.14Å; N542-V544 PolarHBondContact OD1-N 3.33Å; V544-N546 PolarHBondContact O-N 3.25Å; V544-F547 PolarHBondContact O-N 3.44Å; V544-L548 HydrophobicContact CG1-CD1 4.06Å; V544-L548 WeakPolarHBondContact O-CG 3.17Å; V544-L548 PolarHBondContact O-N 3.35Å
545	T	82.9	Confident	83	Confident	47 Å²	47	89.2 Å²	89.2	29%	0.288	48%	0.481	S	S	.	.	H	α-helix	trans	-63.7	-42.4	178.3	-57.6	0	0	0	0	111.2	L537 N542 F547 L548 L549	L537-T545 HydrophobicContact CD1-CG2 3.82Å; N542-T545 PolarHBondContact O-N 2.83Å; T545-F547 VanDerWaalsContact C-N 3.34Å; T545-F547 PolarHBondContact O-N 3.36Å; T545-L548 PolarHBondContact O-N 3.42Å; T545-L549 HydrophobicContact CG2-CD1 3.9Å; T545-L549 HydrophobicContact CG2-CG 4.43Å; T545-L549 WeakPolarHBondContact O-CB 3.44Å; T545-L549 VanDerWaalsContact O-CG 3.31Å; T545-L549 WeakPolarHBondContact O-CG 3.45Å; T545-L549 PolarHBondContact O-N 3.39Å
546	N	81.6	Confident	83.3	Confident	36 Å²	36	87.1 Å²	87.1	19%	0.193	47%	0.465	C	S	.	.	H	α-helix	trans	-63.2	-38.5	176.9	-75.8	-23.3	0	0	0	112.6	N542 P543 V544 K550	N542-N546 PolarHBondContact O-N 2.71Å; N542-N546 PolarHBondContact O-ND2 3.45Å; P543-N546 PolarHBondContact O-N 3.16Å; V544-N546 PolarHBondContact O-N 3.25Å; N546-K550 WeakPolarHBondContact O-CG 3.25Å; N546-K550 PolarHBondContact O-N 3.17Å
547	F	85.9	Confident	83.6	Confident	145 Å²	145	87.3 Å²	87.3	64%	0.636	46%	0.462	S	S	*	.	H	α-helix	trans	-65.3	-49.3	175.6	176.3	-101.3	0	0	0	111.8	P543 V544 T545 L549 K550 C551	P543-F547 PolarHBondContact O-N 3.33Å; V544-F547 PolarHBondContact O-N 3.44Å; T545-F547 VanDerWaalsContact C-N 3.34Å; T545-F547 PolarHBondContact O-N 3.36Å; F547-L549 PolarHBondContact O-N 3.27Å; F547-K550 PolarHBondContact O-N 2.96Å; F547-C551 PolarHBondContact O-N 3.5Å
548	L	86.4	Confident	84.1	Confident	98 Å²	98	89.5 Å²	89.5	51%	0.513	47%	0.474	S	S	.	.	H	α-helix	trans	-60.7	-42.4	179.8	-71.1	167.7	0	0	0	112.3	V544 T545 K550 C551 L552	V544-L548 HydrophobicContact CG1-CD1 4.06Å; V544-L548 WeakPolarHBondContact O-CG 3.17Å; V544-L548 PolarHBondContact O-N 3.35Å; T545-L548 PolarHBondContact O-N 3.42Å; L548-K550 PolarHBondContact O-N 3.32Å; L548-C551 PolarHBondContact O-N 3.27Å; L548-L552 WeakPolarHBondContact O-CG 3.47Å; L548-L552 PolarHBondContact O-N 2.95Å
549	L	84.8	Confident	84.9	Confident	15 Å²	15	86.6 Å²	86.6	8%	0.079	46%	0.464	C	S	.	.	H	α-helix	trans	-64.9	-37.7	178	-71.2	171.7	0	0	0	112.6	L530 N534 L537 T545 F547 S553	L530-L549 HydrophobicContact CD2-CD2 3.97Å; N534-L549 HydrophobicContact CB-CB 4.36Å; N534-L549 HydrophobicContact CB-CD1 3.85Å; L537-L549 HydrophobicContact CD1-CD1 4.04Å; T545-L549 HydrophobicContact CG2-CD1 3.9Å; T545-L549 HydrophobicContact CG2-CG 4.43Å; T545-L549 WeakPolarHBondContact O-CB 3.44Å; T545-L549 VanDerWaalsContact O-CG 3.31Å; T545-L549 WeakPolarHBondContact O-CG 3.45Å; T545-L549 PolarHBondContact O-N 3.39Å; F547-L549 PolarHBondContact O-N 3.27Å; L549-S553 WeakPolarHBondContact O-CB 3.35Å; L549-S553 PolarHBondContact O-N 3.01Å; L549-S553 PolarHBondContact O-OG 2.8Å
550	K	83.9	Confident	85.9	Confident	148 Å²	148	78.2 Å²	78.2	64%	0.643	43%	0.428	S	S	*	.	H	α-helix	trans	-64.8	-43.6	173.3	-77.1	180	179.6	-176.2	0	111.7	N546 F547 L548 S553 C554	N546-K550 WeakPolarHBondContact O-CG 3.25Å; N546-K550 PolarHBondContact O-N 3.17Å; F547-K550 PolarHBondContact O-N 2.96Å; L548-K550 PolarHBondContact O-N 3.32Å; K550-S553 PolarHBondContact O-N 2.86Å; K550-C554 PolarHBondContact O-N 3.28Å
551	C	88.5	Confident	86.7	Confident	63 Å²	63	79.7 Å²	79.7	43%	0.426	42%	0.42	S	S	.	.	H	α-helix	trans	-61.4	-50	177.6	-173.6	0	0	0	0	111.5	F547 L548 S553 C554 C555	F547-C551 PolarHBondContact O-N 3.5Å; L548-C551 PolarHBondContact O-N 3.27Å; C551-S553 VanDerWaalsContact C-N 3.33Å; C551-S553 PolarHBondContact O-N 2.93Å; C551-C554 WeakPolarHBondContact O-CB 3.4Å; C551-C554 PolarHBondContact O-N 3.25Å; C551-C554 VanDerWaalsContact O-N 3.15Å; C551-C555 PolarHBondContact O-N 3.48Å; C551-C555 PolarHBondContact O-SG 3.07Å; C551-C555 VanDerWaalsContact O-SG 3.38Å
552	L	88.5	Confident	87.6	Confident	79 Å²	79	78 Å²	78	41%	0.414	41%	0.41	S	S	.	.	H	α-helix	trans	-60	-41.3	177.1	-73.4	170.5	0	0	0	112.6	L530 L548 C554 C555 F556	L530-L552 HydrophobicContact CD1-CB 3.87Å; L530-L552 HydrophobicContact CD1-CD1 4.47Å; L548-L552 WeakPolarHBondContact O-CG 3.47Å; L548-L552 PolarHBondContact O-N 2.95Å; L552-C554 VanDerWaalsContact C-N 3.3Å; L552-C554 PolarHBondContact O-N 3.48Å; L552-C555 PolarHBondContact O-N 3.45Å; L552-F556 PolarHBondContact O-N 3.15Å
553	S	85.8	Confident	88.1	Confident	21 Å²	21	75.7 Å²	75.7	15%	0.147	40%	0.398	C	S	.	.	H	α-helix	trans	-61.9	-39.5	177	-58.1	0	0	0	0	111.7	L549 K550 C551 W557	L549-S553 WeakPolarHBondContact O-CB 3.35Å; L549-S553 PolarHBondContact O-N 3.01Å; L549-S553 PolarHBondContact O-OG 2.8Å; K550-S553 PolarHBondContact O-N 2.86Å; C551-S553 VanDerWaalsContact C-N 3.33Å; C551-S553 PolarHBondContact O-N 2.93Å; S553-W557 WeakPolarHBondContact O-CB 3.31Å; S553-W557 PolarHBondContact O-N 2.81Å
554	C	87.8	Confident	88.6	Confident	78 Å²	78	74.5 Å²	74.5	53%	0.527	38%	0.383	S	S	.	.	H	α-helix	trans	-64.8	-47.6	174.2	-172.9	0	0	0	0	111.8	K550 C551 L552 F556 W557 L558	K550-C554 PolarHBondContact O-N 3.28Å; C551-C554 WeakPolarHBondContact O-CB 3.4Å; C551-C554 PolarHBondContact O-N 3.25Å; C551-C554 VanDerWaalsContact O-N 3.15Å; L552-C554 VanDerWaalsContact C-N 3.3Å; L552-C554 PolarHBondContact O-N 3.48Å; C554-F556 PolarHBondContact O-N 3.14Å; C554-W557 PolarHBondContact O-N 3.45Å; C554-L558 PolarHBondContact O-N 2.75Å
555	C	91.2	Very high	89	Confident	71 Å²	71	74 Å²	74	48%	0.48	37%	0.373	S	S	.	.	H	α-helix	trans	-59.8	-43.5	178.3	-68.4	0	0	0	0	112.3	C551 L552 L558 L559	C551-C555 PolarHBondContact O-N 3.48Å; C551-C555 PolarHBondContact O-SG 3.07Å; C551-C555 VanDerWaalsContact O-SG 3.38Å; L552-C555 PolarHBondContact O-N 3.45Å; C555-L558 PolarHBondContact O-N 2.83Å; C555-L559 WeakPolarHBondContact O-CB 3.15Å; C555-L559 PolarHBondContact O-N 2.73Å
556	F	89	Confident	89.5	Confident	46 Å²	46	73.1 Å²	73.1	20%	0.202	37%	0.366	C	S	.	.	H	α-helix	trans	-69.2	-34.5	176.7	-74	-27.6	0	0	0	113.1	L523 L526 R527 L530 L552 C554 L559 E560	L523-F556 HydrophobicContact CD2-CD1 4.23Å; L523-F556 HydrophobicContact CD2-CE1 4.42Å; L526-F556 HydrophobicContact CB-CD2 4.48Å; L526-F556 HydrophobicContact CB-CE2 4.07Å; L526-F556 HydrophobicContact CD1-CZ 4.37Å; R527-F556 HydrophobicContact CB-CB 4.35Å; L530-F556 HydrophobicContact CD1-CD2 3.61Å; L530-F556 HydrophobicContact CD1-CE2 3.4Å; L530-F556 VanDerWaalsContact CD1-CE2 3.4Å; L530-F556 HydrophobicContact CG-CE2 4.39Å; L552-F556 PolarHBondContact O-N 3.15Å; C554-F556 PolarHBondContact O-N 3.14Å; F556-L559 PolarHBondContact O-N 2.05Å; F556-E560 VanDerWaalsContact O-CB 3.27Å; F556-E560 WeakPolarHBondContact O-CB 3.29Å; F556-E560 PolarHBondContact O-N 2.82Å
557	W	88.3	Confident	90.2	Very high	122 Å²	122	71.4 Å²	71.4	46%	0.462	36%	0.357	S	S	.	.	H	α-helix	trans	-62.9	-44.2	171.8	177.7	77	0	0	0	112	S553 C554 E560 K561	S553-W557 WeakPolarHBondContact O-CB 3.31Å; S553-W557 PolarHBondContact O-N 2.81Å; C554-W557 PolarHBondContact O-N 3.45Å; W557-E560 PolarHBondContact O-N 2.89Å; W557-K561 HydrophobicContact CZ2-CG 4.43Å; W557-K561 WeakPolarHBondContact O-CG 3.2Å; W557-K561 PolarHBondContact O-N 3.27Å; W557-K561 VanDerWaalsContact O-N 3.1Å
558	L	91.9	Very high	90.6	Very high	115 Å²	115	66.6 Å²	66.6	60%	0.602	34%	0.335	S	S	*	.	H	α-helix	trans	-63.8	-43.7	176.5	-177.3	64.1	0	0	0	111.6	C554 C555 K561 L562	C554-L558 PolarHBondContact O-N 2.75Å; C555-L558 PolarHBondContact O-N 2.83Å; L558-K561 PolarHBondContact O-N 2.91Å; L558-L562 PolarHBondContact O-N 2.04Å
559	L	93.1	Very high	91.1	Very high	69 Å²	69	62.1 Å²	62.1	36%	0.361	31%	0.312	S	S	.	.	H	α-helix	trans	-65.6	-38.7	178	-172.9	64.2	0	0	0	111.9	L523 C555 F556 K561 L562 L563	L523-L559 HydrophobicContact CD1-CB 4.02Å; L523-L559 HydrophobicContact CD1-CD2 3.59Å; L523-L559 HydrophobicContact CD1-CG 3.47Å; L523-L559 VanDerWaalsContact CD1-CG 3.47Å; L523-L559 HydrophobicContact CD2-CD2 3.7Å; L523-L559 HydrophobicContact CG-CD2 4.31Å; C555-L559 WeakPolarHBondContact O-CB 3.15Å; C555-L559 PolarHBondContact O-N 2.73Å; F556-L559 PolarHBondContact O-N 2.05Å; L559-K561 VanDerWaalsContact C-N 3.31Å; L559-K561 PolarHBondContact O-N 3.21Å; L559-L562 HydrophobicContact CD1-CD2 4.49Å; L559-L562 PolarHBondContact O-N 2.97Å; L559-L563 WeakPolarHBondContact O-CB 3.32Å; L559-L563 WeakPolarHBondContact O-CG 3.35Å; L559-L563 PolarHBondContact O-N 2.9Å
560	E	93	Very high	91.6	Very high	13 Å²	13	61.4 Å²	61.4	6%	0.061	31%	0.308	C	S	.	.	H	α-helix	trans	-58.2	-44.2	173	-177.9	-170.6	166.8	0	0	110.9	Q524 R527 F556 W557 K564	Q524-E560 HydrophobicContact CG-CG 4.25Å; Q524-E560 PolarHBondContact NE2-OE1 3.4Å; R527-E560 IonicContact NH1-OE2 2.68Å; R527-E560 PolarHBondContact NH1-OE2 3.06Å; F556-E560 VanDerWaalsContact O-CB 3.27Å; F556-E560 WeakPolarHBondContact O-CB 3.29Å; F556-E560 PolarHBondContact O-N 2.82Å; W557-E560 PolarHBondContact O-N 2.89Å; E560-K564 HydrophobicContact CG-CD 4.35Å; E560-K564 WeakPolarHBondContact O-CB 3.41Å; E560-K564 WeakPolarHBondContact O-CG 3.49Å; E560-K564 PolarHBondContact O-N 2.8Å; E560-K564 VanDerWaalsContact OE1-CE 3.28Å; E560-K564 WeakPolarHBondContact OE1-CE 3.07Å; E560-K564 IonicContact OE1-NZ 3.76Å; E560-K564 PolarHBondContact OE1-NZ 2.76Å
561	K	91.9	Very high	92.2	Very high	109 Å²	109	54.4 Å²	54.4	47%	0.474	28%	0.277	S	S	.	.	H	α-helix	trans	-64.6	-45	177.4	-68.3	-67.9	-178.5	174.2	0	111.9	W557 L558 L559 K564 F565	W557-K561 HydrophobicContact CZ2-CG 4.43Å; W557-K561 WeakPolarHBondContact O-CG 3.2Å; W557-K561 PolarHBondContact O-N 3.27Å; W557-K561 VanDerWaalsContact O-N 3.1Å; L558-K561 PolarHBondContact O-N 2.91Å; L559-K561 VanDerWaalsContact C-N 3.31Å; L559-K561 PolarHBondContact O-N 3.21Å; K561-K564 PolarHBondContact O-N 3.06Å; K561-F565 PolarHBondContact O-N 3.41Å
562	L	93.2	Very high	92.6	Very high	98 Å²	98	51.4 Å²	51.4	51%	0.513	26%	0.257	S	S	.	.	H	α-helix	trans	-62.1	-45.1	177.2	-179.5	64.6	0	0	0	111.7	L558 L559 F565 L566	L558-L562 PolarHBondContact O-N 2.04Å; L559-L562 HydrophobicContact CD1-CD2 4.49Å; L559-L562 PolarHBondContact O-N 2.97Å; L562-F565 PolarHBondContact O-N 3.03Å; L562-L566 WeakPolarHBondContact O-CB 3.4Å; L562-L566 PolarHBondContact O-N 2.93Å
563	L	94.3	Very high	92.9	Very high	27 Å²	27	47.6 Å²	47.6	14%	0.141	24%	0.237	C	C	.	.	H	α-helix	trans	-65.9	-39.1	178.2	-76.2	-167.1	0	0	0	112.4	L519 I520 L523 L559 F565 L566 N567	L519-L563 HydrophobicContact CB-CD1 3.94Å; I520-L563 HydrophobicContact CG1-CB 4.15Å; L523-L563 HydrophobicContact CD1-CD1 3.38Å; L523-L563 HydrophobicContact CD1-CG 4.12Å; L523-L563 HydrophobicContact CG-CD1 4.2Å; L559-L563 WeakPolarHBondContact O-CB 3.32Å; L559-L563 WeakPolarHBondContact O-CG 3.35Å; L559-L563 PolarHBondContact O-N 2.9Å; L563-F565 VanDerWaalsContact C-N 3.33Å; L563-F565 PolarHBondContact O-N 3.2Å; L563-L566 HydrophobicContact CD2-CD2 4.33Å; L563-L566 PolarHBondContact O-N 3.22Å; L563-N567 VanDerWaalsContact O-CB 3.3Å; L563-N567 WeakPolarHBondContact O-CB 3.31Å; L563-N567 VanDerWaalsContact O-CG 3.29Å; L563-N567 PolarHBondContact O-N 3.05Å; L563-N567 PolarHBondContact O-OD1 2.83Å; L563-N567 VanDerWaalsContact O-OD1 3.1Å
564	K	94.1	Very high	93.3	Very high	72 Å²	72	46.6 Å²	46.6	31%	0.313	23%	0.23	S	C	.	.	H	α-helix	trans	-60.5	-43.7	174	-77.9	175.8	-176	178.9	0	112	I520 E560 K561 R568	I520-K564 HydrophobicContact CD1-CG 3.77Å; I520-K564 HydrophobicContact CG1-CG 4.37Å; I520-K564 HydrophobicContact CG2-CG 4.34Å; E560-K564 HydrophobicContact CG-CD 4.35Å; E560-K564 WeakPolarHBondContact O-CB 3.41Å; E560-K564 WeakPolarHBondContact O-CG 3.49Å; E560-K564 PolarHBondContact O-N 2.8Å; E560-K564 VanDerWaalsContact OE1-CE 3.28Å; E560-K564 WeakPolarHBondContact OE1-CE 3.07Å; E560-K564 IonicContact OE1-NZ 3.76Å; E560-K564 PolarHBondContact OE1-NZ 2.76Å; K561-K564 PolarHBondContact O-N 3.06Å; K564-R568 WeakPolarHBondContact O-CB 3.07Å; K564-R568 PolarHBondContact O-N 3.44Å; K564-R568 VanDerWaalsContact O-N 3.12Å
565	F	92.3	Very high	93.6	Very high	82 Å²	82	43.1 Å²	43.1	36%	0.36	21%	0.207	S	C	.	.	H	α-helix	trans	-62.4	-46.1	174.6	171	-94.6	0	0	0	111.5	K561 L562 L563 N569 L589 L592 L599	K561-F565 PolarHBondContact O-N 3.41Å; L562-F565 PolarHBondContact O-N 3.03Å; L563-F565 VanDerWaalsContact C-N 3.33Å; L563-F565 PolarHBondContact O-N 3.2Å; F565-N569 VanDerWaalsContact CE2-ND2 3.27Å; F565-N569 WeakPolarHBondContact CE2-ND2 3.36Å; F565-N569 WeakPolarHBondContact CZ-ND2 3.18Å; F565-N569 PolarHBondContact O-N 3.11Å; F565-N569 PolarHBondContact O-ND2 2.88Å; F565-L589 HydrophobicContact CE1-CD2 4.49Å; F565-L592 HydrophobicContact CZ-CD1 4.15Å; F565-L599 HydrophobicContact CE2-CD2 4.02Å; F565-L599 HydrophobicContact CZ-CD2 3.73Å
566	L	94.5	Very high	93.6	Very high	28 Å²	28	39.8 Å²	39.8	15%	0.147	18%	0.184	C	C	.	.	H	α-helix	trans	-60.9	-51.6	178.4	179.2	57.1	0	0	0	111.7	L562 L563 R568 N569 A570 L589	L562-L566 WeakPolarHBondContact O-CB 3.4Å; L562-L566 PolarHBondContact O-N 2.93Å; L563-L566 HydrophobicContact CD2-CD2 4.33Å; L563-L566 PolarHBondContact O-N 3.22Å; L566-R568 PolarHBondContact O-N 2.82Å; L566-N569 PolarHBondContact O-N 3.37Å; L566-A570 VanDerWaalsContact O-CB 3.27Å; L566-A570 WeakPolarHBondContact O-CB 3.43Å; L566-A570 PolarHBondContact O-N 3.34Å; L566-L589 HydrophobicContact CD1-CD1 3.45Å; L566-L589 VanDerWaalsContact CD1-CD1 3.45Å; L566-L589 HydrophobicContact CD1-CD2 3.82Å; L566-L589 HydrophobicContact CD1-CG 3.4Å; L566-L589 HydrophobicContact CD2-CD1 4.41Å
567	N	95.1	Very high	93.7	Very high	1 Å²	1	40 Å²	40	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-56.2	-48.8	-179.3	-79.9	28.4	0	0	0	111.6	G516 I520 L563 N569 A570 F571 F581	G516-N567 WeakPolarHBondContact CA-ND2 3.49Å; G516-N567 PolarHBondContact O-ND2 3.28Å; I520-N567 HydrophobicContact CD1-CB 4.15Å; I520-N567 WeakPolarHBondContact CD1-ND2 3.32Å; L563-N567 VanDerWaalsContact O-CB 3.3Å; L563-N567 WeakPolarHBondContact O-CB 3.31Å; L563-N567 VanDerWaalsContact O-CG 3.29Å; L563-N567 PolarHBondContact O-N 3.05Å; L563-N567 PolarHBondContact O-OD1 2.83Å; L563-N567 VanDerWaalsContact O-OD1 3.1Å; N567-N569 VanDerWaalsContact C-N 3.32Å; N567-N569 PolarHBondContact O-N 2.93Å; N567-A570 PolarHBondContact O-N 3.09Å; N567-F571 HydrophobicContact CB-CD2 4.26Å; N567-F571 HydrophobicContact CB-CE2 3.83Å; N567-F571 WeakPolarHBondContact O-CB 3.1Å; N567-F571 WeakPolarHBondContact O-CD2 3.5Å; N567-F571 VanDerWaalsContact O-CG 3.25Å; N567-F571 WeakPolarHBondContact O-CG 3.18Å; N567-F571 PolarHBondContact O-N 2.86Å; N567-F581 VanDerWaalsContact OD1-CZ 3.26Å; N567-F581 WeakPolarHBondContact OD1-CZ 3.33Å
568	R	95.5	Very high	93.8	Very high	43 Å²	43	34.9 Å²	34.9	16%	0.162	17%	0.169	C	C	.	.	H	α-helix	trans	-55	-49.5	-180	-176.4	177.3	179.3	-176	-7.8	110.9	K564 L566 I572 E674 M675 D678	K564-R568 WeakPolarHBondContact O-CB 3.07Å; K564-R568 PolarHBondContact O-N 3.44Å; K564-R568 VanDerWaalsContact O-N 3.12Å; L566-R568 PolarHBondContact O-N 2.82Å; R568-I572 WeakPolarHBondContact O-CG1 3.43Å; R568-I572 PolarHBondContact O-N 3.09Å; R568-E674 PolarHBondContact NH2-O 3.13Å; R568-M675 HydrophobicContact CG-CE 4.37Å; R568-M675 HydrophobicContact CG-SD 4.09Å; R568-D678 IonicContact CZ-OD2 3.97Å; R568-D678 IonicContact NE-OD2 3.17Å; R568-D678 PolarHBondContact NE-OD2 2.83Å; R568-D678 IonicContact NH1-OD2 3.92Å; R568-D678 PolarHBondContact NH1-OD2 3.26Å; R568-D678 IonicContact NH2-OD1 2.94Å; R568-D678 IonicContact NH2-OD2 3.98Å; R568-D678 PolarHBondContact NH2-OD2 3.38Å
569	N	95.7	Very high	93.8	Very high	5 Å²	5	32.5 Å²	32.5	3%	0.027	16%	0.155	C	C	.	.	H	α-helix	trans	-71.8	-37.1	-179.3	-69.4	-68.7	0	0	0	113	F565 L566 N567 I572 V573 A588 L592	F565-N569 VanDerWaalsContact CE2-ND2 3.27Å; F565-N569 WeakPolarHBondContact CE2-ND2 3.36Å; F565-N569 WeakPolarHBondContact CZ-ND2 3.18Å; F565-N569 PolarHBondContact O-N 3.11Å; F565-N569 PolarHBondContact O-ND2 2.88Å; L566-N569 PolarHBondContact O-N 3.37Å; N567-N569 VanDerWaalsContact C-N 3.32Å; N567-N569 PolarHBondContact O-N 2.93Å; N569-I572 PolarHBondContact O-N 3.45Å; N569-V573 PolarHBondContact O-N 3.2Å; N569-A588 HydrophobicContact CB-CB 4.1Å; N569-L592 HydrophobicContact CB-CD1 3.7Å; N569-L592 WeakPolarHBondContact OD1-CD1 3.22Å
570	A	96.5	Very high	93.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-61.7	-45.7	174.9	0	0	0	0	0	111.1	L566 N567 I572 V573 V574 F581 S585	L566-A570 VanDerWaalsContact O-CB 3.27Å; L566-A570 WeakPolarHBondContact O-CB 3.43Å; L566-A570 PolarHBondContact O-N 3.34Å; N567-A570 PolarHBondContact O-N 3.09Å; A570-I572 VanDerWaalsContact C-N 3.26Å; A570-I572 PolarHBondContact O-N 2.99Å; A570-V573 WeakPolarHBondContact O-CB 3.45Å; A570-V573 PolarHBondContact O-N 3.47Å; A570-V574 WeakPolarHBondContact O-CG2 3.37Å; A570-V574 PolarHBondContact O-N 3.23Å; A570-F581 HydrophobicContact CB-CD2 4.39Å; A570-F581 HydrophobicContact CB-CE2 3.95Å; A570-F581 HydrophobicContact CB-CZ 4.3Å; A570-S585 VanDerWaalsContact CB-OG 3.25Å; A570-S585 WeakPolarHBondContact CB-OG 3.4Å
571	F	96.6	Very high	93.9	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-63	-30.6	178.3	-67	-43.5	0	0	0	113	S470 M474 L513 N567 V574 A575 F581	S470-F571 VanDerWaalsContact CB-CE2 3.4Å; S470-F571 VanDerWaalsContact OG-CE2 3.31Å; S470-F571 WeakPolarHBondContact OG-CE2 3.21Å; M474-F571 HydrophobicContact CB-CB 4.16Å; M474-F571 HydrophobicContact CG-CB 4.09Å; M474-F571 HydrophobicContact SD-CB 4.29Å; M474-F571 HydrophobicContact SD-CD1 3.99Å; M474-F571 HydrophobicContact SD-CG 4.47Å; L513-F571 HydrophobicContact CD2-CD1 4.09Å; L513-F571 HydrophobicContact CD2-CE1 3.92Å; L513-F571 HydrophobicContact CD2-CZ 4.25Å; N567-F571 HydrophobicContact CB-CD2 4.26Å; N567-F571 HydrophobicContact CB-CE2 3.83Å; N567-F571 WeakPolarHBondContact O-CB 3.1Å; N567-F571 WeakPolarHBondContact O-CD2 3.5Å; N567-F571 VanDerWaalsContact O-CG 3.25Å; N567-F571 WeakPolarHBondContact O-CG 3.18Å; N567-F571 PolarHBondContact O-N 2.86Å; F571-V574 PolarHBondContact O-N 3.17Å; F571-A575 VanDerWaalsContact O-CB 3.23Å; F571-A575 WeakPolarHBondContact O-CB 3.44Å; F571-A575 PolarHBondContact O-N 2.92Å; F571-F581 HydrophobicContact CD1-CD2 4.21Å; F571-F581 HydrophobicContact CD1-CE2 4.3Å; F571-F581 AromaticContact CE1-CD2 3.62Å; F571-F581 HydrophobicContact CE1-CD2 3.62Å; F571-F581 AromaticContact CE1-CE2 3.71Å; F571-F581 HydrophobicContact CE1-CE2 3.71Å; F571-F581 HydrophobicContact CZ-CD2 4.19Å; F571-F581 AromaticContact CZ-CE2 3.86Å; F571-F581 HydrophobicContact CZ-CE2 3.86Å
572	I	96	Very high	94	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62.6	-47.1	170.9	-61.6	164.9	0	0	0	110.4	A477 R568 N569 A570 V574 A575 I576 M675 D678 T679 L682	A477-I572 HydrophobicContact CB-CB 4.27Å; A477-I572 HydrophobicContact CB-CG1 3.87Å; A477-I572 HydrophobicContact CB-CG2 4.47Å; R568-I572 WeakPolarHBondContact O-CG1 3.43Å; R568-I572 PolarHBondContact O-N 3.09Å; N569-I572 PolarHBondContact O-N 3.45Å; A570-I572 VanDerWaalsContact C-N 3.26Å; A570-I572 PolarHBondContact O-N 2.99Å; I572-V574 PolarHBondContact O-N 3.31Å; I572-A575 WeakPolarHBondContact O-CB 3.43Å; I572-A575 PolarHBondContact O-N 3.29Å; I572-A575 VanDerWaalsContact O-N 3.13Å; I572-I576 HydrophobicContact CG2-CD1 3.97Å; I572-I576 WeakPolarHBondContact O-CG1 3.39Å; I572-I576 PolarHBondContact O-N 3.04Å; I572-M675 HydrophobicContact CD1-CE 3.6Å; I572-M675 HydrophobicContact CG1-CE 3.38Å; I572-D678 HydrophobicContact CD1-CB 3.96Å; I572-T679 HydrophobicContact CG2-CG2 4.05Å; I572-L682 HydrophobicContact CB-CD2 3.77Å; I572-L682 HydrophobicContact CG2-CB 4.01Å; I572-L682 HydrophobicContact CG2-CD2 3.43Å; I572-L682 VanDerWaalsContact CG2-CD2 3.43Å; I572-L682 HydrophobicContact CG2-CG 4.35Å
573	V	94.9	Very high	94.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63.8	-40.9	177.7	178.4	0	0	0	0	111.7	N569 A570 A575 I576 Y577 A584 A588 L682	N569-V573 PolarHBondContact O-N 3.2Å; A570-V573 WeakPolarHBondContact O-CB 3.45Å; A570-V573 PolarHBondContact O-N 3.47Å; V573-A575 VanDerWaalsContact C-N 3.31Å; V573-A575 PolarHBondContact O-N 3.01Å; V573-I576 PolarHBondContact O-N 2.75Å; V573-Y577 HydrophobicContact CG1-CD2 3.85Å; V573-Y577 HydrophobicContact CG1-CE2 4.46Å; V573-Y577 PolarHBondContact O-N 3.49Å; V573-A584 HydrophobicContact CB-CB 3.94Å; V573-A584 HydrophobicContact CG1-CB 3.83Å; V573-A588 HydrophobicContact CG2-CB 3.67Å; V573-L682 HydrophobicContact CG2-CD2 3.51Å
574	V	95	Very high	94.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-60.4	-42.7	172	179	0	0	0	0	110.4	R24 M474 H509 A570 F571 I572 I576 G578 Q579 A584	R24-V574 PolarHBondContact NH1-O 3.41Å; M474-V574 HydrophobicContact CE-CG1 4.15Å; M474-V574 HydrophobicContact SD-CB 4Å; M474-V574 HydrophobicContact SD-CG1 3.69Å; H509-V574 HydrophobicContact CB-CG1 4.42Å; A570-V574 WeakPolarHBondContact O-CG2 3.37Å; A570-V574 PolarHBondContact O-N 3.23Å; F571-V574 PolarHBondContact O-N 3.17Å; I572-V574 PolarHBondContact O-N 3.31Å; V574-I576 VanDerWaalsContact C-N 3.29Å; V574-I576 PolarHBondContact O-N 3.44Å; V574-G578 VanDerWaalsContact O-CA 3.24Å; V574-G578 WeakPolarHBondContact O-CA 3.34Å; V574-G578 PolarHBondContact O-N 3.35Å; V574-Q579 WeakPolarHBondContact CG2-O 3.39Å; V574-A584 HydrophobicContact CG2-CB 3.4Å; V574-A584 VanDerWaalsContact CG2-CB 3.4Å
575	A	94.4	Very high	94.2	Very high	4 Å²	4	21.1 Å²	21.1	3%	0.033	12%	0.115	C	C	.	.	H	α-helix	trans	-64.9	-31.3	178.6	0	0	0	0	0	112.8	R24 M474 A477 F571 I572 V573	R24-A575 PolarHBondContact NH1-O 3.4Å; R24-A575 PolarHBondContact NH2-O 2.84Å; M474-A575 HydrophobicContact CG-CB 3.93Å; A477-A575 HydrophobicContact CB-CB 3.71Å; F571-A575 VanDerWaalsContact O-CB 3.23Å; F571-A575 WeakPolarHBondContact O-CB 3.44Å; F571-A575 PolarHBondContact O-N 2.92Å; I572-A575 WeakPolarHBondContact O-CB 3.43Å; I572-A575 PolarHBondContact O-N 3.29Å; I572-A575 VanDerWaalsContact O-N 3.13Å; V573-A575 VanDerWaalsContact C-N 3.31Å; V573-A575 PolarHBondContact O-N 3.01Å
576	I	91.4	Very high	94.3	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-79.1	-55.5	175.8	-60.5	163.6	0	0	0	110.7	P20 V21 R24 A481 F485 I572 V573 V574	P20-I576 VanDerWaalsContact CA-O 3.29Å; P20-I576 WeakPolarHBondContact CA-O 3.43Å; V21-I576 PolarHBondContact N-O 2.88Å; V21-I576 VanDerWaalsContact N-O 3.12Å; R24-I576 PolarHBondContact NH2-O 3.27Å; A481-I576 HydrophobicContact CB-CG1 3.77Å; F485-I576 HydrophobicContact CE2-CG2 4.27Å; I572-I576 HydrophobicContact CG2-CD1 3.97Å; I572-I576 WeakPolarHBondContact O-CG1 3.39Å; I572-I576 PolarHBondContact O-N 3.04Å; V573-I576 PolarHBondContact O-N 2.75Å; V574-I576 VanDerWaalsContact C-N 3.29Å; V574-I576 PolarHBondContact O-N 3.44Å
577	Y	90.9	Very high	94.3	Very high	51 Å²	51	27.1 Å²	27.1	20%	0.2	14%	0.14	C	C	.	.	H	α-helix	trans	-101.9	-15.3	-166.1	-61.3	-60.3	0	0	0	115.2	V573 Q579 E686 K690	V573-Y577 HydrophobicContact CG1-CD2 3.85Å; V573-Y577 HydrophobicContact CG1-CE2 4.46Å; V573-Y577 PolarHBondContact O-N 3.49Å; Y577-Q579 VanDerWaalsContact C-N 3.3Å; Y577-E686 HydrophobicContact CE2-CG 4.4Å; Y577-E686 VanDerWaalsContact OH-CD 3.3Å; Y577-E686 PolarHBondContact OH-OE2 3.3Å; Y577-K690 PolarHBondContact OH-NZ 3.27Å
578	G	90.7	Very high	94.3	Very high	14 Å²	14	27.1 Å²	27.1	14%	0.144	14%	0.14	C	C	.	.			trans	69	26.8	-175.5	0	0	0	0	0	113.8	T27 V574	T27-G578 VanDerWaalsContact CG2-O 3.25Å; T27-G578 WeakPolarHBondContact CG2-O 3.3Å; V574-G578 VanDerWaalsContact O-CA 3.24Å; V574-G578 WeakPolarHBondContact O-CA 3.34Å; V574-G578 PolarHBondContact O-N 3.35Å
579	Q	91.2	Very high	94.3	Very high	65 Å²	65	28.6 Å²	28.6	30%	0.304	15%	0.151	S	C	.	.			trans	-78.9	163.2	177.7	-66.7	176.5	-1.2	0	0	112.1	V574 Y577 A584	V574-Q579 WeakPolarHBondContact CG2-O 3.39Å; Y577-Q579 VanDerWaalsContact C-N 3.3Å; Q579-A584 HydrophobicContact CB-CB 4.45Å
580	S	93.4	Very high	94.2	Very high	47 Å²	47	30.7 Å²	30.7	33%	0.329	17%	0.166	S	C	.	.			trans	-64	155.3	170.4	60.4	0	0	0	0	112.1	D28 C582 S583 A584	D28-S580 WeakPolarHBondContact OD1-CB 3.35Å; S580-C582 PolarHBondContact O-N 3.1Å; S580-S583 PolarHBondContact O-N 3Å; S580-A584 VanDerWaalsContact O-CB 3.31Å; S580-A584 WeakPolarHBondContact O-CB 3.45Å; S580-A584 PolarHBondContact O-N 2.76Å
581	F	94.7	Very high	94.1	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.018	17%	0.167	C	C	.	.	H	α-helix	trans	-56.9	-45.1	-172.7	178.6	-89.8	0	0	0	113.2	D28 F515 L519 N567 A570 F571 A584 S585	D28-F581 WeakPolarHBondContact OD2-CB 3.48Å; D28-F581 PolarHBondContact OD2-N 3.31Å; F515-F581 HydrophobicContact CD1-CB 3.98Å; F515-F581 AromaticContact CD1-CD1 3.33Å; F515-F581 HydrophobicContact CD1-CD1 3.33Å; F515-F581 HydrophobicContact CD1-CE1 4.02Å; F515-F581 AromaticContact CD1-CG 3.8Å; F515-F581 HydrophobicContact CD1-CG 3.8Å; F515-F581 AromaticContact CE1-CD1 3.55Å; F515-F581 HydrophobicContact CE1-CD1 3.55Å; F515-F581 HydrophobicContact CE1-CE1 4.05Å; F515-F581 HydrophobicContact CE1-CG 4.43Å; L519-F581 HydrophobicContact CD1-CE1 4.23Å; N567-F581 VanDerWaalsContact OD1-CZ 3.26Å; N567-F581 WeakPolarHBondContact OD1-CZ 3.33Å; A570-F581 HydrophobicContact CB-CD2 4.39Å; A570-F581 HydrophobicContact CB-CE2 3.95Å; A570-F581 HydrophobicContact CB-CZ 4.3Å; F571-F581 HydrophobicContact CD1-CD2 4.21Å; F571-F581 HydrophobicContact CD1-CE2 4.3Å; F571-F581 AromaticContact CE1-CD2 3.62Å; F571-F581 HydrophobicContact CE1-CD2 3.62Å; F571-F581 AromaticContact CE1-CE2 3.71Å; F571-F581 HydrophobicContact CE1-CE2 3.71Å; F571-F581 HydrophobicContact CZ-CD2 4.19Å; F571-F581 AromaticContact CZ-CE2 3.86Å; F571-F581 HydrophobicContact CZ-CE2 3.86Å; F581-A584 PolarHBondContact O-N 3.09Å; F581-S585 WeakPolarHBondContact CE1-OG 3.4Å; F581-S585 VanDerWaalsContact O-CB 3.29Å; F581-S585 WeakPolarHBondContact O-CB 3.48Å; F581-S585 PolarHBondContact O-N 3.31Å; F581-S585 PolarHBondContact O-OG 3.47Å
582	C	93.9	Very high	94	Very high	36 Å²	36	31.1 Å²	31.1	24%	0.243	17%	0.168	C	C	.	.	H	α-helix	trans	-68.3	-41.3	-178	-66.9	0	0	0	0	112.4	C4 F515 S580 S585 R586	C4-C582 VanDerWaalsContact SG-SG 3.61Å; F515-C582 VanDerWaalsContact CE1-SG 3.56Å; S580-C582 PolarHBondContact O-N 3.1Å; C582-S585 PolarHBondContact O-N 3.31Å; C582-R586 PolarHBondContact O-N 3.36Å; C582-R586 VanDerWaalsContact O-N 3.08Å
583	S	94.2	Very high	93.8	Very high	53 Å²	53	34.4 Å²	34.4	37%	0.371	20%	0.195	S	C	.	.	H	α-helix	trans	-63.2	-47.1	176.3	-174.1	0	0	0	0	110.5	S580 S585 R586 S587	S580-S583 PolarHBondContact O-N 3Å; S583-S585 VanDerWaalsContact C-N 3.34Å; S583-S585 PolarHBondContact O-N 3.35Å; S583-R586 PolarHBondContact O-N 3.11Å; S583-S587 PolarHBondContact O-N 2.87Å; S583-S587 PolarHBondContact O-OG 3.21Å
584	A	95.5	Very high	93.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.6	-41.4	176.5	0	0	0	0	0	112.5	V573 V574 Q579 S580 F581 S587 A588	V573-A584 HydrophobicContact CB-CB 3.94Å; V573-A584 HydrophobicContact CG1-CB 3.83Å; V574-A584 HydrophobicContact CG2-CB 3.4Å; V574-A584 VanDerWaalsContact CG2-CB 3.4Å; Q579-A584 HydrophobicContact CB-CB 4.45Å; S580-A584 VanDerWaalsContact O-CB 3.31Å; S580-A584 WeakPolarHBondContact O-CB 3.45Å; S580-A584 PolarHBondContact O-N 2.76Å; F581-A584 PolarHBondContact O-N 3.09Å; A584-S587 PolarHBondContact O-N 2.68Å; A584-A588 VanDerWaalsContact O-CB 3.27Å; A584-A588 WeakPolarHBondContact O-CB 3.38Å; A584-A588 PolarHBondContact O-N 3.2Å
585	S	95.1	Very high	93.8	Very high	9 Å²	9	43.5 Å²	43.5	6%	0.063	23%	0.232	C	C	.	.	H	α-helix	trans	-60	-45.6	176.4	-66.8	0	0	0	0	112.2	A570 F581 C582 S583 L589	A570-S585 VanDerWaalsContact CB-OG 3.25Å; A570-S585 WeakPolarHBondContact CB-OG 3.4Å; F581-S585 WeakPolarHBondContact CE1-OG 3.4Å; F581-S585 VanDerWaalsContact O-CB 3.29Å; F581-S585 WeakPolarHBondContact O-CB 3.48Å; F581-S585 PolarHBondContact O-N 3.31Å; F581-S585 PolarHBondContact O-OG 3.47Å; C582-S585 PolarHBondContact O-N 3.31Å; S583-S585 VanDerWaalsContact C-N 3.34Å; S583-S585 PolarHBondContact O-N 3.35Å; S585-L589 WeakPolarHBondContact O-CB 3.31Å; S585-L589 WeakPolarHBondContact O-CG 3.08Å; S585-L589 PolarHBondContact O-N 2.74Å
586	R	95.7	Very high	93.8	Very high	191 Å²	191	47.4 Å²	47.4	72%	0.721	26%	0.255	S	S	*	.	H	α-helix	trans	-64	-45.5	178.5	-176.5	179.6	-180	-178.4	-0.5	111.4	C582 S583 S590	C582-R586 PolarHBondContact O-N 3.36Å; C582-R586 VanDerWaalsContact O-N 3.08Å; S583-R586 PolarHBondContact O-N 3.11Å; R586-S590 WeakPolarHBondContact O-CB 3.48Å; R586-S590 PolarHBondContact O-N 3.34Å
587	S	93.8	Very high	93.9	Very high	46 Å²	46	50.9 Å²	50.9	32%	0.322	28%	0.277	S	S	.	.	H	α-helix	trans	-61.9	-49.5	178.4	-60.9	0	0	0	0	111.2	S583 A584 L589 S590 L591	S583-S587 PolarHBondContact O-N 2.87Å; S583-S587 PolarHBondContact O-OG 3.21Å; A584-S587 PolarHBondContact O-N 2.68Å; S587-L589 PolarHBondContact O-N 3.43Å; S587-S590 PolarHBondContact O-N 3.11Å; S587-L591 WeakPolarHBondContact O-CB 3.4Å; S587-L591 PolarHBondContact O-N 2.79Å
588	A	95.3	Very high	94	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-57	-49.9	177.3	0	0	0	0	0	112	N569 V573 A584 S590 L591 L592	N569-A588 HydrophobicContact CB-CB 4.1Å; V573-A588 HydrophobicContact CG2-CB 3.67Å; A584-A588 VanDerWaalsContact O-CB 3.27Å; A584-A588 WeakPolarHBondContact O-CB 3.38Å; A584-A588 PolarHBondContact O-N 3.2Å; A588-S590 PolarHBondContact O-N 2.89Å; A588-L591 PolarHBondContact O-N 2.68Å; A588-L592 VanDerWaalsContact O-CB 3.31Å; A588-L592 WeakPolarHBondContact O-CB 3.47Å; A588-L592 WeakPolarHBondContact O-CG 3.39Å; A588-L592 PolarHBondContact O-N 3.12Å
589	L	94.8	Very high	94.2	Very high	74 Å²	74	51 Å²	51	39%	0.387	27%	0.274	S	S	.	.	H	α-helix	trans	-61.7	-44.3	179.1	-78.7	174.1	0	0	0	112.3	F565 L566 S585 S587 L591 L592 A593	F565-L589 HydrophobicContact CE1-CD2 4.49Å; L566-L589 HydrophobicContact CD1-CD1 3.45Å; L566-L589 VanDerWaalsContact CD1-CD1 3.45Å; L566-L589 HydrophobicContact CD1-CD2 3.82Å; L566-L589 HydrophobicContact CD1-CG 3.4Å; L566-L589 HydrophobicContact CD2-CD1 4.41Å; S585-L589 WeakPolarHBondContact O-CB 3.31Å; S585-L589 WeakPolarHBondContact O-CG 3.08Å; S585-L589 PolarHBondContact O-N 2.74Å; S587-L589 PolarHBondContact O-N 3.43Å; L589-L591 VanDerWaalsContact C-N 3.34Å; L589-L591 PolarHBondContact O-N 3.07Å; L589-L592 PolarHBondContact O-N 3.13Å; L589-A593 WeakPolarHBondContact O-CB 3.48Å; L589-A593 PolarHBondContact O-N 3.3Å
590	S	94.6	Very high	94.2	Very high	49 Å²	49	53.6 Å²	53.6	34%	0.343	28%	0.284	S	S	.	.	H	α-helix	trans	-63.4	-41.2	-179.3	-171.5	0	0	0	0	111.9	R586 S587 A588 R594	R586-S590 WeakPolarHBondContact O-CB 3.48Å; R586-S590 PolarHBondContact O-N 3.34Å; S587-S590 PolarHBondContact O-N 3.11Å; A588-S590 PolarHBondContact O-N 2.89Å; S590-R594 WeakPolarHBondContact O-CG 3.48Å; S590-R594 PolarHBondContact O-N 3.37Å; S590-R594 PolarHBondContact O-NE 3.42Å; S590-R594 VanDerWaalsContact O-NE 3.12Å; S590-R594 PolarHBondContact OG-NH2 3.31Å
591	L	93.6	Very high	94.3	Very high	5 Å²	5	51.6 Å²	51.6	3%	0.026	27%	0.27	C	S	.	.	H	α-helix	trans	-67.4	-45.2	178.4	-177.8	59.9	0	0	0	112	S587 A588 L589 N595 L682 L685 E686 E689	S587-L591 WeakPolarHBondContact O-CB 3.4Å; S587-L591 PolarHBondContact O-N 2.79Å; A588-L591 PolarHBondContact O-N 2.68Å; L589-L591 VanDerWaalsContact C-N 3.34Å; L589-L591 PolarHBondContact O-N 3.07Å; L591-N595 PolarHBondContact O-N 2.8Å; L591-N595 PolarHBondContact O-ND2 3.46Å; L591-L682 HydrophobicContact CD2-CD1 4.19Å; L591-L682 HydrophobicContact CD2-CG 4.34Å; L591-L685 HydrophobicContact CD1-CB 3.96Å; L591-L685 HydrophobicContact CD2-CB 3.8Å; L591-L685 HydrophobicContact CG-CB 3.91Å; L591-L685 HydrophobicContact CG-CD1 4.18Å; L591-E686 HydrophobicContact CD2-CG 3.71Å; L591-E686 WeakPolarHBondContact CD2-OE1 3.28Å; L591-E689 VanDerWaalsContact CD1-OE2 3.32Å; L591-E689 WeakPolarHBondContact CD1-OE2 2.89Å
592	L	94.1	Very high	94.3	Very high	5 Å²	5	51.5 Å²	51.5	3%	0.026	27%	0.27	C	S	.	.	H	α-helix	trans	-71.2	-39.1	-178.4	-69.9	174.1	0	0	0	112.4	F565 N569 A588 L589 R594 N595 V596 L599 F681 L682 L685	F565-L592 HydrophobicContact CZ-CD1 4.15Å; N569-L592 HydrophobicContact CB-CD1 3.7Å; N569-L592 WeakPolarHBondContact OD1-CD1 3.22Å; A588-L592 VanDerWaalsContact O-CB 3.31Å; A588-L592 WeakPolarHBondContact O-CB 3.47Å; A588-L592 WeakPolarHBondContact O-CG 3.39Å; A588-L592 PolarHBondContact O-N 3.12Å; L589-L592 PolarHBondContact O-N 3.13Å; L592-R594 VanDerWaalsContact C-N 3.3Å; L592-R594 PolarHBondContact O-N 2.97Å; L592-N595 CarbonylContact O-C 3.09Å; L592-N595 WeakPolarHBondContact O-CA 3.35Å; L592-N595 PolarHBondContact O-N 3.37Å; L592-V596 WeakPolarHBondContact O-CA 3.36Å; L592-V596 PolarHBondContact O-N 2.85Å; L592-L599 HydrophobicContact CB-CD2 4.16Å; L592-L599 HydrophobicContact CD1-CD2 4.43Å; L592-L599 HydrophobicContact CD2-CD1 4.04Å; L592-L599 HydrophobicContact CD2-CD2 3.99Å; L592-L599 HydrophobicContact CD2-CG 4.42Å; L592-L599 HydrophobicContact CG-CD2 4.42Å; L592-F681 HydrophobicContact CD2-CD1 4.47Å; L592-F681 HydrophobicContact CD2-CE1 4.01Å; L592-L682 HydrophobicContact CD1-CD1 4.14Å; L592-L682 HydrophobicContact CD2-CD1 3.6Å; L592-L682 HydrophobicContact CG-CD1 3.84Å; L592-L685 HydrophobicContact CD2-CD1 4.04Å
593	A	93.7	Very high	94.2	Very high	68 Å²	68	51.7 Å²	51.7	56%	0.562	27%	0.268	S	S	*	.	H	α-helix	trans	-60.4	-40.6	178	0	0	0	0	0	111.8	L589 N595 V596	L589-A593 WeakPolarHBondContact O-CB 3.48Å; L589-A593 PolarHBondContact O-N 3.3Å; A593-N595 PolarHBondContact O-N 2.83Å; A593-V596 PolarHBondContact O-N 3.02Å
594	R	94.9	Very high	94.1	Very high	154 Å²	154	53.4 Å²	53.4	58%	0.581	27%	0.269	S	S	*	.	H	α-helix	trans	-66.3	-21.2	175.4	-69.2	-178.4	-111.9	169.4	-1	113.2	S590 L592 E689	S590-R594 WeakPolarHBondContact O-CG 3.48Å; S590-R594 PolarHBondContact O-N 3.37Å; S590-R594 PolarHBondContact O-NE 3.42Å; S590-R594 VanDerWaalsContact O-NE 3.12Å; S590-R594 PolarHBondContact OG-NH2 3.31Å; L592-R594 VanDerWaalsContact C-N 3.3Å; L592-R594 PolarHBondContact O-N 2.97Å; R594-E689 IonicContact CZ-OE1 2.84Å; R594-E689 IonicContact NH1-OE1 2.75Å; R594-E689 PolarHBondContact NH1-OE1 3.28Å; R594-E689 IonicContact NH2-OE1 3.68Å
595	N	94.1	Very high	93.9	Very high	38 Å²	38	54.4 Å²	54.4	20%	0.203	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.4	25.5	-178.3	-71.5	-81.2	0	0	0	113.2	L591 L592 A593 V597 R598 L599 L685	L591-N595 PolarHBondContact O-N 2.8Å; L591-N595 PolarHBondContact O-ND2 3.46Å; L592-N595 CarbonylContact O-C 3.09Å; L592-N595 WeakPolarHBondContact O-CA 3.35Å; L592-N595 PolarHBondContact O-N 3.37Å; A593-N595 PolarHBondContact O-N 2.83Å; N595-V597 VanDerWaalsContact C-N 3.31Å; N595-V597 PolarHBondContact O-N 2.87Å; N595-V597 VanDerWaalsContact O-N 3.16Å; N595-R598 WeakPolarHBondContact O-CB 3.22Å; N595-R598 PolarHBondContact O-N 3.36Å; N595-L599 PolarHBondContact O-N 3.28Å; N595-L685 HydrophobicContact CB-CD1 3.86Å; N595-L685 HydrophobicContact CB-CD2 3.97Å
596	V	94	Very high	93.9	Very high	85 Å²	85	54.1 Å²	54.1	52%	0.515	27%	0.273	S	S	.	.	H	α-helix	trans	-56.9	-38.4	-168.4	66.7	0	0	0	0	113.9	L592 A593 R598 L599 F600	L592-V596 WeakPolarHBondContact O-CA 3.36Å; L592-V596 PolarHBondContact O-N 2.85Å; A593-V596 PolarHBondContact O-N 3.02Å; V596-R598 PolarHBondContact O-N 3.3Å; V596-L599 PolarHBondContact O-N 3.08Å; V596-F600 WeakPolarHBondContact O-CB 3.25Å; V596-F600 PolarHBondContact O-N 2.82Å
597	V	93.1	Very high	93.7	Very high	75 Å²	75	47.6 Å²	47.6	46%	0.455	25%	0.253	S	S	.	.	H	α-helix	trans	-67.3	-38.3	178.6	-177.9	0	0	0	0	111.3	L339 R342 N595 V601	L339-V597 HydrophobicContact CD2-CG1 4.31Å; R342-V597 HydrophobicContact CG-CG1 4.45Å; N595-V597 VanDerWaalsContact C-N 3.31Å; N595-V597 PolarHBondContact O-N 2.87Å; N595-V597 VanDerWaalsContact O-N 3.16Å; V597-V601 VanDerWaalsContact O-CG2 3.31Å; V597-V601 WeakPolarHBondContact O-CG2 3.27Å; V597-V601 PolarHBondContact O-N 3Å
598	R	93.9	Very high	93.6	Very high	50 Å²	50	47.6 Å²	47.6	19%	0.189	25%	0.247	C	C	.	.	H	α-helix	trans	-67.5	-44.9	176.2	-68.1	179.5	-172.7	-172.2	3.1	110.1	N595 V596 V601 V602 F681	N595-R598 WeakPolarHBondContact O-CB 3.22Å; N595-R598 PolarHBondContact O-N 3.36Å; V596-R598 PolarHBondContact O-N 3.3Å; R598-V601 PolarHBondContact O-N 3.12Å; R598-V602 VanDerWaalsContact O-CG2 3.24Å; R598-V602 WeakPolarHBondContact O-CG2 3.31Å; R598-V602 PolarHBondContact O-N 2.97Å; R598-F681 HydrophobicContact CB-CE2 4.12Å; R598-F681 HydrophobicContact CB-CZ 3.91Å
599	L	93.8	Very high	93.4	Very high	17 Å²	17	47.7 Å²	47.7	9%	0.089	25%	0.247	C	C	.	.	H	α-helix	trans	-55.7	-53.3	176.6	174	64.2	0	0	0	111.1	F565 L592 N595 V596 V601 V602 D603 F681	F565-L599 HydrophobicContact CE2-CD2 4.02Å; F565-L599 HydrophobicContact CZ-CD2 3.73Å; L592-L599 HydrophobicContact CB-CD2 4.16Å; L592-L599 HydrophobicContact CD1-CD2 4.43Å; L592-L599 HydrophobicContact CD2-CD1 4.04Å; L592-L599 HydrophobicContact CD2-CD2 3.99Å; L592-L599 HydrophobicContact CD2-CG 4.42Å; L592-L599 HydrophobicContact CG-CD2 4.42Å; N595-L599 PolarHBondContact O-N 3.28Å; V596-L599 PolarHBondContact O-N 3.08Å; L599-V601 VanDerWaalsContact C-N 3.3Å; L599-V601 PolarHBondContact O-N 3Å; L599-V602 PolarHBondContact O-N 3.45Å; L599-D603 VanDerWaalsContact O-CB 3.31Å; L599-D603 WeakPolarHBondContact O-CB 3.49Å; L599-D603 PolarHBondContact O-N 2.82Å; L599-F681 HydrophobicContact CB-CE1 3.75Å; L599-F681 HydrophobicContact CB-CZ 4.14Å; L599-F681 HydrophobicContact CD1-CD1 3.94Å; L599-F681 HydrophobicContact CD1-CE1 3.64Å; L599-F681 HydrophobicContact CG-CE1 4.3Å
600	F	93.1	Very high	93.3	Very high	119 Å²	119	44.2 Å²	44.2	52%	0.522	23%	0.229	S	C	.	.	H	α-helix	trans	-58.1	-42.6	-178.4	-180	-95.8	0	0	0	112.3	V596 K604	V596-F600 WeakPolarHBondContact O-CB 3.25Å; V596-F600 PolarHBondContact O-N 2.82Å; F600-K604 HydrophobicContact CD1-CG 4.34Å; F600-K604 HydrophobicContact CD2-CG 4.11Å; F600-K604 HydrophobicContact CE1-CG 4.03Å; F600-K604 HydrophobicContact CE2-CD 4.26Å; F600-K604 HydrophobicContact CE2-CG 3.78Å; F600-K604 HydrophobicContact CG-CG 4.39Å; F600-K604 HydrophobicContact CZ-CD 4.32Å; F600-K604 HydrophobicContact CZ-CG 3.75Å; F600-K604 VanDerWaalsContact O-CB 3.32Å; F600-K604 WeakPolarHBondContact O-CB 3.15Å; F600-K604 VanDerWaalsContact O-CG 3.24Å; F600-K604 WeakPolarHBondContact O-CG 3.3Å; F600-K604 PolarHBondContact O-N 3.4Å
601	V	94	Very high	93.2	Very high	6 Å²	6	46.3 Å²	46.3	4%	0.036	23%	0.232	C	C	.	.	H	α-helix	trans	-66.9	-44.5	178.4	173.7	0	0	0	0	111.5	L339 R342 I343 A346 V597 R598 L599 V605	L339-V601 HydrophobicContact CB-CG2 4.21Å; L339-V601 HydrophobicContact CD1-CG2 3.61Å; L339-V601 HydrophobicContact CD2-CG2 4.4Å; L339-V601 HydrophobicContact CG-CG2 4.29Å; R342-V601 HydrophobicContact CB-CB 4.1Å; R342-V601 HydrophobicContact CB-CG1 3.91Å; R342-V601 HydrophobicContact CB-CG2 3.9Å; I343-V601 HydrophobicContact CG1-CG1 3.93Å; A346-V601 HydrophobicContact CB-CG1 4.31Å; V597-V601 VanDerWaalsContact O-CG2 3.31Å; V597-V601 WeakPolarHBondContact O-CG2 3.27Å; V597-V601 PolarHBondContact O-N 3Å; R598-V601 PolarHBondContact O-N 3.12Å; L599-V601 VanDerWaalsContact C-N 3.3Å; L599-V601 PolarHBondContact O-N 3Å; V601-V605 HydrophobicContact CG1-CG2 4.13Å; V601-V605 VanDerWaalsContact O-CB 3.27Å; V601-V605 WeakPolarHBondContact O-CB 3.11Å; V601-V605 WeakPolarHBondContact O-CG2 3.4Å; V601-V605 PolarHBondContact O-N 3.12Å
602	V	94.5	Very high	93.1	Very high	2 Å²	2	48 Å²	48	1%	0.012	24%	0.24	C	C	.	.	H	α-helix	trans	-61.7	-48.6	178.8	172.6	0	0	0	0	110.8	A346 I349 R598 L599 T606 V677 F681	A346-V602 HydrophobicContact CB-CB 4.41Å; A346-V602 HydrophobicContact CB-CG2 3.89Å; I349-V602 HydrophobicContact CD1-CG1 4.34Å; I349-V602 HydrophobicContact CD1-CG2 3.62Å; I349-V602 HydrophobicContact CG2-CG1 4.43Å; R598-V602 VanDerWaalsContact O-CG2 3.24Å; R598-V602 WeakPolarHBondContact O-CG2 3.31Å; R598-V602 PolarHBondContact O-N 2.97Å; L599-V602 PolarHBondContact O-N 3.45Å; V602-T606 VanDerWaalsContact O-CB 3.3Å; V602-T606 WeakPolarHBondContact O-CB 3.37Å; V602-T606 PolarHBondContact O-N 2.82Å; V602-T606 PolarHBondContact O-OG1 3.45Å; V602-V677 HydrophobicContact CG1-CG1 3.47Å; V602-V677 VanDerWaalsContact CG1-CG1 3.47Å; V602-F681 HydrophobicContact CG1-CB 4.45Å; V602-F681 HydrophobicContact CG1-CG 4.4Å; V602-F681 HydrophobicContact CG2-CD2 4.1Å; V602-F681 HydrophobicContact CG2-CE2 4.09Å
603	D	92.6	Very high	93	Very high	40 Å²	40	47.9 Å²	47.9	21%	0.214	24%	0.241	C	C	.	.	H	α-helix	trans	-59.1	-53.8	178.8	-178.9	71.8	0	0	0	110.9	L599 V605 T606 D607	L599-D603 VanDerWaalsContact O-CB 3.31Å; L599-D603 WeakPolarHBondContact O-CB 3.49Å; L599-D603 PolarHBondContact O-N 2.82Å; D603-V605 PolarHBondContact O-N 2.91Å; D603-T606 PolarHBondContact O-N 3.24Å; D603-D607 PolarHBondContact O-N 3.01Å
604	K	91.9	Very high	93	Very high	89 Å²	89	45.8 Å²	45.8	39%	0.387	22%	0.219	S	C	.	.	H	α-helix	trans	-70	-35.7	-175.4	-66	-73.6	153.3	-96.7	0	114.1	F600 T606 D607 F608	F600-K604 HydrophobicContact CD1-CG 4.34Å; F600-K604 HydrophobicContact CD2-CG 4.11Å; F600-K604 HydrophobicContact CE1-CG 4.03Å; F600-K604 HydrophobicContact CE2-CD 4.26Å; F600-K604 HydrophobicContact CE2-CG 3.78Å; F600-K604 HydrophobicContact CG-CG 4.39Å; F600-K604 HydrophobicContact CZ-CD 4.32Å; F600-K604 HydrophobicContact CZ-CG 3.75Å; F600-K604 VanDerWaalsContact O-CB 3.32Å; F600-K604 WeakPolarHBondContact O-CB 3.15Å; F600-K604 VanDerWaalsContact O-CG 3.24Å; F600-K604 WeakPolarHBondContact O-CG 3.3Å; F600-K604 PolarHBondContact O-N 3.4Å; K604-T606 VanDerWaalsContact C-N 3.32Å; K604-D607 IonicContact NZ-OD2 3.82Å; K604-D607 PolarHBondContact NZ-OD2 2.84Å; K604-F608 VanDerWaalsContact O-CB 3.28Å; K604-F608 WeakPolarHBondContact O-CB 3.27Å; K604-F608 PolarHBondContact O-N 3.49Å; K604-F608 VanDerWaalsContact O-N 3.08Å
605	V	92.3	Very high	93	Very high	20 Å²	20	41.9 Å²	41.9	12%	0.121	21%	0.209	C	C	.	.	H	α-helix	trans	-65.1	-41.1	172.9	170.8	0	0	0	0	110	V267 I343 A346 L350 V601 D603 F608 I609	V267-V605 HydrophobicContact CG1-CG1 4.31Å; I343-V605 HydrophobicContact CG1-CG2 4.43Å; A346-V605 HydrophobicContact CB-CB 4.33Å; A346-V605 HydrophobicContact CB-CG1 4.43Å; L350-V605 HydrophobicContact CD1-CG1 4.41Å; V601-V605 HydrophobicContact CG1-CG2 4.13Å; V601-V605 VanDerWaalsContact O-CB 3.27Å; V601-V605 WeakPolarHBondContact O-CB 3.11Å; V601-V605 WeakPolarHBondContact O-CG2 3.4Å; V601-V605 PolarHBondContact O-N 3.12Å; D603-V605 PolarHBondContact O-N 2.91Å; V605-F608 PolarHBondContact O-N 3.03Å; V605-I609 HydrophobicContact CG1-CG1 4.37Å; V605-I609 WeakPolarHBondContact O-CG1 3.44Å; V605-I609 PolarHBondContact O-N 3.29Å
606	T	93.5	Very high	92.9	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.018	22%	0.216	C	C	.	.	H	α-helix	trans	-65.7	-50.5	178.5	-57	0	0	0	0	111.6	L350 V602 D603 K604 F608 I609 L610 F673 E674 V677	L350-T606 WeakPolarHBondContact CD1-OG1 3.18Å; V602-T606 VanDerWaalsContact O-CB 3.3Å; V602-T606 WeakPolarHBondContact O-CB 3.37Å; V602-T606 PolarHBondContact O-N 2.82Å; V602-T606 PolarHBondContact O-OG1 3.45Å; D603-T606 PolarHBondContact O-N 3.24Å; K604-T606 VanDerWaalsContact C-N 3.32Å; T606-F608 VanDerWaalsContact C-N 3.26Å; T606-F608 PolarHBondContact O-N 2.78Å; T606-I609 PolarHBondContact O-N 2.82Å; T606-L610 HydrophobicContact CG2-CD1 3.7Å; T606-L610 HydrophobicContact CG2-CG 4.27Å; T606-L610 WeakPolarHBondContact O-CB 3.35Å; T606-L610 WeakPolarHBondContact O-CG 3.4Å; T606-L610 PolarHBondContact O-N 2.89Å; T606-F673 HydrophobicContact CG2-CD1 4.34Å; T606-F673 HydrophobicContact CG2-CE1 4.47Å; T606-E674 HydrophobicContact CG2-CG 4.37Å; T606-V677 HydrophobicContact CG2-CB 4.21Å; T606-V677 HydrophobicContact CG2-CG1 4.33Å; T606-V677 HydrophobicContact CG2-CG2 3.84Å
607	D	92.9	Very high	93	Very high	55 Å²	55	38.9 Å²	38.9	29%	0.294	19%	0.193	S	C	.	.	H	α-helix	trans	-50.6	-48.5	175.4	-77.6	-15.5	0	0	0	111	D603 K604 F611	D603-D607 PolarHBondContact O-N 3.01Å; K604-D607 IonicContact NZ-OD2 3.82Å; K604-D607 PolarHBondContact NZ-OD2 2.84Å; D607-F611 WeakPolarHBondContact O-CB 3.43Å; D607-F611 PolarHBondContact O-N 3.38Å
608	F	90.7	Very high	93.2	Very high	46 Å²	46	36.3 Å²	36.3	20%	0.202	18%	0.177	C	C	.	.	H	α-helix	trans	-63.9	-48.8	-177.9	179.4	-107.7	0	0	0	112.1	L271 F274 K604 V605 T606 L610 F611 I612	L271-F608 HydrophobicContact CD2-CE1 4.2Å; F274-F608 HydrophobicContact CB-CZ 4.07Å; F274-F608 HydrophobicContact CD1-CZ 4.35Å; F274-F608 AromaticContact CD2-CE2 3.83Å; F274-F608 HydrophobicContact CD2-CE2 3.83Å; F274-F608 AromaticContact CD2-CZ 3.65Å; F274-F608 HydrophobicContact CD2-CZ 3.65Å; F274-F608 HydrophobicContact CE1-CE2 4.46Å; F274-F608 AromaticContact CE2-CE2 3.74Å; F274-F608 HydrophobicContact CE2-CE2 3.74Å; F274-F608 HydrophobicContact CE2-CZ 4.07Å; F274-F608 HydrophobicContact CG-CE2 4.24Å; F274-F608 AromaticContact CG-CZ 3.79Å; F274-F608 HydrophobicContact CG-CZ 3.79Å; F274-F608 HydrophobicContact CZ-CE2 4.05Å; K604-F608 VanDerWaalsContact O-CB 3.28Å; K604-F608 WeakPolarHBondContact O-CB 3.27Å; K604-F608 PolarHBondContact O-N 3.49Å; K604-F608 VanDerWaalsContact O-N 3.08Å; V605-F608 PolarHBondContact O-N 3.03Å; T606-F608 VanDerWaalsContact C-N 3.26Å; T606-F608 PolarHBondContact O-N 2.78Å; F608-L610 PolarHBondContact O-N 3.45Å; F608-F611 WeakPolarHBondContact O-CB 3.46Å; F608-F611 PolarHBondContact O-N 3.04Å; F608-I612 HydrophobicContact CE1-CG1 4.4Å; F608-I612 HydrophobicContact CE2-CD1 4.41Å; F608-I612 HydrophobicContact CE2-CG1 4.38Å; F608-I612 HydrophobicContact CZ-CD1 4.38Å; F608-I612 HydrophobicContact CZ-CG1 4.19Å; F608-I612 WeakPolarHBondContact O-CG1 3.44Å; F608-I612 PolarHBondContact O-N 3.37Å
609	I	91.7	Very high	93.3	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-65.2	-41.7	-178.2	-66.9	-68.7	0	0	0	111.6	L259 V267 T270 V605 T606 I612 G613	L259-I609 HydrophobicContact CD2-CG2 3.64Å; V267-I609 HydrophobicContact CB-CD1 4.32Å; V267-I609 HydrophobicContact CG2-CD1 3.84Å; V267-I609 HydrophobicContact CG2-CG1 4.02Å; T270-I609 HydrophobicContact CG2-CD1 4.22Å; T270-I609 WeakPolarHBondContact OG1-CD1 3.34Å; V605-I609 HydrophobicContact CG1-CG1 4.37Å; V605-I609 WeakPolarHBondContact O-CG1 3.44Å; V605-I609 PolarHBondContact O-N 3.29Å; T606-I609 PolarHBondContact O-N 2.82Å; I609-I612 PolarHBondContact O-N 3.1Å; I609-G613 PolarHBondContact O-N 3.15Å
610	L	92.8	Very high	93.4	Very high	1 Å²	1	41 Å²	41	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-71.5	-32.6	177.6	-64.5	177.7	0	0	0	111.8	L259 T606 F608 G613 K614 F673 E674	L259-L610 HydrophobicContact CD1-CD2 4.15Å; T606-L610 HydrophobicContact CG2-CD1 3.7Å; T606-L610 HydrophobicContact CG2-CG 4.27Å; T606-L610 WeakPolarHBondContact O-CB 3.35Å; T606-L610 WeakPolarHBondContact O-CG 3.4Å; T606-L610 PolarHBondContact O-N 2.89Å; F608-L610 PolarHBondContact O-N 3.45Å; L610-G613 PolarHBondContact O-N 3.08Å; L610-K614 VanDerWaalsContact O-CG 3.3Å; L610-K614 WeakPolarHBondContact O-CG 3.23Å; L610-K614 PolarHBondContact O-N 3.3Å; L610-F673 HydrophobicContact CD1-CB 4.3Å; L610-F673 HydrophobicContact CD1-CD1 3.93Å; L610-F673 HydrophobicContact CD2-CB 4.28Å; L610-F673 HydrophobicContact CD2-CD1 3.89Å; L610-F673 HydrophobicContact CD2-CG 4.17Å; L610-F673 HydrophobicContact CG-CD1 4.32Å; L610-E674 HydrophobicContact CD1-CB 4.44Å; L610-E674 HydrophobicContact CD1-CG 3.3Å
611	F	92.4	Very high	93.5	Very high	94 Å²	94	35.5 Å²	35.5	41%	0.412	19%	0.188	S	C	.	.	H	α-helix	trans	-61.5	-45.6	171.5	177.5	-105	0	0	0	112	D607 F608 G613 K614 L615	D607-F611 WeakPolarHBondContact O-CB 3.43Å; D607-F611 PolarHBondContact O-N 3.38Å; F608-F611 WeakPolarHBondContact O-CB 3.46Å; F608-F611 PolarHBondContact O-N 3.04Å; F611-G613 VanDerWaalsContact C-N 3.3Å; F611-G613 PolarHBondContact O-N 2.03Å; F611-K614 WeakPolarHBondContact O-CB 3.45Å; F611-K614 PolarHBondContact O-N 3.23Å; F611-L615 HydrophobicContact CD1-CD1 4.18Å; F611-L615 HydrophobicContact CD1-CG 4.49Å; F611-L615 HydrophobicContact CE1-CD1 3.51Å; F611-L615 HydrophobicContact CE1-CG 4.05Å; F611-L615 HydrophobicContact CE2-CD2 4.36Å; F611-L615 HydrophobicContact CE2-CG 4.41Å; F611-L615 HydrophobicContact CZ-CD1 3.78Å; F611-L615 HydrophobicContact CZ-CD2 4.07Å; F611-L615 HydrophobicContact CZ-CG 4Å; F611-L615 PolarHBondContact O-N 3.47Å
612	I	90.7	Very high	93.6	Very high	39 Å²	39	35.6 Å²	35.6	20%	0.2	19%	0.189	C	C	.	.	H	α-helix	trans	-60.5	-41.8	174	-64.1	-60.1	0	0	0	110.9	W255 T270 F608 I609 K614 L615 V616	W255-I612 HydrophobicContact CH2-CG2 4.29Å; T270-I612 HydrophobicContact CG2-CG2 4.28Å; F608-I612 HydrophobicContact CE1-CG1 4.4Å; F608-I612 HydrophobicContact CE2-CD1 4.41Å; F608-I612 HydrophobicContact CE2-CG1 4.38Å; F608-I612 HydrophobicContact CZ-CD1 4.38Å; F608-I612 HydrophobicContact CZ-CG1 4.19Å; F608-I612 WeakPolarHBondContact O-CG1 3.44Å; F608-I612 PolarHBondContact O-N 3.37Å; I609-I612 PolarHBondContact O-N 3.1Å; I612-K614 VanDerWaalsContact C-N 3.33Å; I612-K614 PolarHBondContact O-N 3.48Å; I612-L615 PolarHBondContact O-N 3.46Å; I612-L615 VanDerWaalsContact O-N 3.17Å; I612-V616 HydrophobicContact CG2-CG2 4.25Å; I612-V616 WeakPolarHBondContact O-CG2 3.5Å; I612-V616 PolarHBondContact O-N 3.32Å
613	G	91.8	Very high	93.5	Very high	3 Å²	3	37.1 Å²	37.1	3%	0.031	21%	0.206	C	C	.	.	H	α-helix	trans	-56.1	-45.8	174	0	0	0	0	0	113	W255 I609 L610 F611 L615 V616 V617	W255-G613 VanDerWaalsContact CZ2-CA 3.48Å; I609-G613 PolarHBondContact O-N 3.15Å; L610-G613 PolarHBondContact O-N 3.08Å; F611-G613 VanDerWaalsContact C-N 3.3Å; F611-G613 PolarHBondContact O-N 2.03Å; G613-L615 PolarHBondContact O-N 3.03Å; G613-V616 PolarHBondContact O-N 2.95Å; G613-V617 WeakPolarHBondContact O-CG2 3.27Å; G613-V617 PolarHBondContact O-N 3.01Å
614	K	94.5	Very high	93.5	Very high	24 Å²	24	39.7 Å²	39.7	10%	0.104	22%	0.223	C	C	.	.	H	α-helix	trans	-59.3	-45.2	175.3	-65	163.3	-160.9	174.8	0	111.2	L610 F611 I612 V618 Y663 A666 S670 E674	L610-K614 VanDerWaalsContact O-CG 3.3Å; L610-K614 WeakPolarHBondContact O-CG 3.23Å; L610-K614 PolarHBondContact O-N 3.3Å; F611-K614 WeakPolarHBondContact O-CB 3.45Å; F611-K614 PolarHBondContact O-N 3.23Å; I612-K614 VanDerWaalsContact C-N 3.33Å; I612-K614 PolarHBondContact O-N 3.48Å; K614-V618 WeakPolarHBondContact O-CB 3.4Å; K614-V618 WeakPolarHBondContact O-CG2 3.4Å; K614-V618 PolarHBondContact O-N 3.22Å; K614-Y663 HydrophobicContact CB-CD2 4.45Å; K614-Y663 HydrophobicContact CB-CE2 4.29Å; K614-Y663 HydrophobicContact CD-CE2 4.44Å; K614-A666 HydrophobicContact CB-CB 4.26Å; K614-A666 HydrophobicContact CG-CB 3.97Å; K614-S670 WeakPolarHBondContact CE-OG 3.21Å; K614-E674 IonicContact NZ-OE1 3.63Å
615	L	93.9	Very high	93.5	Very high	73 Å²	73	35.6 Å²	35.6	38%	0.382	21%	0.205	S	C	.	.	H	α-helix	trans	-63.5	-44.5	178.1	-66.8	-174.3	0	0	0	112.2	F611 I612 G613 V617 V618 S619	F611-L615 HydrophobicContact CD1-CD1 4.18Å; F611-L615 HydrophobicContact CD1-CG 4.49Å; F611-L615 HydrophobicContact CE1-CD1 3.51Å; F611-L615 HydrophobicContact CE1-CG 4.05Å; F611-L615 HydrophobicContact CE2-CD2 4.36Å; F611-L615 HydrophobicContact CE2-CG 4.41Å; F611-L615 HydrophobicContact CZ-CD1 3.78Å; F611-L615 HydrophobicContact CZ-CD2 4.07Å; F611-L615 HydrophobicContact CZ-CG 4Å; F611-L615 PolarHBondContact O-N 3.47Å; I612-L615 PolarHBondContact O-N 3.46Å; I612-L615 VanDerWaalsContact O-N 3.17Å; G613-L615 PolarHBondContact O-N 3.03Å; L615-V617 PolarHBondContact O-N 2.87Å; L615-V618 PolarHBondContact O-N 3.15Å; L615-S619 VanDerWaalsContact O-CB 3.28Å; L615-S619 WeakPolarHBondContact O-CB 3.38Å; L615-S619 PolarHBondContact O-N 3.24Å; L615-S619 PolarHBondContact O-OG 3.2Å
616	V	93.3	Very high	93.5	Very high	56 Å²	56	39.9 Å²	39.9	34%	0.339	22%	0.22	S	C	.	.	H	α-helix	trans	-60.4	-47	178.8	171.1	0	0	0	0	111.1	W255 I612 G613 S619 I620	W255-V616 HydrophobicContact CZ3-CG2 4.41Å; I612-V616 HydrophobicContact CG2-CG2 4.25Å; I612-V616 WeakPolarHBondContact O-CG2 3.5Å; I612-V616 PolarHBondContact O-N 3.32Å; G613-V616 PolarHBondContact O-N 2.95Å; V616-S619 PolarHBondContact O-N 3.17Å; V616-I620 HydrophobicContact CG1-CD1 3.69Å; V616-I620 HydrophobicContact CG1-CG1 4.49Å; V616-I620 WeakPolarHBondContact O-CB 2.88Å; V616-I620 VanDerWaalsContact O-CG1 3.26Å; V616-I620 WeakPolarHBondContact O-CG1 3.33Å; V616-I620 PolarHBondContact O-N 2.92Å
617	V	95.7	Very high	93.3	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.024	23%	0.232	C	C	.	.	H	α-helix	trans	-60.6	-48.7	177.9	173.8	0	0	0	0	110.8	L251 G613 L615 I620 V621 A666	L251-V617 HydrophobicContact CB-CG1 4.32Å; L251-V617 HydrophobicContact CB-CG2 4.17Å; G613-V617 WeakPolarHBondContact O-CG2 3.27Å; G613-V617 PolarHBondContact O-N 3.01Å; L615-V617 PolarHBondContact O-N 2.87Å; V617-I620 PolarHBondContact O-N 3.01Å; V617-V621 HydrophobicContact CG1-CG2 4.46Å; V617-V621 WeakPolarHBondContact O-CB 3.17Å; V617-V621 VanDerWaalsContact O-CG2 3.31Å; V617-V621 WeakPolarHBondContact O-CG2 3.06Å; V617-V621 PolarHBondContact O-N 2.98Å; V617-A666 HydrophobicContact CB-CB 4.29Å; V617-A666 HydrophobicContact CG1-CB 4.28Å
618	V	96.7	Very high	92.9	Very high	21 Å²	21	42.4 Å²	42.4	13%	0.127	23%	0.231	C	C	.	.	H	α-helix	trans	-65.4	-41.5	-178.5	173.3	0	0	0	0	111.9	K614 L615 G622 I659 Y663	K614-V618 WeakPolarHBondContact O-CB 3.4Å; K614-V618 WeakPolarHBondContact O-CG2 3.4Å; K614-V618 PolarHBondContact O-N 3.22Å; L615-V618 PolarHBondContact O-N 3.15Å; V618-G622 WeakPolarHBondContact O-CA 3.48Å; V618-G622 PolarHBondContact O-N 3.08Å; V618-I659 HydrophobicContact CG1-CG2 3.85Å; V618-Y663 HydrophobicContact CG2-CD2 4.12Å; V618-Y663 HydrophobicContact CG2-CG 4.43Å
619	S	95.5	Very high	92.7	Very high	83 Å²	83	40.6 Å²	40.6	58%	0.58	22%	0.223	S	C	*	.	H	α-helix	trans	-66.5	-40.7	178.9	-67.3	0	0	0	0	112.3	L615 V616 G623	L615-S619 VanDerWaalsContact O-CB 3.28Å; L615-S619 WeakPolarHBondContact O-CB 3.38Å; L615-S619 PolarHBondContact O-N 3.24Å; L615-S619 PolarHBondContact O-OG 3.2Å; V616-S619 PolarHBondContact O-N 3.17Å; S619-G623 WeakPolarHBondContact O-CA 2.99Å; S619-G623 PolarHBondContact O-N 3.1Å
620	I	95.9	Very high	92.2	Very high	81 Å²	81	44.4 Å²	44.4	42%	0.415	24%	0.24	S	C	.	.	H	α-helix	trans	-66.4	-52.6	177.1	-68	169	0	0	0	110.1	L251 V616 V617 G623 V624	L251-I620 HydrophobicContact CD1-CB 4.35Å; L251-I620 HydrophobicContact CD1-CG2 3.88Å; V616-I620 HydrophobicContact CG1-CD1 3.69Å; V616-I620 HydrophobicContact CG1-CG1 4.49Å; V616-I620 WeakPolarHBondContact O-CB 2.88Å; V616-I620 VanDerWaalsContact O-CG1 3.26Å; V616-I620 WeakPolarHBondContact O-CG1 3.33Å; V616-I620 PolarHBondContact O-N 2.92Å; V617-I620 PolarHBondContact O-N 3.01Å; I620-G623 PolarHBondContact O-N 3.12Å; I620-V624 WeakPolarHBondContact O-CB 3.34Å; I620-V624 VanDerWaalsContact O-CG2 3.28Å; I620-V624 WeakPolarHBondContact O-CG2 3.42Å; I620-V624 PolarHBondContact O-N 2.63Å
621	V	96.5	Very high	91.3	Very high	5 Å²	5	44.5 Å²	44.5	3%	0.03	24%	0.242	C	C	.	.	H	α-helix	trans	-67.3	-45.2	-176.2	177.9	0	0	0	0	111.1	C244 V247 L251 V617 A625 I658	C244-V621 HydrophobicContact CB-CG1 3.88Å; V247-V621 HydrophobicContact CG1-CG2 4.31Å; L251-V621 HydrophobicContact CD1-CG2 3.64Å; V617-V621 HydrophobicContact CG1-CG2 4.46Å; V617-V621 WeakPolarHBondContact O-CB 3.17Å; V617-V621 VanDerWaalsContact O-CG2 3.31Å; V617-V621 WeakPolarHBondContact O-CG2 3.06Å; V617-V621 PolarHBondContact O-N 2.98Å; V621-A625 VanDerWaalsContact O-CB 3.25Å; V621-A625 WeakPolarHBondContact O-CB 3.36Å; V621-A625 PolarHBondContact O-N 3.12Å; V621-I658 HydrophobicContact CG1-CG2 3.75Å
622	G	95.3	Very high	90.7	Very high	7 Å²	7	44.1 Å²	44.1	7%	0.072	24%	0.243	C	C	.	.	H	α-helix	trans	-64.9	-39.8	177.2	0	0	0	0	0	112.7	V618 A625 Y626	V618-G622 WeakPolarHBondContact O-CA 3.48Å; V618-G622 PolarHBondContact O-N 3.08Å; G622-A625 PolarHBondContact O-N 3.17Å; G622-Y626 WeakPolarHBondContact O-CB 3.44Å; G622-Y626 PolarHBondContact O-N 3.48Å
623	G	93.3	Very high	89.8	Confident	34 Å²	34	47.2 Å²	47.2	35%	0.351	26%	0.26	S	S	.	.	H	α-helix	trans	-64.6	-47.4	176.3	0	0	0	0	0	112.5	S619 I620 Y626 V627	S619-G623 WeakPolarHBondContact O-CA 2.99Å; S619-G623 PolarHBondContact O-N 3.1Å; I620-G623 PolarHBondContact O-N 3.12Å; G623-Y626 PolarHBondContact O-N 2.9Å; G623-V627 WeakPolarHBondContact O-CG2 3.45Å; G623-V627 PolarHBondContact O-N 2.87Å
624	V	92.4	Very high	88.7	Confident	95 Å²	95	49.6 Å²	49.6	58%	0.576	27%	0.269	S	S	*	.	H	α-helix	trans	-62.6	-43.6	176.2	172.6	0	0	0	0	111	I620 Y626 V627 Y628	I620-V624 WeakPolarHBondContact O-CB 3.34Å; I620-V624 VanDerWaalsContact O-CG2 3.28Å; I620-V624 WeakPolarHBondContact O-CG2 3.42Å; I620-V624 PolarHBondContact O-N 2.63Å; V624-Y626 PolarHBondContact O-N 3.43Å; V624-V627 PolarHBondContact O-N 3.47Å; V624-Y628 WeakPolarHBondContact O-CB 3.4Å; V624-Y628 PolarHBondContact O-N 3.07Å
625	A	92.8	Very high	87.4	Confident	2 Å²	2	57 Å²	57	2%	0.017	30%	0.301	C	S	.	.	H	α-helix	trans	-62.9	-40.7	177	0	0	0	0	0	112.4	V621 G622 Y628 L629 L655 I658	V621-A625 VanDerWaalsContact O-CB 3.25Å; V621-A625 WeakPolarHBondContact O-CB 3.36Å; V621-A625 PolarHBondContact O-N 3.12Å; G622-A625 PolarHBondContact O-N 3.17Å; A625-Y628 PolarHBondContact O-N 3.33Å; A625-L629 WeakPolarHBondContact O-CB 3.34Å; A625-L629 VanDerWaalsContact O-CG 3.25Å; A625-L629 WeakPolarHBondContact O-CG 3.43Å; A625-L629 PolarHBondContact O-N 3.43Å; A625-L655 HydrophobicContact CB-CD1 3.97Å; A625-I658 HydrophobicContact CB-CD1 3.9Å; A625-I658 HydrophobicContact CB-CG2 3.93Å
626	Y	91.1	Very high	86	Confident	110 Å²	110	57.3 Å²	57.3	43%	0.431	32%	0.323	S	S	.	.	H	α-helix	trans	-61.7	-49.8	176.8	174.3	-105.2	0	0	0	111.7	G622 G623 V624 Y628 L629 E630 I632 L655	G622-Y626 WeakPolarHBondContact O-CB 3.44Å; G622-Y626 PolarHBondContact O-N 3.48Å; G623-Y626 PolarHBondContact O-N 2.9Å; V624-Y626 PolarHBondContact O-N 3.43Å; Y626-Y628 PolarHBondContact O-N 3Å; Y626-L629 PolarHBondContact O-N 3.11Å; Y626-E630 HydrophobicContact CD2-CG 3.93Å; Y626-E630 HydrophobicContact CE2-CG 3.5Å; Y626-E630 VanDerWaalsContact CE2-CG 3.5Å; Y626-E630 WeakPolarHBondContact O-CB 3.46Å; Y626-E630 PolarHBondContact O-N 3.34Å; Y626-I632 HydrophobicContact CE1-CD1 4.23Å; Y626-L655 HydrophobicContact CD2-CD2 3.84Å
627	V	88.8	Confident	84.9	Confident	45 Å²	45	59.3 Å²	59.3	27%	0.273	33%	0.332	S	S	.	.	H	α-helix	trans	-62.9	-33.5	179.9	176.3	0	0	0	0	111.5	G623 V624 G631 I632 L633	G623-V627 WeakPolarHBondContact O-CG2 3.45Å; G623-V627 PolarHBondContact O-N 2.87Å; V624-V627 PolarHBondContact O-N 3.47Å; V627-G631 PolarHBondContact O-N 2.9Å; V627-I632 HydrophobicContact CG1-CB 4Å; V627-I632 HydrophobicContact CG1-CG2 4.16Å; V627-I632 PolarHBondContact O-N 3.19Å; V627-I632 VanDerWaalsContact O-N 3.12Å; V627-L633 HydrophobicContact CB-CD1 4.48Å; V627-L633 HydrophobicContact CG1-CB 4.03Å; V627-L633 HydrophobicContact CG1-CD1 3.47Å; V627-L633 VanDerWaalsContact CG1-CD1 3.47Å; V627-L633 HydrophobicContact CG1-CG 4.38Å; V627-L633 PolarHBondContact O-N 3.22Å
628	Y	86	Confident	83.6	Confident	67 Å²	67	67.1 Å²	67.1	26%	0.263	37%	0.368	S	S	.	.	H	α-helix	trans	-70.9	-50.8	174.7	-177.5	-84.2	0	0	0	112.5	I240 V624 A625 Y626 E630 G631 F634 L644	I240-Y628 HydrophobicContact CD1-CD1 4.27Å; I240-Y628 HydrophobicContact CD1-CE1 3.47Å; I240-Y628 VanDerWaalsContact CD1-CE1 3.47Å; I240-Y628 HydrophobicContact CG1-CE1 4.05Å; I240-Y628 HydrophobicContact CG2-CD1 4.49Å; V624-Y628 WeakPolarHBondContact O-CB 3.4Å; V624-Y628 PolarHBondContact O-N 3.07Å; A625-Y628 PolarHBondContact O-N 3.33Å; Y626-Y628 PolarHBondContact O-N 3Å; Y628-E630 VanDerWaalsContact C-N 3.35Å; Y628-E630 PolarHBondContact O-N 3.31Å; Y628-G631 PolarHBondContact O-N 3.03Å; Y628-F634 HydrophobicContact CD2-CE2 4.24Å; Y628-F634 HydrophobicContact CE2-CE2 4.21Å; Y628-L644 HydrophobicContact CE2-CD2 3.65Å; Y628-L644 HydrophobicContact CE2-CG 4.34Å; Y628-L644 WeakPolarHBondContact OH-CD1 3.38Å; Y628-L644 WeakPolarHBondContact OH-CG 3.05Å
629	L	85.6	Confident	82.2	Confident	8 Å²	8	69.9 Å²	69.9	4%	0.042	39%	0.393	C	S	.	.	H	α-helix	trans	-67.9	-33.6	-175.4	-70.2	171.3	0	0	0	112.6	T237 A625 Y626 G631 H645 L648 P654 L655	T237-L629 HydrophobicContact CG2-CD2 4.27Å; A625-L629 WeakPolarHBondContact O-CB 3.34Å; A625-L629 VanDerWaalsContact O-CG 3.25Å; A625-L629 WeakPolarHBondContact O-CG 3.43Å; A625-L629 PolarHBondContact O-N 3.43Å; Y626-L629 PolarHBondContact O-N 3.11Å; L629-G631 PolarHBondContact O-N 3.39Å; L629-H645 PolarHBondContact O-CE1 2.79Å; L629-L648 HydrophobicContact CD2-CD1 3.86Å; L629-P654 HydrophobicContact CD1-CG 4.32Å; L629-L655 HydrophobicContact CD1-CB 4.05Å
630	E	81.8	Confident	80.8	Confident	80 Å²	80	69.8 Å²	69.8	37%	0.374	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	0.6	173.4	-68.2	-68.3	142.9	0	0	112.9	Y626 Y628 I632 H645 S651	Y626-E630 HydrophobicContact CD2-CG 3.93Å; Y626-E630 HydrophobicContact CE2-CG 3.5Å; Y626-E630 VanDerWaalsContact CE2-CG 3.5Å; Y626-E630 WeakPolarHBondContact O-CB 3.46Å; Y626-E630 PolarHBondContact O-N 3.34Å; Y628-E630 VanDerWaalsContact C-N 3.35Å; Y628-E630 PolarHBondContact O-N 3.31Å; E630-I632 HydrophobicContact CB-CD1 3.94Å; E630-I632 HydrophobicContact CB-CG1 3.93Å; E630-I632 PolarHBondContact O-N 3.21Å; E630-H645 VanDerWaalsContact C-CE1 3.4Å; E630-S651 PolarHBondContact OE1-OG 3.22Å
631	G	73.8	Confident	79.3	Confident	4 Å²	4	67.5 Å²	67.5	4%	0.041	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.3	13.9	179.2	0	0	0	0	0	115.1	V627 Y628 L629 L633 F634 K635 H645	V627-G631 PolarHBondContact O-N 2.9Å; Y628-G631 PolarHBondContact O-N 3.03Å; L629-G631 PolarHBondContact O-N 3.39Å; G631-L633 PolarHBondContact O-N 2.03Å; G631-F634 PolarHBondContact O-N 2.87Å; G631-F634 VanDerWaalsContact O-N 3.13Å; G631-K635 PolarHBondContact O-N 3.49Å; G631-H645 VanDerWaalsContact CA-CE1 3.46Å; G631-H645 WeakPolarHBondContact CA-CE1 3.26Å; G631-H645 WeakPolarHBondContact CA-NE2 3.47Å; G631-H645 PolarHBondContact N-CE1 3.23Å; G631-H645 VanDerWaalsContact N-CE1 3.32Å
632	I	79	Confident	77.8	Confident	85 Å²	85	73.6 Å²	73.6	44%	0.436	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-59.6	-33.2	177.3	-63.9	171.1	0	0	0	110	Y626 V627 E630 F634 K635	Y626-I632 HydrophobicContact CE1-CD1 4.23Å; V627-I632 HydrophobicContact CG1-CB 4Å; V627-I632 HydrophobicContact CG1-CG2 4.16Å; V627-I632 PolarHBondContact O-N 3.19Å; V627-I632 VanDerWaalsContact O-N 3.12Å; E630-I632 HydrophobicContact CB-CD1 3.94Å; E630-I632 HydrophobicContact CB-CG1 3.93Å; E630-I632 PolarHBondContact O-N 3.21Å; I632-F634 PolarHBondContact O-N 2.77Å; I632-K635 PolarHBondContact O-N 2.97Å
633	L	72	Confident	76.3	Confident	105 Å²	105	77.2 Å²	77.2	55%	0.55	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-61.5	-29.7	179.7	-146.4	90.6	0	0	0	113.4	V627 G631	V627-L633 HydrophobicContact CB-CD1 4.48Å; V627-L633 HydrophobicContact CG1-CB 4.03Å; V627-L633 HydrophobicContact CG1-CD1 3.47Å; V627-L633 VanDerWaalsContact CG1-CD1 3.47Å; V627-L633 HydrophobicContact CG1-CG 4.38Å; V627-L633 PolarHBondContact O-N 3.22Å; G631-L633 PolarHBondContact O-N 2.03Å
634	F	69.1	Low	74.7	Confident	52 Å²	52	78.9 Å²	78.9	23%	0.228	44%	0.436	C	S	.	.	G	3₁₀ helix	trans	-116.8	15.4	-173.3	-57.2	-71	0	0	0	113.3	Y628 G631 I632 G636 N637 L640 N641 L644	Y628-F634 HydrophobicContact CD2-CE2 4.24Å; Y628-F634 HydrophobicContact CE2-CE2 4.21Å; G631-F634 PolarHBondContact O-N 2.87Å; G631-F634 VanDerWaalsContact O-N 3.13Å; I632-F634 PolarHBondContact O-N 2.77Å; F634-G636 VanDerWaalsContact C-N 3.26Å; F634-G636 PolarHBondContact O-N 3.06Å; F634-N637 PolarHBondContact O-N 3.1Å; F634-N637 VanDerWaalsContact O-N 3.11Å; F634-L640 HydrophobicContact CD1-CD2 3.58Å; F634-L640 HydrophobicContact CD1-CG 4.48Å; F634-L640 HydrophobicContact CE1-CD2 3.69Å; F634-L640 HydrophobicContact CG-CD2 4.42Å; F634-N641 HydrophobicContact CB-CB 4.44Å; F634-L644 HydrophobicContact CD2-CD2 3.79Å; F634-L644 HydrophobicContact CE2-CD2 3.2Å; F634-L644 HydrophobicContact CZ-CD2 3.65Å
635	K	66	Low	73.1	Confident	179 Å²	179	77.2 Å²	77.2	78%	0.778	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	83.5	177.7	-157.9	178.4	-171	178.8	0	110	G631 I632	G631-K635 PolarHBondContact O-N 3.49Å; I632-K635 PolarHBondContact O-N 2.97Å
636	G	65.8	Low	71.7	Confident	81 Å²	81	77.8 Å²	77.8	84%	0.835	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	154.8	-13.6	-175.6	0	0	0	0	0	114.5	F634	F634-G636 VanDerWaalsContact C-N 3.26Å; F634-G636 PolarHBondContact O-N 3.06Å
637	N	69	Low	70.6	Confident	97 Å²	97	80.6 Å²	80.6	52%	0.519	44%	0.443	S	S	.	.			trans	-126	83.5	176.9	-152.6	2.6	0	0	0	109.4	F634 A639 L640 N641	F634-N637 PolarHBondContact O-N 3.1Å; F634-N637 VanDerWaalsContact O-N 3.11Å; N637-A639 PolarHBondContact O-N 3.08Å; N637-L640 HydrophobicContact CB-CB 4.21Å; N637-L640 PolarHBondContact O-N 2.01Å; N637-N641 PolarHBondContact O-N 3.34Å
638	E	68.4	Low	70.1	Confident	168 Å²	168	79.9 Å²	79.9	79%	0.785	44%	0.437	S	S	*	.	H	α-helix	trans	-53.2	-40.5	-171.8	-69	-172.9	166.3	0	0	112.5	L640 N641 D642	E638-L640 VanDerWaalsContact C-N 3.33Å; E638-L640 PolarHBondContact O-N 3.17Å; E638-N641 PolarHBondContact O-N 3.28Å; E638-D642 PolarHBondContact O-N 3.43Å
639	A	67.8	Low	69.9	Low	80 Å²	80	82.2 Å²	82.2	66%	0.661	45%	0.45	S	S	*	.	H	α-helix	trans	-63	-36.1	178.3	0	0	0	0	0	113.5	N637 A643	N637-A639 PolarHBondContact O-N 3.08Å; A639-A643 WeakPolarHBondContact O-CB 3.28Å; A639-A643 PolarHBondContact O-N 3.26Å
640	L	65.5	Low	69.9	Low	80 Å²	80	84.9 Å²	84.9	42%	0.419	46%	0.46	S	S	.	.	H	α-helix	trans	-82.3	-32.5	177.8	-158.9	74.1	0	0	0	111.1	F634 N637 E638 A643 L644	F634-L640 HydrophobicContact CD1-CD2 3.58Å; F634-L640 HydrophobicContact CD1-CG 4.48Å; F634-L640 HydrophobicContact CE1-CD2 3.69Å; F634-L640 HydrophobicContact CG-CD2 4.42Å; N637-L640 HydrophobicContact CB-CB 4.21Å; N637-L640 PolarHBondContact O-N 2.01Å; E638-L640 VanDerWaalsContact C-N 3.33Å; E638-L640 PolarHBondContact O-N 3.17Å; L640-A643 PolarHBondContact O-N 2.96Å; L640-L644 VanDerWaalsContact O-CB 3.22Å; L640-L644 WeakPolarHBondContact O-CB 3.05Å; L640-L644 PolarHBondContact O-N 3.38Å
641	N	65.4	Low	70.1	Confident	33 Å²	33	82.7 Å²	82.7	18%	0.176	45%	0.453	C	S	.	.	H	α-helix	trans	-66.7	-47.1	177.1	-147.6	26.8	0	0	0	109.9	F634 N637 E638 A643 L644 H645	F634-N641 HydrophobicContact CB-CB 4.44Å; N637-N641 PolarHBondContact O-N 3.34Å; E638-N641 PolarHBondContact O-N 3.28Å; N641-A643 VanDerWaalsContact C-N 3.3Å; N641-A643 PolarHBondContact O-N 2.81Å; N641-L644 PolarHBondContact O-N 2.88Å; N641-H645 WeakPolarHBondContact O-CA 3.45Å; N641-H645 WeakPolarHBondContact O-CB 3.49Å; N641-H645 PolarHBondContact O-N 2.95Å; N641-H645 PolarHBondContact OD1-CD2 3.14Å
642	D	65.6	Low	70.8	Confident	134 Å²	134	88.8 Å²	88.8	72%	0.717	48%	0.479	S	S	*	.	H	α-helix	trans	-64.8	-32	176.1	-86	0.4	0	0	0	113.2	E638	E638-D642 PolarHBondContact O-N 3.43Å
643	A	62.9	Low	71.3	Confident	83 Å²	83	86.2 Å²	86.2	69%	0.686	47%	0.467	S	S	*	.	H	α-helix	trans	-73.7	-27.1	177.2	0	0	0	0	0	113.4	A639 L640 N641	A639-A643 WeakPolarHBondContact O-CB 3.28Å; A639-A643 PolarHBondContact O-N 3.26Å; L640-A643 PolarHBondContact O-N 2.96Å; N641-A643 VanDerWaalsContact C-N 3.3Å; N641-A643 PolarHBondContact O-N 2.81Å
644	L	59.2	Low	72.3	Confident	68 Å²	68	81.2 Å²	81.2	36%	0.356	44%	0.441	S	S	.	.	H	α-helix	trans	-114.4	-22.3	-170.8	-155.2	76.2	0	0	0	113.8	Y628 F634 L640 N641 S646	Y628-L644 HydrophobicContact CE2-CD2 3.65Å; Y628-L644 HydrophobicContact CE2-CG 4.34Å; Y628-L644 WeakPolarHBondContact OH-CD1 3.38Å; Y628-L644 WeakPolarHBondContact OH-CG 3.05Å; F634-L644 HydrophobicContact CD2-CD2 3.79Å; F634-L644 HydrophobicContact CE2-CD2 3.2Å; F634-L644 HydrophobicContact CZ-CD2 3.65Å; L640-L644 VanDerWaalsContact O-CB 3.22Å; L640-L644 WeakPolarHBondContact O-CB 3.05Å; L640-L644 PolarHBondContact O-N 3.38Å; N641-L644 PolarHBondContact O-N 2.88Å; L644-S646 PolarHBondContact O-N 2.82Å
645	H	60.3	Low	73.4	Confident	61 Å²	61	80 Å²	80	28%	0.282	44%	0.437	S	S	.	.			trans	-69.7	106	173.3	-112.2	-49.7	0	0	0	109.3	L629 E630 G631 N641 H647	L629-H645 PolarHBondContact O-CE1 2.79Å; E630-H645 VanDerWaalsContact C-CE1 3.4Å; G631-H645 VanDerWaalsContact CA-CE1 3.46Å; G631-H645 WeakPolarHBondContact CA-CE1 3.26Å; G631-H645 WeakPolarHBondContact CA-NE2 3.47Å; G631-H645 PolarHBondContact N-CE1 3.23Å; G631-H645 VanDerWaalsContact N-CE1 3.32Å; N641-H645 WeakPolarHBondContact O-CA 3.45Å; N641-H645 WeakPolarHBondContact O-CB 3.49Å; N641-H645 PolarHBondContact O-N 2.95Å; N641-H645 PolarHBondContact OD1-CD2 3.14Å; H645-H647 PolarHBondContact O-N 2.94Å
646	S	61.7	Low	74.8	Confident	13 Å²	13	73.1 Å²	73.1	9%	0.091	42%	0.417	C	S	.	.			trans	-67	110.2	157.1	42.2	0	0	0	0	108.2	Q236 L644 L648	Q236-S646 VanDerWaalsContact NE2-CB 3.34Å; L644-S646 PolarHBondContact O-N 2.82Å; S646-L648 WeakPolarHBondContact O-CG 3.25Å; S646-L648 PolarHBondContact O-N 2.98Å; S646-L648 VanDerWaalsContact OG-CD1 3.31Å; S646-L648 WeakPolarHBondContact OG-CD1 3.21Å
647	H	69.1	Low	76.1	Confident	169 Å²	169	72.2 Å²	72.2	78%	0.782	39%	0.393	S	S	*	.			trans	-61.3	80.7	165.5	-81.2	-69.3	0	0	0	109.4	H645	H645-H647 PolarHBondContact O-N 2.94Å
648	L	77.4	Confident	77.4	Confident	30 Å²	30	67.7 Å²	67.7	16%	0.157	37%	0.368	C	S	.	.			trans	-82.2	136.2	-178.5	-73	155.2	0	0	0	109.8	D233 T237 L629 S646	D233-L648 HydrophobicContact CB-CD2 3.47Å; D233-L648 VanDerWaalsContact CB-CD2 3.47Å; T237-L648 HydrophobicContact CG2-CD1 3.97Å; T237-L648 HydrophobicContact CG2-CD2 3.68Å; T237-L648 HydrophobicContact CG2-CG 4.36Å; L629-L648 HydrophobicContact CD2-CD1 3.86Å; S646-L648 WeakPolarHBondContact O-CG 3.25Å; S646-L648 PolarHBondContact O-N 2.98Å; S646-L648 VanDerWaalsContact OG-CD1 3.31Å; S646-L648 WeakPolarHBondContact OG-CD1 3.21Å
649	H	82.6	Confident	78.8	Confident	116 Å²	116	63 Å²	63	54%	0.537	35%	0.348	S	S	.	.	S	Bend	trans	-70.8	-36.9	172.3	-71.1	-63.7	0	0	0	111.5	K229 D233	K229-H649 HydrophobicContact CB-CB 4.07Å; K229-H649 HydrophobicContact CD-CB 4.12Å; K229-H649 HydrophobicContact CG-CB 4.29Å; D233-H649 IonicContact OD1-CD2 3.99Å; D233-H649 PolarHBondContact OD1-N 2.84Å; D233-H649 PolarHBondContact OD2-N 3.4Å
650	Y	85.4	Confident	80.1	Confident	65 Å²	65	64.2 Å²	64.2	26%	0.255	34%	0.343	S	S	.	.			trans	-138.6	76.3	-175.6	-58.6	-63.2	0	0	0	111.7	K229 V230 D233 F652 V653 P654	K229-Y650 HydrophobicContact CB-CD2 4.1Å; K229-Y650 HydrophobicContact CB-CE2 3.78Å; K229-Y650 HydrophobicContact CD-CE2 3.82Å; K229-Y650 HydrophobicContact CG-CE2 4.47Å; V230-Y650 HydrophobicContact CG2-CD2 4.24Å; D233-Y650 PolarHBondContact OD2-N 3.06Å; Y650-F652 AromaticContact CD1-CE1 3.58Å; Y650-F652 HydrophobicContact CD1-CE1 3.58Å; Y650-F652 AromaticContact CD1-CZ 3.9Å; Y650-F652 HydrophobicContact CD1-CZ 3.9Å; Y650-F652 HydrophobicContact CG-CE1 4.07Å; Y650-F652 HydrophobicContact CG-CZ 4.19Å; Y650-F652 PolarHBondContact O-N 3.41Å; Y650-V653 PolarHBondContact O-N 3.07Å; Y650-P654 VanDerWaalsContact O-CD 3.23Å; Y650-P654 WeakPolarHBondContact O-CD 3.12Å
651	S	85.4	Confident	81.5	Confident	33 Å²	33	61.2 Å²	61.2	23%	0.231	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-29.7	180	65.1	0	0	0	0	114.1	E630 V653 P654 L655	E630-S651 PolarHBondContact OE1-OG 3.22Å; S651-V653 VanDerWaalsContact C-N 3.27Å; S651-V653 PolarHBondContact O-N 3.49Å; S651-P654 WeakPolarHBondContact O-CD 3.04Å; S651-P654 WeakPolarHBondContact O-CG 3.34Å; S651-L655 WeakPolarHBondContact O-CB 3.29Å; S651-L655 PolarHBondContact O-N 2.81Å
652	F	88.9	Confident	82.9	Confident	133 Å²	133	59.7 Å²	59.7	58%	0.583	32%	0.32	S	S	*	.	H	α-helix	trans	-67.8	-21.7	178.6	67.8	-96.4	0	0	0	114.1	Y650 G656	Y650-F652 AromaticContact CD1-CE1 3.58Å; Y650-F652 HydrophobicContact CD1-CE1 3.58Å; Y650-F652 AromaticContact CD1-CZ 3.9Å; Y650-F652 HydrophobicContact CD1-CZ 3.9Å; Y650-F652 HydrophobicContact CG-CE1 4.07Å; Y650-F652 HydrophobicContact CG-CZ 4.19Å; Y650-F652 PolarHBondContact O-N 3.41Å; F652-G656 PolarHBondContact O-N 2.85Å
653	V	90.5	Very high	84.4	Confident	30 Å²	30	57.9 Å²	57.9	18%	0.182	30%	0.304	C	S	.	.	H	α-helix	trans	-71.3	-56.8	-179.4	177.3	0	0	0	0	111.9	V230 Y650 S651 L655 G656 I657	V230-V653 HydrophobicContact CG1-CG1 3.92Å; V230-V653 HydrophobicContact CG2-CG1 4.34Å; V230-V653 HydrophobicContact CG2-CG2 4.16Å; Y650-V653 PolarHBondContact O-N 3.07Å; S651-V653 VanDerWaalsContact C-N 3.27Å; S651-V653 PolarHBondContact O-N 3.49Å; V653-L655 VanDerWaalsContact C-N 3.26Å; V653-L655 PolarHBondContact O-N 2.79Å; V653-G656 PolarHBondContact O-N 2.86Å; V653-I657 HydrophobicContact CG1-CD1 4.47Å; V653-I657 PolarHBondContact O-N 2.93Å
654	P	91.2	Very high	85.8	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-61.4	-36.4	174	23.2	-31.5	0	0	0	111.7	T237 I241 L629 Y650 S651 G656 I657 I658	T237-P654 HydrophobicContact CG2-CB 4.48Å; T237-P654 HydrophobicContact CG2-CG 4.44Å; I241-P654 HydrophobicContact CD1-CB 4.31Å; L629-P654 HydrophobicContact CD1-CG 4.32Å; Y650-P654 VanDerWaalsContact O-CD 3.23Å; Y650-P654 WeakPolarHBondContact O-CD 3.12Å; S651-P654 WeakPolarHBondContact O-CD 3.04Å; S651-P654 WeakPolarHBondContact O-CG 3.34Å; P654-G656 PolarHBondContact O-N 3.36Å; P654-I657 PolarHBondContact O-N 3.25Å; P654-I658 VanDerWaalsContact O-CG1 3.31Å; P654-I658 WeakPolarHBondContact O-CG1 3.38Å; P654-I658 PolarHBondContact O-N 3.32Å
655	L	93.4	Very high	87.4	Confident	26 Å²	26	56.1 Å²	56.1	14%	0.136	28%	0.284	C	S	.	.	H	α-helix	trans	-59.6	-45.1	173.6	-177.5	63.8	0	0	0	112.1	A625 Y626 L629 S651 V653 I657 I658 I659	A625-L655 HydrophobicContact CB-CD1 3.97Å; Y626-L655 HydrophobicContact CD2-CD2 3.84Å; L629-L655 HydrophobicContact CD1-CB 4.05Å; S651-L655 WeakPolarHBondContact O-CB 3.29Å; S651-L655 PolarHBondContact O-N 2.81Å; V653-L655 VanDerWaalsContact C-N 3.26Å; V653-L655 PolarHBondContact O-N 2.79Å; L655-I657 VanDerWaalsContact C-N 3.32Å; L655-I657 PolarHBondContact O-N 2.77Å; L655-I658 PolarHBondContact O-N 3.42Å; L655-I659 HydrophobicContact CD1-CD1 4.19Å; L655-I659 HydrophobicContact CD1-CG1 4.45Å; L655-I659 HydrophobicContact CG-CD1 3.97Å; L655-I659 WeakPolarHBondContact O-CG1 3.47Å; L655-I659 PolarHBondContact O-N 2.83Å
656	G	94.5	Very high	89	Confident	36 Å²	36	53.4 Å²	53.4	37%	0.371	27%	0.272	S	S	.	.	H	α-helix	trans	-60.3	-40	175.9	0	0	0	0	0	112.6	F652 V653 P654 I659 L660	F652-G656 PolarHBondContact O-N 2.85Å; V653-G656 PolarHBondContact O-N 2.86Å; P654-G656 PolarHBondContact O-N 3.36Å; G656-I659 PolarHBondContact O-N 3.23Å; G656-L660 VanDerWaalsContact O-CB 3.27Å; G656-L660 WeakPolarHBondContact O-CB 3.04Å; G656-L660 PolarHBondContact O-N 3.2Å
657	I	94.7	Very high	90.5	Very high	62 Å²	62	54.1 Å²	54.1	32%	0.318	28%	0.277	S	S	.	.	H	α-helix	trans	-66.2	-41.4	174.9	-67.1	169.3	0	0	0	111.2	L234 I241 V653 P654 L655 L660 S661	L234-I657 HydrophobicContact CD1-CD1 4.3Å; L234-I657 HydrophobicContact CD2-CD1 3.41Å; L234-I657 VanDerWaalsContact CD2-CD1 3.41Å; L234-I657 HydrophobicContact CG-CD1 4.49Å; I241-I657 HydrophobicContact CD1-CG2 4.35Å; I241-I657 HydrophobicContact CG2-CG2 4.11Å; V653-I657 HydrophobicContact CG1-CD1 4.47Å; V653-I657 PolarHBondContact O-N 2.93Å; P654-I657 PolarHBondContact O-N 3.25Å; L655-I657 VanDerWaalsContact C-N 3.32Å; L655-I657 PolarHBondContact O-N 2.77Å; I657-L660 PolarHBondContact O-N 2.96Å; I657-S661 WeakPolarHBondContact O-CB 3.43Å; I657-S661 PolarHBondContact O-N 3.05Å; I657-S661 PolarHBondContact O-OG 2.79Å
658	I	95.9	Very high	91.5	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-63.5	-45.6	176.8	-70.1	165.5	0	0	0	110.8	I240 I241 C244 V621 A625 P654 L655 S661 S662	I240-I658 HydrophobicContact CG2-CD1 4.43Å; I241-I658 HydrophobicContact CB-CG1 4.48Å; I241-I658 HydrophobicContact CG1-CD1 4.24Å; I241-I658 HydrophobicContact CG1-CG1 4Å; C244-I658 HydrophobicContact CB-CD1 4.41Å; C244-I658 HydrophobicContact CB-CG1 4.19Å; C244-I658 HydrophobicContact CB-CG2 3.74Å; V621-I658 HydrophobicContact CG1-CG2 3.75Å; A625-I658 HydrophobicContact CB-CD1 3.9Å; A625-I658 HydrophobicContact CB-CG2 3.93Å; P654-I658 VanDerWaalsContact O-CG1 3.31Å; P654-I658 WeakPolarHBondContact O-CG1 3.38Å; P654-I658 PolarHBondContact O-N 3.32Å; L655-I658 PolarHBondContact O-N 3.42Å; I658-S661 WeakPolarHBondContact CA-OG 3.48Å; I658-S661 PolarHBondContact O-OG 3.08Å; I658-S661 VanDerWaalsContact O-OG 3.14Å; I658-S662 VanDerWaalsContact O-CB 3.26Å; I658-S662 WeakPolarHBondContact O-CB 3.19Å; I658-S662 PolarHBondContact O-N 2.79Å; I658-S662 PolarHBondContact O-OG 2.84Å
659	I	96.6	Very high	92.1	Very high	69 Å²	69	48.9 Å²	48.9	35%	0.354	25%	0.253	S	S	.	.	H	α-helix	trans	-62.6	-45.7	176.8	-71	171.9	0	0	0	110.8	V618 L655 G656 S662 Y663	V618-I659 HydrophobicContact CG1-CG2 3.85Å; L655-I659 HydrophobicContact CD1-CD1 4.19Å; L655-I659 HydrophobicContact CD1-CG1 4.45Å; L655-I659 HydrophobicContact CG-CD1 3.97Å; L655-I659 WeakPolarHBondContact O-CG1 3.47Å; L655-I659 PolarHBondContact O-N 2.83Å; G656-I659 PolarHBondContact O-N 3.23Å; I659-S662 PolarHBondContact O-OG 3.44Å; I659-Y663 WeakPolarHBondContact O-CB 3.46Å; I659-Y663 PolarHBondContact O-N 3.13Å; I659-Y663 VanDerWaalsContact O-N 3.1Å
660	L	96.3	Very high	92.5	Very high	106 Å²	106	43.8 Å²	43.8	56%	0.555	23%	0.231	S	C	*	.	H	α-helix	trans	-65.6	-46.9	179.3	-179.4	61.5	0	0	0	111.9	G656 I657 Y663 L664	G656-L660 VanDerWaalsContact O-CB 3.27Å; G656-L660 WeakPolarHBondContact O-CB 3.04Å; G656-L660 PolarHBondContact O-N 3.2Å; I657-L660 PolarHBondContact O-N 2.96Å; L660-Y663 PolarHBondContact O-N 2.94Å; L660-L664 HydrophobicContact CG-CD1 4.3Å; L660-L664 VanDerWaalsContact O-CG 3.31Å; L660-L664 WeakPolarHBondContact O-CG 3.02Å; L660-L664 PolarHBondContact O-N 3.41Å
661	S	93.9	Very high	92.8	Very high	18 Å²	18	43.1 Å²	43.1	13%	0.126	24%	0.236	C	C	.	.	H	α-helix	trans	-66.5	-40.8	-179.3	58.3	0	0	0	0	112.3	I657 I658 Y663 L664 V665	I657-S661 WeakPolarHBondContact O-CB 3.43Å; I657-S661 PolarHBondContact O-N 3.05Å; I657-S661 PolarHBondContact O-OG 2.79Å; I658-S661 WeakPolarHBondContact CA-OG 3.48Å; I658-S661 PolarHBondContact O-OG 3.08Å; I658-S661 VanDerWaalsContact O-OG 3.14Å; S661-Y663 PolarHBondContact O-N 3.36Å; S661-L664 PolarHBondContact O-N 3.35Å; S661-V665 WeakPolarHBondContact O-CG2 3.49Å; S661-V665 PolarHBondContact O-N 3.33Å
662	S	96.2	Very high	93.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.1	-40.6	173.9	59.5	0	0	0	0	112.3	S248 I658 I659 V665 A666	S248-S662 WeakPolarHBondContact OG-CB 3.41Å; I658-S662 VanDerWaalsContact O-CB 3.26Å; I658-S662 WeakPolarHBondContact O-CB 3.19Å; I658-S662 PolarHBondContact O-N 2.79Å; I658-S662 PolarHBondContact O-OG 2.84Å; I659-S662 PolarHBondContact O-OG 3.44Å; S662-V665 PolarHBondContact O-N 3.29Å; S662-A666 WeakPolarHBondContact O-CB 3.03Å; S662-A666 PolarHBondContact O-N 3.14Å
663	Y	96	Very high	93.5	Very high	96 Å²	96	35.3 Å²	35.3	38%	0.376	20%	0.197	S	C	.	.	H	α-helix	trans	-63.6	-41.6	174.2	-178.2	-93	0	0	0	112.2	K614 V618 I659 L660 S661 A666 S667	K614-Y663 HydrophobicContact CB-CD2 4.45Å; K614-Y663 HydrophobicContact CB-CE2 4.29Å; K614-Y663 HydrophobicContact CD-CE2 4.44Å; V618-Y663 HydrophobicContact CG2-CD2 4.12Å; V618-Y663 HydrophobicContact CG2-CG 4.43Å; I659-Y663 WeakPolarHBondContact O-CB 3.46Å; I659-Y663 PolarHBondContact O-N 3.13Å; I659-Y663 VanDerWaalsContact O-N 3.1Å; L660-Y663 PolarHBondContact O-N 2.94Å; S661-Y663 PolarHBondContact O-N 3.36Å; Y663-A666 PolarHBondContact O-N 3.27Å; Y663-S667 WeakPolarHBondContact CE1-OG 3.23Å; Y663-S667 VanDerWaalsContact O-CB 3.26Å; Y663-S667 WeakPolarHBondContact O-CB 3.44Å; Y663-S667 PolarHBondContact O-N 2.83Å; Y663-S667 PolarHBondContact O-OG 2.93Å
664	L	92.8	Very high	93.7	Very high	95 Å²	95	35.7 Å²	35.7	50%	0.497	20%	0.197	S	C	.	.	H	α-helix	trans	-63.1	-46.8	176.8	-71.7	173.2	0	0	0	111.1	L660 S661 S667 L668	L660-L664 HydrophobicContact CG-CD1 4.3Å; L660-L664 VanDerWaalsContact O-CG 3.31Å; L660-L664 WeakPolarHBondContact O-CG 3.02Å; L660-L664 PolarHBondContact O-N 3.41Å; S661-L664 PolarHBondContact O-N 3.35Å; L664-S667 WeakPolarHBondContact O-CB 3.4Å; L664-S667 PolarHBondContact O-N 3.38Å; L664-L668 WeakPolarHBondContact O-CG 3.32Å; L664-L668 PolarHBondContact O-N 3.02Å
665	V	92	Very high	93.9	Very high	20 Å²	20	36 Å²	36	12%	0.121	20%	0.198	C	C	.	.	H	α-helix	trans	-57.7	-53.1	175.4	171.2	0	0	0	0	110.6	I245 V249 S661 S662 S667 L668 F669	I245-V665 HydrophobicContact CG2-CG2 4.31Å; V249-V665 HydrophobicContact CB-CG1 4.34Å; V249-V665 HydrophobicContact CG2-CG1 3.62Å; V249-V665 HydrophobicContact CG2-CG2 4.43Å; S661-V665 WeakPolarHBondContact O-CG2 3.49Å; S661-V665 PolarHBondContact O-N 3.33Å; S662-V665 PolarHBondContact O-N 3.29Å; V665-S667 PolarHBondContact O-N 2.76Å; V665-L668 WeakPolarHBondContact O-CB 3.43Å; V665-L668 PolarHBondContact O-N 3.22Å; V665-L668 VanDerWaalsContact O-N 3.08Å; V665-F669 HydrophobicContact CG1-CD2 3.99Å; V665-F669 HydrophobicContact CG1-CE2 4Å; V665-F669 WeakPolarHBondContact O-CD2 3.29Å; V665-F669 PolarHBondContact O-N 3.37Å; V665-F669 VanDerWaalsContact O-N 3.14Å
666	A	93.9	Very high	94	Very high	3 Å²	3	34.7 Å²	34.7	3%	0.025	19%	0.192	C	C	.	.	H	α-helix	trans	-59.6	-34.1	179.5	0	0	0	0	0	112.3	K614 V617 S662 Y663 S670	K614-A666 HydrophobicContact CB-CB 4.26Å; K614-A666 HydrophobicContact CG-CB 3.97Å; V617-A666 HydrophobicContact CB-CB 4.29Å; V617-A666 HydrophobicContact CG1-CB 4.28Å; S662-A666 WeakPolarHBondContact O-CB 3.03Å; S662-A666 PolarHBondContact O-N 3.14Å; Y663-A666 PolarHBondContact O-N 3.27Å; A666-S670 WeakPolarHBondContact O-CB 3.34Å; A666-S670 PolarHBondContact O-N 2.87Å; A666-S670 PolarHBondContact O-OG 3.39Å
667	S	93	Very high	94	Very high	29 Å²	29	33 Å²	33	20%	0.203	17%	0.174	C	C	.	.	H	α-helix	trans	-68.3	-39.8	176	-63.9	0	0	0	0	112.9	Y663 L664 V665 S670 S671	Y663-S667 WeakPolarHBondContact CE1-OG 3.23Å; Y663-S667 VanDerWaalsContact O-CB 3.26Å; Y663-S667 WeakPolarHBondContact O-CB 3.44Å; Y663-S667 PolarHBondContact O-N 2.83Å; Y663-S667 PolarHBondContact O-OG 2.93Å; L664-S667 WeakPolarHBondContact O-CB 3.4Å; L664-S667 PolarHBondContact O-N 3.38Å; V665-S667 PolarHBondContact O-N 2.76Å; S667-S670 PolarHBondContact O-N 3.19Å; S667-S671 WeakPolarHBondContact O-CB 3.34Å; S667-S671 PolarHBondContact O-N 3.33Å
668	L	89.8	Confident	94.1	Very high	67 Å²	67	30.6 Å²	30.6	35%	0.351	16%	0.162	S	C	.	.	H	α-helix	trans	-61.4	-48.4	174.9	-68.9	170.9	0	0	0	110.9	P367 L664 V665 S670 S671 V672	P367-L668 HydrophobicContact CB-CB 4.07Å; P367-L668 HydrophobicContact CB-CD2 4.21Å; L664-L668 WeakPolarHBondContact O-CG 3.32Å; L664-L668 PolarHBondContact O-N 3.02Å; V665-L668 WeakPolarHBondContact O-CB 3.43Å; V665-L668 PolarHBondContact O-N 3.22Å; V665-L668 VanDerWaalsContact O-N 3.08Å; L668-S670 VanDerWaalsContact C-N 3.34Å; L668-S670 PolarHBondContact O-N 3.18Å; L668-S671 PolarHBondContact O-N 2.84Å; L668-S671 PolarHBondContact O-OG 2.77Å; L668-V672 PolarHBondContact O-N 2.63Å
669	F	90.2	Very high	94.1	Very high	22 Å²	22	30.5 Å²	30.5	10%	0.096	16%	0.162	C	C	.	.	H	α-helix	trans	-60.9	-42.7	176.5	-85.6	-92.2	0	0	0	112.3	V249 F253 I256 L364 V665 S671 V672 F673	V249-F669 HydrophobicContact CB-CE2 4.49Å; V249-F669 HydrophobicContact CG1-CE2 4.07Å; V249-F669 HydrophobicContact CG1-CZ 3.85Å; V249-F669 HydrophobicContact CG2-CE2 4.43Å; F253-F669 HydrophobicContact CB-CE1 4.41Å; I256-F669 HydrophobicContact CD1-CB 4.13Å; I256-F669 HydrophobicContact CD1-CD1 3.89Å; L364-F669 HydrophobicContact CB-CE1 4.16Å; L364-F669 HydrophobicContact CD2-CD1 3.99Å; L364-F669 HydrophobicContact CD2-CE1 4.18Å; V665-F669 HydrophobicContact CG1-CD2 3.99Å; V665-F669 HydrophobicContact CG1-CE2 4Å; V665-F669 WeakPolarHBondContact O-CD2 3.29Å; V665-F669 PolarHBondContact O-N 3.37Å; V665-F669 VanDerWaalsContact O-N 3.14Å; F669-S671 PolarHBondContact O-N 3.04Å; F669-V672 PolarHBondContact O-N 3.08Å; F669-F673 PolarHBondContact O-N 2.94Å
670	S	92.3	Very high	94.1	Very high	8 Å²	8	27.4 Å²	27.4	6%	0.056	15%	0.146	C	C	.	.	H	α-helix	trans	-62.9	-40.9	177.5	-61.5	0	0	0	0	112.1	K614 A666 S667 L668 V672 F673 E674	K614-S670 WeakPolarHBondContact CE-OG 3.21Å; A666-S670 WeakPolarHBondContact O-CB 3.34Å; A666-S670 PolarHBondContact O-N 2.87Å; A666-S670 PolarHBondContact O-OG 3.39Å; S667-S670 PolarHBondContact O-N 3.19Å; L668-S670 VanDerWaalsContact C-N 3.34Å; L668-S670 PolarHBondContact O-N 3.18Å; S670-V672 VanDerWaalsContact C-N 3.25Å; S670-V672 PolarHBondContact O-N 3.36Å; S670-F673 WeakPolarHBondContact O-CB 3.26Å; S670-F673 PolarHBondContact O-N 3.24Å; S670-E674 WeakPolarHBondContact O-CG 3.21Å; S670-E674 PolarHBondContact O-N 3.14Å
671	S	92	Very high	94.1	Very high	52 Å²	52	22.5 Å²	22.5	36%	0.364	12%	0.12	S	C	.	.	H	α-helix	trans	-60.5	-34.6	-179.5	75.5	0	0	0	0	113	S667 L668 F669 M675	S667-S671 WeakPolarHBondContact O-CB 3.34Å; S667-S671 PolarHBondContact O-N 3.33Å; L668-S671 PolarHBondContact O-N 2.84Å; L668-S671 PolarHBondContact O-OG 2.77Å; F669-S671 PolarHBondContact O-N 3.04Å; S671-M675 WeakPolarHBondContact O-CB 3.46Å; S671-M675 PolarHBondContact O-N 3.14Å
672	V	93.7	Very high	94.2	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.006	11%	0.114	C	C	.	.	H	α-helix	trans	-67.2	-44.8	175.1	175.6	0	0	0	0	110.4	V363 P367 L476 L668 F669 S670 M675 G676	V363-V672 HydrophobicContact CG1-CG1 3.32Å; P367-V672 HydrophobicContact CG-CG2 3.25Å; L476-V672 HydrophobicContact CD1-CG2 4.43Å; L476-V672 HydrophobicContact CD2-CG1 4.27Å; L668-V672 PolarHBondContact O-N 2.63Å; F669-V672 PolarHBondContact O-N 3.08Å; S670-V672 VanDerWaalsContact C-N 3.25Å; S670-V672 PolarHBondContact O-N 3.36Å; V672-M675 PolarHBondContact O-N 3.5Å; V672-G676 PolarHBondContact O-N 2.95Å
673	F	94.1	Very high	94.1	Very high	1 Å²	1	21.6 Å²	21.6	0%	0.004	11%	0.114	C	C	.	.	H	α-helix	trans	-65.1	-43.9	178.3	-167.5	-83.9	0	0	0	111.5	I256 L259 L350 T353 V357 T606 L610 F669 S670 M675 G676 V677	I256-F673 HydrophobicContact CG2-CD2 4.29Å; L259-F673 HydrophobicContact CD1-CE1 4.46Å; L259-F673 HydrophobicContact CD1-CE2 4.15Å; L259-F673 HydrophobicContact CD1-CZ 4.08Å; L350-F673 HydrophobicContact CD2-CE1 4.28Å; L350-F673 HydrophobicContact CG-CE1 4.2Å; T353-F673 HydrophobicContact CG2-CD2 4.24Å; T353-F673 HydrophobicContact CG2-CE1 4.35Å; T353-F673 HydrophobicContact CG2-CE2 4.05Å; T353-F673 HydrophobicContact CG2-CG 4.48Å; T353-F673 HydrophobicContact CG2-CZ 4.12Å; V357-F673 HydrophobicContact CG2-CD2 4.25Å; T606-F673 HydrophobicContact CG2-CD1 4.34Å; T606-F673 HydrophobicContact CG2-CE1 4.47Å; L610-F673 HydrophobicContact CD1-CB 4.3Å; L610-F673 HydrophobicContact CD1-CD1 3.93Å; L610-F673 HydrophobicContact CD2-CB 4.28Å; L610-F673 HydrophobicContact CD2-CD1 3.89Å; L610-F673 HydrophobicContact CD2-CG 4.17Å; L610-F673 HydrophobicContact CG-CD1 4.32Å; F669-F673 PolarHBondContact O-N 2.94Å; S670-F673 WeakPolarHBondContact O-CB 3.26Å; S670-F673 PolarHBondContact O-N 3.24Å; F673-M675 VanDerWaalsContact C-N 3.3Å; F673-M675 PolarHBondContact O-N 3.18Å; F673-G676 WeakPolarHBondContact O-CA 3.49Å; F673-G676 PolarHBondContact O-N 3.44Å; F673-G676 VanDerWaalsContact O-N 3.09Å; F673-V677 HydrophobicContact CD1-CG2 3.74Å; F673-V677 HydrophobicContact CE1-CG2 3.45Å; F673-V677 VanDerWaalsContact CE1-CG2 3.45Å; F673-V677 HydrophobicContact CZ-CG2 4.31Å; F673-V677 PolarHBondContact O-N 2.77Å
674	E	94.7	Very high	94	Very high	37 Å²	37	17 Å²	17	17%	0.173	10%	0.096	C	C	.	.	H	α-helix	trans	-55.7	-45.8	174.3	-70.4	170.2	-158.6	0	0	110.9	R568 T606 L610 K614 S670 G676 V677 D678	R568-E674 PolarHBondContact NH2-O 3.13Å; T606-E674 HydrophobicContact CG2-CG 4.37Å; L610-E674 HydrophobicContact CD1-CB 4.44Å; L610-E674 HydrophobicContact CD1-CG 3.3Å; K614-E674 IonicContact NZ-OE1 3.63Å; S670-E674 WeakPolarHBondContact O-CG 3.21Å; S670-E674 PolarHBondContact O-N 3.14Å; E674-G676 VanDerWaalsContact C-N 3.28Å; E674-G676 PolarHBondContact O-N 3.23Å; E674-V677 PolarHBondContact O-N 3.02Å; E674-D678 PolarHBondContact O-N 3.4Å; E674-D678 VanDerWaalsContact O-N 3.08Å
675	M	95	Very high	94.1	Very high	6 Å²	6	12.7 Å²	12.7	3%	0.03	7%	0.073	C	C	.	.	H	α-helix	trans	-64.7	-35.5	178	-166.2	63.4	-133.4	0	0	112.2	Q473 L476 A477 R568 I572 S671 V672 F673 T679	Q473-M675 HydrophobicContact CB-SD 3.93Å; Q473-M675 HydrophobicContact CG-SD 3.92Å; L476-M675 HydrophobicContact CB-CB 4.31Å; L476-M675 HydrophobicContact CB-CG 3.64Å; L476-M675 HydrophobicContact CD1-CB 3.87Å; L476-M675 HydrophobicContact CD1-CG 3.91Å; L476-M675 HydrophobicContact CG-CG 4.44Å; A477-M675 HydrophobicContact CB-CE 3.93Å; R568-M675 HydrophobicContact CG-CE 4.37Å; R568-M675 HydrophobicContact CG-SD 4.09Å; I572-M675 HydrophobicContact CD1-CE 3.6Å; I572-M675 HydrophobicContact CG1-CE 3.38Å; S671-M675 WeakPolarHBondContact O-CB 3.46Å; S671-M675 PolarHBondContact O-N 3.14Å; V672-M675 PolarHBondContact O-N 3.5Å; F673-M675 VanDerWaalsContact C-N 3.3Å; F673-M675 PolarHBondContact O-N 3.18Å; M675-T679 WeakPolarHBondContact CE-OG1 3.37Å; M675-T679 WeakPolarHBondContact O-CB 3.46Å; M675-T679 PolarHBondContact O-N 3.32Å; M675-T679 VanDerWaalsContact O-N 3.1Å; M675-T679 PolarHBondContact O-OG1 2.56Å
676	G	95.8	Very high	94.1	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-62.4	-49.2	172.4	0	0	0	0	0	112.7	F480 V672 F673 E674 D678 T679 I680	F480-G676 VanDerWaalsContact CD2-CA 3.43Å; V672-G676 PolarHBondContact O-N 2.95Å; F673-G676 WeakPolarHBondContact O-CA 3.49Å; F673-G676 PolarHBondContact O-N 3.44Å; F673-G676 VanDerWaalsContact O-N 3.09Å; E674-G676 VanDerWaalsContact C-N 3.28Å; E674-G676 PolarHBondContact O-N 3.23Å; G676-D678 PolarHBondContact O-N 3.18Å; G676-T679 PolarHBondContact O-N 2.88Å; G676-I680 WeakPolarHBondContact O-CB 3.38Å; G676-I680 VanDerWaalsContact O-CG1 3.24Å; G676-I680 WeakPolarHBondContact O-CG1 3.39Å; G676-I680 PolarHBondContact O-N 2.94Å
677	V	96.1	Very high	94	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-58	-49.1	179.2	170.7	0	0	0	0	110.8	I349 L350 T353 V602 T606 F673 E674 T679 I680 F681	I349-V677 HydrophobicContact CG2-CG1 3.99Å; L350-V677 HydrophobicContact CG-CG2 4.39Å; T353-V677 HydrophobicContact CG2-CG2 3.85Å; T353-V677 WeakPolarHBondContact OG1-CA 3.28Å; V602-V677 HydrophobicContact CG1-CG1 3.47Å; V602-V677 VanDerWaalsContact CG1-CG1 3.47Å; T606-V677 HydrophobicContact CG2-CB 4.21Å; T606-V677 HydrophobicContact CG2-CG1 4.33Å; T606-V677 HydrophobicContact CG2-CG2 3.84Å; F673-V677 HydrophobicContact CD1-CG2 3.74Å; F673-V677 HydrophobicContact CE1-CG2 3.45Å; F673-V677 VanDerWaalsContact CE1-CG2 3.45Å; F673-V677 HydrophobicContact CZ-CG2 4.31Å; F673-V677 PolarHBondContact O-N 2.77Å; E674-V677 PolarHBondContact O-N 3.02Å; V677-T679 VanDerWaalsContact C-N 3.31Å; V677-T679 PolarHBondContact O-N 3.14Å; V677-I680 PolarHBondContact O-N 3.15Å; V677-F681 VanDerWaalsContact O-CB 3.23Å; V677-F681 WeakPolarHBondContact O-CB 3.46Å; V677-F681 PolarHBondContact O-N 2.94Å
678	D	96.1	Very high	93.8	Very high	11 Å²	11	12.9 Å²	12.9	6%	0.059	7%	0.07	C	C	.	.	H	α-helix	trans	-61.5	-42.1	-179.5	-79	15.3	0	0	0	112	R568 I572 E674 G676 F681 L682	R568-D678 IonicContact CZ-OD2 3.97Å; R568-D678 IonicContact NE-OD2 3.17Å; R568-D678 PolarHBondContact NE-OD2 2.83Å; R568-D678 IonicContact NH1-OD2 3.92Å; R568-D678 PolarHBondContact NH1-OD2 3.26Å; R568-D678 IonicContact NH2-OD1 2.94Å; R568-D678 IonicContact NH2-OD2 3.98Å; R568-D678 PolarHBondContact NH2-OD2 3.38Å; I572-D678 HydrophobicContact CD1-CB 3.96Å; E674-D678 PolarHBondContact O-N 3.4Å; E674-D678 VanDerWaalsContact O-N 3.08Å; G676-D678 PolarHBondContact O-N 3.18Å; D678-F681 PolarHBondContact O-N 3.17Å; D678-L682 WeakPolarHBondContact O-CB 3.49Å; D678-L682 PolarHBondContact O-N 3.11Å
679	T	96.7	Very high	93.8	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-66.1	-48.8	179.8	-57.1	0	0	0	0	111.3	A477 F480 A481 I572 M675 G676 V677 F681 L682 C683	A477-T679 WeakPolarHBondContact CA-OG1 3.47Å; A477-T679 HydrophobicContact CB-CG2 4.38Å; A477-T679 VanDerWaalsContact O-CG2 3.29Å; A477-T679 WeakPolarHBondContact O-CG2 3.31Å; F480-T679 HydrophobicContact CB-CG2 3.6Å; A481-T679 HydrophobicContact CB-CG2 4.21Å; I572-T679 HydrophobicContact CG2-CG2 4.05Å; M675-T679 WeakPolarHBondContact CE-OG1 3.37Å; M675-T679 WeakPolarHBondContact O-CB 3.46Å; M675-T679 PolarHBondContact O-N 3.32Å; M675-T679 VanDerWaalsContact O-N 3.1Å; M675-T679 PolarHBondContact O-OG1 2.56Å; G676-T679 PolarHBondContact O-N 2.88Å; V677-T679 VanDerWaalsContact C-N 3.31Å; V677-T679 PolarHBondContact O-N 3.14Å; T679-F681 VanDerWaalsContact C-N 3.28Å; T679-F681 PolarHBondContact O-N 2.9Å; T679-L682 PolarHBondContact O-N 3.1Å; T679-C683 WeakPolarHBondContact O-CB 3.22Å; T679-C683 PolarHBondContact O-N 3.37Å; T679-C683 PolarHBondContact O-SG 3.49Å
680	I	95.8	Very high	93.7	Very high	4 Å²	4	17.4 Å²	17.4	2%	0.021	9%	0.088	C	C	.	.	H	α-helix	trans	-62.3	-40.4	178.3	-64.8	-63.4	0	0	0	110.1	I349 E352 F480 Y483 Y484 G676 V677 C683 F684	I349-I680 HydrophobicContact CG2-CB 4.45Å; I349-I680 HydrophobicContact CG2-CG2 4.14Å; E352-I680 HydrophobicContact CB-CG2 4.35Å; F480-I680 HydrophobicContact CB-CD1 4.36Å; Y483-I680 HydrophobicContact CD1-CD1 4.47Å; Y484-I680 HydrophobicContact CD2-CD1 3.93Å; Y484-I680 HydrophobicContact CD2-CG2 4.04Å; Y484-I680 HydrophobicContact CE2-CG2 4.28Å; Y484-I680 HydrophobicContact CG-CD1 4.37Å; G676-I680 WeakPolarHBondContact O-CB 3.38Å; G676-I680 VanDerWaalsContact O-CG1 3.24Å; G676-I680 WeakPolarHBondContact O-CG1 3.39Å; G676-I680 PolarHBondContact O-N 2.94Å; V677-I680 PolarHBondContact O-N 3.15Å; I680-C683 PolarHBondContact O-N 3.09Å; I680-F684 VanDerWaalsContact O-CB 3.25Å; I680-F684 WeakPolarHBondContact O-CB 3.5Å; I680-F684 PolarHBondContact O-N 3.35Å
681	F	96.2	Very high	93.6	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.009	9%	0.087	C	C	.	.	H	α-helix	trans	-62.2	-46.1	176.3	177.9	-117.4	0	0	0	112.1	I349 L592 R598 L599 V602 V677 D678 T679 F684 L685	I349-F681 HydrophobicContact CD1-CB 4.4Å; I349-F681 HydrophobicContact CD1-CD2 3.45Å; I349-F681 VanDerWaalsContact CD1-CD2 3.45Å; I349-F681 HydrophobicContact CD1-CE2 4.15Å; I349-F681 HydrophobicContact CD1-CG 4.33Å; I349-F681 HydrophobicContact CG2-CB 4.32Å; L592-F681 HydrophobicContact CD2-CD1 4.47Å; L592-F681 HydrophobicContact CD2-CE1 4.01Å; R598-F681 HydrophobicContact CB-CE2 4.12Å; R598-F681 HydrophobicContact CB-CZ 3.91Å; L599-F681 HydrophobicContact CB-CE1 3.75Å; L599-F681 HydrophobicContact CB-CZ 4.14Å; L599-F681 HydrophobicContact CD1-CD1 3.94Å; L599-F681 HydrophobicContact CD1-CE1 3.64Å; L599-F681 HydrophobicContact CG-CE1 4.3Å; V602-F681 HydrophobicContact CG1-CB 4.45Å; V602-F681 HydrophobicContact CG1-CG 4.4Å; V602-F681 HydrophobicContact CG2-CD2 4.1Å; V602-F681 HydrophobicContact CG2-CE2 4.09Å; V677-F681 VanDerWaalsContact O-CB 3.23Å; V677-F681 WeakPolarHBondContact O-CB 3.46Å; V677-F681 PolarHBondContact O-N 2.94Å; D678-F681 PolarHBondContact O-N 3.17Å; T679-F681 VanDerWaalsContact C-N 3.28Å; T679-F681 PolarHBondContact O-N 2.9Å; F681-F684 AromaticContact CD2-CD1 3.92Å; F681-F684 HydrophobicContact CD2-CD1 3.92Å; F681-F684 HydrophobicContact CD2-CE1 4.46Å; F681-F684 HydrophobicContact CE2-CD1 4.15Å; F681-F684 HydrophobicContact CE2-CE1 4.28Å; F681-F684 WeakPolarHBondContact O-CB 3.31Å; F681-F684 PolarHBondContact O-N 3.11Å; F681-L685 HydrophobicContact CD1-CD1 4.28Å; F681-L685 HydrophobicContact CD2-CG 4.44Å; F681-L685 HydrophobicContact CE1-CD1 3.61Å; F681-L685 HydrophobicContact CE1-CG 4.25Å; F681-L685 HydrophobicContact CE2-CD1 4.23Å; F681-L685 HydrophobicContact CE2-CD2 4.04Å; F681-L685 HydrophobicContact CE2-CG 4.05Å; F681-L685 HydrophobicContact CZ-CD1 3.61Å; F681-L685 HydrophobicContact CZ-CD2 4.09Å; F681-L685 HydrophobicContact CZ-CG 3.95Å; F681-L685 WeakPolarHBondContact O-CG 3.5Å; F681-L685 PolarHBondContact O-N 3.2Å
682	L	95.2	Very high	93.4	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-66.4	-41.9	178.5	-156.6	82.9	0	0	0	111.7	I572 V573 L591 L592 D678 T679 F684 L685 E686	I572-L682 HydrophobicContact CB-CD2 3.77Å; I572-L682 HydrophobicContact CG2-CB 4.01Å; I572-L682 HydrophobicContact CG2-CD2 3.43Å; I572-L682 VanDerWaalsContact CG2-CD2 3.43Å; I572-L682 HydrophobicContact CG2-CG 4.35Å; V573-L682 HydrophobicContact CG2-CD2 3.51Å; L591-L682 HydrophobicContact CD2-CD1 4.19Å; L591-L682 HydrophobicContact CD2-CG 4.34Å; L592-L682 HydrophobicContact CD1-CD1 4.14Å; L592-L682 HydrophobicContact CD2-CD1 3.6Å; L592-L682 HydrophobicContact CG-CD1 3.84Å; D678-L682 WeakPolarHBondContact O-CB 3.49Å; D678-L682 PolarHBondContact O-N 3.11Å; T679-L682 PolarHBondContact O-N 3.1Å; L682-F684 VanDerWaalsContact C-N 3.26Å; L682-F684 PolarHBondContact O-N 3.48Å; L682-L685 PolarHBondContact O-N 3.46Å; L682-E686 WeakPolarHBondContact O-CG 3.47Å; L682-E686 PolarHBondContact O-N 2.86Å
683	C	94.7	Very high	93	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-59.3	-40.7	174.1	-66	0	0	0	0	111.2	Y484 F485 T679 I680 E686 D687	Y484-C683 HydrophobicContact CD1-CB 3.57Å; Y484-C683 HydrophobicContact CD2-CB 4.18Å; Y484-C683 HydrophobicContact CE1-CB 3.94Å; Y484-C683 HydrophobicContact CE2-CB 4.47Å; Y484-C683 HydrophobicContact CG-CB 3.71Å; F485-C683 HydrophobicContact CE2-CB 3.89Å; F485-C683 HydrophobicContact CZ-CB 4Å; T679-C683 WeakPolarHBondContact O-CB 3.22Å; T679-C683 PolarHBondContact O-N 3.37Å; T679-C683 PolarHBondContact O-SG 3.49Å; I680-C683 PolarHBondContact O-N 3.09Å; C683-E686 PolarHBondContact O-N 3.39Å; C683-D687 VanDerWaalsContact O-CB 3.24Å; C683-D687 WeakPolarHBondContact O-CB 3.47Å; C683-D687 PolarHBondContact O-N 2.9Å
684	F	94.3	Very high	92.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-62.1	-43	174.6	156.3	-109	0	0	0	113	V345 Y484 I680 F681 L682 D687 L688 M701 L705 L709	V345-F684 HydrophobicContact CG1-CE1 4.37Å; Y484-F684 HydrophobicContact CE2-CB 4.37Å; Y484-F684 WeakPolarHBondContact OH-CA 3.47Å; I680-F684 VanDerWaalsContact O-CB 3.25Å; I680-F684 WeakPolarHBondContact O-CB 3.5Å; I680-F684 PolarHBondContact O-N 3.35Å; F681-F684 AromaticContact CD2-CD1 3.92Å; F681-F684 HydrophobicContact CD2-CD1 3.92Å; F681-F684 HydrophobicContact CD2-CE1 4.46Å; F681-F684 HydrophobicContact CE2-CD1 4.15Å; F681-F684 HydrophobicContact CE2-CE1 4.28Å; F681-F684 WeakPolarHBondContact O-CB 3.31Å; F681-F684 PolarHBondContact O-N 3.11Å; L682-F684 VanDerWaalsContact C-N 3.26Å; L682-F684 PolarHBondContact O-N 3.48Å; F684-D687 PolarHBondContact O-N 3.07Å; F684-L688 HydrophobicContact CD2-CD1 4.23Å; F684-L688 HydrophobicContact CD2-CG 4.2Å; F684-L688 HydrophobicContact CE1-CD1 3.98Å; F684-L688 HydrophobicContact CE2-CD1 3.42Å; F684-L688 VanDerWaalsContact CE2-CD1 3.42Å; F684-L688 HydrophobicContact CE2-CD2 4.23Å; F684-L688 HydrophobicContact CE2-CG 3.68Å; F684-L688 HydrophobicContact CZ-CD1 3.28Å; F684-L688 HydrophobicContact CZ-CG 4.1Å; F684-L688 PolarHBondContact O-N 2.99Å; F684-M701 HydrophobicContact CD2-CE 4.01Å; F684-M701 HydrophobicContact CD2-SD 4.15Å; F684-M701 HydrophobicContact CE2-CE 3.98Å; F684-M701 HydrophobicContact CE2-SD 3.93Å; F684-L705 HydrophobicContact CB-CD2 4.4Å; F684-L705 HydrophobicContact CD2-CD2 3.24Å; F684-L705 HydrophobicContact CD2-CG 4.23Å; F684-L705 HydrophobicContact CE2-CD2 3.49Å; F684-L705 VanDerWaalsContact CE2-CD2 3.49Å; F684-L705 HydrophobicContact CE2-CG 3.99Å; F684-L705 HydrophobicContact CG-CD2 3.83Å; F684-L705 HydrophobicContact CZ-CD2 4.27Å; F684-L709 HydrophobicContact CE2-CD1 3.36Å; F684-L709 HydrophobicContact CZ-CD1 3.47Å; F684-L709 VanDerWaalsContact CZ-CD1 3.47Å
685	L	94	Very high	92.2	Very high	3 Å²	3	23.4 Å²	23.4	2%	0.016	13%	0.132	C	C	.	.	H	α-helix	trans	-65.6	-41.4	177	-68.8	-175.3	0	0	0	111.9	L591 L592 N595 F681 L682 L688 E689	L591-L685 HydrophobicContact CD1-CB 3.96Å; L591-L685 HydrophobicContact CD2-CB 3.8Å; L591-L685 HydrophobicContact CG-CB 3.91Å; L591-L685 HydrophobicContact CG-CD1 4.18Å; L592-L685 HydrophobicContact CD2-CD1 4.04Å; N595-L685 HydrophobicContact CB-CD1 3.86Å; N595-L685 HydrophobicContact CB-CD2 3.97Å; F681-L685 HydrophobicContact CD1-CD1 4.28Å; F681-L685 HydrophobicContact CD2-CG 4.44Å; F681-L685 HydrophobicContact CE1-CD1 3.61Å; F681-L685 HydrophobicContact CE1-CG 4.25Å; F681-L685 HydrophobicContact CE2-CD1 4.23Å; F681-L685 HydrophobicContact CE2-CD2 4.04Å; F681-L685 HydrophobicContact CE2-CG 4.05Å; F681-L685 HydrophobicContact CZ-CD1 3.61Å; F681-L685 HydrophobicContact CZ-CD2 4.09Å; F681-L685 HydrophobicContact CZ-CG 3.95Å; F681-L685 WeakPolarHBondContact O-CG 3.5Å; F681-L685 PolarHBondContact O-N 3.2Å; L682-L685 PolarHBondContact O-N 3.46Å; L685-L688 PolarHBondContact O-N 3.37Å; L685-E689 PolarHBondContact O-N 3.31Å
686	E	92	Very high	91.5	Very high	11 Å²	11	31 Å²	31	5%	0.051	17%	0.167	C	C	.	.	H	α-helix	trans	-62.8	-42.5	174.3	-76	-76.4	163.7	0	0	112	Y577 L591 L682 C683 L688 E689 K690	Y577-E686 HydrophobicContact CE2-CG 4.4Å; Y577-E686 VanDerWaalsContact OH-CD 3.3Å; Y577-E686 PolarHBondContact OH-OE2 3.3Å; L591-E686 HydrophobicContact CD2-CG 3.71Å; L591-E686 WeakPolarHBondContact CD2-OE1 3.28Å; L682-E686 WeakPolarHBondContact O-CG 3.47Å; L682-E686 PolarHBondContact O-N 2.86Å; C683-E686 PolarHBondContact O-N 3.39Å; E686-L688 VanDerWaalsContact C-N 3.29Å; E686-L688 PolarHBondContact O-N 2.85Å; E686-E689 PolarHBondContact O-N 3.21Å; E686-E689 VanDerWaalsContact O-N 3.15Å; E686-K690 PolarHBondContact O-N 3.25Å; E686-K690 WeakPolarHBondContact OE2-CE 3.35Å; E686-K690 IonicContact OE2-NZ 3.06Å; E686-K690 PolarHBondContact OE2-NZ 3.15Å
687	D	91.4	Very high	91	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-59.8	-40	176.4	-172.2	24.4	0	0	0	111.2	Y484 C683 F684 N691 Y699 Y700 M701	Y484-D687 HydrophobicContact CE1-CB 4.07Å; Y484-D687 PolarHBondContact OH-OD2 3.2Å; C683-D687 VanDerWaalsContact O-CB 3.24Å; C683-D687 WeakPolarHBondContact O-CB 3.47Å; C683-D687 PolarHBondContact O-N 2.9Å; F684-D687 PolarHBondContact O-N 3.07Å; D687-N691 WeakPolarHBondContact O-CB 3.32Å; D687-N691 PolarHBondContact O-N 2.89Å; D687-N691 PolarHBondContact OD1-ND2 3.26Å; D687-Y699 WeakPolarHBondContact OD1-CA 3.33Å; D687-Y700 PolarHBondContact OD1-N 3.09Å; D687-Y700 VanDerWaalsContact OD1-N 3.12Å; D687-Y700 PolarHBondContact OD2-N 2.84Å; D687-M701 PolarHBondContact OD2-N 2.94Å
688	L	90.7	Very high	90.6	Very high	44 Å²	44	37.6 Å²	37.6	23%	0.23	20%	0.196	C	C	.	.	H	α-helix	trans	-68	-30.6	174.6	-77.3	179.9	0	0	0	114.6	F684 L685 E686 Y699 M701 L709	F684-L688 HydrophobicContact CD2-CD1 4.23Å; F684-L688 HydrophobicContact CD2-CG 4.2Å; F684-L688 HydrophobicContact CE1-CD1 3.98Å; F684-L688 HydrophobicContact CE2-CD1 3.42Å; F684-L688 VanDerWaalsContact CE2-CD1 3.42Å; F684-L688 HydrophobicContact CE2-CD2 4.23Å; F684-L688 HydrophobicContact CE2-CG 3.68Å; F684-L688 HydrophobicContact CZ-CD1 3.28Å; F684-L688 HydrophobicContact CZ-CG 4.1Å; F684-L688 PolarHBondContact O-N 2.99Å; L685-L688 PolarHBondContact O-N 3.37Å; E686-L688 VanDerWaalsContact C-N 3.29Å; E686-L688 PolarHBondContact O-N 2.85Å; L688-Y699 HydrophobicContact CD2-CE1 4.22Å; L688-M701 HydrophobicContact CD2-CE 3.49Å; L688-M701 VanDerWaalsContact CD2-CE 3.49Å; L688-M701 HydrophobicContact CG-CE 3.91Å; L688-L709 HydrophobicContact CD1-CD1 4.34Å; L688-L709 HydrophobicContact CD2-CD1 4.28Å
689	E	89.5	Confident	90.3	Very high	99 Å²	99	37.6 Å²	37.6	46%	0.463	20%	0.195	S	C	.	.	H	α-helix	trans	-84.7	-32.2	-177.9	-168	168.8	-160.5	0	0	111.9	L591 R594 L685 E686	L591-E689 VanDerWaalsContact CD1-OE2 3.32Å; L591-E689 WeakPolarHBondContact CD1-OE2 2.89Å; R594-E689 IonicContact CZ-OE1 2.84Å; R594-E689 IonicContact NH1-OE1 2.75Å; R594-E689 PolarHBondContact NH1-OE1 3.28Å; R594-E689 IonicContact NH2-OE1 3.68Å; L685-E689 PolarHBondContact O-N 3.31Å; E686-E689 PolarHBondContact O-N 3.21Å; E686-E689 VanDerWaalsContact O-N 3.15Å
690	K	87.8	Confident	89.9	Confident	85 Å²	85	38.9 Å²	38.9	37%	0.37	20%	0.2	S	C	.	.	H	α-helix	trans	-101.8	-27.2	-172.2	-66.4	-175.7	179.2	170.9	0	115	Y577 E686	Y577-K690 PolarHBondContact OH-NZ 3.27Å; E686-K690 PolarHBondContact O-N 3.25Å; E686-K690 WeakPolarHBondContact OE2-CE 3.35Å; E686-K690 IonicContact OE2-NZ 3.06Å; E686-K690 PolarHBondContact OE2-NZ 3.15Å
691	N	89.2	Confident	89.6	Confident	7 Å²	7	38.9 Å²	38.9	4%	0.037	20%	0.2	C	C	.	.			trans	-106.8	143.4	-178.3	-58.4	-49.6	0	0	0	110.3	T17 D687 R697 Y699	T17-N691 PolarHBondContact OG1-OD1 2.84Å; D687-N691 WeakPolarHBondContact O-CB 3.32Å; D687-N691 PolarHBondContact O-N 2.89Å; D687-N691 PolarHBondContact OD1-ND2 3.26Å; N691-R697 HydrophobicContact CB-CB 4.41Å; N691-Y699 HydrophobicContact CB-CD1 4.06Å; N691-Y699 HydrophobicContact CB-CE1 4.36Å; N691-Y699 WeakPolarHBondContact O-CE1 3.37Å; N691-Y699 PolarHBondContact O-OH 2.68Å
692	D	89	Confident	89.2	Confident	98 Å²	98	40 Å²	40	52%	0.524	21%	0.208	S	C	.	.			trans	-111.9	-12.2	-177.5	59.5	5.8	0	0	0	112.9	S694 R697 Y699	D692-S694 WeakPolarHBondContact OD1-CB 3.36Å; D692-S694 PolarHBondContact OD1-N 3.01Å; D692-S694 PolarHBondContact OD1-OG 2.94Å; D692-R697 PolarHBondContact N-O 3.43Å; D692-Y699 VanDerWaalsContact C-CE2 3.44Å; D692-Y699 WeakPolarHBondContact O-CE2 3.37Å; D692-Y699 PolarHBondContact O-OH 3.47Å
693	G	85.7	Confident	88.7	Confident	5 Å²	5	48.7 Å²	48.7	5%	0.052	25%	0.246	C	C	.	.	S	Bend	trans	94.7	4.5	-176.3	0	0	0	0	0	113.4	R697 N713 A714	G693-R697 PolarHBondContact N-O 3.17Å; G693-N713 CarbonylContact O-C 3.57Å; G693-N713 WeakPolarHBondContact O-CA 2.97Å; G693-A714 PolarHBondContact O-N 3.1Å
694	S	87.3	Confident	88.3	Confident	37 Å²	37	52.4 Å²	52.4	26%	0.259	27%	0.266	S	S	.	.	S	Bend	trans	-64.9	165.5	171.1	64.1	0	0	0	0	111.7	D692 E696 R697 P698	D692-S694 WeakPolarHBondContact OD1-CB 3.36Å; D692-S694 PolarHBondContact OD1-N 3.01Å; D692-S694 PolarHBondContact OD1-OG 2.94Å; S694-E696 PolarHBondContact O-N 3.43Å; S694-R697 CarbonylContact O-C 3.36Å; S694-R697 PolarHBondContact O-N 3.23Å; S694-R697 PolarHBondContact OG-N 3.48Å; S694-R697 VanDerWaalsContact OG-N 3.07Å; S694-P698 WeakPolarHBondContact O-CA 3.43Å
695	A	82.9	Confident	87.9	Confident	78 Å²	78	52.6 Å²	52.6	65%	0.645	27%	0.267	S	S	*	.	S	Bend	trans	-62.8	-27.2	175.2	0	0	0	0	0	112.6
696	E	82	Confident	87.7	Confident	165 Å²	165	53.4 Å²	53.4	77%	0.771	27%	0.271	S	S	*	.	S	Bend	trans	-80.1	-34	176.2	-63.6	-174.9	-179.5	0	0	112.6	S694	S694-E696 PolarHBondContact O-N 3.43Å
697	R	84.2	Confident	87.5	Confident	112 Å²	112	58.3 Å²	58.3	42%	0.423	30%	0.297	S	S	.	.	S	Bend	trans	-131.7	68.1	-177.7	-58.1	-176.1	-173.7	-175.6	5.1	111.6	N691 D692 G693 S694	N691-R697 HydrophobicContact CB-CB 4.41Å; D692-R697 PolarHBondContact N-O 3.43Å; G693-R697 PolarHBondContact N-O 3.17Å; S694-R697 CarbonylContact O-C 3.36Å; S694-R697 PolarHBondContact O-N 3.23Å; S694-R697 PolarHBondContact OG-N 3.48Å; S694-R697 VanDerWaalsContact OG-N 3.07Å
698	P	87.7	Confident	87.3	Confident	28 Å²	28	61.2 Å²	61.2	18%	0.182	31%	0.312	C	S	.	.			trans	-68.9	148.1	177.2	29.7	-34.9	0	0	0	110.5	S694	S694-P698 WeakPolarHBondContact O-CA 3.43Å
699	Y	89.6	Confident	87.2	Confident	10 Å²	10	61.2 Å²	61.2	4%	0.039	31%	0.312	C	S	.	.			trans	-66.4	136	166.6	-64.5	-71	0	0	0	109.9	Q488 D687 L688 N691 D692 M701 K711 N713	Q488-Y699 PolarHBondContact NE2-O 3.05Å; D687-Y699 WeakPolarHBondContact OD1-CA 3.33Å; L688-Y699 HydrophobicContact CD2-CE1 4.22Å; N691-Y699 HydrophobicContact CB-CD1 4.06Å; N691-Y699 HydrophobicContact CB-CE1 4.36Å; N691-Y699 WeakPolarHBondContact O-CE1 3.37Å; N691-Y699 PolarHBondContact O-OH 2.68Å; D692-Y699 VanDerWaalsContact C-CE2 3.44Å; D692-Y699 WeakPolarHBondContact O-CE2 3.37Å; D692-Y699 PolarHBondContact O-OH 3.47Å; Y699-M701 HydrophobicContact CD1-CE 3.6Å; Y699-M701 HydrophobicContact CE1-CE 4.29Å; Y699-M701 HydrophobicContact CG-CE 4.05Å; Y699-K711 HydrophobicContact CD2-CB 4.34Å; Y699-K711 HydrophobicContact CE2-CB 4.03Å; Y699-K711 HydrophobicContact CE2-CD 4.32Å; Y699-K711 HydrophobicContact CE2-CG 4.44Å; Y699-N713 WeakPolarHBondContact CB-OD1 3.27Å; Y699-N713 VanDerWaalsContact CD2-OD1 3.3Å; Y699-N713 WeakPolarHBondContact CD2-OD1 3.42Å; Y699-N713 PolarHBondContact N-OD1 3.38Å; Y699-N713 PolarHBondContact O-ND2 2.94Å
700	Y	88.8	Confident	87.2	Confident	28 Å²	28	59.7 Å²	59.7	11%	0.11	32%	0.324	C	S	.	.			trans	-88	-20.3	176.7	-69.9	-92.5	0	0	0	112.9	T17 F485 S487 D687	T17-Y700 PolarHBondContact O-OH 2.81Å; F485-Y700 HydrophobicContact CD1-CD1 4.36Å; F485-Y700 AromaticContact CD1-CD2 3.97Å; F485-Y700 HydrophobicContact CD1-CD2 3.97Å; F485-Y700 HydrophobicContact CD1-CE2 4.44Å; F485-Y700 AromaticContact CD1-CG 3.93Å; F485-Y700 HydrophobicContact CD1-CG 3.93Å; F485-Y700 HydrophobicContact CE1-CD2 4.37Å; F485-Y700 VanDerWaalsContact O-CD1 3.29Å; F485-Y700 WeakPolarHBondContact O-CD1 3.22Å; F485-Y700 WeakPolarHBondContact O-CE1 3.36Å; S487-Y700 PolarHBondContact OG-O 3.01Å; S487-Y700 VanDerWaalsContact OG-O 3.04Å; D687-Y700 PolarHBondContact OD1-N 3.09Å; D687-Y700 VanDerWaalsContact OD1-N 3.12Å; D687-Y700 PolarHBondContact OD2-N 2.84Å
701	M	89.2	Confident	87.2	Confident	3 Å²	3	59.9 Å²	59.9	2%	0.015	32%	0.324	C	S	.	.	S	Bend	trans	-56.9	156	-179.5	80.1	-172.2	70.2	0	0	113.1	Y484 F684 D687 L688 Y699 L705 M706 L709	Y484-M701 VanDerWaalsContact OH-CA 3.31Å; Y484-M701 WeakPolarHBondContact OH-CA 3.29Å; Y484-M701 WeakPolarHBondContact OH-CB 3.32Å; Y484-M701 PolarHBondContact OH-N 3.2Å; F684-M701 HydrophobicContact CD2-CE 4.01Å; F684-M701 HydrophobicContact CD2-SD 4.15Å; F684-M701 HydrophobicContact CE2-CE 3.98Å; F684-M701 HydrophobicContact CE2-SD 3.93Å; D687-M701 PolarHBondContact OD2-N 2.94Å; L688-M701 HydrophobicContact CD2-CE 3.49Å; L688-M701 VanDerWaalsContact CD2-CE 3.49Å; L688-M701 HydrophobicContact CG-CE 3.91Å; Y699-M701 HydrophobicContact CD1-CE 3.6Å; Y699-M701 HydrophobicContact CE1-CE 4.29Å; Y699-M701 HydrophobicContact CG-CE 4.05Å; M701-L705 HydrophobicContact CB-CB 4.34Å; M701-L705 HydrophobicContact CB-CD2 3.88Å; M701-L705 HydrophobicContact CG-CB 4.18Å; M701-L705 HydrophobicContact CG-CD2 4.34Å; M701-L705 HydrophobicContact SD-CB 4.23Å; M701-L705 HydrophobicContact SD-CD2 4.11Å; M701-L705 HydrophobicContact SD-CG 4.11Å; M701-M706 HydrophobicContact CG-CB 4.43Å; M701-M706 HydrophobicContact CG-CG 3.39Å; M701-M706 HydrophobicContact SD-CG 3.86Å; M701-L709 HydrophobicContact SD-CD1 4.05Å
702	S	87	Confident	87.2	Confident	26 Å²	26	69.4 Å²	69.4	18%	0.182	36%	0.36	C	S	.	.			trans	-65.3	154.4	-177.9	78.4	0	0	0	0	112.5	E352 N704 L705 M706	E352-S702 WeakPolarHBondContact OE1-CB 3.43Å; E352-S702 PolarHBondContact OE1-OG 3.35Å; S702-N704 PolarHBondContact O-N 2.58Å; S702-L705 PolarHBondContact O-N 3.43Å; S702-M706 PolarHBondContact O-N 3.18Å
703	K	86.3	Confident	87.2	Confident	182 Å²	182	66.9 Å²	66.9	79%	0.791	35%	0.346	S	S	*	.	H	α-helix	trans	-54.7	-36.8	178.8	-67.4	-178	179.9	177.9	0	112.9	M706 D707	K703-M706 HydrophobicContact CB-CE 4.41Å; K703-M706 HydrophobicContact CG-CE 4Å; K703-M706 PolarHBondContact O-N 2.71Å; K703-D707 WeakPolarHBondContact O-CB 3.35Å; K703-D707 PolarHBondContact O-N 3.11Å
704	N	85.3	Confident	87	Confident	79 Å²	79	69.4 Å²	69.4	42%	0.422	37%	0.367	S	S	.	.	H	α-helix	trans	-64.7	-43.6	176.5	-170.7	-2.3	0	0	0	111.2	S702 D707 I708	S702-N704 PolarHBondContact O-N 2.58Å; N704-D707 PolarHBondContact O-N 3.43Å; N704-I708 VanDerWaalsContact O-CG1 3.29Å; N704-I708 WeakPolarHBondContact O-CG1 3.39Å; N704-I708 PolarHBondContact O-N 2.97Å; N704-I708 WeakPolarHBondContact OD1-CD1 3.22Å
705	L	86.8	Confident	86	Confident	4 Å²	4	78.9 Å²	78.9	2%	0.021	40%	0.397	C	S	.	.	H	α-helix	trans	-67.5	-39.8	178.4	-159.7	68.8	0	0	0	112	V345 A348 F684 M701 S702 I708 L709	V345-L705 HydrophobicContact CG1-CD1 4.33Å; A348-L705 HydrophobicContact CB-CD1 3.51Å; F684-L705 HydrophobicContact CB-CD2 4.4Å; F684-L705 HydrophobicContact CD2-CD2 3.24Å; F684-L705 HydrophobicContact CD2-CG 4.23Å; F684-L705 HydrophobicContact CE2-CD2 3.49Å; F684-L705 VanDerWaalsContact CE2-CD2 3.49Å; F684-L705 HydrophobicContact CE2-CG 3.99Å; F684-L705 HydrophobicContact CG-CD2 3.83Å; F684-L705 HydrophobicContact CZ-CD2 4.27Å; M701-L705 HydrophobicContact CB-CB 4.34Å; M701-L705 HydrophobicContact CB-CD2 3.88Å; M701-L705 HydrophobicContact CG-CB 4.18Å; M701-L705 HydrophobicContact CG-CD2 4.34Å; M701-L705 HydrophobicContact SD-CB 4.23Å; M701-L705 HydrophobicContact SD-CD2 4.11Å; M701-L705 HydrophobicContact SD-CG 4.11Å; S702-L705 PolarHBondContact O-N 3.43Å; L705-I708 PolarHBondContact O-N 2.93Å; L705-L709 HydrophobicContact CG-CD1 4.31Å; L705-L709 WeakPolarHBondContact O-CG 3.22Å; L705-L709 PolarHBondContact O-N 3.19Å
706	M	89.7	Confident	84.7	Confident	20 Å²	20	79.1 Å²	79.1	10%	0.099	39%	0.394	C	S	.	.	H	α-helix	trans	-57.3	-47.5	172	-79.2	-166.3	-77.2	0	0	111.6	M701 S702 K703 L709 G710 K711	M701-M706 HydrophobicContact CG-CB 4.43Å; M701-M706 HydrophobicContact CG-CG 3.39Å; M701-M706 HydrophobicContact SD-CG 3.86Å; S702-M706 PolarHBondContact O-N 3.18Å; K703-M706 HydrophobicContact CB-CE 4.41Å; K703-M706 HydrophobicContact CG-CE 4Å; K703-M706 PolarHBondContact O-N 2.71Å; M706-L709 CarbonylContact O-C 3.54Å; M706-L709 PolarHBondContact O-N 3.07Å; M706-G710 PolarHBondContact O-N 3.05Å; M706-K711 CarbonylContact C-O 3.54Å; M706-K711 WeakPolarHBondContact CB-O 3.39Å; M706-K711 PolarHBondContact O-N 2.64Å
707	D	88.3	Confident	82.9	Confident	113 Å²	113	79.8 Å²	79.8	60%	0.604	40%	0.402	S	S	*	.	H	α-helix	trans	-63.8	-45.1	-179.6	-166.8	51.5	0	0	0	112.2	K703 N704 L709 G710	K703-D707 WeakPolarHBondContact O-CB 3.35Å; K703-D707 PolarHBondContact O-N 3.11Å; N704-D707 PolarHBondContact O-N 3.43Å; D707-L709 PolarHBondContact O-N 3.09Å; D707-L709 VanDerWaalsContact O-N 3.13Å; D707-G710 PolarHBondContact O-N 2.97Å; D707-G710 VanDerWaalsContact O-N 3.08Å
708	I	87.3	Confident	80.9	Confident	62 Å²	62	77.6 Å²	77.6	32%	0.318	41%	0.414	S	S	.	.	H	α-helix	trans	-57.6	-30.5	176.1	-70.4	167.2	0	0	0	112.2	V345 A348 N704 L705	V345-I708 HydrophobicContact CG2-CG2 3.87Å; A348-I708 HydrophobicContact CB-CD1 3.78Å; N704-I708 VanDerWaalsContact O-CG1 3.29Å; N704-I708 WeakPolarHBondContact O-CG1 3.39Å; N704-I708 PolarHBondContact O-N 2.97Å; N704-I708 WeakPolarHBondContact OD1-CD1 3.22Å; L705-I708 PolarHBondContact O-N 2.93Å
709	L	88.2	Confident	78.5	Confident	44 Å²	44	80.8 Å²	80.8	23%	0.23	44%	0.437	C	S	.	.	H	α-helix	trans	-98.4	-4	-178.4	-64.6	169.2	0	0	0	113.8	V345 F684 L688 M701 L705 M706 D707 K711	V345-L709 HydrophobicContact CG2-CD2 4.44Å; F684-L709 HydrophobicContact CE2-CD1 3.36Å; F684-L709 HydrophobicContact CZ-CD1 3.47Å; F684-L709 VanDerWaalsContact CZ-CD1 3.47Å; L688-L709 HydrophobicContact CD1-CD1 4.34Å; L688-L709 HydrophobicContact CD2-CD1 4.28Å; M701-L709 HydrophobicContact SD-CD1 4.05Å; L705-L709 HydrophobicContact CG-CD1 4.31Å; L705-L709 WeakPolarHBondContact O-CG 3.22Å; L705-L709 PolarHBondContact O-N 3.19Å; M706-L709 CarbonylContact O-C 3.54Å; M706-L709 PolarHBondContact O-N 3.07Å; D707-L709 PolarHBondContact O-N 3.09Å; D707-L709 VanDerWaalsContact O-N 3.13Å; L709-K711 VanDerWaalsContact C-N 3.34Å; L709-K711 HydrophobicContact CB-CG 4.13Å
710	G	88.5	Confident	75.7	Confident	68 Å²	68	87.5 Å²	87.5	70%	0.701	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.8	33.7	-174.9	0	0	0	0	0	113.6	M706 D707	M706-G710 PolarHBondContact O-N 3.05Å; D707-G710 PolarHBondContact O-N 2.97Å; D707-G710 VanDerWaalsContact O-N 3.08Å
711	K	89.2	Confident	73.3	Confident	89 Å²	89	94 Å²	94	39%	0.387	51%	0.509	S	S	.	.			trans	-107.4	152.7	176.9	-62.5	-64	-172.4	168.7	0	110.4	Y699 M706 L709	Y699-K711 HydrophobicContact CD2-CB 4.34Å; Y699-K711 HydrophobicContact CE2-CB 4.03Å; Y699-K711 HydrophobicContact CE2-CD 4.32Å; Y699-K711 HydrophobicContact CE2-CG 4.44Å; M706-K711 CarbonylContact C-O 3.54Å; M706-K711 WeakPolarHBondContact CB-O 3.39Å; M706-K711 PolarHBondContact O-N 2.64Å; L709-K711 VanDerWaalsContact C-N 3.34Å; L709-K711 HydrophobicContact CB-CG 4.13Å
712	R	88.1	Confident	70.7	Confident	207 Å²	207	98.1 Å²	98.1	78%	0.781	54%	0.543	S	S	*	.			trans	-149	150.1	174.8	-69.7	-172.6	179.6	168.9	0.6	110.8
713	N	88.3	Confident	68.4	Low	44 Å²	44	104.9 Å²	104.9	24%	0.235	58%	0.576	C	S	.	*	P	Polyproline II helix	trans	-84.6	139.6	168.1	-68.4	-18.7	0	0	0	110.2	G693 Y699 R715	G693-N713 CarbonylContact O-C 3.57Å; G693-N713 WeakPolarHBondContact O-CA 2.97Å; Y699-N713 WeakPolarHBondContact CB-OD1 3.27Å; Y699-N713 VanDerWaalsContact CD2-OD1 3.3Å; Y699-N713 WeakPolarHBondContact CD2-OD1 3.42Å; Y699-N713 PolarHBondContact N-OD1 3.38Å; Y699-N713 PolarHBondContact O-ND2 2.94Å; N713-R715 PolarHBondContact O-N 3.06Å
714	A	82.3	Confident	65.9	Low	59 Å²	59	105.2 Å²	105.2	49%	0.488	58%	0.58	S	S	.	*	P	Polyproline II helix	trans	-60.5	133.8	169.9	0	0	0	0	0	109.3	G693 S716	G693-A714 PolarHBondContact O-N 3.1Å; A714-S716 PolarHBondContact O-N 3.06Å
715	R	67.2	Low	63.7	Low	235 Å²	235	114.2 Å²	114.2	89%	0.887	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-63.8	124.5	173.8	-78	-178.3	175.5	178.4	-1.7	107.9	N713 L717	N713-R715 PolarHBondContact O-N 3.06Å; R715-L717 PolarHBondContact O-N 2.97Å
716	S	55.3	Low	62.5	Low	84 Å²	84	119.7 Å²	119.7	59%	0.587	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-56.3	122.3	171.9	56.6	0	0	0	0	108.9	A714 G718	A714-S716 PolarHBondContact O-N 3.06Å; S716-G718 PolarHBondContact O-N 3.49Å
717	L	43.2	Very low	61.1	Low	178 Å²	178	124.9 Å²	124.9	93%	0.932	68%	0.678	S	S	*	*	S	Bend	trans	-71.3	32.4	-174.9	-132.8	107.1	0	0	0	113.9	R715	R715-L717 PolarHBondContact O-N 2.97Å
718	G	42.4	Very low	59.6	Low	67 Å²	67	125.6 Å²	125.6	69%	0.691	68%	0.682	S	S	*	*			trans	-133.6	20	-165.1	0	0	0	0	0	116.8	S716	S716-G718 PolarHBondContact O-N 3.49Å
719	S	37	Very low	57.9	Low	95 Å²	95	129.4 Å²	129.4	66%	0.664	70%	0.703	S	S	*	*	S	Bend	trans	-124.7	8	176.1	58.7	0	0	0	0	116
720	N	31.2	Very low	56	Low	150 Å²	150	134.7 Å²	134.7	80%	0.802	73%	0.733	S	S	*	*	S	Bend	trans	-123.6	30.7	-177.3	-77	-4.5	0	0	0	114.7
721	I	37.7	Very low	53.9	Low	165 Å²	165	139.1 Å²	139.1	85%	0.846	74%	0.735	S	S	*	*	S	Bend	trans	-113.8	40.4	170.6	-49.6	176.9	0	0	0	110.3
722	A	35.4	Very low	51.4	Low	90 Å²	90	142.7 Å²	142.7	74%	0.744	76%	0.76	S	S	*	*	S	Bend	trans	-142.5	35.4	178.7	0	0	0	0	0	113.4
723	I	39.1	Very low	48.5	Very low	168 Å²	168	137.8 Å²	137.8	86%	0.862	76%	0.758	S	S	*	*	S	Bend	trans	-152	74.6	159.9	-48.8	179	0	0	0	107.9
724	E	32.5	Very low	45.2	Very low	189 Å²	189	145.6 Å²	145.6	88%	0.883	80%	0.802	S	S	*	*			trans	-173.6	82.9	154.6	-111.9	177.3	-177.5	0	0	107.4
725	H	39.4	Very low	41.9	Very low	267 Å²	267	153.5 Å²	153.5	100%	1.236	83%	0.83	S	S	*	*			trans	-164.5	0	149	-106.6	-60.5	0	0	0	110.2

Retrieved 725 of 725 residues in 337.6 ms (Link to these results)

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